# 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 100.55 6.51 12.55 20.20 103.11 132.77 -77.33 21.58 99.90 0.02 0.08 99.85 0.05 0.05 0.04 0.00 0.00 0.00 0.00 1 E C C 127.58 3.02 11.58 15.96 95.88 86.71 -68.23 -33.70 53.14 0.42 46.44 46.61 0.94 5.40 44.96 1.72 0.00 0.16 0.21 2 L H H 119.19 1.41 12.15 13.66 94.39 55.28 -67.15 -37.18 28.08 0.23 71.68 16.05 3.79 8.47 69.10 2.38 0.01 0.10 0.12 3 T H H 70.90 4.53 12.25 18.13 93.86 50.43 -67.95 -38.23 15.31 0.15 84.54 9.10 1.98 4.71 81.58 2.49 0.00 0.07 0.06 4 L H H 76.54 7.10 12.64 21.18 92.88 53.62 -65.30 -40.00 5.83 0.05 94.12 2.85 0.81 2.18 92.56 1.56 0.00 0.02 0.02 5 G H H 38.30 2.70 15.97 18.97 92.13 51.60 -63.88 -40.95 4.93 0.03 95.04 2.10 0.54 2.11 94.30 0.92 0.00 0.01 0.01 6 L H H 94.99 2.35 17.73 19.67 91.97 49.49 -65.37 -40.63 1.88 0.01 98.11 0.67 0.20 0.86 97.81 0.45 0.00 0.00 0.00 7 V H H 52.35 9.81 15.39 26.32 92.18 49.98 -64.85 -41.39 0.75 0.00 99.24 0.23 0.07 0.35 99.17 0.18 0.00 0.00 0.00 8 A H H 47.48 7.97 17.16 26.11 91.78 50.94 -63.70 -41.62 0.54 0.00 99.46 0.12 0.04 0.28 99.42 0.14 0.00 0.00 0.00 9 I H H 105.87 1.72 21.53 21.52 91.85 48.85 -64.71 -42.03 0.37 0.00 99.63 0.07 0.02 0.20 99.62 0.09 0.00 0.00 0.00 10 A H H 46.77 5.29 19.30 25.26 91.85 49.73 -64.37 -41.91 0.34 0.00 99.66 0.05 0.02 0.20 99.66 0.07 0.00 0.00 0.00 11 S H H 27.26 13.29 16.17 30.23 91.78 50.58 -64.39 -41.06 0.43 0.00 99.57 0.05 0.02 0.27 99.60 0.07 0.00 0.00 0.00 12 A H H 52.91 5.44 19.64 25.64 91.65 51.59 -63.82 -41.31 0.29 0.00 99.71 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 13 I H H 101.41 2.04 22.38 22.89 91.72 49.30 -64.57 -42.17 0.18 0.00 99.82 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 14 L H H 59.30 9.92 18.84 29.39 91.86 49.18 -64.85 -42.05 0.19 0.00 99.81 0.01 0.01 0.12 99.80 0.06 0.00 0.00 0.00 15 I H H 58.19 12.81 18.33 31.27 91.76 49.71 -64.17 -41.65 0.26 0.00 99.74 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 16 A H H 59.30 3.12 22.34 24.80 91.62 50.10 -63.90 -42.27 0.41 0.00 99.59 0.03 0.02 0.29 99.58 0.09 0.00 0.00 0.00 17 F H H 110.45 3.26 23.17 25.77 91.66 48.54 -64.80 -41.61 0.43 0.00 99.57 0.02 0.02 0.31 99.50 0.14 0.00 0.00 0.00 18 G H H 12.83 14.89 16.52 32.16 91.85 51.49 -63.87 -41.77 0.81 0.00 99.18 0.05 0.03 0.64 99.04 0.24 0.00 0.00 0.00 19 A H H 47.08 8.03 20.48 29.07 91.68 50.58 -64.08 -41.34 1.69 0.00 98.30 0.10 0.07 1.33 98.18 0.32 0.00 0.00 0.00 20 L H H 101.83 1.73 24.60 24.13 91.57 49.05 -64.63 -41.50 1.29 0.00 98.71 0.14 0.09 0.85 98.67 0.26 0.00 0.00 0.00 21 G H H 23.26 8.23 19.61 28.98 91.90 50.70 -64.29 -41.62 1.29 0.00 98.71 0.18 0.08 0.80 98.69 0.24 0.00 0.00 0.00 22 T H H 35.45 14.09 17.32 31.72 91.70 50.56 -63.96 -41.35 1.09 0.00 98.91 0.14 0.07 0.70 98.85 0.23 0.00 0.00 0.00 23 A H H 59.44 3.61 22.34 25.52 91.71 50.77 -63.94 -41.99 0.61 0.00 99.39 0.09 0.04 0.37 99.36 0.14 0.00 0.00 0.00 24 I H H 98.31 2.26 23.15 23.85 91.80 48.43 -64.46 -42.15 0.37 0.00 99.63 0.04 0.02 0.22 99.63 0.08 0.00 0.00 0.00 25 G H H 15.54 12.32 17.02 30.52 91.87 50.71 -63.37 -42.11 0.42 0.00 99.58 0.04 0.02 0.27 99.58 0.09 0.00 0.00 0.00 26 F H H 86.68 9.64 18.86 29.04 91.49 50.11 -63.98 -41.09 0.45 0.00 99.55 0.04 0.02 0.30 99.53 0.11 0.00 0.00 0.00 27 G H H 40.57 2.35 21.52 22.75 91.92 50.45 -63.88 -41.82 0.68 0.00 99.32 0.06 0.03 0.48 99.31 0.12 0.00 0.00 0.00 28 L H H 86.89 4.01 20.71 24.65 92.18 48.71 -65.49 -41.29 1.31 0.00 98.69 0.08 0.06 1.03 98.67 0.15 0.00 0.00 0.00 29 L H H 48.27 11.37 16.86 29.20 91.97 49.21 -64.54 -41.54 1.49 0.00 98.51 0.10 0.09 1.15 98.51 0.15 0.00 0.00 0.00 30 G H H 31.03 5.38 18.57 25.00 91.66 50.94 -63.22 -41.61 1.24 0.00 98.76 0.12 0.07 0.85 98.81 0.16 0.00 0.00 0.00 31 G H H 36.61 2.55 19.96 21.86 91.89 50.51 -64.05 -41.62 0.94 0.00 99.06 0.09 0.05 0.63 99.06 0.18 0.00 0.00 0.00 32 R H H 118.81 4.81 19.44 24.69 92.10 49.69 -65.40 -40.79 0.89 0.00 99.11 0.09 0.05 0.60 99.06 0.20 0.00 0.00 0.00 33 F H H 77.87 10.43 16.38 27.62 92.02 50.37 -64.00 -41.60 0.90 0.00 99.10 0.11 0.05 0.58 99.06 0.20 0.00 0.00 0.00 34 L H H 91.41 3.27 19.00 22.23 91.78 49.50 -64.42 -41.26 0.86 0.00 99.14 0.13 0.06 0.51 99.14 0.17 0.00 0.00 0.00 35 E H H 104.86 2.01 19.64 20.46 91.98 49.70 -64.91 -40.95 0.98 0.00 99.02 0.10 0.05 0.64 98.97 0.23 0.00 0.00 0.00 36 A H H 27.75 7.58 14.31 24.25 91.80 50.94 -64.28 -40.15 1.41 0.00 98.59 0.12 0.08 1.01 98.22 0.56 0.00 0.00 0.00 37 V H H 55.37 8.09 12.98 22.80 92.19 51.28 -65.73 -37.08 2.46 0.00 97.54 0.15 0.13 1.96 96.69 1.06 0.00 0.00 0.00 38 A H H 76.86 1.75 14.99 16.70 91.63 54.59 -67.74 -30.37 10.54 0.00 89.45 0.25 0.31 10.17 88.32 0.95 0.00 0.00 0.00 39 R H H 166.27 1.38 14.25 15.30 96.33 44.42 -82.21 -26.18 24.17 0.02 75.81 0.42 1.54 22.10 75.18 0.72 0.01 0.00 0.02 40 Q C C 80.09 6.01 10.54 18.46 111.88 26.92 -131.93 81.92 99.72 0.04 0.23 86.52 12.98 0.23 0.15 0.05 0.00 0.01 0.06 41 P H G 93.73 3.88 10.98 17.17 92.95 170.89 -62.10 -30.98 9.23 0.01 90.75 0.63 0.45 6.56 2.09 90.27 0.00 0.01 0.00 42 E H G 155.34 0.79 14.73 14.34 90.56 62.04 -70.39 -19.54 8.27 0.01 91.72 0.25 0.33 6.70 2.00 90.72 0.00 0.00 0.00 43 L H G 56.21 9.08 10.75 21.68 95.61 54.65 -95.10 -4.34 6.87 0.01 93.12 0.74 0.48 4.57 4.84 89.38 0.00 0.01 0.00 44 A H H 39.33 10.91 11.14 23.50 92.21 96.55 -57.77 -43.17 2.28 0.00 97.72 0.68 0.31 1.00 96.14 1.86 0.00 0.00 0.00 45 P H H 92.67 1.39 18.06 17.99 91.17 50.43 -63.88 -39.06 1.08 0.00 98.92 0.14 0.06 0.71 97.27 1.83 0.00 0.00 0.00 46 Q H H 101.73 2.49 17.82 20.14 91.81 50.05 -65.84 -40.05 0.50 0.00 99.50 0.07 0.03 0.30 98.07 1.53 0.00 0.00 0.00 47 L H H 33.40 13.41 12.61 27.06 91.90 50.37 -64.67 -40.73 0.35 0.00 99.65 0.07 0.02 0.18 99.41 0.31 0.00 0.00 0.00 48 Q H H 90.78 6.24 17.16 24.48 91.71 51.64 -63.34 -40.64 0.46 0.00 99.54 0.09 0.03 0.25 99.52 0.11 0.00 0.00 0.00 49 T H H 78.60 1.73 19.40 19.51 91.99 49.72 -64.45 -41.54 0.59 0.00 99.41 0.10 0.03 0.36 99.43 0.09 0.00 0.00 0.00 50 R H H 112.00 5.06 18.04 23.88 92.11 49.36 -65.74 -40.35 0.47 0.00 99.52 0.07 0.02 0.29 99.54 0.09 0.00 0.00 0.00 51 M H H 50.60 13.40 14.32 28.24 91.57 51.00 -63.82 -41.02 0.44 0.00 99.56 0.06 0.02 0.27 99.56 0.08 0.00 0.00 0.00 52 F H H 118.47 3.65 18.67 22.87 91.77 50.31 -64.14 -40.74 0.38 0.00 99.62 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 53 L H H 99.27 1.98 20.34 20.98 91.97 49.36 -64.73 -42.05 0.33 0.00 99.67 0.05 0.02 0.20 99.67 0.06 0.00 0.00 0.00 54 I H H 59.73 8.66 17.64 27.37 92.25 48.65 -65.28 -41.38 0.31 0.00 99.69 0.05 0.02 0.18 99.70 0.06 0.00 0.00 0.00 55 A H H 31.26 11.56 16.00 28.55 91.64 51.47 -63.09 -41.54 0.32 0.00 99.68 0.03 0.01 0.21 99.66 0.09 0.00 0.00 0.00 56 G H H 37.19 3.16 19.90 22.97 91.65 51.11 -63.74 -41.37 0.79 0.00 99.21 0.05 0.03 0.59 99.15 0.19 0.00 0.00 0.00 57 L H H 92.10 3.34 20.58 23.66 92.05 49.42 -65.29 -41.14 1.06 0.00 98.94 0.08 0.05 0.78 98.71 0.39 0.00 0.00 0.00 58 L H H 44.49 13.45 16.33 30.17 92.15 50.28 -64.99 -41.04 2.45 0.00 97.54 0.17 0.12 1.95 97.03 0.73 0.00 0.00 0.00 59 D H H 69.71 8.34 18.75 27.66 92.00 51.62 -65.25 -37.70 14.02 0.00 85.98 0.43 0.42 12.81 85.49 0.84 0.00 0.00 0.00 60 A H H 57.87 2.90 21.08 23.34 92.21 53.06 -65.20 -40.19 9.91 0.00 90.08 0.50 0.48 8.31 89.99 0.72 0.00 0.00 0.00 61 V H H 58.53 7.93 19.30 27.93 92.21 51.39 -64.53 -41.81 1.85 0.00 98.15 0.40 0.18 0.95 97.80 0.66 0.00 0.00 0.00 62 P H H 34.08 14.13 16.34 30.82 91.72 51.40 -63.69 -41.44 1.34 0.00 98.65 0.28 0.09 0.79 97.96 0.88 0.00 0.00 0.00 63 M H H 105.97 3.23 21.62 24.57 91.80 49.82 -64.40 -41.00 0.77 0.00 99.23 0.12 0.05 0.50 98.62 0.72 0.00 0.00 0.00 64 I H H 93.47 3.02 22.01 24.33 92.00 48.80 -64.69 -41.95 0.40 0.00 99.60 0.05 0.02 0.24 99.55 0.13 0.00 0.00 0.00 65 G H H 14.73 13.07 16.33 30.43 91.85 51.27 -63.78 -42.13 0.37 0.00 99.62 0.05 0.02 0.22 99.63 0.07 0.00 0.00 0.00 66 V H H 66.29 8.09 19.43 28.13 91.91 49.59 -63.61 -41.40 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 67 G H H 36.86 2.75 20.98 23.06 91.71 50.75 -63.60 -42.30 0.31 0.00 99.69 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 68 I H H 73.41 5.66 19.34 25.70 92.05 49.22 -65.30 -41.67 0.29 0.00 99.71 0.02 0.01 0.19 99.71 0.07 0.00 0.00 0.00 69 G H H 17.02 11.76 14.91 27.96 91.35 52.19 -62.89 -41.68 0.45 0.00 99.55 0.03 0.02 0.31 99.50 0.14 0.00 0.00 0.00 70 L H H 87.47 3.81 18.11 22.40 91.93 50.13 -64.30 -41.09 0.70 0.00 99.30 0.04 0.03 0.56 99.09 0.29 0.00 0.00 0.00 71 F H H 118.44 2.53 17.63 19.90 92.13 50.03 -65.11 -41.20 0.97 0.00 99.03 0.07 0.05 0.75 98.55 0.58 0.00 0.00 0.00 72 F H H 89.48 7.42 14.36 23.06 92.75 47.69 -67.45 -39.35 2.88 0.01 97.11 0.20 0.18 2.41 95.95 1.26 0.00 0.00 0.00 73 I H H 84.72 6.63 13.64 21.50 93.52 46.06 -70.53 -37.93 8.36 0.02 91.62 0.44 0.54 7.29 90.04 1.66 0.02 0.01 0.01 74 F H H 147.63 1.68 14.79 16.18 95.96 41.21 -79.48 -26.69 22.20 0.10 77.70 2.06 2.69 17.48 75.54 2.07 0.06 0.04 0.07 75 A H H 65.23 3.58 12.48 17.21 97.48 55.14 -80.14 -22.06 43.23 0.60 56.16 8.97 12.62 23.32 52.02 2.33 0.11 0.19 0.44 76 N C C 78.42 7.13 10.04 18.65 106.99 60.60 -98.27 93.27 81.86 0.93 17.21 49.15 22.33 10.60 11.01 5.82 0.00 0.35 0.73 77 P C T 92.75 3.74 11.08 16.60 97.03 -174.27 -67.93 -16.93 74.34 0.65 25.02 27.81 12.28 34.96 9.77 14.44 0.00 0.30 0.44 78 F C T 146.68 3.21 10.53 15.19 99.86 63.33 -84.92 -5.11 71.85 2.32 25.82 26.34 12.54 34.29 9.96 14.42 0.02 1.20 1.21 79 V C C 98.32 4.77 8.89 15.33 106.88 78.33 -90.42 73.59 82.66 2.16 15.18 64.47 3.91 15.47 7.44 6.33 0.00 1.21 1.17 80 G C C 53.32 2.94 13.34 17.61 109.15 -72.21 71.23 123.36 99.96 0.03 0.01 99.82 0.09 0.06 0.00 0.00 0.00 0.01 0.00