# 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 S C C 76.25 3.57 14.48 19.01 110.49 -138.37 -82.31 133.67 99.93 0.02 0.06 99.77 0.10 0.08 0.03 0.00 0.00 0.00 0.00 1 G C C 44.86 4.94 11.16 17.38 106.44 48.48 -64.33 -31.83 73.71 0.23 26.07 61.96 1.51 8.66 26.10 1.53 0.00 0.08 0.16 2 G H H 47.49 2.94 11.79 15.82 102.63 52.31 -52.65 -47.23 38.03 0.26 61.71 18.63 7.58 12.56 57.64 3.33 0.01 0.09 0.16 3 L H H 119.33 1.69 12.22 14.29 94.54 38.90 -67.05 -36.75 18.55 0.13 81.31 6.32 3.48 9.11 77.42 3.52 0.02 0.06 0.07 4 D H H 86.30 3.78 13.47 18.40 93.20 52.53 -66.58 -36.94 11.86 0.09 88.06 5.23 1.85 5.09 84.79 2.95 0.01 0.04 0.05 5 R H H 126.06 5.17 13.89 20.31 92.60 53.26 -65.50 -39.48 3.79 0.02 96.19 1.25 0.51 1.83 95.36 1.03 0.00 0.01 0.01 6 G H H 38.25 3.12 15.57 19.44 92.47 51.41 -64.56 -40.78 3.13 0.01 96.86 0.80 0.31 1.76 96.46 0.67 0.00 0.00 0.00 7 L H H 97.31 2.35 17.73 19.69 92.23 50.07 -65.46 -41.00 1.48 0.00 98.52 0.32 0.13 0.84 98.31 0.40 0.00 0.00 0.00 8 I H H 74.25 7.38 16.73 24.94 92.21 49.95 -64.87 -41.81 0.59 0.00 99.41 0.11 0.04 0.31 99.39 0.14 0.00 0.00 0.00 9 A H H 47.09 7.50 17.32 25.81 91.81 50.55 -63.77 -41.41 0.44 0.00 99.56 0.06 0.02 0.25 99.55 0.11 0.00 0.00 0.00 10 V H H 91.40 2.10 21.70 22.58 91.70 48.82 -64.53 -41.70 0.33 0.00 99.66 0.03 0.01 0.21 99.66 0.09 0.00 0.00 0.00 11 G H H 31.66 4.93 19.81 25.16 91.87 49.66 -63.96 -42.03 0.35 0.00 99.65 0.03 0.01 0.22 99.64 0.09 0.00 0.00 0.00 12 M H H 62.10 11.56 18.14 30.14 91.77 50.00 -64.27 -41.11 0.34 0.00 99.66 0.02 0.01 0.23 99.66 0.08 0.00 0.00 0.00 13 G H H 31.57 6.75 19.82 27.28 91.50 51.30 -63.17 -41.98 0.34 0.00 99.66 0.02 0.01 0.22 99.67 0.07 0.00 0.00 0.00 14 L H H 99.82 2.17 23.78 24.48 91.44 49.27 -64.15 -41.74 0.26 0.00 99.74 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 15 A H H 39.51 8.56 19.92 29.16 91.69 50.05 -64.12 -42.12 0.28 0.00 99.72 0.02 0.01 0.18 99.71 0.07 0.00 0.00 0.00 16 V H H 50.03 12.64 19.02 31.93 91.56 49.45 -64.04 -41.46 0.35 0.00 99.65 0.02 0.01 0.24 99.66 0.07 0.00 0.00 0.00 17 G H H 36.19 4.10 22.40 26.37 91.39 50.63 -63.01 -42.45 0.40 0.00 99.60 0.03 0.01 0.25 99.62 0.08 0.00 0.00 0.00 18 L H H 93.07 2.82 24.24 26.02 91.43 48.87 -64.56 -41.55 0.33 0.00 99.67 0.03 0.01 0.21 99.66 0.09 0.00 0.00 0.00 19 A H H 27.85 12.63 18.01 31.44 91.59 50.93 -64.32 -41.53 0.42 0.00 99.58 0.03 0.02 0.29 99.55 0.12 0.00 0.00 0.00 20 A H H 45.36 9.10 20.06 29.67 91.84 50.35 -63.97 -41.25 0.84 0.00 99.16 0.05 0.03 0.62 99.15 0.15 0.00 0.00 0.00 21 L H H 102.38 2.00 24.79 24.91 91.58 49.17 -64.28 -41.68 0.74 0.00 99.26 0.06 0.03 0.50 99.31 0.10 0.00 0.00 0.00 22 G H H 28.24 6.29 21.17 28.24 91.71 49.75 -64.54 -41.97 0.65 0.00 99.35 0.07 0.03 0.40 99.40 0.10 0.00 0.00 0.00 23 T H H 34.34 13.67 17.70 31.87 91.45 50.91 -64.03 -41.32 0.56 0.00 99.44 0.05 0.03 0.36 99.45 0.11 0.00 0.00 0.00 24 G H H 33.89 5.25 21.42 26.94 91.43 51.17 -63.21 -42.01 0.49 0.00 99.51 0.05 0.02 0.30 99.53 0.10 0.00 0.00 0.00 25 V H H 88.00 2.18 23.92 24.32 91.56 48.81 -64.38 -41.77 0.41 0.00 99.59 0.04 0.02 0.25 99.61 0.08 0.00 0.00 0.00 26 A H H 29.04 10.09 18.31 29.75 91.52 50.65 -64.10 -41.87 0.43 0.00 99.57 0.04 0.02 0.27 99.60 0.07 0.00 0.00 0.00 27 Q H H 66.66 11.82 18.46 30.53 91.29 51.00 -63.28 -40.63 0.39 0.00 99.61 0.03 0.02 0.24 99.65 0.06 0.00 0.00 0.00 28 A H H 63.26 3.07 21.85 24.42 91.70 51.06 -64.37 -41.63 0.43 0.00 99.57 0.04 0.02 0.27 99.60 0.07 0.00 0.00 0.00 29 R H H 134.76 2.96 22.44 24.83 91.86 48.54 -65.57 -40.87 0.64 0.00 99.36 0.06 0.03 0.44 99.37 0.10 0.00 0.00 0.00 30 I H H 56.31 11.08 18.26 29.97 91.96 49.35 -64.64 -42.09 0.76 0.00 99.23 0.09 0.05 0.49 99.27 0.10 0.00 0.00 0.00 31 G H H 27.39 8.77 18.74 28.46 91.85 50.50 -63.14 -42.12 1.12 0.00 98.88 0.18 0.07 0.67 98.90 0.17 0.00 0.00 0.00 32 A H H 63.93 2.56 22.63 24.06 91.91 49.86 -64.39 -41.34 1.37 0.00 98.63 0.14 0.08 0.95 98.57 0.26 0.00 0.00 0.00 33 A H H 53.40 4.79 21.29 26.20 92.00 49.28 -65.21 -41.10 2.82 0.00 97.18 0.17 0.14 2.31 97.01 0.37 0.00 0.00 0.00 34 G H H 19.66 12.07 16.82 29.73 92.17 50.75 -64.46 -41.25 4.58 0.00 95.41 0.36 0.25 3.67 95.34 0.37 0.00 0.00 0.00 35 V H H 74.98 4.96 20.15 25.57 91.70 50.11 -63.94 -41.60 1.89 0.00 98.10 0.29 0.17 1.18 98.01 0.34 0.00 0.00 0.00 36 G H H 35.91 2.50 20.23 21.96 91.69 50.42 -63.65 -41.28 2.03 0.01 97.97 0.31 0.16 1.30 97.74 0.49 0.00 0.00 0.00 37 A H H 33.42 6.72 15.48 24.22 91.92 50.94 -64.46 -40.13 2.04 0.01 97.95 0.34 0.20 1.30 97.36 0.79 0.00 0.00 0.00 38 I H H 64.18 8.71 13.52 23.60 92.04 50.66 -65.81 -38.02 2.70 0.02 97.28 0.42 0.28 1.82 96.56 0.90 0.00 0.01 0.01 39 A H H 76.32 2.05 14.91 17.23 92.35 52.20 -67.17 -33.09 8.47 0.02 91.51 0.60 0.59 7.04 90.88 0.86 0.01 0.00 0.01 40 E H H 140.50 1.29 14.21 14.94 95.51 43.65 -79.55 -28.43 22.79 0.04 77.17 0.79 2.44 18.86 77.25 0.61 0.02 0.01 0.03 41 D C C 75.93 4.69 11.91 18.27 113.68 20.89 -134.27 85.26 97.10 0.12 2.77 79.95 12.51 4.45 2.45 0.47 0.00 0.04 0.14 42 R H G 152.67 4.64 10.85 17.78 93.87 -166.01 -64.50 -26.92 21.91 0.08 78.01 3.93 2.02 14.45 9.63 69.90 0.00 0.05 0.03 43 S H G 90.95 1.05 15.21 15.37 91.79 64.33 -70.04 -19.42 20.79 0.08 79.13 2.53 1.89 15.07 10.59 69.84 0.00 0.04 0.03 44 N H G 63.50 8.72 11.60 21.72 96.46 56.25 -87.18 -4.54 18.77 0.14 81.09 7.50 2.19 7.99 15.01 67.18 0.00 0.09 0.04 45 F H H 88.54 10.96 12.35 24.23 93.26 95.11 -61.21 -41.33 13.59 0.09 86.33 6.02 2.21 5.65 80.91 5.12 0.00 0.03 0.05 46 G H H 42.82 2.29 18.52 20.16 92.10 51.21 -63.34 -40.71 8.80 0.03 91.17 2.38 0.95 4.98 88.97 2.69 0.00 0.01 0.01 47 T H H 70.94 3.81 18.79 22.76 92.16 50.14 -66.57 -39.58 3.62 0.02 96.36 1.19 0.35 1.85 94.55 2.04 0.00 0.01 0.01 48 A H H 17.70 15.06 13.33 29.21 91.63 52.50 -63.50 -41.80 1.36 0.01 98.63 0.43 0.12 0.66 97.42 1.35 0.00 0.01 0.00 49 L H H 80.92 6.79 18.32 26.08 91.82 51.45 -63.90 -40.90 0.78 0.00 99.22 0.14 0.05 0.48 97.99 1.33 0.00 0.00 0.00 50 I H H 102.00 2.20 20.28 21.32 91.72 50.05 -64.70 -41.62 0.55 0.00 99.45 0.04 0.03 0.42 97.90 1.61 0.00 0.00 0.00 51 F H H 86.47 8.69 17.80 27.11 92.53 48.63 -66.51 -39.01 1.54 0.00 98.46 0.07 0.05 1.37 95.96 2.55 0.00 0.00 0.00 52 L H H 42.29 15.21 15.28 30.46 92.44 49.70 -66.67 -38.43 9.97 0.00 90.03 0.15 0.22 10.10 87.66 1.85 0.01 0.00 0.00 53 L H H 84.37 5.16 19.60 25.16 92.30 52.02 -65.64 -38.22 12.23 0.00 87.76 0.25 0.53 11.59 86.49 1.12 0.01 0.00 0.00 54 L H H 88.34 3.34 21.35 24.15 92.17 51.32 -64.74 -42.31 9.04 0.04 90.92 2.07 1.19 5.24 86.57 4.87 0.01 0.02 0.02 55 P H H 28.83 13.14 16.73 30.76 92.07 49.38 -64.30 -40.53 6.16 0.10 93.74 1.70 0.61 3.45 89.25 4.88 0.01 0.07 0.04 56 E H H 70.21 11.30 18.64 30.25 91.94 51.23 -64.03 -40.79 3.45 0.04 96.50 1.14 0.37 1.74 92.18 4.52 0.00 0.03 0.01 57 T H H 69.56 3.84 21.70 25.11 91.94 51.19 -64.53 -41.46 1.57 0.01 98.42 0.35 0.13 0.96 97.51 1.04 0.00 0.00 0.00 58 L H H 69.43 7.54 20.35 28.15 92.00 49.81 -65.29 -40.73 0.36 0.00 99.64 0.03 0.02 0.25 99.51 0.19 0.00 0.00 0.00 59 V H H 33.14 14.95 16.96 32.22 92.07 49.64 -64.00 -42.28 0.22 0.00 99.78 0.02 0.01 0.16 99.69 0.12 0.00 0.00 0.00 60 I H H 79.04 6.37 21.00 27.76 91.88 49.23 -64.02 -42.36 0.19 0.00 99.81 0.01 0.00 0.14 99.75 0.09 0.00 0.00 0.00 61 F H H 110.43 3.22 22.20 24.88 91.68 49.56 -63.97 -41.90 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 62 G H H 16.74 11.99 17.02 30.03 91.74 51.76 -63.58 -42.00 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 63 L H H 64.04 10.26 18.98 29.74 91.85 50.08 -64.07 -41.24 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 64 L H H 83.88 4.07 20.93 24.47 91.70 49.98 -63.90 -42.18 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 I H H 69.98 5.71 19.23 25.48 91.78 49.79 -64.21 -41.79 0.10 0.00 99.90 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 66 A H H 24.28 11.36 14.68 27.50 91.28 51.45 -63.05 -42.02 0.19 0.00 99.81 0.01 0.00 0.13 99.75 0.10 0.00 0.00 0.00 67 F H H 96.26 5.39 16.42 22.86 91.94 49.72 -64.34 -41.15 0.51 0.00 99.49 0.03 0.02 0.38 99.31 0.26 0.00 0.00 0.00 68 I H H 100.33 2.73 15.85 18.72 92.40 49.27 -65.67 -40.36 1.33 0.00 98.66 0.08 0.06 1.07 98.32 0.47 0.00 0.00 0.00 69 L H H 86.60 6.01 12.80 19.86 92.76 50.12 -67.84 -33.42 6.63 0.01 93.36 0.32 0.36 5.79 92.46 1.05 0.01 0.00 0.01 70 N H H 94.63 4.76 11.68 17.91 94.57 48.89 -75.11 -12.83 36.01 0.05 63.94 0.94 1.56 33.30 62.11 2.00 0.03 0.02 0.03 71 G C T 57.48 2.12 12.32 15.39 96.80 -77.11 69.16 5.67 65.21 0.21 34.58 4.83 5.12 53.24 34.23 2.35 0.01 0.07 0.14 72 R C C 154.53 3.03 10.48 15.19 101.63 100.29 -87.59 10.38 87.16 0.79 12.05 62.15 2.57 22.23 10.45 1.72 0.00 0.37 0.51 73 L C C 93.83 8.17 11.01 20.10 110.16 112.71 -89.36 112.96 99.95 0.04 0.01 99.92 0.04 0.01 0.00 0.00 0.00 0.02 0.00