# 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 115.12 5.39 11.60 18.59 118.14 -163.62 -100.16 133.96 99.72 0.25 0.03 99.62 0.14 0.05 0.02 0.00 0.00 0.14 0.03 1 T C C 93.12 3.80 9.97 15.65 116.90 -150.91 -97.32 137.26 85.09 8.20 6.71 81.56 1.43 2.52 5.16 1.22 0.00 5.65 2.46 2 V C C 92.47 5.69 8.45 15.82 116.27 -149.24 -100.89 132.80 73.01 14.33 12.67 55.92 11.92 4.40 10.45 3.13 0.02 10.16 4.00 3 K C C 136.72 3.27 11.17 16.01 114.63 -139.46 -91.10 135.91 70.04 15.34 14.62 54.97 9.27 4.57 11.43 4.13 0.02 12.17 3.44 4 R C C 143.50 5.86 10.10 17.47 108.60 -128.50 -81.15 120.43 63.44 14.19 22.37 45.90 9.71 6.95 15.87 7.20 0.05 10.63 3.69 5 R C C 145.96 4.43 12.21 18.07 109.91 -138.36 -88.01 120.91 63.59 11.81 24.59 37.39 13.45 13.02 15.35 9.11 0.14 8.17 3.36 6 N C C 82.13 7.62 10.78 19.66 106.59 54.28 -95.74 74.90 70.65 8.67 20.68 37.86 15.28 18.27 10.91 9.11 0.10 5.15 3.32 7 H C C 121.91 5.16 13.14 19.54 101.30 -151.90 -88.40 18.90 80.65 5.10 14.25 32.05 19.71 30.16 6.13 7.02 0.04 2.65 2.24 8 G C T 39.88 7.36 11.70 20.07 104.25 -104.13 73.38 4.85 85.15 4.10 10.75 28.14 26.62 31.56 2.89 6.92 0.02 2.16 1.69 9 R C C 145.82 4.17 13.37 18.77 107.46 111.72 -90.51 38.74 75.48 11.62 12.90 39.99 22.60 13.32 4.77 7.55 0.08 5.46 6.23 10 N C C 75.70 7.06 10.13 18.77 110.45 69.36 -93.74 108.18 78.66 9.64 11.70 53.72 13.76 10.66 4.17 7.68 0.01 5.34 4.65 11 K C C 142.37 3.85 11.68 17.09 97.84 -145.65 -74.32 -16.64 72.49 6.63 20.88 30.63 18.02 25.41 4.73 14.76 0.06 3.38 3.01 12 K C T 149.62 1.98 12.28 14.98 100.24 62.66 -87.54 6.77 75.49 4.39 20.12 15.72 20.72 39.79 3.52 15.67 0.05 2.51 2.02 13 N C T 98.01 5.16 11.29 17.88 108.70 32.24 -89.94 43.57 79.90 3.85 16.25 23.95 23.53 33.23 2.37 13.20 0.01 1.99 1.72 14 R C C 146.87 4.57 12.54 18.50 103.97 65.75 -88.03 52.86 82.10 7.75 10.14 36.12 21.87 24.91 1.90 7.84 0.02 3.76 3.58 15 G C C 37.91 7.86 13.56 22.29 111.67 -75.91 80.10 -13.83 84.95 9.35 5.70 34.64 26.64 24.42 0.83 4.97 0.01 5.66 2.83 16 H C C 100.45 8.69 14.43 23.86 110.30 -5.79 -90.79 109.40 76.57 18.87 4.56 45.32 20.46 10.54 1.12 3.73 0.02 10.64 8.19 17 V C C 68.78 10.84 14.68 26.00 109.36 75.38 -95.17 94.45 77.28 20.18 2.53 54.21 17.15 4.94 0.76 1.97 0.01 13.34 7.63 18 C C C 74.35 7.09 18.49 26.07 108.63 56.27 -95.40 69.57 84.33 14.74 0.93 60.71 19.97 3.62 0.17 0.92 0.00 12.56 2.05 19 G C C 22.19 13.18 18.03 31.06 123.25 -106.92 -84.35 165.96 77.11 22.45 0.44 64.13 10.65 1.47 0.07 0.45 0.00 21.55 1.68 20 I E E 30.48 17.78 17.20 35.25 122.86 -117.03 -112.60 137.94 24.80 75.10 0.10 21.89 2.48 0.18 0.03 0.08 0.00 72.33 3.00 21 R E E 108.65 8.42 21.88 30.80 120.03 -146.66 -106.29 132.45 5.32 94.63 0.04 4.98 0.21 0.01 0.05 0.01 0.00 70.27 24.46 22 C C C 12.74 19.24 12.25 32.29 109.74 -115.40 -71.14 128.27 72.83 27.09 0.09 73.18 0.80 0.11 0.02 0.05 0.00 23.57 2.27 23 S C T 62.66 6.82 17.74 25.88 93.12 -147.71 -69.33 -24.57 99.30 0.36 0.34 0.85 6.90 91.55 0.01 0.34 0.00 0.28 0.06 24 N C T 99.75 4.59 17.02 22.54 100.18 42.84 -86.69 -37.19 99.48 0.15 0.37 0.20 4.16 95.19 0.01 0.33 0.00 0.08 0.03 25 C C T 62.16 6.13 15.07 22.52 103.37 17.95 -111.08 -13.56 99.57 0.15 0.28 1.03 6.82 91.71 0.01 0.31 0.00 0.09 0.03 26 G C C 38.18 7.79 14.84 23.98 95.13 -123.91 79.95 6.71 98.97 0.86 0.17 78.91 10.70 9.33 0.04 0.15 0.00 0.50 0.38 27 R C C 113.43 5.45 19.45 26.16 119.96 136.14 -80.15 147.20 84.99 14.93 0.08 77.26 7.97 0.26 0.03 0.06 0.00 11.99 2.44 28 M E B 75.22 13.71 17.33 30.97 116.24 -113.97 -80.32 137.13 4.36 95.60 0.04 3.59 0.41 0.03 0.04 0.01 0.00 47.72 48.19 29 T C C 16.90 16.67 15.32 32.83 131.30 -173.00 -127.18 152.42 61.18 38.78 0.04 58.20 2.83 0.08 0.01 0.02 0.00 37.52 1.34 30 P C C 53.83 5.49 21.17 27.39 113.59 -96.34 -64.37 145.32 80.07 19.67 0.26 78.29 2.07 0.19 0.13 0.11 0.00 16.95 2.25 31 K H H 87.64 14.87 12.83 27.44 91.42 -116.41 -57.92 -36.50 25.08 0.61 74.31 3.56 3.89 15.82 44.86 31.14 0.09 0.35 0.29 32 D H H 112.90 2.03 18.89 20.77 91.03 60.06 -68.17 -21.01 22.08 0.68 77.24 2.51 2.88 14.48 49.52 29.69 0.18 0.39 0.35 33 K H H 108.03 6.17 18.18 25.07 96.13 52.70 -90.59 -7.27 18.07 1.83 80.09 5.09 3.25 8.95 52.68 28.20 0.22 1.16 0.45 34 A H H 14.24 20.35 11.90 31.46 108.60 82.92 -79.75 118.17 35.47 10.63 53.90 22.28 7.35 7.10 45.28 7.40 0.12 8.67 1.79 35 V H H 53.33 11.94 15.96 28.41 113.45 43.79 -89.82 129.02 34.21 30.60 35.19 24.25 5.37 4.16 33.52 3.59 0.06 26.48 2.58 36 K E E 124.78 5.78 17.77 24.35 101.50 -152.25 -82.13 -19.58 27.86 36.33 35.81 19.92 3.50 3.22 34.14 3.52 0.03 34.47 1.21 37 R E E 126.06 6.42 16.18 23.63 119.93 29.34 -112.70 136.12 22.68 39.42 37.90 15.28 3.08 3.05 35.89 3.40 0.05 38.21 1.03 38 F E E 89.26 11.07 12.67 24.41 113.70 -146.60 -96.53 131.39 20.59 41.97 37.44 14.77 2.08 2.18 35.89 2.77 0.02 41.22 1.07 39 I E E 86.99 7.03 14.28 22.54 113.16 -154.03 -93.38 129.04 21.87 39.16 38.97 15.44 2.22 2.17 38.41 2.18 0.02 38.50 1.06 40 V H H 81.85 6.30 13.01 20.64 107.81 -141.11 -87.88 123.57 25.55 30.98 43.46 17.47 2.98 3.21 41.91 2.62 0.04 30.55 1.21 41 R H H 135.18 5.17 12.97 19.52 107.88 -144.74 -87.54 92.55 35.16 19.36 45.48 23.20 5.20 5.24 43.27 3.00 0.08 18.72 1.29 42 N H H 86.55 5.61 12.23 19.21 107.77 55.22 -87.66 99.48 44.25 10.99 44.77 30.77 6.13 6.39 42.84 2.99 0.04 9.56 1.28 43 M H H 115.09 3.53 13.02 17.59 96.64 74.10 -69.94 -31.58 27.61 5.35 67.04 17.63 4.79 6.20 63.64 2.57 0.06 4.34 0.78 44 V H H 88.07 3.17 14.20 18.04 96.75 52.41 -71.76 -38.14 16.30 2.97 80.73 10.45 2.89 4.35 77.26 2.09 0.06 2.51 0.39 45 E H H 91.01 5.75 14.25 21.26 95.53 52.58 -68.41 -38.98 11.13 1.38 87.49 7.78 1.77 2.98 84.20 1.87 0.04 1.17 0.19 46 T H H 68.63 4.68 15.51 21.26 94.12 52.70 -66.33 -40.79 5.80 0.55 93.65 3.43 0.88 2.22 91.37 1.54 0.03 0.45 0.08 47 A H H 53.75 3.01 16.50 19.96 92.70 51.53 -65.27 -40.58 4.36 0.38 95.26 1.92 0.62 2.12 93.44 1.52 0.02 0.30 0.06 48 A H H 46.16 4.81 15.56 21.83 92.73 51.19 -65.68 -40.31 5.66 0.55 93.79 2.25 0.82 3.00 91.85 1.55 0.03 0.42 0.08 49 V H H 63.64 6.23 15.15 22.86 92.59 50.80 -65.49 -40.86 4.05 0.51 95.44 1.83 0.64 1.89 94.22 0.97 0.02 0.37 0.07 50 R H H 130.47 2.95 16.89 20.29 92.27 51.65 -65.15 -40.67 3.07 0.32 96.61 1.45 0.44 1.40 95.70 0.73 0.01 0.23 0.04 51 D H H 82.82 2.72 16.79 19.67 92.39 50.23 -66.37 -39.96 3.65 0.28 96.07 1.53 0.50 1.87 95.00 0.85 0.02 0.20 0.04 52 I H H 76.48 5.98 14.76 22.10 92.65 50.48 -66.03 -40.51 3.31 0.16 96.53 1.14 0.41 1.87 95.48 0.95 0.01 0.11 0.03 53 A H H 54.34 6.21 14.57 22.15 93.11 52.60 -66.64 -37.04 5.94 0.13 93.93 1.45 0.61 3.84 92.80 1.15 0.02 0.08 0.04 54 D H H 99.95 2.24 15.88 18.30 93.48 51.45 -72.74 -26.85 17.55 0.27 82.17 2.70 1.65 13.02 80.62 1.68 0.08 0.13 0.12 55 A H H 62.21 4.55 13.29 19.13 97.03 59.74 -77.03 -18.74 34.75 1.46 63.79 8.83 5.56 21.03 60.16 2.90 0.18 0.75 0.59 56 S C H 52.61 7.96 10.74 20.06 106.19 84.14 -86.89 90.44 51.72 9.16 39.12 24.44 9.15 18.93 33.61 4.98 0.26 6.10 2.54 57 V C C 97.93 4.03 12.22 17.60 101.96 149.95 -82.67 -13.30 51.78 17.52 30.70 28.07 9.07 14.94 25.75 5.22 0.26 13.28 3.41 58 Y C C 153.93 3.14 11.71 16.13 103.66 56.99 -92.50 14.28 58.03 18.30 23.67 36.17 9.09 12.31 20.15 4.58 0.11 14.28 3.30 59 Y C C 119.80 6.81 8.28 16.58 110.32 100.08 -94.13 109.19 70.42 14.14 15.44 46.33 11.96 11.54 12.83 3.72 0.05 10.49 3.08 60 T C T 112.20 1.52 11.74 13.97 107.67 -130.13 -80.97 105.21 84.69 3.95 11.36 32.64 14.17 38.31 7.54 3.55 0.01 2.79 1.00 61 G C T 57.55 1.94 12.39 14.99 101.48 3.94 84.28 -1.08 86.72 4.57 8.71 27.03 19.72 40.78 4.16 3.98 0.01 3.26 1.05 62 Y C C 118.29 7.69 8.91 17.89 114.98 112.87 -96.40 131.89 72.10 20.10 7.80 45.29 16.25 11.07 3.97 4.07 0.06 14.52 4.78 63 N C C 107.75 3.67 13.28 18.45 112.23 -162.94 -102.61 116.34 68.23 24.77 7.00 44.80 17.70 5.97 4.54 3.00 0.08 16.77 7.15 64 L C C 72.03 10.77 10.00 21.64 118.57 -146.96 -97.21 135.17 77.93 14.70 7.37 55.38 19.68 3.06 5.88 2.01 0.01 10.74 3.24 65 P C C 62.54 6.98 12.51 21.32 112.89 -108.92 -66.68 149.61 80.30 7.18 12.51 68.86 6.17 5.04 8.42 4.11 0.00 5.96 1.44 66 K C C 143.58 3.81 13.60 18.86 97.55 -118.46 -69.68 -21.40 57.05 7.21 35.74 23.60 17.90 16.69 21.24 13.69 0.21 4.86 1.81 67 L C H 93.93 6.34 13.00 20.56 106.06 65.10 -87.93 40.08 43.97 19.97 36.06 20.35 11.30 13.79 22.46 13.01 0.42 16.11 2.55 68 Y C E 107.42 9.54 13.51 23.88 106.66 58.84 -96.23 53.88 35.41 30.07 34.53 23.13 6.62 6.59 23.52 10.52 0.12 27.27 2.25 69 L E E 63.37 12.28 14.07 26.89 116.51 62.59 -102.09 131.90 32.52 38.30 29.17 22.91 5.44 4.02 24.23 4.96 0.06 36.48 1.91 70 K E E 101.02 9.24 17.98 27.76 116.11 -150.44 -99.98 129.41 28.52 45.30 26.19 19.68 4.18 3.45 22.82 3.55 0.03 45.11 1.17 71 M E E 59.31 14.86 16.99 31.74 117.42 -157.34 -105.05 130.21 26.07 48.33 25.60 18.11 3.57 2.98 22.72 3.25 0.03 48.34 1.00 72 Q E E 60.20 13.65 20.15 33.63 121.56 -161.20 -111.63 133.69 21.37 54.90 23.74 14.21 3.29 2.92 21.60 3.19 0.04 53.49 1.26 73 Y E E 53.92 16.41 20.22 36.23 120.78 -160.57 -110.84 135.74 23.66 54.84 21.49 16.55 3.38 2.65 19.77 2.93 0.04 52.91 1.79 74 C C E 26.61 15.98 21.13 36.93 113.93 -134.17 -89.25 125.71 39.56 37.52 22.91 33.00 2.89 2.23 21.52 2.23 0.01 36.03 2.07 75 I H H 45.11 17.02 20.29 36.74 94.78 -123.39 -65.05 -35.73 19.52 6.18 74.30 9.57 3.97 7.01 66.46 5.67 0.15 6.64 0.53 76 S H H 40.64 9.55 22.33 32.44 92.09 56.13 -64.87 -39.99 13.79 5.85 80.36 6.10 2.57 5.92 71.70 6.65 0.16 6.46 0.43 77 C H H 30.19 11.62 20.45 32.97 92.21 51.37 -66.45 -40.11 9.17 6.28 84.54 4.47 1.71 3.65 75.05 7.77 0.10 6.91 0.34 78 A H H 12.27 16.63 16.73 34.16 92.32 52.86 -64.70 -41.06 8.27 10.17 81.56 4.39 1.38 2.99 74.21 5.58 0.09 10.92 0.44 79 I H H 65.23 10.28 17.82 28.62 92.59 50.90 -65.20 -40.69 9.06 13.82 77.12 4.13 1.46 3.96 71.48 4.41 0.15 13.68 0.72 80 H H H 115.02 5.41 17.84 23.87 92.29 51.64 -68.66 -31.07 19.68 6.82 73.49 4.84 2.34 12.88 68.21 4.20 0.33 6.42 0.79 81 G C T 31.86 8.47 14.54 24.26 94.18 50.40 -86.91 -3.22 70.82 0.98 28.20 5.19 5.32 57.63 28.26 2.63 0.04 0.60 0.34 82 R C T 160.43 4.42 16.90 22.75 94.38 -122.29 62.68 30.35 82.15 2.54 15.30 9.24 8.92 62.30 14.87 2.17 0.04 1.87 0.60 83 I C C 66.28 10.73 15.39 26.84 102.71 133.02 -91.46 -9.57 59.03 22.03 18.93 26.82 22.18 10.84 16.24 3.34 0.30 15.71 4.57 84 V C C 48.08 15.14 13.88 28.66 122.03 52.59 -116.58 138.34 60.55 21.02 18.43 29.92 22.92 8.33 15.42 3.46 0.16 16.73 3.07 85 R C C 127.85 7.18 18.08 26.11 117.45 -149.38 -103.07 128.27 62.69 19.77 17.55 45.21 11.01 5.56 14.97 3.15 0.03 17.32 2.74 86 V C C 64.82 12.71 13.80 26.80 115.14 -155.37 -97.93 126.04 68.13 14.57 17.29 54.66 8.20 4.21 15.41 2.63 0.02 12.21 2.66 87 R C C 105.91 8.71 14.05 23.84 119.08 -157.08 -99.29 144.96 75.90 8.26 15.83 56.64 13.61 4.45 14.79 2.19 0.01 6.47 1.84 88 S C C 47.93 5.35 15.07 21.79 117.26 -112.83 -79.07 149.12 79.63 4.97 15.40 67.23 7.54 3.98 14.36 2.06 0.00 3.39 1.43 89 V H H 81.86 7.38 11.59 20.43 93.58 -120.63 -62.05 -34.51 26.79 1.66 71.56 14.97 6.65 7.89 62.30 6.54 0.06 1.08 0.50 90 E H H 124.53 1.62 14.73 16.15 92.67 54.47 -65.52 -38.88 22.27 1.31 76.42 7.70 4.69 11.01 65.64 9.48 0.14 0.99 0.35 91 N H H 74.46 4.31 12.83 18.68 93.26 49.87 -69.07 -33.53 23.21 1.44 75.36 9.41 4.43 10.54 63.19 10.87 0.10 1.08 0.39 92 R H H 87.93 10.09 9.84 20.83 93.02 59.02 -68.17 -31.57 24.39 1.72 73.89 12.54 4.83 8.81 62.50 9.59 0.07 1.15 0.50 93 K H H 131.46 3.19 12.93 17.44 92.84 59.45 -69.88 -27.45 35.78 3.01 61.21 16.53 7.29 14.38 51.82 6.93 0.15 1.90 1.00 94 I C H 123.26 1.83 13.08 15.15 97.43 51.71 -87.19 -8.08 53.18 3.79 43.02 24.20 10.90 19.84 36.89 4.59 0.11 1.97 1.51 95 R C C 124.82 6.71 9.11 17.23 106.74 85.55 -82.39 96.58 82.02 3.92 14.06 50.62 21.12 9.58 12.56 2.21 0.01 1.64 2.25 96 S C C 82.46 2.11 12.84 16.03 116.57 -132.34 -98.88 134.54 97.23 2.11 0.66 73.02 23.38 0.88 0.47 0.20 0.00 0.89 1.17 97 P C C 80.55 6.62 9.54 17.86 116.50 -105.30 -67.50 150.09 98.71 0.34 0.95 92.36 5.56 0.92 0.55 0.24 0.00 0.15 0.21 98 P C C 79.65 5.63 10.04 17.56 113.38 -101.98 -65.65 150.46 88.73 0.63 10.64 79.73 4.28 5.61 4.97 4.69 0.00 0.30 0.43 99 Q C C 140.60 1.93 11.36 14.67 110.96 -105.24 -75.77 136.08 73.71 2.12 24.17 47.50 13.04 12.73 10.17 14.29 0.00 1.02 1.24 100 K C C 138.22 3.84 9.43 15.26 114.09 -129.36 -91.99 133.26 67.76 4.62 27.62 42.02 13.60 12.04 11.61 16.15 0.02 2.64 1.92 101 L C C 106.40 5.05 8.58 15.41 114.33 -141.00 -93.17 124.95 66.97 7.61 25.42 45.34 12.11 9.18 11.82 13.93 0.02 4.76 2.84 102 R C C 158.44 2.89 9.78 14.56 117.57 -148.74 -99.75 135.95 74.02 8.64 17.34 52.22 12.70 8.60 9.65 7.91 0.02 5.52 3.38 103 R C C 163.38 3.25 8.98 14.14 110.52 -116.37 -79.39 134.48 80.92 6.18 12.90 54.11 13.32 13.33 6.91 5.95 0.01 3.72 2.65 104 G C C 55.40 2.78 9.63 14.05 106.12 -107.52 -26.89 24.78 87.28 2.73 9.99 48.81 17.96 20.74 3.38 6.36 0.00 1.41 1.34 105 G C C 55.13 2.53 10.09 14.15 108.61 -113.75 72.68 10.76 83.05 2.11 14.84 35.58 21.60 26.05 2.73 11.94 0.00 0.99 1.11 106 G C C 56.80 2.42 10.26 14.12 106.78 -48.64 60.83 6.11 79.43 2.64 17.93 35.97 20.46 22.97 2.56 15.49 0.00 1.32 1.22 107 Q C C 128.09 2.81 9.82 14.31 110.18 103.73 -87.55 117.67 79.28 4.40 16.32 48.61 17.12 13.13 2.63 14.22 0.00 2.50 1.78 108 Q C C 123.07 3.94 9.32 15.20 112.69 -138.74 -87.10 132.66 83.11 7.80 9.09 59.68 15.70 6.88 2.24 7.06 0.00 4.03 4.41 109 K C C 129.96 4.06 9.19 15.25 115.21 -142.68 -98.31 130.30 94.13 5.29 0.58 71.04 22.17 1.04 0.22 0.35 0.00 2.55 2.63 110 P C C 102.78 2.90 9.84 14.55 108.86 -110.74 -66.33 142.74 93.54 3.22 3.24 57.34 11.35 24.82 0.57 2.78 0.00 1.99 1.15 111 G C C 59.69 1.82 10.23 13.20 107.57 1.90 71.43 6.53 92.75 3.57 3.68 44.07 21.29 27.41 0.55 3.37 0.00 1.86 1.45 112 G C C 54.50 2.84 9.77 14.28 108.99 -108.28 -53.04 58.54 90.61 4.86 4.54 50.85 25.96 13.47 0.75 4.12 0.00 2.41 2.44 113 G C C 56.36 2.40 9.78 13.77 110.07 -62.09 64.57 76.72 91.57 3.79 4.64 46.95 20.31 24.24 0.69 4.25 0.00 2.05 1.53 114 G C C 56.40 2.63 9.21 13.60 111.32 -99.44 -82.59 150.34 90.07 5.44 4.49 45.76 23.45 20.83 0.72 4.10 0.00 2.81 2.34 115 G C C 57.45 2.14 9.58 13.28 112.43 -54.26 73.49 157.99 89.29 6.64 4.07 51.86 26.46 10.72 0.80 3.55 0.00 3.53 3.08 116 G C C 57.81 2.06 9.47 13.07 112.92 -51.41 79.52 166.31 88.67 5.93 5.40 47.66 22.30 18.78 0.95 4.76 0.00 3.41 2.14 117 G C C 54.84 2.39 8.91 12.95 116.75 -68.18 -94.06 171.29 86.29 8.18 5.53 50.86 18.80 16.75 1.07 4.75 0.00 5.00 2.78 118 A C C 90.65 1.86 8.46 11.90 109.66 -76.04 -80.06 128.68 87.79 8.10 4.11 78.11 3.15 6.64 1.14 2.50 0.00 5.10 3.36 119 R C C 169.22 2.74 10.06 14.58 110.19 -123.97 -87.94 120.38 99.10 0.83 0.07 98.86 0.30 0.14 0.03 0.02 0.00 0.50 0.16