# 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 100.90 6.92 10.82 19.09 114.54 -153.52 -89.65 133.23 99.97 0.02 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.00 0.00 1 R C C 156.37 2.73 10.38 14.56 110.13 -151.50 -89.55 119.83 83.43 2.58 13.99 79.04 1.45 4.00 10.87 2.13 0.00 1.21 1.30 2 W C C 158.28 4.70 8.00 14.27 102.00 -129.24 -81.65 -6.75 61.43 2.75 35.82 39.57 10.64 11.55 28.13 7.48 0.02 1.45 1.15 3 R C H 151.75 2.80 10.39 14.54 101.10 80.75 -79.35 -24.89 53.77 2.23 44.00 34.01 10.82 9.35 36.71 7.04 0.02 1.32 0.73 4 D H H 84.71 3.76 10.30 15.59 103.52 67.57 -79.11 0.27 48.92 1.38 49.71 36.01 7.61 5.94 43.04 6.17 0.01 0.82 0.41 5 R H H 140.44 3.65 10.56 15.78 95.88 83.53 -69.22 -28.94 25.24 1.26 73.50 14.58 4.58 7.67 62.50 9.43 0.03 0.84 0.37 6 I H H 105.62 2.65 11.25 14.98 95.44 54.26 -70.18 -34.22 18.18 1.19 80.62 8.68 3.24 7.06 66.92 12.84 0.05 0.91 0.29 7 A H H 61.29 3.94 11.20 16.73 95.00 56.21 -69.41 -32.33 17.65 1.84 80.52 8.58 2.88 6.65 64.65 15.34 0.07 1.46 0.37 8 V H H 82.99 5.36 10.52 17.35 95.27 55.05 -74.85 -26.63 21.54 2.89 75.56 9.40 3.80 8.95 58.10 16.74 0.14 2.24 0.63 9 L H H 114.91 2.73 11.76 15.65 96.63 56.95 -75.34 -23.48 39.44 2.84 57.71 12.41 6.79 20.33 43.00 14.47 0.20 1.92 0.88 10 C C T 94.71 2.26 12.22 15.35 101.53 48.66 -95.49 0.72 62.63 1.68 35.69 19.81 10.71 32.54 24.11 11.10 0.06 0.86 0.83 11 F C S 83.26 9.82 7.59 18.39 118.72 99.63 -91.68 140.41 98.37 0.62 1.01 33.89 63.52 1.02 0.81 0.17 0.00 0.18 0.40 12 P C C 77.67 3.02 13.34 17.36 113.57 -103.63 -65.88 149.59 97.90 0.11 1.99 91.15 4.77 2.06 1.53 0.37 0.00 0.04 0.07 13 P C H 105.36 2.71 11.99 16.13 99.73 -101.61 -62.15 -26.61 51.73 0.19 48.08 11.10 7.56 32.87 41.65 6.57 0.02 0.07 0.16 14 G H H 44.05 3.87 13.34 18.19 96.46 47.18 -55.87 -29.93 47.26 0.24 52.50 7.90 6.59 32.25 47.12 5.82 0.04 0.10 0.18 15 L H H 81.02 5.46 12.51 19.42 94.30 59.35 -69.99 -37.07 20.47 0.40 79.12 11.73 3.11 6.33 74.04 4.42 0.01 0.20 0.16 16 M H H 96.07 4.11 14.38 19.63 93.00 54.48 -65.04 -40.97 3.33 0.05 96.62 1.95 0.44 0.98 95.98 0.61 0.00 0.03 0.01 17 L H H 90.38 4.07 15.84 20.75 92.61 50.29 -65.98 -40.50 1.16 0.04 98.79 0.58 0.13 0.44 98.46 0.37 0.00 0.03 0.00 18 T H H 55.79 6.96 15.28 23.42 92.60 50.39 -65.42 -41.60 0.55 0.02 99.43 0.27 0.05 0.21 99.25 0.20 0.00 0.02 0.00 19 V H H 74.89 3.83 17.71 22.06 92.44 49.90 -64.78 -42.00 0.26 0.00 99.74 0.09 0.02 0.11 99.71 0.07 0.00 0.00 0.00 20 A H H 50.82 3.44 17.87 21.68 92.01 50.42 -64.20 -41.55 0.17 0.00 99.83 0.04 0.01 0.09 99.82 0.04 0.00 0.00 0.00 21 A H H 36.59 7.67 15.51 24.87 92.06 50.92 -64.27 -41.24 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 22 L H H 78.79 6.24 17.21 24.20 92.00 50.55 -64.45 -41.24 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 23 I H H 94.84 2.42 18.76 20.66 91.89 50.05 -64.11 -41.62 0.07 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 24 L H H 80.45 4.72 17.49 22.98 91.81 50.15 -64.76 -41.46 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 25 F H H 78.34 8.92 15.59 25.48 91.90 50.13 -64.53 -41.51 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 26 F H H 114.31 3.71 17.99 21.98 92.11 49.80 -64.79 -41.42 0.20 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 27 I H H 95.39 2.60 18.87 20.98 91.99 49.31 -64.85 -42.12 0.38 0.00 99.62 0.03 0.02 0.27 99.62 0.05 0.00 0.00 0.00 28 H H H 77.62 7.85 17.13 26.04 92.20 48.86 -65.33 -40.83 1.03 0.01 98.96 0.10 0.05 0.77 98.97 0.11 0.00 0.00 0.00 29 M H H 75.46 7.83 17.42 26.06 92.08 50.08 -64.93 -40.11 0.78 0.00 99.22 0.11 0.06 0.48 99.24 0.11 0.00 0.00 0.00 30 G H H 34.23 3.65 18.64 22.72 92.02 52.22 -63.67 -41.40 0.80 0.00 99.20 0.14 0.07 0.49 99.15 0.16 0.00 0.00 0.00 31 V H H 71.20 4.65 19.31 24.26 92.10 49.23 -64.70 -42.10 0.79 0.00 99.20 0.11 0.06 0.53 99.14 0.16 0.00 0.00 0.00 32 F H H 79.52 8.63 17.76 27.32 92.03 49.16 -64.76 -41.52 0.77 0.00 99.22 0.11 0.06 0.50 99.15 0.17 0.00 0.00 0.00 33 A H H 47.25 5.58 18.34 24.87 91.69 50.73 -63.79 -41.29 1.23 0.00 98.76 0.21 0.10 0.78 98.66 0.24 0.00 0.00 0.00 34 S H H 57.89 3.30 19.64 22.85 91.96 51.17 -64.88 -40.50 3.02 0.01 96.97 0.37 0.22 2.29 96.77 0.32 0.01 0.00 0.00 35 D H H 56.92 7.68 17.44 26.22 92.27 50.87 -65.33 -40.69 2.59 0.01 97.40 0.48 0.27 1.67 97.21 0.36 0.01 0.00 0.00 36 V H H 60.48 7.92 17.18 26.14 92.04 51.03 -64.41 -41.96 1.11 0.01 98.88 0.21 0.12 0.69 98.63 0.34 0.01 0.00 0.00 37 H H H 106.44 3.08 18.93 21.99 91.87 49.75 -64.22 -41.32 1.30 0.01 98.69 0.22 0.12 0.88 98.19 0.59 0.01 0.00 0.00 38 N H H 76.55 4.01 17.61 22.30 92.11 50.12 -65.20 -40.80 2.15 0.01 97.84 0.28 0.17 1.57 96.87 1.09 0.01 0.01 0.00 39 F H H 78.40 8.15 14.90 24.36 92.54 50.31 -65.55 -40.39 3.57 0.02 96.41 0.39 0.29 2.74 94.75 1.80 0.01 0.01 0.00 40 C H H 63.37 5.25 15.22 21.74 92.77 51.03 -66.12 -39.22 8.65 0.05 91.30 0.94 0.78 6.72 89.13 2.35 0.03 0.02 0.02 41 V H H 93.76 2.12 16.08 18.03 94.19 46.15 -70.55 -37.40 17.55 0.18 82.27 2.45 2.23 13.11 79.53 2.43 0.07 0.08 0.10 42 I H H 85.54 4.97 13.31 19.63 97.94 46.59 -80.63 -27.69 34.08 0.76 65.16 11.63 7.13 16.59 61.38 2.48 0.07 0.30 0.41 43 H C H 106.02 6.63 11.64 19.52 97.64 64.15 -75.42 -19.31 54.29 0.95 44.75 24.30 11.30 19.01 41.20 3.28 0.03 0.38 0.50 44 N C C 106.41 2.92 12.91 16.81 100.79 61.06 -83.36 -9.86 62.63 0.75 36.62 35.21 10.26 16.95 32.20 4.63 0.01 0.31 0.42 45 Y C H 135.53 4.28 11.65 17.46 104.81 72.20 -81.83 5.31 60.33 0.61 39.06 22.84 12.73 25.41 31.77 6.59 0.02 0.25 0.39 46 D C H 87.15 4.91 12.72 18.83 103.44 53.32 -82.44 24.60 63.39 0.50 36.11 29.89 10.30 23.51 29.97 5.79 0.01 0.20 0.33 47 H H H 112.51 5.66 12.54 19.53 97.57 87.76 -71.85 -26.81 39.70 0.55 59.76 21.56 9.15 10.37 52.48 5.91 0.02 0.23 0.29 48 M H H 107.94 3.05 14.84 18.52 95.26 61.60 -70.05 -35.34 30.22 0.54 69.24 16.21 5.97 9.17 62.74 5.40 0.02 0.27 0.23 49 S H H 48.16 6.15 14.59 22.13 94.51 53.67 -69.34 -36.75 23.10 0.39 76.51 13.13 3.65 7.26 70.81 4.78 0.01 0.21 0.15 50 F H H 83.77 9.93 13.94 24.63 93.81 54.77 -66.47 -39.11 11.15 0.11 88.74 4.47 1.90 5.06 85.32 3.15 0.01 0.05 0.05 51 R H H 138.25 3.45 17.60 21.75 92.96 52.41 -65.38 -39.19 8.02 0.05 91.93 2.57 1.05 4.30 90.26 1.77 0.01 0.02 0.02 52 Y H H 124.50 3.33 18.45 21.66 92.94 49.65 -66.85 -39.75 3.81 0.02 96.16 1.34 0.50 1.84 95.51 0.78 0.00 0.01 0.01 53 T H H 39.22 10.75 16.12 28.00 92.86 50.37 -65.21 -41.77 1.48 0.02 98.50 0.62 0.18 0.61 98.31 0.27 0.00 0.01 0.00 54 V H H 52.22 10.29 17.42 28.46 92.28 50.14 -64.55 -41.79 0.63 0.00 99.36 0.19 0.06 0.31 99.30 0.14 0.00 0.00 0.00 55 V H H 78.32 3.46 20.50 23.67 91.96 50.05 -64.74 -42.20 0.38 0.00 99.61 0.09 0.03 0.20 99.58 0.10 0.00 0.00 0.00 56 L H H 72.21 6.47 19.31 26.44 91.92 49.09 -64.71 -42.01 0.52 0.00 99.48 0.09 0.03 0.30 99.45 0.12 0.00 0.00 0.00 57 I H H 44.87 13.96 17.00 31.27 92.06 49.22 -64.49 -41.30 0.83 0.00 99.17 0.12 0.05 0.53 99.13 0.16 0.00 0.00 0.00 58 F H H 96.09 7.89 19.98 28.21 92.08 49.67 -64.43 -40.88 1.23 0.00 98.77 0.20 0.10 0.75 98.67 0.28 0.00 0.00 0.00 59 S H H 57.32 4.19 21.52 25.33 92.20 49.15 -66.03 -40.00 3.31 0.01 96.69 0.31 0.17 2.53 96.69 0.30 0.00 0.00 0.00 60 Q H H 64.60 10.96 19.74 30.90 92.85 48.82 -66.87 -39.39 4.42 0.01 95.57 0.34 0.26 3.47 95.61 0.30 0.00 0.00 0.00 61 V H H 34.53 15.61 18.91 34.30 92.33 49.95 -64.30 -42.95 1.58 0.01 98.41 0.35 0.19 0.85 98.44 0.17 0.00 0.00 0.00 62 I H H 79.96 6.30 22.93 29.32 91.83 49.29 -64.20 -41.78 0.94 0.00 99.05 0.32 0.08 0.42 99.07 0.12 0.00 0.00 0.00 63 S H H 46.42 6.15 22.34 28.68 91.99 50.45 -64.43 -41.64 1.02 0.01 98.98 0.32 0.08 0.52 98.91 0.16 0.00 0.00 0.00 64 I H H 46.71 13.99 20.90 34.64 92.19 48.74 -65.04 -41.93 0.47 0.00 99.52 0.08 0.03 0.30 99.49 0.10 0.00 0.00 0.00 65 G H H 20.25 13.03 20.99 33.99 91.95 50.59 -64.01 -42.22 0.50 0.00 99.49 0.07 0.03 0.33 99.49 0.09 0.00 0.00 0.00 66 W H H 134.14 4.16 25.02 28.95 91.80 49.42 -64.80 -41.80 0.62 0.00 99.38 0.06 0.03 0.42 99.40 0.07 0.00 0.00 0.00 67 A H H 37.48 9.19 21.92 31.63 91.86 50.72 -64.07 -41.71 0.53 0.00 99.47 0.05 0.03 0.36 99.49 0.07 0.00 0.00 0.00 68 A H H 24.50 14.67 20.18 34.93 92.04 50.36 -64.43 -41.91 0.84 0.00 99.16 0.10 0.05 0.59 99.14 0.12 0.00 0.00 0.00 69 M H H 80.40 7.07 23.89 31.08 91.68 50.15 -63.66 -41.86 0.81 0.00 99.19 0.09 0.04 0.57 99.16 0.14 0.00 0.00 0.00 70 G H H 28.76 5.89 22.20 28.45 91.77 51.09 -63.76 -41.42 0.96 0.00 99.04 0.11 0.06 0.66 99.02 0.15 0.00 0.00 0.00 71 S H H 29.06 12.47 18.91 31.99 92.17 51.21 -64.91 -41.44 1.06 0.00 98.94 0.13 0.07 0.74 98.89 0.17 0.00 0.00 0.00 72 L H H 59.59 9.57 19.81 29.88 91.90 50.24 -63.82 -42.35 0.63 0.00 99.37 0.07 0.04 0.44 99.30 0.15 0.00 0.00 0.00 73 Y H H 114.24 3.54 20.71 23.97 91.71 49.95 -63.69 -41.82 0.75 0.00 99.24 0.10 0.06 0.49 99.10 0.24 0.00 0.00 0.00 74 A H H 30.78 7.26 15.14 24.42 91.87 50.58 -64.05 -40.56 1.39 0.00 98.60 0.20 0.12 0.92 98.29 0.46 0.00 0.00 0.00 75 E H H 81.07 9.00 14.05 24.09 92.39 50.10 -66.06 -38.96 3.52 0.01 96.46 0.36 0.28 2.67 95.87 0.81 0.01 0.00 0.00 76 M H H 125.33 2.98 15.29 18.82 92.53 49.88 -68.40 -33.02 9.97 0.01 90.01 0.62 0.74 8.16 89.71 0.74 0.01 0.00 0.01 77 T H H 88.09 2.35 13.81 16.45 95.79 47.63 -88.73 -11.34 34.48 0.10 65.42 3.46 5.61 23.89 66.09 0.83 0.02 0.02 0.07 78 G C C 53.10 3.03 12.88 17.35 97.76 -118.66 75.71 17.13 98.77 0.17 1.06 41.76 17.19 39.97 0.59 0.33 0.00 0.06 0.10 79 D C C 71.10 5.50 11.30 18.70 106.35 147.80 -91.09 98.71 98.09 0.19 1.72 93.83 3.36 1.01 1.38 0.23 0.00 0.05 0.14 80 K H H 133.16 3.66 12.98 18.55 94.54 -173.29 -66.65 -34.46 9.57 0.03 90.40 3.38 1.79 4.25 88.77 1.79 0.00 0.01 0.01 81 F H H 136.16 2.22 15.69 17.98 92.39 54.35 -64.76 -41.04 4.68 0.01 95.31 0.67 0.45 3.23 93.72 1.93 0.00 0.00 0.00 82 L H H 63.40 7.58 14.35 23.47 92.47 48.22 -66.32 -40.40 1.95 0.01 98.04 0.41 0.18 1.15 96.02 2.22 0.00 0.00 0.00 83 R H H 96.57 8.60 15.08 24.66 92.17 51.87 -63.43 -41.36 0.97 0.00 99.03 0.20 0.08 0.55 97.69 1.47 0.00 0.00 0.00 84 C H H 67.08 3.13 18.59 21.67 91.96 49.73 -64.91 -41.45 1.49 0.00 98.51 0.18 0.09 1.03 96.99 1.71 0.00 0.00 0.00 85 F H H 101.49 4.74 19.07 24.21 92.20 49.94 -65.22 -41.42 2.17 0.00 97.83 0.17 0.12 1.68 96.39 1.63 0.00 0.00 0.00 86 A H H 27.95 11.35 15.61 28.22 91.88 51.53 -64.04 -41.50 4.51 0.01 95.48 0.36 0.24 3.58 94.87 0.93 0.00 0.00 0.00 87 L H H 79.98 5.56 19.69 25.64 92.17 50.26 -65.12 -40.79 6.83 0.01 93.15 0.63 0.39 5.16 93.25 0.56 0.00 0.00 0.00 88 T H H 64.55 4.30 19.78 24.21 92.07 50.29 -64.95 -41.97 1.98 0.01 98.01 0.58 0.20 0.92 98.04 0.26 0.00 0.00 0.00 89 I H H 55.44 10.28 17.33 28.58 92.31 49.41 -64.94 -41.76 1.19 0.01 98.80 0.33 0.10 0.59 98.71 0.26 0.00 0.00 0.00 90 L H H 66.91 9.00 17.93 27.56 92.23 49.82 -64.55 -41.20 1.16 0.01 98.84 0.30 0.09 0.63 98.61 0.36 0.00 0.00 0.00 91 I H H 97.27 3.05 20.44 22.87 92.19 48.42 -65.21 -41.43 1.40 0.01 98.59 0.25 0.10 0.88 98.42 0.34 0.00 0.00 0.00 92 L H H 73.18 6.17 18.76 25.63 92.15 49.09 -65.60 -41.28 1.62 0.01 98.37 0.37 0.16 0.89 98.27 0.29 0.00 0.00 0.00 93 N H H 52.78 11.36 16.73 28.74 92.18 50.94 -64.76 -40.71 2.35 0.01 97.64 0.39 0.18 1.51 97.60 0.32 0.00 0.00 0.00 94 G H H 32.09 5.44 18.93 24.82 92.08 51.26 -63.90 -41.17 2.80 0.00 97.19 0.29 0.18 2.02 97.10 0.42 0.00 0.00 0.00 95 A H H 52.40 3.59 19.47 23.17 91.83 50.43 -64.73 -41.17 1.74 0.00 98.26 0.28 0.14 1.07 98.02 0.49 0.00 0.00 0.00 96 M H H 62.24 9.00 16.62 26.88 92.06 50.66 -64.93 -40.75 1.95 0.01 98.05 0.30 0.15 1.28 97.43 0.84 0.00 0.00 0.00 97 F H H 86.32 8.32 16.70 25.83 91.98 50.61 -64.37 -41.42 3.04 0.01 96.95 0.43 0.23 2.16 95.85 1.32 0.00 0.00 0.00 98 F H H 123.00 2.98 18.66 21.13 92.09 49.30 -65.76 -39.86 3.96 0.01 96.03 0.55 0.33 2.79 95.06 1.24 0.01 0.00 0.00 99 N H H 80.77 4.59 17.31 22.65 93.39 49.63 -69.11 -35.03 7.85 0.02 92.13 1.08 0.64 5.59 91.55 1.11 0.01 0.00 0.01 100 R H H 93.20 9.25 15.54 25.55 92.98 53.81 -65.74 -39.90 7.97 0.02 92.01 1.14 0.76 5.54 91.49 1.04 0.01 0.01 0.01 101 L H H 80.31 5.08 17.41 23.12 92.31 50.89 -64.52 -41.00 5.70 0.02 94.28 1.16 0.63 3.48 93.86 0.85 0.00 0.01 0.01 102 C H H 66.25 2.95 18.01 21.01 91.86 51.10 -64.31 -41.11 4.37 0.01 95.62 1.32 0.43 2.31 95.20 0.72 0.00 0.01 0.01 103 L H H 73.77 6.11 16.79 23.96 92.14 49.95 -65.50 -40.49 1.52 0.00 98.47 0.41 0.14 0.79 98.30 0.35 0.00 0.00 0.00 104 E H H 82.72 7.34 16.34 24.63 91.87 51.20 -63.84 -41.39 0.63 0.00 99.37 0.16 0.05 0.31 99.31 0.16 0.00 0.00 0.00 105 F H H 113.12 3.02 18.48 21.09 91.99 49.71 -64.76 -41.64 0.43 0.00 99.57 0.08 0.03 0.24 99.52 0.12 0.00 0.00 0.00 106 L H H 79.86 3.27 17.99 21.57 91.77 50.04 -64.50 -41.67 0.36 0.00 99.64 0.06 0.02 0.20 99.62 0.09 0.00 0.00 0.00 107 A H H 34.93 7.27 15.11 24.11 91.76 50.77 -63.88 -41.82 0.47 0.00 99.53 0.07 0.03 0.28 99.51 0.11 0.00 0.00 0.00 108 I H H 75.88 4.48 16.30 21.56 91.81 49.21 -64.33 -41.53 0.68 0.00 99.32 0.10 0.05 0.43 99.26 0.17 0.00 0.00 0.00 109 N H H 86.18 2.06 16.61 18.34 91.83 50.38 -64.67 -40.73 1.50 0.00 98.50 0.20 0.10 1.00 98.38 0.31 0.00 0.00 0.00 110 Y H H 105.67 3.45 13.93 18.52 92.28 49.50 -65.41 -40.34 3.56 0.01 96.43 0.66 0.32 2.33 95.92 0.76 0.00 0.00 0.01 111 R H H 111.45 4.47 12.16 18.00 92.18 51.50 -64.73 -39.66 4.65 0.02 95.33 1.18 0.52 2.70 93.88 1.69 0.00 0.01 0.01 112 E H H 121.98 2.01 12.02 14.57 92.27 51.07 -66.39 -36.49 10.20 0.03 89.77 1.63 0.93 7.14 87.09 3.18 0.01 0.01 0.01 113 E H H 134.81 1.39 10.71 12.60 93.15 52.68 -70.28 -28.12 25.27 0.06 74.67 4.04 2.24 18.36 72.50 2.78 0.01 0.02 0.04 114 R C H 163.69 1.95 9.83 12.82 96.76 51.58 -84.10 -10.90 55.86 0.14 44.00 25.06 1.36 27.43 44.28 1.71 0.00 0.05 0.11 115 H C C 131.27 3.49 9.85 14.91 104.50 76.71 -85.04 43.44 99.97 0.01 0.02 99.87 0.05 0.06 0.01 0.00 0.00 0.00 0.00