# 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 108.07 6.73 11.43 19.50 115.20 156.16 -93.93 134.60 99.95 0.04 0.01 99.89 0.06 0.03 0.00 0.00 0.00 0.02 0.00 1 D C C 112.49 2.26 12.10 15.60 109.66 -135.46 -85.00 116.77 97.66 0.90 1.43 94.69 0.86 2.50 0.75 0.33 0.00 0.43 0.44 2 L C C 100.29 6.78 8.61 16.87 108.38 -159.22 -89.01 101.12 96.13 0.68 3.19 75.88 15.63 4.50 2.28 0.91 0.00 0.27 0.52 3 D C C 84.25 3.57 12.76 17.52 113.89 102.22 -84.59 141.72 94.73 0.23 5.04 83.31 8.57 2.25 5.11 0.53 0.00 0.07 0.17 4 P H H 92.15 3.76 12.82 17.85 94.11 -112.82 -63.10 -34.29 22.75 0.08 77.17 5.39 3.87 13.17 75.33 2.16 0.01 0.03 0.05 5 N H H 87.54 5.84 13.68 20.56 93.48 54.07 -68.59 -34.92 15.38 0.05 84.57 3.34 2.04 9.49 83.42 1.65 0.01 0.02 0.03 6 A H H 45.13 6.52 13.54 21.64 93.11 55.35 -66.09 -39.39 5.23 0.04 94.74 2.34 0.76 2.09 93.58 1.18 0.00 0.02 0.01 7 I H H 95.02 3.42 17.50 21.20 92.60 51.05 -65.41 -41.43 1.60 0.02 98.39 0.69 0.21 0.63 98.04 0.41 0.00 0.01 0.00 8 I H H 75.09 7.15 17.51 25.21 92.23 49.42 -65.05 -41.94 0.90 0.01 99.09 0.31 0.10 0.39 98.96 0.23 0.00 0.00 0.00 9 T H H 53.52 9.65 17.46 27.75 92.30 50.07 -65.01 -41.43 0.77 0.01 99.22 0.21 0.07 0.38 99.17 0.17 0.00 0.00 0.00 10 A H H 52.75 4.85 19.98 25.02 91.69 50.87 -63.83 -41.67 0.69 0.00 99.31 0.11 0.04 0.40 99.30 0.14 0.00 0.00 0.00 11 G H H 34.74 4.41 21.06 25.70 91.63 50.01 -64.47 -40.74 0.87 0.00 99.13 0.11 0.05 0.56 99.13 0.15 0.00 0.00 0.00 12 A H H 32.98 12.11 17.90 30.40 92.02 51.41 -64.42 -41.23 0.98 0.00 99.02 0.10 0.05 0.65 99.04 0.16 0.00 0.00 0.00 13 L H H 77.31 9.03 20.46 29.72 91.53 50.44 -63.72 -41.72 1.03 0.00 98.97 0.12 0.06 0.66 98.97 0.19 0.00 0.00 0.00 14 I H H 101.20 2.74 24.08 25.83 91.43 48.42 -63.95 -42.15 0.80 0.00 99.20 0.10 0.05 0.48 99.22 0.14 0.00 0.00 0.00 15 G H H 27.64 6.94 21.41 28.85 91.89 49.54 -64.39 -42.30 0.84 0.00 99.16 0.10 0.04 0.52 99.18 0.16 0.00 0.00 0.00 16 G H H 17.39 13.64 18.52 32.64 91.99 50.90 -64.03 -41.77 0.93 0.00 99.07 0.08 0.05 0.65 99.04 0.18 0.00 0.00 0.00 17 G H H 31.48 7.19 21.31 28.99 91.53 51.07 -63.65 -41.55 0.78 0.00 99.22 0.09 0.04 0.49 99.20 0.19 0.00 0.00 0.00 18 L H H 95.26 3.23 24.20 26.87 91.65 49.65 -64.50 -41.91 0.73 0.00 99.26 0.08 0.04 0.49 99.16 0.24 0.00 0.00 0.00 19 I H H 63.73 10.48 21.16 31.64 91.82 49.05 -64.73 -42.07 1.18 0.00 98.81 0.11 0.07 0.85 98.65 0.31 0.00 0.00 0.00 20 M H H 65.70 13.11 20.79 33.53 91.78 49.86 -64.14 -41.89 1.44 0.00 98.56 0.15 0.09 1.01 98.45 0.30 0.00 0.00 0.00 21 G H H 36.22 4.41 23.77 28.04 91.77 50.20 -63.65 -42.56 1.79 0.00 98.21 0.18 0.11 1.27 98.02 0.41 0.00 0.00 0.00 22 G H H 34.55 4.67 24.15 28.73 91.84 49.24 -64.40 -41.89 1.92 0.00 98.08 0.15 0.12 1.49 97.63 0.61 0.00 0.00 0.00 23 G H H 16.07 14.57 18.70 33.57 92.06 50.87 -64.42 -41.68 2.41 0.00 97.58 0.21 0.16 1.88 97.05 0.70 0.00 0.00 0.00 24 A H H 46.01 9.56 21.70 31.46 91.73 50.82 -64.23 -41.62 2.98 0.01 97.02 0.30 0.20 2.23 96.69 0.57 0.00 0.00 0.00 25 I H H 102.52 2.30 25.90 26.80 91.55 48.95 -64.47 -42.16 1.89 0.00 98.11 0.25 0.16 1.21 98.08 0.29 0.00 0.00 0.00 26 G H H 25.85 8.01 21.62 30.22 91.73 49.96 -64.32 -42.33 1.44 0.00 98.55 0.24 0.11 0.84 98.57 0.23 0.00 0.00 0.00 27 A H H 27.17 14.54 18.32 33.11 91.40 50.63 -63.79 -41.25 1.19 0.00 98.81 0.14 0.08 0.76 98.78 0.23 0.00 0.00 0.00 28 G H H 35.62 5.24 22.83 28.19 91.77 50.72 -63.74 -42.12 1.22 0.00 98.78 0.16 0.08 0.78 98.79 0.19 0.00 0.00 0.00 29 I H H 98.35 2.74 24.63 26.12 91.74 48.27 -64.72 -42.11 0.59 0.00 99.41 0.07 0.04 0.35 99.45 0.09 0.00 0.00 0.00 30 G H H 18.35 11.76 18.71 31.36 91.77 50.28 -63.94 -42.51 0.40 0.00 99.60 0.04 0.02 0.24 99.63 0.06 0.00 0.00 0.00 31 D H H 57.26 11.22 19.80 31.21 91.58 50.25 -63.94 -40.95 0.37 0.00 99.63 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 32 G H H 38.60 3.23 22.49 25.19 91.90 50.89 -63.91 -42.38 0.40 0.00 99.60 0.04 0.02 0.24 99.63 0.06 0.00 0.00 0.00 33 I H H 90.55 4.25 22.50 26.23 91.96 48.28 -65.25 -41.51 0.44 0.00 99.56 0.04 0.02 0.29 99.59 0.06 0.00 0.00 0.00 34 A H H 30.79 11.77 17.92 30.52 91.68 49.95 -64.01 -41.86 0.51 0.00 99.49 0.04 0.02 0.34 99.52 0.06 0.00 0.00 0.00 35 G H H 28.57 7.46 19.18 27.64 91.79 50.77 -63.44 -42.13 0.65 0.00 99.35 0.06 0.03 0.42 99.41 0.08 0.00 0.00 0.00 36 N H H 93.33 2.27 22.61 23.56 91.86 49.72 -64.72 -40.90 0.43 0.00 99.57 0.04 0.02 0.27 99.61 0.07 0.00 0.00 0.00 37 A H H 50.80 6.19 19.98 26.65 92.12 50.53 -65.23 -40.74 0.48 0.00 99.52 0.04 0.02 0.32 99.53 0.08 0.00 0.00 0.00 38 L H H 57.65 12.15 17.10 29.65 91.99 50.57 -64.04 -41.58 0.65 0.00 99.35 0.06 0.03 0.43 99.38 0.10 0.00 0.00 0.00 39 I H H 90.68 3.91 20.17 24.15 91.81 49.37 -64.08 -41.81 0.64 0.00 99.36 0.08 0.04 0.37 99.42 0.09 0.00 0.00 0.00 40 S H H 59.58 2.29 20.79 21.86 91.77 49.52 -64.69 -40.88 0.91 0.00 99.08 0.09 0.05 0.60 99.09 0.17 0.00 0.00 0.00 41 G H H 15.45 9.21 14.59 26.03 91.63 51.31 -63.90 -40.68 1.34 0.00 98.66 0.11 0.08 0.98 98.39 0.44 0.00 0.00 0.00 42 I H H 63.46 9.00 13.82 24.27 91.98 51.09 -65.86 -37.64 1.78 0.00 98.22 0.11 0.11 1.42 97.59 0.77 0.00 0.00 0.00 43 A H H 78.47 1.73 15.93 17.40 92.00 53.89 -67.84 -32.61 6.64 0.00 93.36 0.16 0.21 6.27 92.71 0.65 0.00 0.00 0.00 44 R H H 162.67 1.61 14.70 16.16 95.48 43.64 -79.90 -27.54 18.07 0.01 81.91 0.30 1.18 16.43 81.56 0.49 0.01 0.00 0.01 45 Q C C 75.39 6.81 10.66 19.35 112.40 26.97 -132.15 80.85 99.82 0.05 0.14 88.07 11.56 0.19 0.08 0.03 0.00 0.01 0.05 46 P H G 92.26 3.97 11.51 17.81 92.94 174.77 -61.59 -31.67 9.40 0.02 90.59 0.81 0.51 6.68 2.86 89.12 0.00 0.01 0.00 47 E H G 152.24 0.93 14.92 14.93 90.44 61.83 -69.90 -18.94 8.09 0.01 91.90 0.37 0.40 6.46 2.81 89.95 0.00 0.01 0.00 48 A H G 28.80 10.84 10.29 22.85 95.65 58.51 -89.66 -5.06 7.66 0.02 92.31 1.61 0.68 4.08 4.99 88.61 0.00 0.02 0.00 49 Q H H 84.02 10.22 12.08 23.49 92.47 97.86 -58.71 -42.12 5.70 0.01 94.29 1.24 0.62 3.32 84.15 10.66 0.00 0.00 0.01 50 G H H 52.08 1.25 17.59 17.52 91.95 50.05 -63.32 -38.24 3.97 0.01 96.03 0.32 0.21 2.95 85.20 11.30 0.00 0.00 0.00 51 R H H 139.82 2.51 17.41 19.93 92.45 50.48 -68.20 -39.04 3.19 0.01 96.80 0.32 0.20 2.30 86.38 10.78 0.00 0.01 0.00 52 L H H 33.93 15.10 12.30 27.73 92.81 50.03 -66.94 -39.37 6.03 0.03 93.94 0.79 0.55 4.44 86.99 7.20 0.01 0.02 0.01 53 F H H 100.09 7.85 17.01 25.69 92.11 52.20 -65.59 -39.63 5.39 0.02 94.59 1.09 0.77 3.35 93.74 1.03 0.00 0.01 0.01 54 T H H 75.49 2.02 19.80 20.46 91.99 51.63 -64.19 -42.54 2.79 0.01 97.20 1.21 0.39 1.16 96.73 0.50 0.00 0.01 0.01 55 P H H 57.52 6.14 17.98 25.26 91.95 49.28 -65.16 -40.20 1.52 0.01 98.47 0.51 0.11 0.80 98.00 0.58 0.00 0.00 0.00 56 F H H 52.79 14.67 14.57 29.47 91.90 50.72 -64.39 -40.76 0.81 0.01 99.18 0.17 0.06 0.49 98.74 0.53 0.00 0.00 0.00 57 F H H 116.07 4.40 18.87 24.02 91.89 50.30 -64.18 -41.01 0.67 0.02 99.31 0.14 0.06 0.42 99.13 0.23 0.00 0.01 0.00 58 I H H 103.80 1.86 20.95 21.24 91.85 48.68 -64.87 -41.92 0.68 0.02 99.30 0.18 0.07 0.39 99.23 0.11 0.00 0.01 0.01 59 T H H 42.78 9.66 17.82 28.61 92.28 48.56 -65.35 -41.44 0.64 0.01 99.35 0.17 0.06 0.35 99.29 0.12 0.00 0.00 0.00 60 V H H 39.29 13.20 16.72 30.51 91.76 50.95 -63.56 -41.72 0.40 0.00 99.60 0.05 0.02 0.26 99.50 0.16 0.00 0.00 0.00 61 G H H 35.52 3.49 20.54 24.03 91.46 50.78 -63.49 -41.36 0.81 0.00 99.19 0.08 0.03 0.61 99.10 0.18 0.00 0.00 0.00 62 L H H 91.16 3.21 21.75 24.41 91.98 49.04 -65.33 -41.35 0.93 0.00 99.07 0.10 0.05 0.68 99.01 0.16 0.00 0.00 0.00 63 V H H 30.07 14.14 16.91 31.74 91.96 49.58 -64.53 -41.87 0.50 0.00 99.50 0.09 0.03 0.29 99.48 0.11 0.00 0.00 0.00 64 E H H 78.00 8.83 19.50 28.91 91.79 51.17 -63.70 -40.82 0.96 0.00 99.04 0.10 0.04 0.66 99.05 0.14 0.00 0.00 0.00 65 A H H 56.53 2.47 21.66 23.03 91.48 51.03 -63.95 -40.99 1.04 0.00 98.96 0.10 0.05 0.71 99.02 0.13 0.00 0.00 0.00 66 A H H 38.51 8.09 18.52 27.76 91.83 51.20 -64.64 -41.01 0.35 0.00 99.65 0.06 0.02 0.19 99.65 0.08 0.00 0.00 0.00 67 Y H H 66.53 13.75 16.38 30.36 92.00 51.19 -64.26 -41.08 0.35 0.00 99.65 0.05 0.01 0.22 99.61 0.10 0.00 0.00 0.00 68 F H H 120.44 2.76 20.78 23.05 91.67 49.82 -64.17 -41.56 0.26 0.00 99.74 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 69 I H H 93.08 2.77 20.79 22.73 91.90 49.82 -64.49 -42.13 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 70 N H H 36.01 12.64 15.76 29.42 91.75 50.88 -64.30 -41.44 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 71 L H H 74.88 7.34 18.31 26.56 91.90 50.38 -64.08 -41.08 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 72 A H H 60.78 2.23 20.19 21.27 91.52 50.48 -64.12 -42.12 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 73 F H H 91.38 6.02 18.27 25.10 92.04 49.20 -65.42 -41.26 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 74 M H H 51.68 12.14 14.90 27.95 91.69 51.61 -64.00 -41.14 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 75 A H H 57.68 3.42 17.77 21.68 91.65 50.95 -63.88 -40.86 0.24 0.00 99.76 0.01 0.00 0.18 99.69 0.12 0.00 0.00 0.00 76 L H H 94.37 2.44 17.65 19.71 92.02 50.03 -65.41 -40.94 0.51 0.00 99.49 0.03 0.02 0.40 99.23 0.32 0.00 0.00 0.00 77 F H H 77.70 9.24 13.87 24.33 92.77 48.66 -66.80 -39.22 1.81 0.00 98.19 0.11 0.09 1.48 97.36 0.96 0.00 0.00 0.00 78 V H H 72.55 7.36 13.69 22.33 93.05 48.23 -69.44 -37.60 7.32 0.01 92.66 0.36 0.42 6.38 91.36 1.46 0.01 0.00 0.01 79 F H H 153.44 1.33 15.47 16.03 96.32 41.73 -83.10 -24.13 21.24 0.08 78.69 1.89 2.23 16.90 77.13 1.73 0.03 0.03 0.05 80 A H H 66.06 3.90 12.57 17.71 98.69 58.67 -81.88 -17.53 47.87 0.56 51.57 10.14 14.41 24.38 48.52 1.89 0.08 0.17 0.41 81 T C C 62.61 8.67 9.93 19.81 108.90 49.91 -111.08 92.27 95.63 0.96 3.40 57.70 34.42 3.60 2.04 1.12 0.00 0.32 0.80 82 P C T 88.71 4.50 11.48 17.94 106.71 -153.67 -67.53 125.32 90.13 0.59 9.28 25.64 10.88 53.86 1.96 7.03 0.00 0.30 0.33 83 G C T 56.63 2.44 12.88 16.20 99.79 14.10 78.78 1.30 89.63 1.17 9.20 23.91 10.75 55.33 1.80 7.04 0.00 0.67 0.49 84 L C C 92.18 7.41 8.37 17.13 108.08 121.69 -81.65 110.63 90.70 2.05 7.26 82.85 2.79 5.78 1.66 4.89 0.00 1.18 0.87 85 Q C C 133.97 2.60 13.64 17.61 110.82 -140.28 -85.47 120.01 99.90 0.09 0.02 99.86 0.06 0.03 0.00 0.00 0.00 0.04 0.01