# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 75.50 11.60 19.61 31.23 121.48 -157.73 -108.06 132.95 98.79 1.18 0.03 98.85 0.17 0.05 0.02 0.00 0.00 0.86 0.06 1 I E E 40.63 17.69 14.72 32.12 120.00 -162.13 -109.41 129.24 43.58 52.73 3.69 41.61 0.99 0.92 2.92 0.72 0.00 50.85 1.99 2 E E E 91.22 8.47 20.53 29.55 118.09 -156.35 -104.51 129.66 27.07 68.05 4.88 22.51 2.75 1.57 3.14 1.53 0.01 67.20 1.29 3 I E E 39.07 18.52 15.79 33.89 117.26 -160.10 -104.09 127.73 24.47 68.98 6.55 19.77 2.91 1.85 4.07 2.18 0.02 68.03 1.17 4 F E E 57.11 14.49 17.81 32.55 117.52 -155.62 -101.52 132.06 30.67 61.57 7.77 23.53 4.63 2.90 4.75 2.78 0.04 59.92 1.45 5 K E E 101.32 10.45 18.09 28.74 117.01 -154.35 -100.81 133.20 44.90 46.97 8.14 30.46 9.45 5.44 4.86 3.04 0.06 45.05 1.65 6 D C C 65.53 11.64 15.47 27.41 112.55 -149.08 -93.90 119.54 66.11 25.79 8.10 45.05 12.89 7.44 5.16 2.82 0.03 24.90 1.71 7 T C C 66.95 10.27 15.58 26.39 103.72 -171.84 -93.31 8.21 70.85 13.06 16.09 40.17 16.11 14.50 11.84 4.39 0.05 11.19 1.75 8 G C C 38.96 7.67 17.24 25.36 106.81 -95.04 -30.11 -28.92 65.61 8.17 26.22 27.84 19.91 18.96 19.65 6.02 0.13 5.92 1.57 9 A C C 51.50 9.64 16.14 26.40 104.93 60.53 -82.05 14.60 54.68 10.09 35.23 29.11 14.21 12.69 27.40 6.86 0.13 7.93 1.67 10 T C H 49.91 13.71 15.83 29.36 106.64 85.47 -87.74 61.07 43.02 16.47 40.51 26.56 9.14 8.69 32.44 6.84 0.15 14.22 1.95 11 H H H 82.33 12.08 17.03 29.07 104.79 80.85 -84.65 -5.45 34.69 21.16 44.15 20.79 7.25 7.87 35.35 7.26 0.20 19.39 1.89 12 D H H 74.04 9.18 18.92 28.30 104.71 76.59 -87.43 40.16 33.49 23.91 42.59 19.99 6.21 7.52 34.75 6.65 0.14 23.19 1.55 13 L H H 52.03 14.95 17.17 31.74 108.13 121.65 -87.58 78.33 26.97 32.80 40.23 15.70 5.00 6.31 33.90 5.63 0.16 31.60 1.71 14 V E E 41.55 15.39 17.58 32.74 112.26 93.19 -96.91 118.57 24.36 41.40 34.24 14.54 4.32 5.18 30.98 4.13 0.13 38.72 2.01 15 Y E E 88.37 12.08 18.42 30.65 111.18 -161.51 -95.84 115.56 28.72 41.89 29.38 17.37 4.99 6.02 26.58 3.86 0.13 39.00 2.06 16 H C E 77.50 12.39 16.77 29.24 108.84 111.97 -96.24 73.96 37.24 35.50 27.26 22.35 6.84 7.81 23.44 4.22 0.15 33.23 1.97 17 S C C 47.40 11.16 15.64 27.26 112.48 142.78 -95.36 127.58 49.00 26.94 24.06 25.65 10.32 12.89 18.88 5.13 0.18 25.16 1.79 18 K C C 117.36 7.15 16.99 24.84 105.60 -146.06 -86.54 38.51 53.44 25.40 21.16 25.50 12.59 15.87 15.69 5.33 0.25 22.59 2.17 19 I C C 62.58 13.22 13.46 26.91 110.16 126.24 -95.33 101.48 58.86 25.09 16.05 30.60 14.18 14.78 11.88 4.36 0.22 21.25 2.73 20 N C C 88.85 7.74 17.12 25.50 107.15 -147.04 -90.49 80.92 72.18 18.79 9.03 37.15 16.65 18.64 5.51 3.34 0.04 16.90 1.78 21 T C C 57.95 10.98 15.71 27.24 114.48 150.78 -105.37 124.12 68.13 22.78 9.09 31.50 20.03 17.62 4.70 3.97 0.07 20.00 2.10 22 F C E 82.75 12.10 16.61 29.02 114.01 -142.78 -96.03 123.40 55.63 35.14 9.23 27.74 16.71 12.84 5.04 3.94 0.14 31.06 2.52 23 V C E 55.71 12.61 17.80 30.63 111.62 -163.80 -99.47 112.09 44.97 43.98 11.05 23.39 13.41 10.38 6.13 4.44 0.17 39.94 2.14 24 W E E 69.96 15.33 17.75 32.83 116.42 -169.01 -108.27 133.93 41.28 49.79 8.92 20.02 12.45 11.08 4.15 4.11 0.11 46.49 1.58 25 D E E 59.48 10.66 22.31 32.87 114.20 -139.47 -101.30 120.63 36.16 56.31 7.53 21.15 8.82 8.00 3.25 3.56 0.05 54.11 1.06 26 V E E 11.80 22.92 16.60 39.41 123.73 -169.16 -116.21 135.00 23.27 73.95 2.78 18.54 3.55 1.58 1.42 1.18 0.00 72.93 0.80 27 E E E 63.62 11.44 25.34 36.88 121.69 -164.88 -113.41 131.74 15.21 82.98 1.81 12.23 2.19 0.99 0.89 0.70 0.00 82.47 0.52 28 F E E 13.95 23.49 18.58 41.82 128.36 -171.63 -127.39 143.14 9.94 88.87 1.19 7.96 1.42 0.61 0.57 0.45 0.00 88.65 0.34 29 D E E 37.94 12.95 25.98 39.09 121.69 -162.08 -116.90 130.85 8.47 90.66 0.88 6.68 1.20 0.50 0.39 0.33 0.00 90.69 0.21 30 I E E 7.54 24.23 20.19 44.53 120.96 -161.49 -114.43 129.42 6.49 92.59 0.92 5.51 0.66 0.30 0.50 0.29 0.00 92.46 0.30 31 V E E 34.45 13.07 25.82 39.23 118.87 -164.83 -111.84 126.57 9.89 88.78 1.33 8.24 1.16 0.60 0.72 0.51 0.00 88.23 0.53 32 L E E 15.44 21.65 17.76 39.18 118.21 -156.58 -102.07 131.59 31.06 66.44 2.50 25.02 4.28 2.13 1.03 1.31 0.00 65.14 1.10 33 S C C 38.56 11.00 19.14 30.67 117.15 -149.04 -94.95 154.62 69.91 27.32 2.77 33.42 22.52 14.95 0.58 1.95 0.01 25.27 1.30 34 D C S 86.29 7.42 17.78 25.78 104.10 -105.85 -81.27 63.43 86.00 9.47 4.53 29.94 35.70 21.48 1.24 2.93 0.02 7.07 1.62 35 S C C 47.33 10.95 13.18 24.80 108.00 147.36 -88.60 90.40 78.36 5.03 16.61 44.38 23.50 11.34 9.66 6.40 0.03 2.75 1.92 36 K C T 133.46 4.31 16.41 21.59 97.48 84.71 -72.47 -23.72 57.23 2.32 40.45 13.35 15.92 28.72 23.82 15.61 0.21 1.36 1.00 37 E C T 89.12 9.52 17.04 26.89 99.76 59.99 -79.52 -17.88 52.11 5.09 42.80 15.24 12.01 25.69 24.93 16.76 0.30 3.45 1.62 38 L C H 34.94 19.23 13.53 31.46 98.94 71.93 -76.40 -16.71 46.23 7.93 45.85 19.81 10.30 17.65 24.85 19.64 0.24 5.37 2.15 39 N C T 81.71 9.33 19.83 29.18 99.24 72.85 -77.76 -12.89 55.31 9.02 35.67 20.69 12.22 23.32 20.82 14.13 0.23 6.68 1.91 40 K C T 93.28 9.92 21.59 31.28 109.83 61.65 -99.22 65.82 51.46 24.21 24.33 19.52 13.89 20.62 11.91 10.88 0.51 20.19 2.48 41 C E E 16.15 21.19 17.89 38.40 119.59 129.09 -101.69 137.82 37.14 54.45 8.41 26.32 7.73 4.63 5.12 3.37 0.08 50.48 2.27 42 Y E E 49.80 16.76 24.13 40.01 117.58 -167.65 -110.50 135.30 22.53 72.24 5.22 14.64 6.20 3.15 3.22 1.85 0.05 69.68 1.21 43 F E E 28.90 20.18 23.37 42.35 120.54 -151.74 -108.43 133.47 11.83 83.95 4.22 8.22 2.37 1.63 2.64 1.32 0.02 83.15 0.66 44 V E E 13.73 22.03 22.07 43.27 119.30 -161.71 -110.57 130.89 10.26 84.83 4.91 7.50 1.62 1.23 3.04 1.47 0.02 84.59 0.52 45 K E E 60.73 15.51 24.38 38.85 114.86 -165.15 -103.84 127.93 14.60 80.25 5.14 9.31 3.48 2.71 2.39 2.02 0.04 79.47 0.58 46 C E E 25.08 17.97 22.19 39.33 116.44 -154.03 -107.54 130.17 23.01 72.29 4.69 15.44 5.63 3.79 1.96 2.22 0.05 69.87 1.04 47 F E E 37.70 18.41 21.08 38.77 116.30 -161.93 -105.40 129.14 37.45 60.18 2.37 25.85 10.70 3.29 1.14 1.38 0.08 54.35 3.21 48 N C C 35.36 14.46 20.18 35.02 110.76 -158.69 -110.57 105.53 76.75 22.45 0.80 58.01 16.26 2.15 0.27 0.56 0.00 20.89 1.85 49 P C C 41.74 14.93 17.79 32.93 97.56 -164.21 -68.47 -17.27 79.46 10.52 10.02 34.87 19.62 26.18 3.74 5.59 0.02 8.29 1.68 50 Y C T 106.01 10.03 17.89 28.10 101.87 57.74 -87.45 2.12 72.18 12.80 15.03 24.60 20.35 29.26 6.12 7.66 0.14 8.78 3.09 51 R C C 122.78 8.79 17.13 26.21 103.03 -79.97 -75.38 53.40 68.70 16.31 14.99 36.33 16.69 17.40 6.20 8.17 0.07 11.50 3.65 52 I C C 56.56 14.71 12.80 27.36 109.70 139.57 -93.17 107.80 65.80 19.89 14.31 37.61 14.63 14.81 7.32 6.69 0.10 13.76 5.09 53 N C T 102.39 5.34 16.68 22.98 104.98 -147.09 -81.64 56.84 75.51 12.42 12.07 29.01 18.84 29.32 5.77 5.74 0.06 8.59 2.68 54 G C T 40.96 8.52 15.79 24.77 104.73 -37.52 79.35 3.47 77.33 11.68 10.99 23.58 25.60 29.90 4.46 5.72 0.08 8.50 2.16 55 K C C 109.37 7.64 17.82 26.23 112.50 108.19 -96.11 123.34 68.65 20.45 10.90 38.01 18.04 13.61 5.82 5.16 0.08 15.02 4.27 56 C C C 31.22 18.23 14.05 31.44 115.36 -156.30 -96.17 132.29 63.00 23.15 13.85 42.60 12.56 7.71 9.71 4.68 0.06 19.04 3.64 57 D C C 72.69 9.60 20.72 30.29 104.82 -155.78 -92.83 18.43 54.88 25.35 19.77 32.02 14.15 9.13 14.39 5.38 0.10 22.64 2.20 58 F E E 63.97 15.28 18.09 32.83 110.55 105.98 -97.50 81.11 36.70 37.83 25.47 20.15 9.63 8.81 18.82 6.18 0.30 33.42 2.70 59 A E E 38.20 12.77 20.63 33.28 109.73 -142.48 -91.23 120.44 29.87 43.37 26.76 18.16 6.43 6.21 21.38 5.52 0.16 39.98 2.17 60 V E E 31.49 19.50 17.24 35.50 110.81 -152.60 -97.81 106.71 25.57 44.55 29.88 16.33 5.27 5.22 23.55 6.37 0.13 41.27 1.86 61 S E E 52.61 10.66 21.27 31.51 103.54 156.87 -89.88 -12.02 30.89 42.43 26.68 16.06 7.67 8.47 19.91 6.63 0.19 39.53 1.55 62 S E E 43.96 12.58 20.56 32.66 110.94 51.03 -100.42 95.25 31.92 44.06 24.02 16.44 7.74 9.44 17.17 6.59 0.23 40.79 1.60 63 I E E 34.20 19.59 16.94 35.51 114.56 123.04 -100.29 123.09 29.26 51.18 19.56 18.39 6.69 5.05 16.38 3.91 0.14 47.57 1.87 64 D E E 64.45 10.52 22.86 33.10 110.41 -156.52 -95.46 112.71 30.45 54.96 14.59 21.56 4.58 3.99 12.16 3.10 0.04 53.04 1.54 65 I E E 33.57 18.85 18.03 35.99 111.06 -172.04 -97.71 105.61 29.71 53.73 16.56 18.55 6.01 5.88 13.67 3.76 0.13 50.03 1.96 66 F E E 59.49 14.60 17.99 32.42 113.47 125.64 -99.61 128.32 38.49 46.34 15.17 22.59 8.92 8.48 11.28 4.13 0.24 41.91 2.46 67 S C C 50.97 10.32 16.93 27.72 111.00 -165.15 -95.55 113.87 56.96 29.07 13.96 31.59 14.12 11.98 9.57 4.25 0.13 26.14 2.23 68 E C T 113.71 7.05 16.85 24.60 103.26 -79.15 -84.37 33.41 69.38 14.05 16.58 18.25 17.33 34.40 11.18 5.09 0.21 11.54 1.99 69 G C T 35.81 10.08 15.87 26.18 107.04 3.14 82.46 2.90 70.70 13.01 16.28 21.09 20.74 30.07 10.48 5.19 0.17 10.48 1.78 70 K C C 99.68 9.96 16.55 26.88 114.32 132.55 -95.13 131.60 51.60 26.86 21.54 32.27 11.38 8.37 15.92 5.72 0.13 23.87 2.34 71 R E E 111.96 10.62 18.21 28.86 114.34 -144.41 -95.22 127.15 31.97 42.64 25.38 21.26 5.57 5.54 20.24 5.98 0.12 38.83 2.46 72 L E E 44.87 16.21 16.67 32.49 111.65 -152.35 -94.08 125.18 27.20 45.71 27.09 17.26 5.29 5.63 21.40 6.38 0.13 41.92 1.99 73 L E E 48.98 14.69 16.25 30.96 115.09 -148.17 -96.50 127.89 28.86 45.31 25.84 18.06 5.91 6.35 20.05 6.45 0.19 40.81 2.18 74 I C E 74.11 10.02 16.38 27.17 115.93 -162.94 -100.81 134.21 39.24 37.16 23.60 24.52 8.02 7.65 17.95 6.02 0.19 33.34 2.33 75 E C C 109.24 7.66 16.00 24.45 105.95 -126.77 -82.67 70.45 53.55 23.81 22.64 22.80 14.35 17.33 15.89 6.26 0.26 21.12 2.00 76 N C C 87.54 8.41 15.36 24.46 105.21 72.43 -88.68 56.16 63.26 18.41 18.33 25.13 17.75 21.52 10.63 6.77 0.13 16.40 1.66 77 E C C 93.64 9.37 17.23 26.97 107.21 123.26 -93.16 55.89 54.94 29.03 16.03 28.59 12.92 14.57 8.59 6.78 0.13 26.36 2.06 78 F C E 42.15 18.68 13.84 31.83 117.75 128.59 -105.68 131.56 48.36 40.03 11.61 26.49 12.30 11.47 6.28 5.10 0.15 35.83 2.39 79 N E E 79.57 7.59 22.69 30.46 110.61 -160.43 -101.16 108.28 45.80 47.34 6.86 28.21 10.85 7.80 3.25 3.25 0.03 45.19 1.42 80 F E E 24.22 22.47 14.59 36.44 127.30 149.09 -121.15 144.46 31.08 64.06 4.86 22.55 6.49 2.93 2.91 1.87 0.01 61.96 1.27 81 K E E 93.92 7.81 25.04 33.29 120.76 -154.03 -112.68 130.85 18.51 77.13 4.36 14.16 2.96 1.66 2.98 1.23 0.00 76.21 0.81 82 I E E 24.36 22.23 15.66 37.53 112.94 -137.00 -91.02 122.69 13.69 81.23 5.08 11.20 1.57 0.95 4.27 0.95 0.00 80.37 0.69 83 T E E 55.52 9.20 22.41 31.94 103.15 176.28 -98.17 -30.38 16.37 77.49 6.13 12.12 2.78 1.55 4.68 1.28 0.00 77.07 0.53 84 K E E 79.78 10.66 22.78 33.42 135.30 0.93 -144.74 147.50 19.45 74.62 5.93 12.26 5.09 2.63 3.86 1.59 0.01 74.05 0.52 85 A E E 24.46 19.20 19.19 37.45 120.49 -147.56 -107.41 133.04 21.29 72.04 6.67 15.55 3.80 2.06 4.50 1.75 0.01 71.75 0.59 86 V E E 29.16 16.91 21.53 38.25 121.14 -164.67 -115.60 129.67 18.46 76.61 4.92 14.50 2.69 1.51 3.51 1.38 0.00 75.63 0.78 87 H E E 58.18 16.26 22.49 37.80 121.10 -159.40 -110.38 132.05 19.98 76.18 3.84 15.49 3.09 1.66 2.53 1.28 0.00 75.11 0.82 88 V E E 37.84 16.58 21.55 37.57 118.64 -165.31 -108.94 129.54 30.83 64.05 5.13 24.40 4.44 2.12 3.56 1.81 0.01 62.22 1.44 89 A C C 18.07 18.93 17.93 36.34 123.24 -147.34 -107.77 143.20 55.54 40.16 4.30 43.11 8.77 2.80 2.86 1.64 0.01 38.68 2.14 90 T C C 49.55 9.62 20.65 30.67 120.33 -134.45 -95.92 157.41 75.22 19.59 5.20 55.95 15.31 3.44 3.82 1.76 0.01 17.22 2.49 91 S C H 55.64 10.96 15.70 26.94 96.89 -110.49 -67.14 -31.10 48.00 5.68 46.32 24.53 16.14 9.74 38.77 5.53 0.15 3.62 1.51 92 K H H 136.67 2.80 18.92 21.73 94.88 58.16 -69.32 -33.93 35.04 3.04 61.93 14.06 9.56 13.68 53.17 6.42 0.23 2.01 0.86 93 D H H 52.71 11.08 18.17 29.54 97.26 49.63 -77.97 -29.45 29.91 3.31 66.77 19.07 4.91 8.17 58.22 6.49 0.07 2.21 0.85 94 V H H 15.27 22.02 14.77 36.04 93.22 70.32 -64.45 -41.50 9.85 1.34 88.81 7.54 1.85 2.19 84.78 2.42 0.02 0.92 0.28 95 T H H 64.01 7.67 21.03 29.09 92.33 53.11 -64.25 -41.15 4.94 1.06 94.00 3.28 1.00 1.63 91.29 1.73 0.03 0.84 0.20 96 E H H 99.44 3.66 23.38 26.56 92.08 49.92 -65.37 -41.10 3.54 1.00 95.46 1.86 0.74 1.61 92.76 1.95 0.05 0.88 0.15 97 I H H 13.40 19.77 18.76 38.44 92.36 49.33 -64.38 -43.42 3.11 0.92 95.97 1.53 0.60 1.50 93.54 1.82 0.06 0.81 0.14 98 V H H 20.99 19.44 19.02 37.87 92.02 50.29 -63.54 -42.38 3.60 0.81 95.59 1.67 0.58 1.83 93.40 1.61 0.07 0.68 0.16 99 L H H 87.75 3.59 22.94 26.12 91.57 50.49 -64.04 -40.92 5.95 0.85 93.20 2.49 0.81 3.30 90.65 1.77 0.09 0.68 0.22 100 H H H 74.96 7.21 21.02 28.94 92.37 49.55 -65.74 -40.80 10.14 0.90 88.96 3.57 1.32 6.03 85.98 2.02 0.14 0.64 0.32 101 L H H 12.36 21.20 15.54 36.56 92.62 50.48 -66.71 -39.92 12.92 0.90 86.19 4.99 1.95 6.98 82.58 2.38 0.17 0.52 0.43 102 S H H 40.56 12.62 16.56 29.43 92.57 55.84 -65.69 -33.25 19.97 1.36 78.67 7.85 2.87 10.15 73.59 3.99 0.17 0.78 0.61 103 E H H 131.57 2.13 19.07 20.76 93.62 54.11 -71.01 -28.65 34.14 1.31 64.55 8.03 4.37 21.84 58.77 5.49 0.17 0.81 0.53 104 R H H 109.87 8.96 16.50 25.90 97.99 49.78 -83.78 -18.63 42.61 2.27 55.12 12.96 5.88 24.35 49.40 5.00 0.14 1.45 0.82 105 I C H 42.68 17.69 10.76 27.32 107.41 66.11 -91.97 41.21 56.45 8.05 35.49 31.80 10.48 14.73 31.85 3.55 0.13 4.55 2.90 106 S C C 82.24 3.20 16.55 20.63 102.41 74.08 -88.42 6.10 75.49 7.23 17.28 42.14 14.28 18.37 15.39 3.08 0.03 4.51 2.20 107 S C S 58.48 7.21 13.86 22.42 117.53 77.48 -105.96 125.45 91.56 6.42 2.02 42.79 43.84 5.56 1.03 0.92 0.00 4.42 1.44 108 P C C 80.45 7.96 15.14 24.08 107.96 -128.91 -72.08 134.60 92.61 5.68 1.72 56.30 29.63 7.00 0.74 0.90 0.00 4.33 1.10 109 F C C 73.47 13.83 13.31 27.36 119.28 -142.87 -101.58 133.63 82.72 14.23 3.04 55.82 24.26 2.96 2.07 1.19 0.01 10.52 3.17 110 P C C 64.33 9.06 18.63 28.29 110.73 -113.46 -70.71 140.86 77.64 16.09 6.27 64.51 8.29 3.82 4.48 2.07 0.00 14.79 2.04 111 I C C 59.84 15.25 15.54 30.52 114.89 -150.49 -98.71 129.85 51.07 36.00 12.93 40.97 5.73 3.47 10.23 3.61 0.06 31.89 4.03 112 V C E 48.00 14.04 15.45 29.87 115.76 -150.81 -97.83 132.19 43.01 38.81 18.18 35.04 4.25 3.04 14.01 4.47 0.06 37.10 2.03 113 K E E 108.57 9.26 17.75 27.45 111.30 -159.36 -98.81 112.79 39.61 40.12 20.28 29.10 5.98 4.29 14.79 5.31 0.08 39.01 1.43 114 E E E 88.77 9.89 18.69 28.87 120.18 -112.09 -107.21 136.36 35.24 45.57 19.19 26.64 4.53 3.89 13.76 5.07 0.07 44.76 1.29 115 V E E 43.58 16.10 15.36 31.43 118.09 -151.81 -104.55 129.70 33.89 50.94 15.17 26.82 3.68 2.94 11.75 3.64 0.06 49.73 1.38 116 V E E 49.09 12.05 17.05 30.11 119.60 -162.70 -109.24 132.56 33.61 55.86 10.53 26.41 3.82 3.08 8.26 2.81 0.05 53.91 1.66 117 Y E E 103.67 10.38 15.82 27.06 118.43 -152.62 -101.87 130.84 37.91 54.92 7.17 30.08 4.06 3.51 5.20 2.33 0.04 52.35 2.43 118 L C C 68.22 11.25 11.42 23.65 115.60 -153.29 -99.26 128.88 61.82 35.96 2.22 56.97 1.47 2.02 1.42 0.66 0.00 34.91 2.56 119 D C C 98.90 4.49 15.37 21.20 112.64 -139.68 -90.83 125.07 99.48 0.49 0.03 99.26 0.20 0.10 0.01 0.00 0.00 0.38 0.03