# 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 D C C 93.35 3.90 14.22 19.03 105.64 -151.01 -87.48 94.80 99.92 0.02 0.06 99.86 0.05 0.04 0.03 0.00 0.00 0.00 0.00 1 I H H 104.65 4.25 10.93 16.71 96.10 159.82 -69.82 -31.98 23.74 0.07 76.19 16.87 0.91 5.37 75.53 1.25 0.00 0.03 0.04 2 D H H 93.86 3.19 12.55 16.95 94.20 59.27 -67.08 -37.42 13.21 0.05 86.74 5.86 1.60 5.44 85.48 1.56 0.00 0.02 0.03 3 T H H 79.21 2.81 13.55 17.22 93.21 51.23 -66.36 -39.88 5.83 0.03 94.14 2.40 0.80 2.59 92.45 1.73 0.00 0.01 0.01 4 A H H 60.08 2.34 14.77 17.43 92.25 51.25 -64.57 -40.86 2.72 0.01 97.26 0.98 0.35 1.29 96.26 1.12 0.00 0.01 0.00 5 A H H 51.01 4.59 14.47 20.33 92.16 50.79 -64.51 -40.41 1.90 0.01 98.08 0.60 0.22 0.96 97.53 0.69 0.00 0.01 0.00 6 K H H 110.26 5.15 15.73 21.99 92.08 51.50 -64.54 -40.68 1.91 0.01 98.07 0.47 0.19 1.11 97.67 0.54 0.00 0.01 0.00 7 F H H 124.26 2.61 17.76 20.47 92.13 49.52 -64.96 -41.65 1.73 0.01 98.25 0.39 0.18 1.04 97.93 0.46 0.00 0.00 0.00 8 I H H 102.13 2.37 19.59 21.38 91.94 48.67 -64.81 -42.12 1.45 0.01 98.54 0.31 0.14 0.85 98.31 0.37 0.00 0.00 0.00 9 G H H 27.55 7.39 17.01 25.54 92.20 50.11 -64.64 -41.67 2.19 0.01 97.80 0.36 0.18 1.42 97.47 0.55 0.00 0.00 0.00 10 A H H 49.72 6.40 18.35 25.73 91.87 50.45 -63.95 -41.03 3.01 0.01 96.97 0.43 0.27 2.11 96.14 1.03 0.01 0.01 0.01 11 G H H 36.06 3.76 20.25 24.18 91.82 51.15 -63.66 -42.04 5.56 0.02 94.42 0.77 0.50 4.03 93.01 1.66 0.02 0.01 0.01 12 A H H 54.54 5.10 20.36 25.72 91.95 50.20 -64.86 -40.45 9.50 0.07 90.43 1.84 1.08 6.58 87.44 2.96 0.03 0.03 0.03 13 A H H 44.60 9.37 18.22 28.29 91.96 52.18 -64.48 -40.15 15.27 0.25 84.48 4.16 2.14 9.53 79.64 4.23 0.06 0.14 0.10 14 T H H 72.21 5.16 20.78 26.24 92.14 51.06 -65.39 -39.57 21.07 0.69 78.23 7.74 3.03 11.48 72.14 4.85 0.09 0.43 0.25 15 V H H 86.12 3.12 21.93 24.69 92.03 50.35 -65.08 -41.13 18.07 1.00 80.93 6.30 3.39 9.94 72.82 6.35 0.21 0.63 0.36 16 G H H 27.95 8.25 17.78 26.96 92.37 51.22 -64.75 -41.40 21.47 0.78 77.74 6.86 3.37 12.43 68.82 7.56 0.16 0.51 0.29 17 V H H 70.33 7.62 18.76 26.94 92.34 49.99 -64.96 -40.91 23.22 1.00 75.78 6.44 4.15 14.18 66.49 7.45 0.26 0.60 0.42 18 A H H 64.00 3.18 20.82 23.83 92.23 50.33 -65.28 -40.45 22.73 0.72 76.55 5.59 4.48 14.29 69.29 5.42 0.20 0.38 0.34 19 G H H 35.63 4.68 19.43 24.51 92.72 49.85 -65.68 -40.46 28.26 0.45 71.30 7.57 5.34 16.88 64.46 5.20 0.10 0.20 0.25 20 S H H 47.74 7.97 17.78 26.49 92.55 50.07 -66.00 -39.87 27.92 0.34 71.74 6.28 4.75 17.95 65.75 4.81 0.10 0.15 0.21 21 G H H 34.19 6.32 18.53 25.57 92.64 51.38 -64.95 -41.24 23.94 0.23 75.84 6.20 3.91 14.76 71.08 3.78 0.05 0.10 0.14 22 A H H 62.56 3.02 20.25 22.90 92.15 50.77 -65.33 -40.20 14.16 0.10 85.74 2.99 2.21 9.11 83.19 2.36 0.04 0.04 0.06 23 G H H 31.46 5.41 18.78 24.82 92.59 50.81 -64.51 -41.23 10.63 0.06 89.32 2.63 1.40 6.52 87.89 1.48 0.02 0.02 0.03 24 I H H 71.89 7.64 18.05 26.42 92.07 50.04 -64.99 -41.25 2.78 0.01 97.21 0.71 0.34 1.47 96.91 0.56 0.00 0.00 0.00 25 G H H 33.23 5.53 17.97 24.51 91.95 51.32 -64.09 -40.93 1.63 0.01 98.36 0.39 0.16 0.89 98.14 0.41 0.00 0.00 0.00 26 T H H 83.05 2.66 20.00 22.14 92.24 49.40 -65.54 -40.81 1.49 0.01 98.51 0.25 0.13 0.97 98.30 0.34 0.00 0.00 0.00 27 V H H 71.79 5.34 18.68 24.47 92.29 48.93 -64.97 -42.26 1.25 0.00 98.75 0.15 0.10 0.86 98.68 0.21 0.00 0.00 0.00 28 F H H 92.29 7.03 17.85 25.74 91.86 48.94 -64.70 -41.30 1.08 0.00 98.91 0.14 0.08 0.67 98.95 0.16 0.00 0.00 0.00 29 G H H 32.95 4.63 17.80 23.29 91.43 51.37 -63.62 -40.95 0.99 0.00 99.01 0.10 0.05 0.65 99.01 0.20 0.00 0.00 0.00 30 S H H 62.63 3.05 19.33 22.06 91.92 50.34 -65.32 -40.12 1.46 0.00 98.54 0.09 0.07 1.12 98.42 0.30 0.00 0.00 0.00 31 L H H 69.99 7.51 16.98 25.42 92.15 50.23 -65.46 -40.95 1.93 0.00 98.07 0.14 0.09 1.52 97.91 0.34 0.00 0.00 0.00 32 I H H 77.39 6.24 17.13 24.37 92.05 49.80 -64.64 -41.75 2.14 0.01 97.84 0.27 0.17 1.54 97.58 0.41 0.01 0.00 0.00 33 I H H 94.56 2.27 18.83 20.16 91.92 49.11 -64.28 -41.45 2.11 0.01 97.87 0.28 0.17 1.50 97.00 1.03 0.00 0.00 0.00 34 G H H 27.03 4.61 15.37 21.60 91.79 50.80 -63.97 -40.07 2.85 0.01 97.14 0.28 0.19 2.17 95.79 1.56 0.01 0.00 0.00 35 Y H H 86.59 8.18 12.68 22.44 92.28 50.95 -66.99 -36.56 3.71 0.01 96.28 0.27 0.26 3.02 94.50 1.94 0.01 0.00 0.00 36 A H H 70.02 3.64 13.82 18.47 91.91 54.53 -67.03 -30.15 10.01 0.01 89.98 0.39 0.49 9.06 88.64 1.41 0.01 0.00 0.00 37 R H H 175.35 1.01 14.55 14.57 95.44 46.01 -81.13 -24.65 21.58 0.03 78.39 0.60 2.05 18.59 77.93 0.78 0.02 0.01 0.02 38 N C C 73.74 4.86 10.92 17.82 113.36 30.54 -132.07 92.52 99.81 0.07 0.12 88.47 11.17 0.17 0.08 0.03 0.00 0.02 0.07 39 P H G 92.65 4.30 10.48 17.17 92.77 -172.04 -62.76 -27.39 22.53 0.04 77.43 1.94 1.37 17.55 8.10 70.99 0.00 0.02 0.01 40 S H G 87.99 1.05 14.41 14.76 91.56 63.65 -71.35 -16.18 21.08 0.05 78.86 1.48 1.33 17.08 9.98 70.07 0.00 0.03 0.02 41 L H G 56.99 8.22 10.77 20.88 95.19 61.83 -81.63 -13.63 13.26 0.09 86.65 5.73 1.43 5.34 22.66 64.76 0.00 0.06 0.02 42 K H H 97.82 9.40 12.52 23.13 92.51 85.58 -60.09 -42.13 3.07 0.01 96.93 1.27 0.32 1.28 93.04 4.09 0.00 0.00 0.00 43 Q H H 125.99 1.33 17.63 17.82 91.53 50.87 -64.80 -39.34 1.35 0.00 98.65 0.26 0.10 0.80 95.59 3.25 0.00 0.00 0.00 44 Q H H 103.95 2.44 17.74 19.95 92.08 49.99 -65.78 -39.97 0.99 0.00 99.00 0.19 0.07 0.58 96.26 2.89 0.00 0.00 0.00 45 L H H 39.44 12.21 13.37 26.74 91.97 50.39 -64.62 -41.67 0.72 0.00 99.28 0.15 0.06 0.40 98.72 0.68 0.00 0.00 0.00 46 F H H 97.74 6.73 17.23 25.00 91.94 50.23 -64.40 -40.76 0.69 0.00 99.31 0.18 0.06 0.35 99.23 0.18 0.00 0.00 0.00 47 S H H 60.81 2.14 19.72 20.72 91.87 51.01 -64.19 -41.94 0.82 0.00 99.18 0.18 0.06 0.47 99.16 0.13 0.00 0.00 0.00 48 Y H H 114.05 4.72 19.17 24.30 92.19 48.87 -66.11 -40.68 0.54 0.00 99.46 0.09 0.04 0.33 99.44 0.09 0.00 0.00 0.00 49 A H H 23.35 13.62 14.74 29.26 91.96 51.64 -64.02 -41.93 0.46 0.00 99.53 0.09 0.03 0.26 99.55 0.07 0.00 0.00 0.00 50 I H H 88.52 4.69 19.85 25.05 91.75 49.09 -64.40 -41.82 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 51 L H H 97.12 2.01 21.80 22.23 91.73 49.14 -64.31 -42.23 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 52 G H H 19.99 9.33 17.35 28.25 91.82 50.24 -64.41 -41.45 0.38 0.00 99.62 0.04 0.01 0.24 99.62 0.08 0.00 0.00 0.00 53 F H H 70.16 12.15 17.69 30.20 92.05 50.08 -64.87 -40.80 0.44 0.00 99.56 0.04 0.02 0.29 99.55 0.09 0.00 0.00 0.00 54 A H H 55.69 3.40 20.99 24.23 91.45 51.00 -63.38 -42.17 0.59 0.00 99.41 0.07 0.03 0.37 99.43 0.09 0.00 0.00 0.00 55 L H H 91.37 2.91 21.99 24.16 91.73 49.12 -64.68 -41.56 0.78 0.00 99.22 0.13 0.05 0.47 99.22 0.13 0.00 0.00 0.00 56 S H H 23.56 13.36 16.49 30.77 91.81 50.57 -64.25 -41.37 0.74 0.00 99.26 0.13 0.04 0.43 99.27 0.13 0.00 0.00 0.00 57 E H H 85.86 8.73 19.48 28.75 91.84 51.12 -63.85 -40.73 0.84 0.00 99.16 0.10 0.04 0.53 99.20 0.13 0.00 0.00 0.00 58 A H H 59.23 2.25 22.14 22.91 91.62 50.55 -63.87 -42.05 0.76 0.00 99.24 0.10 0.04 0.46 99.29 0.11 0.00 0.00 0.00 59 M H H 79.07 6.22 20.28 27.08 91.96 49.92 -65.16 -41.12 0.38 0.00 99.62 0.05 0.02 0.22 99.64 0.07 0.00 0.00 0.00 60 G H H 12.81 14.74 15.16 30.77 91.60 52.21 -63.04 -41.74 0.36 0.00 99.64 0.05 0.02 0.22 99.64 0.07 0.00 0.00 0.00 61 L H H 89.89 3.60 20.95 24.46 91.50 50.48 -64.13 -41.40 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 62 F H H 117.65 2.21 21.56 22.50 91.74 49.82 -64.41 -41.96 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 63 C H H 31.62 11.37 16.17 28.84 91.89 50.94 -64.02 -41.86 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 64 L H H 69.11 8.75 17.72 27.30 91.95 50.45 -64.33 -41.29 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 65 M H H 105.78 2.02 20.33 21.06 91.65 50.11 -64.56 -41.70 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 66 V H H 67.20 4.63 18.00 23.23 91.95 49.48 -65.04 -41.45 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 67 A H H 27.51 10.63 14.12 26.40 91.54 51.55 -63.17 -41.48 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 68 F H H 111.17 3.28 16.89 20.55 91.82 50.19 -64.59 -41.06 0.19 0.00 99.81 0.01 0.00 0.13 99.79 0.07 0.00 0.00 0.00 69 L H H 94.89 1.94 16.10 17.54 91.79 50.06 -64.95 -40.70 0.26 0.00 99.74 0.02 0.01 0.17 99.62 0.18 0.00 0.00 0.00 70 I H H 76.60 5.59 12.98 20.00 92.46 49.40 -66.23 -40.69 0.73 0.00 99.27 0.06 0.03 0.53 98.73 0.64 0.00 0.00 0.00 71 L H H 89.63 4.97 12.03 18.61 92.69 50.04 -66.09 -37.81 3.44 0.00 96.55 0.19 0.15 2.87 95.54 1.25 0.00 0.00 0.00 72 F H H 154.51 1.33 11.71 13.19 93.55 49.36 -72.70 -26.70 18.11 0.05 81.84 1.31 1.11 15.02 81.08 1.41 0.01 0.02 0.03 73 A C H 77.93 2.34 9.63 13.11 96.25 57.33 -78.37 -15.63 50.17 0.33 49.50 18.87 1.23 26.97 51.28 1.32 0.00 0.11 0.22 74 M C C 119.55 4.85 11.00 17.35 102.18 89.25 -76.11 31.00 99.95 0.02 0.02 99.89 0.04 0.04 0.02 0.00 0.00 0.01 0.00