# 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 130.47 3.65 9.87 15.10 111.97 -154.65 -90.56 127.47 99.95 0.05 0.00 99.80 0.16 0.02 0.00 0.00 0.00 0.02 0.01 1 V C C 109.69 2.55 7.91 12.39 117.27 -135.50 -97.19 133.19 99.59 0.37 0.05 98.29 1.25 0.08 0.02 0.01 0.00 0.10 0.25 2 P C C 95.98 2.49 7.79 12.18 115.48 -105.78 -67.50 149.55 98.82 0.13 1.05 95.90 2.05 0.96 0.17 0.79 0.00 0.06 0.07 3 P C C 114.97 1.58 8.37 11.29 104.45 -101.32 -68.93 139.39 84.95 0.46 14.59 55.45 13.55 13.13 1.49 15.88 0.00 0.21 0.30 4 V C C 116.22 2.09 7.55 11.41 114.95 -112.83 -96.87 135.83 79.51 1.81 18.69 47.38 16.63 14.12 2.28 17.81 0.00 0.90 0.87 5 Q C C 147.48 1.22 9.66 11.82 111.28 -135.16 -90.68 119.01 82.80 2.97 14.22 62.52 11.36 7.64 2.24 13.32 0.00 1.64 1.28 6 V C C 81.79 6.58 6.46 14.53 119.78 165.03 -103.56 142.21 94.01 3.60 2.39 73.25 18.76 1.41 1.39 0.89 0.00 1.21 3.08 7 S C C 62.98 2.16 11.16 14.25 115.88 -110.01 -72.65 152.52 99.31 0.21 0.48 97.20 2.03 0.16 0.39 0.04 0.00 0.06 0.10 8 P H H 105.70 1.77 10.28 13.30 91.87 -113.66 -58.70 -36.43 5.24 0.01 94.74 0.82 0.78 3.44 93.69 1.24 0.01 0.00 0.01 9 L H H 122.71 0.90 12.18 12.38 91.94 53.25 -65.00 -39.28 3.36 0.01 96.62 0.42 0.38 2.43 95.30 1.45 0.01 0.01 0.01 10 I H H 88.31 2.86 12.01 16.09 92.65 47.70 -66.79 -40.37 1.90 0.02 98.08 0.47 0.26 1.12 96.47 1.67 0.01 0.01 0.00 11 K H H 100.64 4.25 12.29 18.17 92.26 51.29 -64.53 -41.02 2.10 0.02 97.88 0.55 0.26 1.18 96.87 1.12 0.00 0.01 0.00 12 L H H 101.00 1.52 14.87 15.83 92.16 49.79 -64.27 -40.84 6.24 0.03 93.73 0.78 0.53 4.74 92.98 0.93 0.01 0.01 0.01 13 G H H 39.26 2.04 14.68 16.77 92.27 50.36 -64.66 -40.74 9.07 0.02 90.92 1.11 0.81 6.68 90.61 0.77 0.01 0.00 0.01 14 R H H 122.85 3.19 14.14 18.30 92.39 50.58 -65.41 -40.78 6.88 0.02 93.10 1.20 0.81 4.63 92.30 1.04 0.01 0.01 0.01 15 Y H H 128.74 2.35 15.16 17.74 92.30 49.69 -64.87 -41.28 3.67 0.01 96.31 0.82 0.38 2.35 95.47 0.96 0.00 0.00 0.01 16 S H H 61.87 1.72 15.40 16.66 91.76 50.16 -64.08 -41.29 1.20 0.00 98.79 0.30 0.11 0.67 98.45 0.47 0.00 0.00 0.00 17 A H H 60.08 2.24 14.66 17.17 92.01 50.25 -64.48 -41.13 0.36 0.00 99.64 0.06 0.02 0.22 99.49 0.21 0.00 0.00 0.00 18 L H H 95.88 2.45 14.53 17.40 92.07 50.26 -64.67 -41.24 0.26 0.00 99.74 0.03 0.01 0.17 99.63 0.15 0.00 0.00 0.00 19 F H H 128.20 1.47 15.55 16.24 91.87 49.70 -64.38 -41.77 0.38 0.00 99.61 0.04 0.02 0.26 99.55 0.12 0.00 0.00 0.00 20 L H H 97.98 1.60 15.55 16.52 91.75 49.76 -64.22 -41.38 0.33 0.00 99.67 0.04 0.02 0.20 99.67 0.07 0.00 0.00 0.00 21 G H H 35.49 3.06 13.86 18.00 91.91 51.11 -63.63 -41.79 0.36 0.00 99.64 0.04 0.02 0.22 99.63 0.09 0.00 0.00 0.00 22 V H H 88.93 1.92 15.31 17.04 92.09 49.05 -65.24 -41.41 0.36 0.00 99.64 0.03 0.02 0.24 99.57 0.14 0.00 0.00 0.00 23 A H H 65.09 1.55 15.73 16.46 91.99 49.84 -65.04 -41.36 0.81 0.00 99.19 0.06 0.04 0.58 99.10 0.21 0.00 0.00 0.00 24 Y H H 129.71 1.95 14.93 16.72 92.59 48.27 -67.08 -39.48 3.08 0.01 96.92 0.30 0.22 2.31 96.70 0.46 0.00 0.00 0.00 25 G H H 32.00 3.71 13.24 18.47 92.28 53.60 -63.17 -42.46 5.21 0.01 94.77 0.72 0.45 3.64 94.01 1.16 0.01 0.00 0.01 26 A H H 62.60 1.94 14.76 16.66 92.27 49.61 -64.37 -40.53 4.65 0.02 95.34 0.62 0.44 3.23 93.73 1.96 0.01 0.00 0.01 27 T H H 83.65 1.46 15.26 15.86 92.30 49.47 -65.35 -40.82 6.34 0.03 93.63 1.08 0.72 4.24 91.44 2.48 0.02 0.01 0.01 28 R H H 130.88 2.20 13.93 16.47 92.70 49.55 -65.92 -39.83 8.82 0.04 91.14 1.71 0.97 5.86 88.11 3.29 0.02 0.02 0.02 29 Y H H 131.33 2.80 12.71 16.60 92.21 51.71 -65.57 -37.97 6.05 0.03 93.92 1.22 0.68 3.84 87.95 6.28 0.01 0.01 0.01 30 N H H 106.16 1.49 13.85 15.13 92.32 52.83 -67.40 -33.39 8.54 0.02 91.44 0.82 0.59 6.56 84.13 7.86 0.01 0.01 0.01 31 Y H H 152.74 1.52 13.53 14.83 94.28 51.34 -72.48 -33.00 18.97 0.03 80.99 1.04 1.22 16.14 74.74 6.79 0.03 0.01 0.02 32 L H H 93.34 3.61 11.51 16.59 97.40 49.52 -82.20 -19.89 28.43 0.16 71.41 3.86 3.83 21.33 66.59 4.14 0.07 0.06 0.13 33 K H H 115.15 3.09 12.63 17.05 94.75 70.85 -64.80 -42.38 11.47 0.05 88.49 6.15 2.37 3.00 86.97 1.46 0.00 0.02 0.02 34 P H H 83.20 1.79 14.70 16.09 92.62 49.88 -64.32 -40.03 4.80 0.02 95.18 2.05 0.55 2.13 93.72 1.52 0.00 0.01 0.01 35 R H H 138.08 1.80 14.57 16.23 92.45 49.75 -65.53 -40.05 1.70 0.01 98.29 0.61 0.19 0.80 97.28 1.11 0.00 0.00 0.00 36 A H H 48.11 3.20 13.01 17.70 91.97 51.04 -64.24 -41.30 1.13 0.00 98.86 0.41 0.11 0.50 98.55 0.42 0.00 0.00 0.00 37 E H H 104.55 1.73 14.94 16.38 91.71 50.37 -64.38 -40.99 0.67 0.00 99.33 0.19 0.05 0.32 99.28 0.17 0.00 0.00 0.00 38 E H H 107.01 1.63 15.05 16.17 92.06 49.88 -64.34 -41.12 0.58 0.00 99.42 0.11 0.03 0.32 99.42 0.12 0.00 0.00 0.00 39 E H H 108.67 2.04 14.51 16.70 92.10 49.84 -65.37 -40.45 0.49 0.00 99.51 0.08 0.03 0.27 99.53 0.09 0.00 0.00 0.00 40 R H H 140.08 1.74 14.58 16.23 92.06 50.55 -65.10 -40.39 0.46 0.00 99.54 0.10 0.03 0.23 99.57 0.07 0.00 0.00 0.00 41 R H H 140.70 1.39 15.39 15.97 91.99 49.80 -64.90 -41.09 0.44 0.00 99.56 0.10 0.03 0.23 99.59 0.06 0.00 0.00 0.00 42 I H H 92.47 1.84 15.26 16.82 91.99 48.91 -64.45 -42.04 0.35 0.00 99.65 0.08 0.02 0.17 99.68 0.05 0.00 0.00 0.00 43 A H H 53.90 2.29 14.85 17.55 91.62 50.47 -63.25 -41.63 0.35 0.00 99.65 0.06 0.02 0.18 99.69 0.05 0.00 0.00 0.00 44 A H H 55.08 1.92 15.00 16.92 91.77 50.05 -63.67 -41.31 0.53 0.00 99.47 0.08 0.03 0.31 99.52 0.07 0.00 0.00 0.00 45 E H H 106.85 1.61 15.49 16.49 91.85 50.03 -64.44 -41.15 0.67 0.00 99.33 0.10 0.04 0.38 99.40 0.08 0.00 0.00 0.00 46 E H H 105.66 1.85 14.80 16.53 91.64 49.84 -65.03 -40.64 1.00 0.00 99.00 0.17 0.07 0.56 99.11 0.10 0.00 0.00 0.00 47 K H H 120.55 1.52 14.94 15.97 91.76 50.62 -64.64 -40.51 1.16 0.00 98.84 0.37 0.10 0.51 98.91 0.11 0.00 0.00 0.00 48 K H H 119.64 1.46 15.14 15.92 91.79 50.26 -64.55 -40.87 0.99 0.00 99.01 0.28 0.08 0.47 99.05 0.12 0.00 0.00 0.00 49 K H H 118.20 1.61 15.14 16.30 91.85 49.60 -64.49 -41.14 0.66 0.00 99.34 0.19 0.06 0.31 99.35 0.10 0.00 0.00 0.00 50 Q H H 99.17 1.73 14.84 16.33 91.80 49.88 -64.38 -40.83 0.63 0.00 99.37 0.14 0.04 0.32 99.42 0.08 0.00 0.00 0.00 51 D H H 79.30 1.71 14.89 16.28 91.63 50.34 -64.27 -40.58 0.68 0.00 99.32 0.17 0.05 0.33 99.38 0.08 0.00 0.00 0.00 52 E H H 101.73 1.86 14.69 16.48 91.70 50.66 -64.26 -40.92 0.54 0.00 99.46 0.11 0.03 0.28 99.51 0.07 0.00 0.00 0.00 53 L H H 97.34 1.72 14.56 16.10 91.84 49.93 -64.83 -40.63 0.61 0.00 99.38 0.13 0.04 0.32 99.45 0.07 0.00 0.00 0.00 54 K H H 122.54 1.43 14.86 15.66 91.80 50.29 -64.53 -40.47 0.72 0.00 99.28 0.20 0.05 0.35 99.32 0.08 0.00 0.00 0.00 55 R H H 133.48 1.50 14.58 15.59 91.86 50.47 -64.27 -41.08 0.72 0.00 99.28 0.19 0.05 0.37 99.29 0.11 0.00 0.00 0.00 56 I H H 93.11 1.76 14.05 15.76 91.79 49.84 -64.06 -41.47 0.59 0.00 99.41 0.15 0.04 0.29 99.40 0.12 0.00 0.00 0.00 57 A H H 59.54 1.89 13.55 15.71 91.74 50.89 -63.76 -40.87 0.83 0.00 99.17 0.17 0.06 0.44 99.14 0.18 0.00 0.00 0.00 58 R H H 142.04 1.35 13.73 14.64 92.01 50.41 -65.05 -40.07 1.91 0.00 98.09 0.36 0.16 1.14 97.94 0.40 0.00 0.00 0.00 59 E H H 112.81 1.53 13.16 14.56 92.49 50.85 -64.89 -40.12 4.56 0.01 95.42 0.90 0.46 2.81 95.08 0.74 0.00 0.00 0.01 60 L H H 102.93 1.59 12.07 13.91 92.59 50.68 -66.17 -38.04 13.69 0.04 86.27 3.74 1.60 7.55 85.91 1.17 0.00 0.02 0.02 61 A H H 72.17 1.60 11.14 13.19 93.20 52.62 -68.70 -31.30 38.17 0.17 61.65 17.74 4.08 15.57 60.58 1.86 0.01 0.06 0.11 62 E C C 132.11 1.57 10.64 12.76 96.21 56.04 -76.44 -22.07 61.79 0.22 37.99 38.34 5.71 16.16 37.17 2.39 0.00 0.08 0.15 63 D C C 102.66 2.12 9.33 12.68 103.12 67.41 -77.56 15.70 70.28 0.27 29.45 51.96 6.58 10.63 27.08 3.47 0.00 0.10 0.18 64 D C C 106.46 2.07 8.62 12.06 103.35 84.89 -84.95 20.67 68.10 0.41 31.49 50.33 6.82 10.52 25.29 6.59 0.00 0.18 0.26 65 S C C 80.67 2.04 7.69 11.19 104.69 83.85 -83.81 16.72 64.70 0.79 34.51 43.58 8.59 12.18 23.26 11.57 0.00 0.36 0.45 66 I C C 138.86 1.16 7.07 9.27 102.02 63.55 -83.32 -7.15 66.21 1.48 32.31 37.65 12.63 16.14 19.72 12.35 0.01 0.71 0.78 67 L C C 132.47 1.39 6.77 9.51 105.63 68.84 -87.02 61.39 75.25 1.27 23.48 61.02 2.46 13.43 14.87 6.82 0.00 0.65 0.75 68 K C C 152.76 1.98 9.79 13.28 108.88 -153.61 -86.86 111.01 99.90 0.03 0.07 99.78 0.08 0.09 0.04 0.00 0.00 0.01 0.00