# 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 98.73 6.68 11.03 19.02 109.82 -155.09 -85.16 116.47 99.89 0.03 0.08 99.85 0.05 0.04 0.05 0.00 0.00 0.01 0.01 1 K H H 136.49 2.36 10.76 14.21 104.01 96.14 -76.20 -28.64 46.31 0.84 52.84 42.80 0.91 3.18 51.31 1.10 0.00 0.27 0.44 2 K H H 145.92 1.71 9.96 12.62 95.11 54.86 -66.92 -36.97 16.41 0.24 83.35 9.22 2.44 4.88 81.57 1.68 0.00 0.11 0.10 3 S H H 67.89 2.21 10.97 14.12 94.21 53.06 -67.88 -37.80 10.86 0.21 88.92 6.53 1.36 3.10 86.97 1.85 0.00 0.11 0.08 4 L H H 91.43 2.63 11.45 15.23 93.37 52.41 -66.08 -39.99 5.33 0.09 94.59 3.02 0.72 1.66 93.26 1.27 0.00 0.04 0.03 5 V H H 82.63 2.78 12.77 16.57 92.58 50.51 -65.51 -40.81 4.12 0.07 95.82 2.24 0.49 1.32 95.25 0.64 0.00 0.03 0.02 6 L H H 92.63 2.57 14.11 17.10 92.38 50.63 -65.48 -40.87 3.01 0.03 96.96 1.44 0.34 1.08 96.71 0.41 0.00 0.01 0.01 7 K H H 123.21 2.09 15.15 17.32 92.35 50.60 -65.67 -39.88 2.71 0.03 97.26 1.10 0.28 1.16 97.05 0.39 0.00 0.01 0.01 8 A H H 54.58 3.60 14.31 18.96 92.33 50.53 -65.47 -40.98 2.57 0.02 97.40 0.95 0.27 1.17 97.19 0.39 0.00 0.01 0.01 9 S H H 59.14 3.10 15.17 18.99 92.45 50.58 -65.24 -40.60 3.48 0.03 96.49 1.30 0.33 1.57 96.35 0.42 0.00 0.01 0.01 10 V H H 86.07 2.38 15.88 18.10 92.40 50.09 -65.27 -40.84 2.66 0.02 97.32 0.86 0.27 1.28 97.14 0.43 0.00 0.01 0.00 11 A H H 57.86 2.70 15.17 18.43 92.54 50.85 -64.60 -41.35 2.23 0.02 97.75 0.71 0.22 1.11 97.20 0.75 0.00 0.01 0.00 12 V H H 81.34 3.21 14.70 18.76 92.71 50.35 -65.69 -39.96 2.21 0.01 97.78 0.46 0.18 1.36 96.34 1.66 0.00 0.01 0.00 13 A H H 63.72 2.80 14.70 18.02 92.48 51.67 -65.32 -38.61 3.79 0.02 96.19 0.49 0.26 2.76 93.23 3.24 0.00 0.01 0.00 14 T H H 87.57 2.05 15.04 17.03 93.09 51.61 -68.15 -37.12 14.31 0.04 85.64 0.93 0.74 12.45 82.15 3.66 0.02 0.02 0.02 15 L H H 99.39 2.79 14.23 17.63 94.17 52.57 -69.56 -37.23 20.25 0.12 79.64 2.47 2.01 15.59 76.26 3.50 0.04 0.06 0.07 16 V H H 84.96 3.28 14.03 18.24 94.14 55.48 -66.36 -40.88 18.58 0.35 81.08 8.03 3.62 7.71 68.94 11.35 0.02 0.19 0.14 17 P H H 80.42 2.83 14.77 17.96 93.31 52.26 -65.93 -39.47 18.00 0.29 81.71 7.95 2.07 7.86 68.28 13.53 0.01 0.20 0.09 18 M H H 108.53 2.66 14.60 17.74 93.29 52.66 -67.50 -37.85 11.63 0.19 88.17 4.50 1.77 5.35 72.34 15.84 0.01 0.12 0.06 19 L H H 92.57 3.35 13.92 18.30 93.71 54.08 -66.81 -39.00 12.30 0.26 87.45 4.75 2.04 5.71 73.77 13.47 0.02 0.16 0.09 20 S H H 63.93 3.19 13.55 17.67 93.87 53.31 -67.30 -37.85 16.68 0.29 83.02 5.66 2.44 8.49 69.09 14.01 0.03 0.18 0.11 21 F H H 132.73 2.61 13.57 16.81 93.94 52.63 -68.87 -34.20 22.35 0.44 77.21 6.96 3.89 11.93 64.20 12.51 0.07 0.24 0.20 22 A H H 71.05 3.10 12.46 16.76 95.54 57.70 -74.86 -20.68 37.15 0.72 62.13 15.05 6.82 17.12 51.96 8.24 0.07 0.34 0.41 23 A C H 70.39 3.91 10.63 16.18 101.73 75.27 -77.11 -6.67 57.80 1.26 40.94 26.13 11.45 21.77 32.49 6.84 0.04 0.54 0.74 24 E C C 140.93 2.12 11.33 14.57 103.67 77.91 -82.24 17.97 73.48 1.27 25.25 30.26 17.03 26.94 18.95 5.48 0.02 0.51 0.82 25 G C C 54.28 2.36 12.12 15.53 109.88 32.40 82.22 -44.74 88.69 0.79 10.53 37.37 26.13 25.56 6.15 3.95 0.00 0.32 0.52 26 D C C 106.43 3.03 11.50 15.95 105.86 4.69 -83.14 45.49 90.11 0.87 9.03 45.71 32.61 11.97 6.06 2.69 0.00 0.31 0.65 27 D C C 84.31 4.32 11.74 17.52 109.49 64.15 -89.97 112.49 86.27 0.34 13.39 65.25 16.44 2.75 14.36 0.86 0.00 0.09 0.23 28 P H H 88.83 3.09 12.73 17.16 94.75 -147.74 -63.37 -35.25 14.67 0.08 85.25 6.09 2.20 6.63 83.17 1.83 0.01 0.03 0.05 29 A H H 60.59 3.42 13.27 17.75 92.84 52.60 -65.57 -39.59 7.00 0.04 92.96 2.14 0.90 3.83 91.39 1.68 0.01 0.02 0.02 30 K H H 110.20 3.23 14.81 18.80 92.38 51.73 -65.46 -40.43 2.50 0.02 97.48 1.06 0.34 1.09 96.28 1.21 0.00 0.01 0.00 31 A H H 56.67 2.46 15.36 18.06 92.20 50.88 -64.38 -41.15 1.45 0.01 98.54 0.61 0.18 0.62 98.04 0.55 0.00 0.00 0.00 32 A H H 56.51 2.53 15.51 18.37 91.87 50.28 -64.15 -41.65 1.00 0.01 99.00 0.33 0.10 0.47 98.82 0.28 0.00 0.00 0.00 33 F H H 104.49 4.01 14.84 19.80 91.91 49.61 -64.66 -40.98 0.76 0.00 99.24 0.23 0.07 0.37 99.14 0.19 0.00 0.00 0.00 34 N H H 90.61 2.47 16.52 19.09 91.89 50.49 -64.31 -40.84 0.75 0.00 99.25 0.22 0.07 0.36 99.23 0.12 0.00 0.00 0.00 35 S H H 66.50 1.80 17.08 18.05 92.18 50.16 -65.00 -40.57 0.95 0.00 99.05 0.21 0.08 0.53 99.07 0.12 0.00 0.00 0.00 36 L H H 85.98 3.64 15.65 19.96 92.09 49.74 -65.31 -41.11 0.73 0.00 99.27 0.16 0.06 0.38 99.30 0.10 0.00 0.00 0.00 37 Q H H 96.25 3.99 16.01 20.84 91.84 50.94 -64.04 -41.34 0.70 0.00 99.30 0.16 0.06 0.36 99.33 0.09 0.00 0.00 0.00 38 A H H 58.86 2.00 17.39 18.71 91.78 50.10 -64.20 -41.51 1.14 0.00 98.86 0.21 0.09 0.67 98.90 0.13 0.00 0.00 0.00 39 S H H 60.97 2.34 17.17 19.22 92.01 49.68 -65.31 -40.53 1.81 0.00 98.19 0.32 0.15 1.12 98.21 0.20 0.00 0.00 0.00 40 A H H 46.79 5.08 14.30 20.88 92.01 50.99 -64.04 -40.81 1.66 0.00 98.34 0.41 0.16 0.89 98.28 0.26 0.00 0.00 0.00 41 T H H 79.57 2.45 16.69 19.17 92.00 50.59 -64.76 -40.34 1.79 0.00 98.21 0.42 0.17 1.04 97.95 0.42 0.00 0.00 0.00 42 E H H 119.86 1.52 17.09 17.54 92.16 50.28 -65.41 -40.46 2.64 0.01 97.35 0.29 0.18 1.93 97.00 0.59 0.00 0.00 0.00 43 Y H H 122.01 3.46 15.59 19.67 92.65 49.22 -65.95 -40.79 2.90 0.01 97.09 0.37 0.24 2.09 96.50 0.79 0.00 0.00 0.00 44 I H H 87.13 4.50 14.83 20.43 92.20 50.59 -64.43 -40.95 2.43 0.01 97.56 0.36 0.21 1.69 96.05 1.68 0.00 0.00 0.00 45 G H H 40.69 2.23 16.05 18.23 92.26 51.27 -64.77 -39.49 6.92 0.01 93.07 0.38 0.31 6.01 90.59 2.70 0.01 0.00 0.00 46 Y H H 142.91 2.04 15.92 17.73 93.35 49.47 -70.07 -35.68 16.17 0.02 83.82 0.50 0.68 15.03 80.92 2.83 0.01 0.01 0.01 47 A H H 48.57 5.39 13.28 20.21 92.99 53.57 -66.88 -37.56 10.50 0.02 89.48 0.94 0.79 8.42 88.49 1.32 0.01 0.01 0.01 48 W H H 148.90 2.72 15.15 18.46 92.23 56.47 -63.47 -41.46 3.27 0.01 96.72 0.60 0.26 2.22 95.29 1.62 0.00 0.00 0.00 49 A H H 63.61 1.87 16.07 17.47 92.06 50.49 -64.72 -40.53 2.76 0.01 97.23 0.35 0.15 2.16 95.67 1.66 0.00 0.01 0.00 50 M H H 100.82 2.76 15.52 18.66 92.48 49.30 -65.74 -40.90 1.01 0.00 98.98 0.13 0.06 0.74 98.41 0.65 0.00 0.00 0.00 51 V H H 73.84 4.20 14.69 20.05 92.23 50.55 -64.18 -41.93 0.22 0.00 99.78 0.05 0.01 0.10 99.78 0.05 0.00 0.00 0.00 52 V H H 85.92 2.12 16.27 18.19 91.93 49.98 -64.14 -41.80 0.11 0.00 99.89 0.02 0.00 0.05 99.90 0.02 0.00 0.00 0.00 53 V H H 87.29 1.98 16.66 18.14 92.15 49.42 -65.19 -41.60 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 54 I H H 87.40 3.54 15.89 20.12 92.24 48.78 -65.43 -41.95 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 V H H 77.41 3.19 16.16 19.89 91.88 48.79 -64.40 -42.09 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 56 G H H 38.41 2.15 16.30 18.29 91.81 50.23 -63.94 -41.27 0.47 0.00 99.53 0.05 0.02 0.30 99.59 0.04 0.00 0.00 0.00 57 A H H 58.80 2.54 15.96 18.70 92.10 50.53 -65.15 -40.98 0.83 0.00 99.17 0.07 0.04 0.57 99.26 0.06 0.00 0.00 0.00 58 T H H 70.91 3.17 15.80 19.39 92.36 49.90 -65.11 -41.46 1.04 0.00 98.95 0.11 0.06 0.73 99.02 0.08 0.00 0.00 0.00 59 I H H 94.67 2.15 16.19 18.07 91.97 49.31 -64.55 -41.69 1.01 0.00 98.98 0.14 0.07 0.69 98.99 0.11 0.00 0.00 0.00 60 G H H 37.08 2.15 15.24 17.55 91.87 50.68 -64.13 -41.96 1.44 0.01 98.55 0.26 0.09 0.93 98.55 0.16 0.00 0.00 0.00 61 I H H 94.12 2.20 15.20 17.43 91.91 49.43 -64.54 -41.56 0.80 0.01 99.19 0.14 0.06 0.51 99.11 0.15 0.00 0.00 0.00 62 K H H 111.16 2.50 15.02 17.85 92.20 50.53 -64.35 -40.86 0.93 0.02 99.05 0.19 0.08 0.61 98.90 0.21 0.00 0.01 0.00 63 L H H 92.69 1.89 14.94 16.69 91.80 49.87 -64.49 -41.43 1.09 0.02 98.89 0.18 0.08 0.75 98.66 0.30 0.00 0.01 0.00 64 F H H 120.51 1.71 14.53 15.97 91.97 49.75 -64.43 -41.11 1.69 0.09 98.22 0.38 0.19 1.08 97.82 0.44 0.00 0.07 0.02 65 K H H 115.46 2.20 13.80 16.44 92.07 50.82 -65.19 -40.44 3.13 0.18 96.69 0.85 0.34 1.88 96.03 0.71 0.00 0.15 0.03 66 K H H 121.14 1.95 13.52 15.74 92.51 50.95 -65.34 -40.12 5.61 0.14 94.24 1.21 0.59 3.63 93.37 1.05 0.01 0.09 0.04 67 F H H 129.64 1.44 13.01 14.22 93.03 49.22 -66.15 -39.90 8.63 0.18 91.18 2.15 1.17 5.17 89.87 1.47 0.01 0.11 0.06 68 T H H 84.43 1.81 11.48 13.86 93.34 52.19 -67.50 -37.14 15.99 0.30 83.72 5.37 2.64 8.11 81.77 1.83 0.02 0.14 0.12 69 S H H 77.29 1.97 10.07 13.09 95.20 54.27 -71.05 -29.09 31.90 0.41 67.69 10.57 4.70 16.76 65.00 2.55 0.02 0.18 0.20 70 K H H 155.43 1.21 9.25 11.16 97.39 59.56 -76.78 -20.08 44.75 0.85 54.40 15.92 8.01 21.68 50.55 2.99 0.04 0.36 0.44 71 A C C 88.99 1.32 7.91 10.29 102.20 65.73 -83.59 0.12 66.51 0.80 32.69 42.64 2.06 19.77 32.92 1.81 0.00 0.33 0.45 72 S C C 83.32 2.43 10.16 14.09 107.81 88.08 -86.33 73.22 99.91 0.05 0.04 99.82 0.06 0.07 0.03 0.00 0.00 0.02 0.01