# 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 77.57 11.77 17.36 29.25 118.96 -160.17 -104.63 133.05 98.79 1.19 0.02 98.87 0.14 0.04 0.01 0.00 0.00 0.89 0.05 1 V C C 58.77 12.10 15.31 27.99 119.45 -161.98 -106.87 131.02 54.02 44.84 1.14 51.31 1.05 0.89 0.59 0.42 0.00 42.44 3.30 2 Y E E 97.29 10.68 15.30 26.81 119.84 -160.71 -106.83 134.15 41.87 55.98 2.16 33.47 5.80 2.64 0.98 1.22 0.01 53.22 2.66 3 T E E 55.47 11.80 15.57 27.90 120.81 -168.22 -112.46 137.21 43.90 53.83 2.27 32.67 8.14 3.64 0.76 1.43 0.01 51.72 1.64 4 N C E 84.05 8.20 17.52 26.33 108.29 -150.73 -96.83 98.20 52.81 44.47 2.72 36.92 11.00 5.30 0.81 1.82 0.01 42.52 1.61 5 W C C 81.13 15.08 12.84 27.77 114.78 -165.70 -96.71 127.22 61.34 34.43 4.23 41.03 11.82 8.64 1.41 2.70 0.02 32.21 2.18 6 Q C C 106.84 6.01 17.26 24.20 109.59 -163.30 -94.86 107.15 68.91 26.57 4.52 39.33 16.46 13.71 1.36 2.94 0.02 24.01 2.16 7 S C C 49.60 10.22 14.89 25.74 117.55 41.64 -107.53 147.81 76.38 18.93 4.69 36.48 22.64 18.28 1.16 3.18 0.01 16.46 1.78 8 S C S 60.71 8.47 17.04 26.08 105.15 -136.15 -90.49 29.61 77.39 18.18 4.43 28.80 29.53 19.96 1.00 3.00 0.01 16.20 1.49 9 Y C E 91.64 11.86 16.94 29.14 114.55 81.94 -102.57 124.46 62.96 33.10 3.95 27.31 24.36 13.16 0.96 2.62 0.04 29.87 1.67 10 T E E 38.23 14.96 17.79 32.86 117.88 130.75 -106.89 133.66 41.85 55.26 2.89 28.43 10.16 4.49 0.88 1.79 0.02 52.94 1.28 11 R E E 84.06 12.95 21.67 34.36 119.80 -152.34 -107.63 132.53 21.85 75.51 2.64 16.83 3.91 1.77 1.07 1.29 0.01 74.09 1.02 12 L E E 19.87 21.13 19.13 39.92 120.85 -164.36 -111.71 130.87 14.75 83.28 1.97 11.52 2.31 1.09 0.80 0.89 0.00 82.76 0.61 13 F E E 58.71 13.66 23.92 37.49 121.38 -163.10 -113.10 132.07 12.66 85.56 1.78 9.89 2.04 1.06 0.78 0.85 0.01 84.64 0.73 14 V E E 18.60 20.56 17.98 38.22 121.51 -165.12 -112.75 132.93 21.73 77.06 1.21 16.79 3.94 1.52 0.47 0.69 0.00 75.45 1.14 15 S C E 41.79 11.26 20.54 32.16 110.36 -159.09 -92.50 119.69 60.38 38.78 0.84 32.91 24.08 3.64 0.20 0.62 0.01 37.56 0.99 16 K C S 89.07 10.19 19.33 29.65 117.90 -44.88 -106.89 134.14 77.83 18.35 3.81 32.18 38.29 7.84 1.43 2.06 0.05 16.37 1.77 17 P C C 57.03 11.86 18.00 30.00 105.06 -105.15 -71.65 91.47 77.94 10.11 11.94 42.98 17.25 18.64 3.54 7.79 0.03 8.27 1.52 18 W C C 87.76 14.11 16.89 30.72 110.16 -141.68 -90.84 105.18 62.54 21.36 16.09 35.11 12.95 16.34 5.16 10.15 0.09 16.66 3.54 19 M C C 68.98 12.91 17.70 30.55 107.97 90.28 -91.56 60.55 59.63 25.67 14.70 31.23 15.67 15.22 5.22 8.73 0.19 19.89 3.84 20 W C C 97.61 12.85 17.52 30.36 109.27 64.97 -94.62 72.23 64.60 24.91 10.49 32.48 20.36 14.00 4.35 5.73 0.23 18.68 4.17 21 H C C 62.57 12.61 17.11 30.24 114.92 88.00 -104.45 125.39 80.08 14.80 5.12 52.11 23.25 4.97 3.30 1.89 0.02 11.87 2.59 22 P C T 57.35 12.09 18.40 30.76 100.04 -130.81 -68.12 -6.29 64.65 9.15 26.20 25.91 12.86 26.19 18.00 7.87 0.13 7.67 1.36 23 L C C 65.69 12.59 18.83 31.13 102.15 69.59 -82.94 -2.14 52.18 17.45 30.37 21.22 11.32 20.59 20.63 9.01 0.33 14.87 2.03 24 A C E 28.34 15.49 18.71 33.81 105.64 83.11 -87.75 37.15 37.87 28.72 33.42 21.36 8.19 9.01 22.83 9.89 0.21 26.29 2.21 25 W E E 67.19 16.88 19.42 35.30 106.90 61.18 -90.55 28.59 29.86 38.28 31.86 17.26 6.15 7.37 23.19 8.51 0.20 35.29 2.04 26 M E E 58.47 14.99 20.57 34.83 111.08 73.29 -99.19 90.28 29.03 43.36 27.61 15.54 6.50 8.04 20.47 7.26 0.24 40.12 1.82 27 T E E 45.73 14.14 21.42 35.05 115.77 53.49 -103.23 122.33 30.18 47.04 22.78 16.89 6.59 7.99 17.05 6.14 0.27 43.05 2.03 28 L E E 28.93 20.19 18.84 37.95 116.17 -163.27 -104.62 128.94 36.33 47.66 16.00 21.97 8.03 6.75 12.76 3.97 0.11 44.36 2.04 29 S E E 37.76 13.99 22.73 36.04 113.23 -162.45 -97.64 123.20 39.75 47.46 12.80 22.67 9.09 8.39 9.24 3.69 0.10 45.17 1.65 30 V E E 33.40 18.11 20.98 37.99 114.71 -167.22 -103.70 126.16 37.51 49.56 12.93 17.27 10.26 11.50 8.73 4.03 0.24 46.17 1.78 31 G E E 12.59 17.80 22.69 39.33 117.59 -145.60 -133.02 153.58 38.86 50.70 10.44 20.34 9.77 9.78 6.40 3.60 0.10 48.61 1.41 32 I E E 24.80 20.05 21.83 40.96 117.22 -145.59 -104.51 132.84 28.40 59.52 12.08 18.33 6.06 4.82 8.43 3.78 0.11 56.77 1.70 33 W E E 49.99 17.28 22.96 39.53 116.72 -158.50 -105.99 129.40 23.23 63.36 13.41 14.74 5.03 4.67 9.53 4.21 0.16 59.92 1.74 34 W E E 38.61 18.87 19.58 37.95 119.30 -164.88 -108.01 136.69 24.45 62.58 12.98 15.96 4.98 4.77 8.71 4.38 0.17 59.36 1.67 35 K E E 74.59 11.95 21.15 32.97 116.98 -152.95 -102.49 131.23 32.44 55.31 12.25 20.32 6.72 6.94 7.67 4.67 0.32 51.03 2.32 36 F C E 66.13 15.51 15.66 30.70 110.72 -143.51 -86.57 119.57 56.33 32.90 10.77 19.61 12.53 26.52 5.75 4.49 0.30 28.01 2.80 37 G C T 41.65 7.18 17.09 24.77 106.74 1.69 81.75 -34.22 82.34 9.01 8.65 20.41 20.60 42.24 3.88 4.05 0.04 7.34 1.44 38 K C T 119.66 6.54 15.09 22.60 109.46 58.50 -93.19 83.72 76.86 11.13 12.01 23.73 25.52 28.94 5.60 5.53 0.12 8.45 2.11 39 E C C 104.09 8.28 15.60 24.63 110.71 80.03 -86.84 121.58 61.76 25.60 12.63 30.11 18.24 15.56 6.31 5.90 0.24 19.95 3.70 40 S C C 46.84 11.00 15.94 27.43 114.96 -149.71 -92.96 135.59 60.32 27.72 11.95 38.57 11.39 11.10 5.82 6.09 0.06 23.31 3.66 41 L C C 57.79 13.76 16.29 30.03 104.03 -147.35 -86.19 3.85 62.89 23.39 13.73 28.41 15.89 20.70 6.42 6.69 0.22 17.97 3.70 42 C C C 44.57 13.48 16.18 29.75 108.73 81.27 -92.79 80.81 69.22 18.06 12.72 25.97 19.55 25.80 5.53 6.39 0.16 13.62 2.99 43 N C C 84.19 8.74 18.71 27.69 107.14 78.68 -93.25 52.28 71.87 16.98 11.15 26.55 25.42 21.94 4.22 6.00 0.08 13.48 2.32 44 E C C 84.03 11.59 17.99 29.55 112.40 105.45 -94.27 121.45 63.10 27.88 9.02 29.42 20.91 15.02 3.21 5.09 0.09 23.96 2.30 45 R C E 78.45 14.71 18.44 32.75 116.09 -163.22 -104.77 126.82 49.77 44.74 5.49 31.93 13.01 6.70 2.00 3.27 0.05 40.99 2.06 46 S E E 28.42 14.16 21.64 35.96 125.99 -147.30 -117.61 144.72 32.92 64.06 3.03 24.34 7.14 2.71 1.07 1.72 0.02 61.81 1.18 47 F E E 18.42 22.12 19.05 40.87 130.09 -168.41 -129.98 144.93 13.82 84.11 2.08 10.54 2.65 1.13 0.84 0.97 0.01 83.29 0.56 48 Y E E 59.20 13.93 25.35 39.28 123.67 -157.64 -117.24 135.60 6.80 91.84 1.36 5.57 0.92 0.49 0.67 0.56 0.00 91.37 0.41 49 I E E 13.79 22.66 19.89 42.47 119.88 -159.16 -110.20 128.87 7.89 90.75 1.36 6.43 1.09 0.56 0.65 0.61 0.00 90.13 0.51 50 H E E 49.51 13.51 23.02 36.65 119.37 -166.66 -109.62 133.53 20.71 78.08 1.21 15.18 4.51 1.69 0.39 0.70 0.01 76.77 0.76 51 T C E 34.31 16.33 18.74 34.78 119.27 -159.93 -107.21 134.30 60.70 38.31 0.99 31.23 26.63 4.15 0.20 0.77 0.01 35.86 1.15 52 H C C 62.43 12.25 17.45 30.41 117.09 -147.72 -102.98 129.61 82.78 16.21 1.01 52.63 27.92 2.85 0.30 0.75 0.00 13.52 2.03 53 P C C 58.80 10.55 15.20 26.63 106.19 -119.39 -68.92 133.10 85.34 5.69 8.97 46.48 15.40 23.64 1.49 7.66 0.01 4.09 1.24 54 K C C 132.21 5.10 15.45 21.63 103.26 57.57 -82.14 11.36 81.77 8.23 10.00 31.96 21.18 29.90 1.75 7.83 0.02 5.07 2.27 55 W C C 128.61 8.82 13.59 23.20 106.62 71.81 -93.70 20.24 76.68 12.22 11.09 36.37 23.83 17.82 2.47 8.26 0.06 6.75 4.43 56 A C C 45.88 9.60 13.40 24.21 119.10 73.21 -101.45 139.54 85.97 8.77 5.26 45.96 30.76 9.94 2.19 3.00 0.01 5.58 2.55 57 P C C 78.10 7.02 16.12 24.07 107.96 -97.46 -70.89 133.47 86.69 5.69 7.62 43.06 22.33 21.98 2.87 4.45 0.01 3.92 1.39 58 H C C 77.11 13.55 14.25 27.68 116.42 -147.96 -98.30 131.58 70.35 18.24 11.41 40.65 16.41 14.22 4.84 6.38 0.04 14.47 2.99 59 K C C 103.59 8.56 19.19 28.22 115.76 -153.58 -100.05 127.27 58.14 29.29 12.58 37.20 13.03 8.79 6.60 5.74 0.07 25.84 2.72 60 F E E 57.06 17.31 15.47 32.25 118.84 -150.39 -102.40 135.02 40.46 45.02 14.52 27.13 8.65 6.26 9.09 5.44 0.10 40.60 2.73 61 H E E 69.39 12.82 19.88 32.73 117.93 -166.22 -109.67 134.09 33.68 53.33 12.99 22.11 7.65 5.41 8.13 4.51 0.08 50.45 1.67 62 T E E 42.25 14.17 19.88 34.09 120.22 -154.54 -109.53 135.59 27.30 60.24 12.46 18.01 6.25 4.60 7.85 4.17 0.06 57.63 1.42 63 V E E 36.94 16.25 18.77 34.94 117.88 -160.00 -109.17 129.00 22.98 65.60 11.42 15.42 4.83 3.61 7.88 3.38 0.06 63.50 1.32 64 Y E E 61.72 15.23 19.50 34.60 120.75 -169.33 -111.93 135.15 24.21 66.27 9.52 16.01 5.25 4.00 6.25 3.06 0.07 64.02 1.34 65 N E E 63.64 11.62 20.45 32.10 115.57 -157.34 -106.26 120.19 31.78 61.03 7.19 21.79 6.28 4.68 4.22 2.75 0.05 58.82 1.41 66 W E E 63.87 16.52 14.97 31.29 117.84 -170.30 -104.73 129.43 41.18 52.34 6.48 27.98 8.31 6.18 3.64 2.88 0.07 48.54 2.40 67 S C C 48.52 8.76 16.28 25.99 118.93 -163.24 -104.98 147.05 57.84 37.75 4.41 35.02 13.89 9.65 2.07 2.24 0.04 34.92 2.15 68 R C S 140.56 6.80 13.96 21.92 103.38 -142.34 -89.23 7.69 75.93 20.29 3.78 29.51 32.24 15.16 1.57 2.02 0.04 17.51 1.95 69 D C C 89.97 4.61 14.12 20.09 114.78 82.10 -95.89 124.63 85.92 10.27 3.81 37.87 34.57 13.88 1.86 1.86 0.01 8.53 1.41 70 P C C 80.84 7.12 13.49 21.73 106.23 -101.59 -72.62 115.24 83.38 7.69 8.94 32.88 22.73 28.21 5.36 3.40 0.02 6.34 1.07 71 I C C 70.76 11.90 12.62 25.02 116.07 -141.32 -96.69 130.00 61.15 27.33 11.52 31.89 14.87 15.67 7.45 4.06 0.11 23.34 2.61 72 K C E 118.57 6.51 18.09 25.57 114.41 -151.74 -94.69 124.80 46.18 40.60 13.22 32.68 7.98 5.20 10.14 3.77 0.05 37.34 2.84 73 W E E 63.25 17.05 14.27 30.97 120.06 -162.76 -107.36 137.58 38.45 46.55 15.00 28.87 5.15 3.44 12.87 3.17 0.03 43.99 2.48 74 T E E 54.68 9.84 21.64 31.67 118.45 -160.41 -103.84 141.82 36.11 47.78 16.11 27.18 4.60 2.98 14.53 2.87 0.02 45.50 2.33 75 L E E 43.28 17.13 18.83 35.07 107.75 -122.74 -79.18 127.60 29.14 35.84 35.02 18.86 5.16 4.18 31.89 3.98 0.08 33.60 2.24 76 A H H 27.18 16.75 18.79 34.65 103.95 -137.36 -76.43 1.74 25.97 28.93 45.10 16.69 4.57 4.19 39.69 4.72 0.08 28.62 1.45 77 E H H 83.28 11.41 20.69 31.60 104.56 14.99 -82.80 0.80 25.34 29.55 45.11 16.14 4.46 4.40 39.49 5.11 0.08 29.14 1.17 78 Q H H 70.03 12.97 20.83 33.12 106.38 59.11 -86.29 62.22 25.81 32.20 42.00 15.71 4.65 4.62 38.02 4.37 0.06 31.40 1.16 79 Y E E 56.77 17.49 19.78 36.02 109.30 55.73 -95.44 84.25 24.27 39.85 35.88 14.99 4.34 3.88 34.81 3.37 0.04 36.96 1.61 80 A E E 26.43 16.86 19.72 35.85 113.09 72.13 -93.91 130.99 25.19 41.16 33.65 16.16 3.58 3.56 33.47 2.81 0.02 39.17 1.22 81 S E E 41.08 12.17 22.08 33.96 113.72 -160.22 -100.43 124.16 26.21 44.01 29.78 15.48 4.11 4.75 29.67 3.17 0.02 41.78 1.02 82 I E E 40.16 16.67 19.49 35.60 114.34 -153.05 -100.30 126.09 23.01 47.49 29.51 13.22 4.09 4.46 30.06 3.38 0.02 43.45 1.32 83 I E E 41.86 15.91 17.80 33.50 114.37 -159.91 -101.10 126.42 25.86 47.43 26.72 16.09 4.23 4.15 27.46 3.12 0.03 42.78 2.16 84 R C E 97.99 10.65 17.10 28.15 113.86 -157.50 -97.14 128.24 40.64 37.45 21.91 25.53 6.04 7.29 21.45 3.04 0.04 34.11 2.49 85 N C C 83.75 8.79 15.04 24.47 108.36 -139.44 -90.22 100.54 68.62 17.42 13.96 36.68 12.34 17.90 12.75 2.68 0.03 15.93 1.67 86 T C C 76.44 6.68 13.62 21.43 106.23 139.52 -97.25 23.43 81.15 7.86 10.99 33.49 20.10 27.99 8.16 2.91 0.03 5.91 1.41 87 N C C 103.10 5.47 13.28 19.84 103.39 -93.14 -89.17 36.05 88.95 3.59 7.46 34.15 26.66 28.61 4.66 2.62 0.01 2.42 0.88 88 T C C 84.11 5.63 13.51 20.38 107.59 112.54 -93.16 36.67 83.38 6.57 10.05 30.81 28.14 25.10 6.18 3.59 0.03 4.90 1.25 89 D C C 83.28 6.90 15.77 23.57 108.90 71.64 -91.10 105.16 70.59 18.69 10.72 40.97 16.53 13.56 6.70 4.08 0.04 16.11 2.01 90 I C E 54.27 15.44 13.26 28.46 114.19 -159.53 -97.71 123.71 45.66 37.92 16.42 32.78 7.62 5.43 11.43 5.42 0.05 35.00 2.26 91 E E E 92.65 9.29 19.50 28.92 112.90 -161.10 -94.92 123.89 32.66 50.84 16.50 21.39 7.16 5.39 11.09 5.30 0.08 48.17 1.44 92 A E E 28.20 15.40 17.79 33.13 120.90 -142.43 -111.64 138.36 23.42 60.69 15.89 14.96 5.46 4.68 9.81 5.22 0.05 58.81 1.01 93 V E E 40.43 14.95 19.68 34.64 119.52 -155.03 -110.91 132.11 18.63 69.05 12.31 13.38 3.38 2.75 8.25 3.56 0.03 67.74 0.92 94 L E E 27.49 19.18 18.50 37.19 119.46 -159.28 -107.58 132.78 18.52 75.81 5.67 13.58 3.27 1.87 3.48 1.71 0.01 75.41 0.67 95 K E E 89.28 10.74 23.31 34.01 120.72 -155.10 -112.29 130.28 15.22 81.26 3.52 11.67 2.28 1.48 1.88 1.19 0.01 80.97 0.53 96 I E E 19.19 21.99 16.58 38.22 121.69 -165.71 -115.84 130.33 14.95 83.00 2.05 12.47 1.90 0.92 1.24 0.71 0.00 82.09 0.66 97 K E E 100.34 7.96 24.15 32.56 118.92 -158.50 -111.07 129.87 21.50 76.80 1.71 17.83 3.04 1.19 1.08 0.72 0.00 74.66 1.48 98 L C C 28.60 20.49 14.35 34.28 118.80 -146.28 -96.80 135.84 58.17 41.25 0.57 49.14 6.80 0.90 0.20 0.36 0.00 41.53 1.08 99 P C C 50.01 9.39 17.36 27.98 113.57 -110.03 -68.35 148.35 64.67 32.15 3.18 51.83 7.61 4.70 0.90 2.27 0.00 30.39 2.30 100 A C C 64.58 8.02 13.79 22.87 104.16 -114.98 -73.97 94.76 77.11 13.69 9.20 34.24 21.55 22.85 1.57 7.32 0.02 9.99 2.46 101 N C C 108.64 3.74 13.11 18.20 103.39 53.17 -88.96 58.07 78.85 12.32 8.83 40.30 16.95 22.51 1.64 7.05 0.01 8.58 2.95 102 A C C 57.95 9.17 8.86 18.86 106.53 144.56 -84.44 85.25 87.32 6.75 5.93 77.51 2.97 7.06 1.38 4.36 0.00 4.64 2.10 103 N C C 116.81 3.08 13.94 18.35 104.67 -145.87 -83.05 68.15 99.79 0.18 0.03 99.45 0.24 0.15 0.01 0.01 0.00 0.12 0.02