# 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 103.22 5.93 12.55 19.69 103.00 141.58 -79.70 47.64 99.91 0.02 0.07 99.86 0.05 0.04 0.04 0.00 0.00 0.01 0.00 1 Q H H 121.76 2.52 11.24 14.97 95.28 90.52 -68.53 -36.98 35.94 0.19 63.87 31.83 0.77 3.65 62.56 1.04 0.00 0.06 0.09 2 L H H 115.77 1.53 11.91 13.75 93.83 56.34 -66.23 -38.66 12.07 0.07 87.86 6.52 1.59 4.10 86.20 1.51 0.00 0.03 0.03 3 V H H 78.31 4.11 12.62 18.13 93.01 50.52 -65.87 -40.34 5.45 0.05 94.50 2.86 0.71 2.04 92.70 1.64 0.00 0.03 0.02 4 L H H 79.67 4.66 13.79 19.95 92.34 50.92 -65.09 -40.75 2.71 0.02 97.26 1.18 0.37 1.18 95.91 1.34 0.00 0.01 0.01 5 A H H 55.91 2.66 15.92 18.97 91.74 51.03 -64.11 -40.84 2.20 0.01 97.79 0.70 0.25 1.12 97.18 0.74 0.00 0.01 0.00 6 A H H 54.19 3.72 16.49 20.92 92.08 50.40 -64.75 -40.17 1.80 0.01 98.19 0.47 0.18 1.00 97.77 0.57 0.00 0.00 0.00 7 K H H 98.27 7.58 16.29 24.82 92.05 51.47 -64.64 -40.54 2.12 0.01 97.87 0.43 0.19 1.35 97.42 0.60 0.01 0.01 0.00 8 Y H H 127.90 4.36 18.43 23.34 92.26 49.90 -65.18 -41.65 2.23 0.01 97.76 0.44 0.21 1.41 97.29 0.61 0.01 0.01 0.00 9 I H H 103.06 2.14 21.44 22.40 91.84 48.81 -64.30 -42.27 2.08 0.01 97.91 0.42 0.21 1.29 97.51 0.55 0.01 0.00 0.00 10 G H H 26.43 7.57 18.23 26.90 92.07 49.85 -64.64 -41.79 3.09 0.01 96.90 0.47 0.27 2.10 96.20 0.94 0.01 0.00 0.01 11 A H H 37.91 10.08 17.76 28.77 91.90 50.82 -64.32 -41.06 4.28 0.02 95.71 0.53 0.38 3.15 93.87 2.04 0.02 0.01 0.01 12 G H H 34.92 4.39 20.96 25.46 91.70 51.17 -63.54 -42.00 7.53 0.02 92.45 0.86 0.62 5.70 89.67 3.12 0.02 0.01 0.01 13 I H H 92.28 3.77 22.53 26.02 91.95 48.93 -65.02 -41.06 12.10 0.09 87.80 2.25 1.49 8.37 83.14 4.61 0.04 0.05 0.05 14 S H H 35.10 11.63 17.98 30.29 91.97 51.32 -64.96 -40.49 20.68 0.30 79.02 6.60 2.77 11.84 73.93 4.51 0.05 0.16 0.14 15 T H H 62.38 7.29 20.60 28.27 92.14 50.25 -65.00 -40.45 25.92 0.53 73.55 10.10 3.14 13.44 68.32 4.43 0.05 0.28 0.25 16 I H H 98.52 2.66 23.25 24.88 91.70 50.23 -64.69 -41.69 15.02 0.46 84.52 5.25 2.61 8.32 77.91 5.37 0.09 0.26 0.20 17 G H H 25.36 8.74 18.02 27.81 92.12 51.07 -64.81 -41.38 13.97 0.27 85.76 3.77 1.86 8.82 79.26 5.92 0.08 0.17 0.11 18 L H H 67.78 10.12 18.50 29.10 92.05 50.25 -64.78 -40.99 11.45 0.18 88.37 2.83 1.50 7.42 82.60 5.42 0.05 0.11 0.07 19 L H H 97.72 2.75 22.18 24.13 91.80 49.83 -64.27 -41.06 8.20 0.10 91.71 1.88 1.08 5.29 89.07 2.57 0.03 0.05 0.04 20 G H H 33.93 4.23 20.48 24.84 92.14 49.83 -64.73 -41.27 8.56 0.04 91.39 1.90 0.96 5.50 89.99 1.59 0.01 0.02 0.02 21 A H H 33.60 10.71 16.85 28.65 91.86 51.14 -64.62 -40.80 5.28 0.02 94.70 0.93 0.56 3.44 93.88 1.17 0.01 0.01 0.01 22 G H H 32.70 6.03 19.52 26.31 91.83 51.55 -63.82 -41.51 3.90 0.01 96.09 0.66 0.35 2.56 95.58 0.84 0.00 0.00 0.00 23 I H H 100.63 2.14 22.13 22.88 91.87 48.88 -65.08 -41.45 2.10 0.01 97.89 0.30 0.16 1.38 97.67 0.47 0.00 0.00 0.00 24 G H H 25.41 7.11 18.27 26.50 92.00 51.21 -64.14 -41.84 1.67 0.00 98.33 0.23 0.11 1.07 98.37 0.23 0.00 0.00 0.00 25 I H H 62.84 9.80 18.08 28.60 91.86 49.86 -64.28 -41.28 0.58 0.00 99.42 0.08 0.03 0.32 99.48 0.09 0.00 0.00 0.00 26 A H H 54.70 4.22 19.61 24.26 91.67 51.62 -63.78 -41.08 0.26 0.00 99.74 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 27 I H H 98.34 2.85 20.75 22.86 91.87 49.29 -65.29 -41.50 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 28 V H H 58.59 8.00 17.98 26.71 92.02 49.06 -64.52 -42.34 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 29 F H H 87.33 8.05 18.16 27.04 91.89 48.95 -64.11 -41.60 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 30 A H H 55.21 3.41 19.44 22.91 91.53 51.07 -63.71 -41.15 0.17 0.00 99.83 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 31 A H H 53.44 4.21 19.13 23.39 91.85 50.36 -64.79 -40.67 0.43 0.00 99.57 0.02 0.01 0.32 99.56 0.09 0.00 0.00 0.00 32 L H H 61.84 9.68 16.75 27.29 92.07 50.06 -65.05 -41.18 1.06 0.00 98.94 0.07 0.04 0.79 98.93 0.17 0.00 0.00 0.00 33 I H H 79.66 5.95 17.89 24.75 92.01 49.53 -64.69 -41.40 2.20 0.01 97.79 0.24 0.16 1.58 97.65 0.36 0.00 0.00 0.00 34 N H H 92.69 1.98 19.58 20.33 92.11 50.02 -65.09 -40.55 4.99 0.02 94.99 0.50 0.36 3.90 93.89 1.33 0.01 0.01 0.01 35 G H H 25.97 5.61 15.31 22.52 92.15 51.37 -64.99 -39.48 8.12 0.03 91.86 0.70 0.61 6.54 89.58 2.53 0.02 0.01 0.01 36 V H H 53.13 9.27 12.55 23.26 92.47 51.66 -67.96 -35.84 9.07 0.04 90.89 0.87 0.88 7.15 87.38 3.65 0.03 0.02 0.02 37 S H H 74.60 2.94 14.31 18.10 92.16 55.69 -67.19 -29.08 20.62 0.04 79.34 1.23 1.47 17.59 76.71 2.92 0.03 0.02 0.03 38 R H H 174.21 1.10 14.45 14.70 95.21 46.39 -80.40 -26.82 34.24 0.07 65.69 1.38 4.62 27.81 64.30 1.74 0.07 0.02 0.07 39 N C C 74.70 4.98 11.12 18.09 112.87 26.72 -132.85 89.50 99.69 0.12 0.19 88.31 11.15 0.24 0.10 0.05 0.00 0.04 0.11 40 P H G 91.32 4.82 10.37 17.59 92.60 -170.04 -63.54 -25.38 18.41 0.05 81.54 1.70 1.14 13.11 3.35 80.66 0.00 0.03 0.01 41 S H G 90.25 1.01 14.47 14.77 90.75 65.60 -71.35 -15.97 16.95 0.04 83.01 1.05 1.05 13.06 3.55 81.26 0.00 0.03 0.01 42 I H G 60.08 8.46 10.68 21.02 96.31 59.58 -89.92 -1.02 14.83 0.09 85.07 5.32 1.71 6.25 7.34 79.31 0.00 0.06 0.02 43 K H H 95.12 10.64 11.79 23.38 92.71 99.74 -59.15 -42.35 6.81 0.02 93.17 1.76 0.71 3.63 77.35 16.54 0.00 0.01 0.00 44 D H H 113.87 1.11 17.40 17.30 91.80 50.84 -65.32 -37.32 5.86 0.01 94.13 0.50 0.32 4.30 78.44 16.42 0.00 0.01 0.00 45 T H H 81.18 2.69 17.31 19.89 94.25 49.16 -69.49 -37.73 6.79 0.01 93.19 0.56 0.38 5.08 77.71 16.26 0.00 0.01 0.00 46 V H H 30.49 14.08 12.66 27.41 93.17 49.87 -66.12 -41.36 3.71 0.00 96.28 0.34 0.34 2.78 93.83 2.70 0.00 0.00 0.00 47 F H H 94.83 7.98 16.76 25.68 91.92 52.49 -63.03 -42.36 1.10 0.00 98.90 0.34 0.13 0.52 98.37 0.65 0.00 0.00 0.00 48 P H H 78.39 2.04 20.02 20.80 91.70 50.03 -63.77 -41.38 0.59 0.00 99.41 0.15 0.03 0.33 98.95 0.54 0.00 0.00 0.00 49 M H H 88.46 5.36 19.19 25.08 92.25 48.94 -65.85 -40.37 0.27 0.00 99.73 0.04 0.01 0.17 99.21 0.56 0.00 0.00 0.00 50 A H H 20.97 14.99 14.49 30.14 91.80 51.51 -63.58 -41.92 0.35 0.00 99.65 0.06 0.02 0.21 99.56 0.15 0.00 0.00 0.00 51 I H H 90.23 4.73 20.20 25.38 91.69 49.27 -64.46 -41.69 0.38 0.00 99.62 0.04 0.02 0.26 99.62 0.06 0.00 0.00 0.00 52 L H H 97.97 1.95 22.00 22.31 91.74 49.20 -64.36 -42.05 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 53 G H H 18.52 10.40 17.27 29.14 91.92 50.41 -63.78 -41.55 0.28 0.00 99.72 0.03 0.01 0.18 99.72 0.07 0.00 0.00 0.00 54 F H H 69.84 12.79 17.96 30.90 91.95 50.28 -64.45 -40.60 0.25 0.00 99.75 0.02 0.01 0.16 99.73 0.07 0.00 0.00 0.00 55 A H H 57.11 3.33 21.56 24.59 91.48 51.19 -63.40 -41.83 0.30 0.00 99.70 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 56 L H H 91.19 3.23 22.52 25.21 91.82 48.75 -65.14 -41.24 0.51 0.00 99.49 0.05 0.02 0.33 99.50 0.09 0.00 0.00 0.00 57 S H H 19.86 14.83 16.76 32.31 92.00 50.81 -64.23 -41.80 0.54 0.00 99.46 0.08 0.03 0.32 99.49 0.09 0.00 0.00 0.00 58 E H H 82.32 9.54 20.16 29.96 91.86 50.81 -63.53 -41.11 0.56 0.00 99.44 0.06 0.03 0.34 99.51 0.07 0.00 0.00 0.00 59 A H H 59.17 2.39 22.84 23.83 91.75 50.30 -64.00 -42.30 0.55 0.00 99.45 0.07 0.02 0.32 99.52 0.07 0.00 0.00 0.00 60 T H H 54.64 6.95 20.94 28.54 91.90 49.74 -65.01 -41.45 0.31 0.00 99.69 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 61 G H H 11.65 15.79 15.75 32.22 91.57 52.02 -63.15 -42.04 0.29 0.00 99.71 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 62 L H H 87.86 4.33 21.41 25.74 91.55 50.15 -63.97 -41.60 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 63 F H H 118.06 2.22 22.12 23.02 91.76 49.90 -64.33 -42.12 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 64 C H H 30.75 11.44 16.59 29.37 91.82 50.73 -64.19 -41.62 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 65 L H H 64.15 10.09 17.69 28.44 91.92 50.60 -63.82 -41.38 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 66 M H H 104.84 2.43 20.38 21.97 91.81 50.15 -64.55 -41.26 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 67 V H H 70.16 4.24 18.42 23.19 91.91 49.45 -64.85 -41.60 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 68 S H H 28.61 10.11 14.37 26.24 91.57 50.91 -63.76 -41.23 0.49 0.00 99.51 0.04 0.02 0.35 99.42 0.18 0.00 0.00 0.00 69 F H H 103.68 4.37 16.04 21.26 91.71 49.95 -64.38 -40.99 0.54 0.00 99.46 0.04 0.02 0.39 99.17 0.38 0.00 0.00 0.00 70 L H H 95.28 2.26 15.18 17.59 92.08 50.77 -64.96 -40.45 0.70 0.00 99.30 0.07 0.04 0.48 98.49 0.92 0.00 0.00 0.00 71 L H H 92.55 4.02 13.16 18.45 92.67 49.23 -66.81 -38.10 2.21 0.00 97.78 0.14 0.10 1.80 96.10 1.85 0.00 0.00 0.00 72 L H H 99.53 4.45 11.85 17.77 93.89 46.92 -71.13 -32.67 9.13 0.01 90.86 0.37 0.41 8.18 89.19 1.83 0.01 0.00 0.00 73 F H H 146.00 2.28 10.92 13.99 98.61 42.30 -91.05 -7.79 38.31 0.21 61.48 2.93 3.72 30.85 60.10 2.16 0.04 0.08 0.13 74 G C T 54.66 2.25 10.02 13.65 102.10 58.01 -59.86 8.14 87.25 0.44 12.31 40.13 1.75 43.76 12.93 0.98 0.00 0.20 0.26 75 V C C 93.42 5.02 10.63 17.27 105.75 110.05 -88.34 49.30 99.97 0.02 0.00 99.94 0.03 0.01 0.00 0.00 0.00 0.01 0.00