# 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 76.29 11.13 13.45 25.02 115.89 -156.66 -91.97 127.42 99.77 0.11 0.11 99.69 0.09 0.07 0.08 0.01 0.00 0.05 0.02 1 F C C 123.57 4.80 13.69 19.60 104.33 -135.48 -74.15 13.61 51.91 8.97 39.13 45.85 1.68 5.17 35.00 3.60 0.01 3.59 5.10 2 L H H 80.62 8.62 10.98 20.49 95.19 79.73 -68.33 -33.03 26.43 1.74 71.84 12.75 4.58 10.59 56.13 14.14 0.08 1.20 0.51 3 T H H 63.64 7.02 11.62 20.15 93.28 59.28 -65.85 -36.03 13.80 0.95 85.25 4.98 2.10 6.34 62.12 23.42 0.04 0.84 0.16 4 A H H 60.23 3.94 13.55 18.73 93.27 55.19 -68.15 -34.48 10.22 1.03 88.75 3.05 1.49 5.14 64.38 24.78 0.03 0.99 0.13 5 L H H 80.10 6.40 12.39 20.33 94.85 58.07 -71.84 -30.94 14.73 2.06 83.21 4.06 2.24 8.17 63.29 20.01 0.09 1.82 0.32 6 L H H 72.73 9.48 10.72 21.16 101.77 61.85 -84.22 12.36 33.66 4.75 61.59 14.78 6.72 14.95 48.75 9.93 0.27 2.96 1.65 7 R C C 143.69 4.46 11.70 17.71 103.20 82.70 -78.15 14.88 61.09 4.78 34.13 33.60 8.49 19.29 28.96 5.04 0.07 2.84 1.70 8 R C C 151.54 3.66 10.66 15.86 104.59 87.41 -89.06 10.63 74.33 3.66 22.01 35.85 16.67 22.01 18.02 4.06 0.05 1.87 1.48 9 N C C 110.12 3.57 10.92 15.90 108.88 51.71 -93.70 95.11 90.65 2.27 7.08 42.85 30.18 18.05 4.41 2.41 0.01 1.09 1.00 10 R C C 167.95 2.56 11.48 15.50 111.56 -135.26 -93.36 117.38 95.62 3.27 1.11 61.64 29.29 4.84 0.40 0.70 0.00 1.80 1.33 11 I C C 85.14 7.97 8.27 17.53 117.59 -145.61 -93.84 133.51 95.53 3.85 0.62 75.75 17.84 1.96 0.24 0.38 0.00 2.07 1.76 12 P C C 92.90 3.39 11.59 16.36 111.81 -108.60 -69.52 142.84 94.21 2.77 3.02 62.40 15.25 16.47 0.76 2.34 0.00 1.56 1.23 13 G C C 47.14 3.91 10.82 16.26 122.39 51.38 124.60 -172.72 86.31 5.42 8.27 42.71 22.83 21.21 2.12 5.83 0.01 2.61 2.67 14 R C C 165.11 2.79 10.78 15.01 109.58 -52.36 -86.04 110.13 79.61 7.67 12.72 50.67 16.46 12.30 4.31 8.41 0.02 4.02 3.81 15 Q C C 110.08 4.88 9.40 15.93 111.82 69.00 -91.95 120.89 72.70 9.36 17.95 39.83 17.43 15.88 7.77 9.73 0.09 5.34 3.93 16 W C C 168.79 3.51 9.48 14.50 105.92 -130.14 -90.64 30.30 71.47 11.06 17.47 39.05 16.69 16.18 8.17 8.79 0.10 6.30 4.72 17 I C C 107.42 3.26 9.40 14.23 117.75 85.45 -111.70 135.55 71.60 12.28 16.12 33.39 24.32 14.89 8.03 6.99 0.21 5.77 6.41 18 G C T 45.34 3.22 10.44 15.05 112.91 -0.94 73.84 -145.94 68.48 4.07 27.45 18.33 19.47 32.02 4.41 21.64 0.04 2.23 1.86 19 K C T 158.70 1.57 10.34 12.69 95.38 -19.31 -72.98 -19.71 68.78 2.42 28.80 11.99 16.85 39.92 3.53 25.16 0.03 1.34 1.18 20 H C T 139.23 2.22 9.65 13.14 101.21 56.27 -93.22 8.93 68.03 6.57 25.39 21.03 18.50 29.73 3.28 21.09 0.06 3.53 2.77 21 R C C 130.99 5.23 8.49 15.55 113.56 108.42 -86.24 131.87 83.99 12.11 3.90 59.77 17.83 5.62 1.26 2.81 0.00 5.61 7.11 22 R C C 154.82 2.74 10.21 14.79 115.81 -127.14 -87.29 133.26 91.82 7.70 0.47 79.86 11.09 0.78 0.22 0.27 0.00 4.20 3.58 23 P C C 90.83 4.91 9.47 16.41 113.56 -112.67 -69.43 141.67 97.11 2.70 0.19 92.93 3.87 0.43 0.07 0.09 0.00 1.41 1.19 24 R C C 148.02 3.74 10.32 16.05 116.75 -125.00 -90.53 137.42 98.77 1.15 0.08 95.81 2.91 0.16 0.03 0.03 0.00 0.48 0.58 25 P C C 108.85 2.08 12.52 15.83 113.50 -109.26 -71.81 141.73 98.61 1.28 0.11 97.16 1.44 0.14 0.05 0.03 0.00 0.45 0.72 26 V C C 60.43 11.87 6.37 18.15 115.92 -125.69 -88.07 136.78 98.01 1.68 0.30 96.88 1.14 0.14 0.19 0.05 0.00 0.48 1.13 27 S C C 60.84 1.93 13.68 15.70 120.96 -131.51 -81.62 165.09 98.74 0.63 0.64 97.69 1.03 0.17 0.49 0.06 0.00 0.16 0.42 28 A H H 86.62 1.70 11.27 13.93 91.80 -103.56 -59.19 -37.95 3.50 0.01 96.49 0.91 0.67 1.67 96.36 0.38 0.00 0.00 0.00 29 Q H H 129.63 0.93 13.44 13.49 91.71 52.78 -64.43 -39.91 1.56 0.00 98.44 0.27 0.17 0.95 98.25 0.36 0.00 0.00 0.00 30 A H H 41.31 5.79 11.97 19.79 92.06 50.34 -65.03 -40.48 0.50 0.00 99.49 0.14 0.05 0.25 99.24 0.32 0.00 0.00 0.00 31 K H H 94.72 5.68 13.67 20.80 91.74 51.26 -63.52 -41.29 0.17 0.00 99.83 0.03 0.01 0.08 99.80 0.07 0.00 0.00 0.00 32 Q H H 100.55 1.90 16.63 18.02 91.68 49.89 -64.34 -40.91 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 33 N H H 78.83 2.93 16.74 19.97 91.88 49.98 -64.74 -40.70 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 34 M H H 65.23 6.99 14.87 23.49 91.93 50.95 -64.35 -41.38 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 35 I H H 83.94 3.65 17.23 21.46 91.77 50.01 -63.58 -42.13 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 36 R H H 134.33 2.08 17.85 19.50 91.90 49.86 -63.99 -41.54 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 37 R H H 114.97 4.88 16.94 22.69 91.89 50.27 -64.49 -40.71 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 38 L H H 76.55 5.26 16.63 22.95 91.91 50.66 -64.25 -41.13 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 E H H 101.52 2.78 18.74 21.28 91.87 50.65 -64.03 -40.94 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 T H H 58.33 4.94 17.68 23.55 91.96 49.61 -64.60 -42.12 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 41 E H H 71.60 7.43 16.97 25.55 92.01 50.21 -64.11 -41.33 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 42 A H H 48.37 3.79 18.18 22.62 91.44 50.52 -63.59 -41.79 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 43 E H H 99.11 2.98 19.06 21.90 91.71 49.93 -64.40 -41.13 0.31 0.00 99.69 0.02 0.01 0.22 99.73 0.02 0.00 0.00 0.00 44 N H H 52.01 8.59 15.70 25.53 92.05 50.64 -64.34 -41.21 0.41 0.00 99.59 0.04 0.02 0.27 99.61 0.06 0.00 0.00 0.00 45 Q H H 84.79 5.41 16.81 23.18 91.75 51.18 -63.81 -40.75 0.41 0.00 99.59 0.03 0.02 0.32 99.30 0.34 0.00 0.00 0.00 46 Y H H 132.66 2.29 17.42 19.40 92.04 50.43 -64.86 -40.55 0.83 0.00 99.17 0.04 0.03 0.73 98.22 0.98 0.00 0.00 0.00 47 W H H 112.22 6.07 14.72 22.15 92.39 50.09 -65.13 -40.16 1.66 0.00 98.34 0.06 0.07 1.51 96.77 1.58 0.00 0.00 0.00 48 L H H 78.18 8.43 12.87 22.30 92.82 51.32 -72.21 -23.57 12.33 0.01 87.66 0.38 0.50 11.46 86.16 1.48 0.01 0.00 0.01 49 S C T 75.46 3.11 14.62 18.58 94.01 58.47 -81.94 -10.85 59.85 0.11 40.04 2.45 4.47 51.02 39.88 2.03 0.02 0.03 0.10 50 R C S 122.70 4.96 11.25 18.10 113.22 84.26 -98.26 118.05 96.13 0.68 3.19 26.64 63.34 6.22 1.54 1.34 0.00 0.22 0.70 51 P C T 97.27 4.05 11.63 17.44 100.72 -149.27 -68.62 -7.34 94.36 0.28 5.36 11.85 14.46 67.93 0.92 4.51 0.00 0.15 0.18 52 F C T 147.46 3.01 12.42 16.62 102.95 62.40 -88.45 47.82 93.82 0.85 5.33 19.46 11.61 62.83 1.10 4.10 0.00 0.47 0.43 53 L C C 61.54 11.00 7.84 19.52 117.07 126.32 -88.24 136.83 92.02 5.36 2.62 70.61 18.99 1.43 1.62 1.00 0.00 1.67 4.68 54 T C C 66.02 3.04 14.23 18.07 121.59 -133.45 -84.87 163.82 96.75 1.55 1.70 92.66 3.53 0.56 1.53 0.23 0.00 0.56 0.94 55 A H H 76.98 3.43 11.57 16.73 91.70 -106.17 -59.12 -37.47 9.94 0.07 89.99 1.65 1.68 6.50 82.59 7.48 0.03 0.03 0.04 56 E H H 132.02 1.42 13.41 14.82 91.86 54.57 -64.97 -38.61 8.32 0.06 91.61 1.15 0.98 5.78 82.81 9.18 0.02 0.04 0.02 57 Q H H 90.32 4.89 11.97 18.40 92.67 49.35 -69.11 -35.30 7.20 0.07 92.73 1.34 0.91 4.52 83.35 9.79 0.02 0.05 0.02 58 E H H 82.88 7.24 10.82 19.63 94.18 53.23 -72.61 -27.86 15.07 0.21 84.72 3.57 2.48 9.23 78.41 6.05 0.05 0.10 0.10 59 R C H 150.05 2.66 13.34 16.92 101.18 68.77 -73.97 12.57 51.41 0.33 48.27 3.96 4.71 41.54 46.65 2.73 0.08 0.14 0.20 60 G C T 41.67 3.56 13.45 18.02 99.07 31.68 16.05 -13.75 58.66 0.22 41.12 7.70 5.70 43.50 40.58 2.28 0.01 0.08 0.14 61 H H H 98.76 3.93 12.52 17.86 94.01 92.03 -65.48 -40.46 13.51 0.12 86.37 6.27 2.50 5.29 83.59 2.24 0.01 0.05 0.05 62 A H H 56.54 3.28 13.70 17.99 92.66 51.01 -65.26 -39.88 5.80 0.06 94.13 2.33 0.88 2.76 91.83 2.13 0.01 0.03 0.02 63 A H H 57.45 2.80 13.66 17.39 92.46 51.14 -65.08 -39.99 3.55 0.05 96.40 1.35 0.54 1.76 94.18 2.12 0.01 0.03 0.01 64 V H H 84.26 2.59 13.99 17.21 92.74 50.17 -66.02 -40.60 3.80 0.04 96.16 1.30 0.55 1.94 94.54 1.63 0.01 0.02 0.01 65 R H H 146.38 1.84 14.43 16.28 92.49 50.15 -65.47 -39.39 6.33 0.05 93.63 2.02 0.84 3.25 92.63 1.22 0.01 0.02 0.02 66 R H H 138.97 2.11 14.31 16.66 92.89 49.69 -66.75 -38.51 10.19 0.05 89.75 3.55 1.19 5.02 89.18 1.00 0.00 0.02 0.02 67 A H H 56.00 3.18 13.84 18.12 92.48 53.06 -64.28 -40.83 6.36 0.03 93.61 2.99 0.77 2.27 93.33 0.61 0.00 0.01 0.01 68 A H H 60.80 2.02 15.15 17.12 92.10 50.62 -64.65 -40.47 2.35 0.01 97.64 0.90 0.27 0.97 97.46 0.39 0.00 0.00 0.00 69 A H H 59.53 2.34 15.12 17.67 92.23 50.61 -65.07 -40.44 1.42 0.01 98.58 0.42 0.14 0.69 98.42 0.34 0.00 0.00 0.00 70 F H H 106.04 3.35 14.29 18.55 92.40 50.33 -64.96 -41.37 0.71 0.00 99.29 0.17 0.07 0.36 99.19 0.21 0.00 0.00 0.00 71 Q H H 104.10 2.08 15.49 17.59 92.02 50.35 -64.76 -40.94 0.40 0.00 99.60 0.08 0.03 0.21 99.58 0.10 0.00 0.00 0.00 72 A H H 60.62 1.84 15.53 17.03 91.89 50.34 -64.10 -40.70 0.35 0.00 99.65 0.05 0.02 0.20 99.66 0.07 0.00 0.00 0.00 73 L H H 87.73 2.88 14.79 18.22 92.19 49.64 -64.42 -41.53 0.28 0.00 99.72 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 74 K H H 112.08 3.18 14.74 18.79 92.01 50.23 -64.44 -41.05 0.28 0.00 99.72 0.04 0.02 0.16 99.72 0.07 0.00 0.00 0.00 75 A H H 61.24 1.89 15.43 17.08 91.72 50.22 -64.20 -41.08 0.34 0.00 99.66 0.04 0.02 0.21 99.64 0.09 0.00 0.00 0.00 76 A H H 58.24 2.03 15.01 17.00 91.98 49.90 -64.47 -40.60 0.62 0.00 99.38 0.06 0.04 0.42 99.30 0.19 0.00 0.00 0.00 77 Q H H 88.87 4.41 13.21 18.90 92.38 49.79 -65.75 -39.36 1.58 0.00 98.41 0.15 0.10 1.15 98.08 0.52 0.00 0.00 0.00 78 A H H 61.38 4.58 12.19 18.37 92.13 53.35 -65.60 -34.73 4.96 0.01 95.03 0.35 0.29 4.03 92.89 2.44 0.00 0.00 0.00 79 A H H 84.92 1.19 13.59 14.45 91.99 56.66 -70.37 -24.30 33.29 0.03 66.68 1.12 1.35 30.67 63.00 3.81 0.01 0.01 0.03 80 R C T 166.88 1.70 12.83 14.67 96.22 52.12 -88.65 -6.69 60.71 0.10 39.20 3.63 4.33 51.65 35.64 4.61 0.01 0.03 0.09 81 F C S 86.33 9.74 6.88 17.54 118.75 96.37 -84.61 142.38 99.45 0.26 0.29 22.98 75.99 0.53 0.20 0.05 0.00 0.06 0.19 82 P C C 82.67 3.19 11.94 16.54 115.39 -107.05 -66.86 150.47 99.34 0.27 0.40 97.08 1.61 0.79 0.12 0.15 0.00 0.11 0.14 83 A C S 86.53 2.26 12.53 16.07 107.61 -103.06 -69.38 147.87 98.22 0.60 1.18 37.18 39.54 21.56 0.25 0.89 0.00 0.31 0.27 84 H C C 127.64 5.22 10.17 17.15 113.87 -88.67 -87.76 132.02 89.35 9.29 1.36 47.83 19.85 22.18 0.28 1.13 0.00 7.26 1.47 85 R C C 110.03 6.33 11.89 20.19 125.55 -173.56 -122.17 145.20 69.30 30.04 0.65 58.71 9.82 0.65 0.41 0.36 0.00 21.96 8.10 86 R E C 114.92 4.07 14.60 19.84 118.83 -122.39 -82.11 152.99 41.77 57.87 0.36 39.80 1.20 0.09 0.34 0.08 0.00 24.11 34.38 87 L H H 77.94 9.14 10.78 21.36 91.82 -117.54 -59.27 -38.90 5.55 0.08 94.37 1.13 0.75 3.42 80.74 13.88 0.01 0.06 0.02 88 E H H 118.08 3.02 13.49 17.65 91.78 55.39 -63.26 -39.14 2.04 0.02 97.94 0.20 0.16 1.49 82.67 15.46 0.00 0.01 0.00 89 E H H 115.06 1.85 14.39 16.26 92.48 50.23 -67.04 -37.14 1.24 0.01 98.76 0.11 0.09 0.91 81.33 17.56 0.00 0.00 0.00 90 Q H H 80.05 6.87 11.53 19.90 93.40 49.67 -70.46 -34.27 4.50 0.02 95.48 0.39 0.34 3.29 82.81 13.14 0.00 0.01 0.00 91 L H H 72.55 8.22 9.91 19.39 95.50 54.00 -80.38 -14.56 25.72 0.27 74.01 4.39 2.88 17.01 58.75 16.60 0.08 0.13 0.17 92 G C T 50.01 2.57 11.99 15.99 92.36 76.81 -65.42 -25.10 51.73 0.30 47.97 4.49 3.79 41.55 31.32 18.43 0.04 0.15 0.23 93 H C T 137.85 2.07 12.24 15.02 96.97 54.43 -89.45 -3.94 57.62 0.54 41.85 7.35 5.33 43.35 23.19 20.11 0.04 0.28 0.35 94 L C C 81.88 8.42 8.20 17.81 109.17 93.87 -80.85 119.34 62.05 5.65 32.29 36.55 12.90 13.16 19.22 12.62 0.08 2.81 2.67 95 L C C 113.26 2.87 11.40 15.56 110.60 -153.29 -92.90 109.87 71.18 8.65 20.17 52.08 7.52 10.60 14.78 6.19 0.02 5.23 3.58 96 V C C 93.84 5.53 8.60 15.74 106.74 171.94 -93.72 59.65 75.52 6.48 18.01 49.11 13.11 12.66 13.54 5.27 0.02 3.96 2.33 97 T C C 105.01 1.87 9.80 12.68 103.86 94.99 -96.97 -4.31 79.93 4.56 15.51 45.98 18.68 15.06 10.94 4.96 0.01 2.86 1.50 98 R C C 160.37 2.52 8.49 12.81 114.76 98.29 -93.29 129.89 86.21 3.09 10.70 51.97 24.80 9.78 5.76 4.69 0.00 1.89 1.11 99 K C C 152.21 2.24 8.58 12.51 111.43 -143.68 -92.53 120.43 86.65 4.21 9.14 65.57 11.11 10.04 4.08 4.80 0.00 2.81 1.58 100 W C C 176.61 3.69 6.47 11.93 107.92 -140.92 -90.19 92.85 92.11 2.93 4.96 83.05 1.99 7.95 2.18 1.86 0.00 1.67 1.31 101 S C C 87.45 1.79 10.46 13.40 109.08 -148.92 -89.56 121.89 99.88 0.08 0.04 99.73 0.11 0.09 0.01 0.00 0.00 0.04 0.01