# 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 122.73 4.58 11.24 17.34 113.37 -157.72 -93.72 128.46 99.97 0.02 0.01 99.92 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 S C C 76.41 3.79 9.29 14.82 114.61 -148.03 -89.94 139.49 94.94 0.78 4.28 90.80 0.71 4.04 2.96 0.72 0.00 0.35 0.40 2 Y C C 174.21 2.16 9.48 13.11 108.62 -143.68 -89.85 89.34 86.84 1.58 11.59 55.28 22.49 8.70 9.57 2.29 0.00 0.60 1.08 3 M C C 97.26 6.02 8.71 16.50 116.35 89.45 -91.55 136.97 84.16 0.86 14.98 41.24 35.14 6.65 14.47 1.71 0.00 0.31 0.48 4 P C C 68.61 4.73 10.93 17.53 112.39 -105.93 -67.47 147.47 82.40 0.53 17.07 69.57 5.04 6.12 17.40 1.37 0.00 0.22 0.29 5 R H H 162.83 2.36 11.73 15.33 94.42 -120.45 -63.36 -35.72 13.97 0.11 85.91 6.50 3.08 4.84 83.79 1.70 0.01 0.04 0.06 6 N H H 99.86 2.37 13.22 16.07 94.16 52.57 -66.87 -38.55 9.45 0.07 90.48 3.22 1.67 4.64 88.94 1.46 0.01 0.03 0.03 7 V H H 72.54 4.44 12.65 18.41 93.22 50.23 -66.81 -40.73 4.46 0.05 95.49 1.97 0.67 1.95 94.27 1.10 0.00 0.02 0.02 8 R H H 127.13 3.27 14.60 18.76 92.14 51.29 -64.51 -41.53 1.32 0.01 98.67 0.61 0.17 0.50 98.43 0.29 0.00 0.00 0.00 9 E H H 100.18 2.79 15.83 18.95 92.11 50.44 -64.69 -40.86 0.98 0.00 99.02 0.32 0.09 0.45 98.96 0.18 0.00 0.00 0.00 10 T H H 63.78 4.08 15.72 20.68 92.24 50.33 -64.89 -41.36 1.04 0.00 98.96 0.30 0.10 0.53 98.93 0.15 0.00 0.00 0.00 11 V H H 66.78 4.24 15.82 21.01 92.03 49.85 -64.65 -41.85 0.68 0.00 99.31 0.19 0.06 0.32 99.34 0.08 0.00 0.00 0.00 12 E H H 101.03 2.85 17.23 20.13 91.88 50.42 -64.20 -41.33 0.53 0.00 99.47 0.12 0.04 0.25 99.53 0.06 0.00 0.00 0.00 13 R H H 121.35 3.77 16.95 21.32 92.12 49.98 -64.67 -41.20 0.48 0.00 99.51 0.08 0.03 0.26 99.57 0.05 0.00 0.00 0.00 14 N H H 79.31 4.55 16.56 21.77 91.98 50.09 -65.24 -40.28 0.40 0.00 99.60 0.07 0.02 0.21 99.65 0.05 0.00 0.00 0.00 15 E H H 102.65 2.74 17.82 20.35 91.97 50.38 -65.02 -40.57 0.38 0.00 99.62 0.06 0.02 0.21 99.67 0.05 0.00 0.00 0.00 16 M H H 90.91 3.67 17.27 21.47 92.11 50.23 -64.67 -41.66 0.36 0.00 99.64 0.05 0.02 0.21 99.68 0.05 0.00 0.00 0.00 17 Y H H 101.81 5.46 16.41 22.83 92.15 49.51 -65.20 -41.01 0.40 0.00 99.60 0.05 0.02 0.22 99.65 0.05 0.00 0.00 0.00 18 A H H 48.96 3.66 16.94 21.23 91.78 50.92 -63.37 -41.52 0.46 0.00 99.54 0.06 0.03 0.26 99.59 0.05 0.00 0.00 0.00 19 R H H 132.92 2.21 18.57 20.17 91.86 49.88 -64.84 -41.20 0.49 0.00 99.51 0.07 0.03 0.28 99.56 0.06 0.00 0.00 0.00 20 L H H 70.26 4.98 15.95 22.29 91.94 50.28 -64.54 -40.90 0.45 0.00 99.55 0.06 0.03 0.26 99.58 0.06 0.00 0.00 0.00 21 Q H H 91.19 4.16 17.14 21.86 92.01 50.73 -64.38 -41.05 0.51 0.00 99.48 0.09 0.03 0.28 99.53 0.07 0.00 0.00 0.00 22 K H H 116.61 2.34 17.99 19.78 92.01 50.09 -64.77 -41.06 0.60 0.00 99.40 0.09 0.04 0.34 99.45 0.07 0.00 0.00 0.00 23 Q H H 87.68 3.61 16.95 21.15 92.04 49.38 -65.05 -40.97 0.72 0.00 99.28 0.12 0.05 0.41 99.33 0.08 0.00 0.00 0.00 24 N H H 72.74 4.63 16.19 21.84 92.31 50.51 -64.67 -40.50 0.91 0.00 99.09 0.21 0.07 0.47 99.14 0.10 0.00 0.00 0.00 25 K H H 113.46 2.66 17.49 19.98 92.11 50.47 -64.55 -40.89 0.78 0.00 99.21 0.16 0.06 0.41 99.27 0.10 0.00 0.00 0.00 26 E H H 100.64 3.17 17.25 20.68 92.16 50.08 -64.84 -41.00 0.65 0.00 99.35 0.12 0.05 0.35 99.39 0.09 0.00 0.00 0.00 27 E H H 95.64 4.38 16.57 21.70 92.12 50.05 -64.91 -40.84 0.62 0.00 99.38 0.12 0.05 0.33 99.41 0.09 0.00 0.00 0.00 28 L H H 89.91 3.52 17.30 21.18 91.98 50.08 -64.68 -40.99 0.62 0.00 99.38 0.12 0.05 0.34 99.40 0.09 0.00 0.00 0.00 29 R H H 130.48 2.98 17.95 20.98 92.03 50.12 -64.86 -41.06 0.73 0.00 99.27 0.12 0.05 0.42 99.32 0.09 0.00 0.00 0.00 30 T H H 64.35 4.55 17.15 22.47 92.02 49.69 -64.93 -40.93 0.64 0.00 99.36 0.11 0.05 0.35 99.41 0.07 0.00 0.00 0.00 31 A H H 48.93 4.86 17.30 23.12 92.09 50.92 -64.46 -40.75 0.43 0.00 99.57 0.08 0.03 0.21 99.62 0.06 0.00 0.00 0.00 32 I H H 85.44 3.79 18.55 22.38 92.06 49.78 -64.92 -41.61 0.44 0.00 99.56 0.07 0.03 0.24 99.59 0.07 0.00 0.00 0.00 33 I H H 81.08 4.02 18.28 22.83 92.14 48.87 -64.90 -41.76 0.37 0.00 99.63 0.06 0.02 0.21 99.64 0.07 0.00 0.00 0.00 34 A H H 38.79 5.77 15.93 23.36 91.93 51.14 -63.79 -41.40 0.57 0.00 99.43 0.09 0.04 0.32 99.44 0.11 0.00 0.00 0.00 35 Q H H 96.49 3.40 18.14 21.59 92.12 50.60 -64.42 -40.91 1.12 0.00 98.87 0.15 0.07 0.73 98.83 0.22 0.00 0.00 0.00 36 W H H 125.89 3.11 16.91 20.33 92.30 49.90 -64.71 -41.87 1.59 0.00 98.41 0.27 0.13 0.98 98.23 0.38 0.00 0.00 0.00 37 T H H 64.40 4.45 15.62 21.12 92.40 49.96 -65.27 -40.31 3.42 0.01 96.57 0.75 0.34 2.05 96.20 0.64 0.00 0.00 0.01 38 E H H 91.27 4.71 14.64 20.37 92.61 51.16 -65.80 -38.23 8.40 0.04 91.56 1.92 1.00 5.21 90.27 1.55 0.01 0.02 0.02 39 R H H 139.04 2.41 15.16 17.92 92.68 51.92 -67.43 -36.84 15.86 0.08 84.06 3.11 1.99 10.61 81.06 3.13 0.03 0.03 0.05 40 D H H 86.24 3.67 13.46 18.32 94.07 53.49 -70.86 -27.44 27.85 0.17 71.97 7.53 3.62 16.99 66.90 4.77 0.03 0.07 0.11 41 L H H 92.60 5.99 11.22 18.59 95.41 61.61 -75.82 -16.39 46.97 0.50 52.52 15.66 7.41 25.11 45.23 6.01 0.04 0.22 0.31 42 Q C T 125.77 2.74 12.16 16.02 99.09 68.58 -82.61 -5.91 65.34 1.03 33.63 27.24 11.36 27.91 27.49 4.93 0.03 0.40 0.64 43 R C C 141.82 3.91 9.69 15.59 115.33 102.16 -90.45 133.67 90.06 0.92 9.02 44.44 38.10 7.36 7.66 1.45 0.00 0.28 0.71 44 P C C 95.17 3.22 10.23 15.26 115.24 -113.48 -77.83 144.22 98.16 0.64 1.19 77.49 16.79 3.87 0.68 0.46 0.00 0.27 0.44 45 P C C 92.47 3.71 9.81 15.38 114.32 -103.48 -71.93 146.47 98.29 0.53 1.18 81.35 12.94 4.04 0.48 0.61 0.00 0.24 0.34 46 P C C 104.82 2.66 9.30 13.59 109.20 -102.91 -69.24 141.69 95.49 0.74 3.77 69.45 12.72 13.34 1.25 2.43 0.00 0.37 0.44 47 S C C 83.95 2.38 8.71 12.67 111.66 -138.36 -92.89 133.58 91.87 1.35 6.78 61.21 15.25 15.38 2.80 3.86 0.00 0.63 0.87 48 T C C 115.06 1.26 9.40 11.43 103.58 -115.67 -87.55 10.83 88.79 0.86 10.35 41.82 20.54 26.80 5.13 4.77 0.00 0.36 0.57 49 G C C 52.45 2.47 10.29 14.11 108.29 41.49 34.90 -3.30 84.56 1.30 14.14 37.92 24.61 22.68 8.31 5.15 0.01 0.55 0.78 50 L C C 107.65 3.87 9.41 14.96 111.84 70.58 -87.45 126.87 73.08 4.81 22.10 50.77 16.22 6.25 18.25 3.91 0.02 2.21 2.37 51 T C C 81.21 4.20 10.96 16.72 112.96 -149.31 -89.13 139.13 65.88 5.02 29.10 51.94 7.31 6.38 25.79 3.84 0.01 2.80 1.94 52 K H H 133.15 3.55 12.28 17.17 97.99 -121.44 -70.33 -27.34 44.14 1.69 54.16 28.35 8.01 9.36 47.19 5.53 0.02 0.90 0.63 53 A H H 62.17 4.63 12.11 18.15 100.73 57.45 -70.60 -23.95 36.73 1.03 62.24 21.63 6.45 9.97 54.89 6.12 0.02 0.56 0.37 54 S H H 61.52 4.73 13.04 19.08 96.65 53.53 -69.54 -37.02 30.20 1.06 68.75 20.00 4.52 7.14 61.14 6.24 0.01 0.60 0.36 55 I H H 93.57 4.76 13.03 19.05 94.82 53.77 -69.09 -38.63 21.68 0.98 77.34 14.36 3.96 5.16 70.28 5.37 0.01 0.58 0.28 56 T H H 79.72 3.55 14.82 19.21 95.38 53.55 -69.12 -38.89 23.42 1.09 75.49 15.98 3.57 5.46 69.30 4.72 0.01 0.66 0.30 57 L H H 90.13 5.02 13.86 20.00 95.69 51.27 -68.87 -37.39 23.60 0.79 75.62 14.20 4.21 6.87 68.86 5.13 0.02 0.43 0.27 58 A H H 65.31 4.23 14.60 19.86 95.24 54.25 -69.51 -35.10 29.77 0.53 69.69 12.94 5.14 12.26 65.63 3.52 0.02 0.25 0.23 59 G H H 39.65 4.25 14.57 19.91 97.56 50.16 -67.11 -35.44 45.22 0.41 54.37 18.96 7.42 18.81 51.40 3.00 0.01 0.16 0.22 60 T H H 70.80 4.82 13.77 19.69 98.48 61.00 -72.05 -37.54 34.97 0.45 64.58 22.35 5.75 6.92 62.51 2.10 0.00 0.17 0.20 61 S H H 62.47 3.82 14.49 19.13 95.93 52.35 -68.22 -39.10 16.25 0.18 83.57 9.57 2.93 4.35 81.43 1.58 0.00 0.07 0.07 62 S H H 64.56 2.96 15.22 18.64 93.65 52.02 -66.68 -40.01 10.87 0.12 89.01 5.99 1.99 3.48 87.06 1.37 0.00 0.05 0.05 63 D H H 91.24 2.79 15.50 18.70 92.91 50.46 -66.27 -39.92 5.62 0.07 94.32 3.09 0.85 1.95 93.03 1.02 0.00 0.03 0.02 64 R H H 130.55 3.57 15.72 19.94 92.39 50.06 -65.30 -40.46 3.14 0.03 96.83 1.36 0.47 1.31 96.21 0.62 0.00 0.01 0.01 65 D H H 79.98 3.53 16.70 20.71 92.43 49.75 -65.46 -39.96 2.60 0.02 97.38 1.05 0.36 1.14 96.97 0.46 0.00 0.01 0.01 66 A H H 52.54 3.50 16.81 20.98 92.00 51.00 -64.42 -40.82 2.11 0.01 97.88 0.66 0.28 1.06 97.61 0.38 0.00 0.00 0.00 67 G H H 32.38 4.35 16.72 22.09 92.30 50.98 -63.54 -41.76 2.62 0.01 97.37 0.73 0.29 1.42 97.17 0.37 0.00 0.00 0.01 68 I H H 84.98 4.66 17.13 22.52 92.15 49.59 -65.06 -41.08 2.44 0.02 97.54 0.86 0.30 1.18 97.27 0.36 0.00 0.00 0.01 69 K H H 118.85 2.72 18.59 21.31 91.96 50.44 -64.52 -41.22 2.08 0.02 97.90 0.72 0.25 1.04 97.68 0.29 0.00 0.01 0.01 70 S H H 57.14 3.18 18.29 21.51 91.91 49.88 -64.51 -40.81 2.35 0.01 97.64 0.64 0.24 1.30 97.52 0.30 0.00 0.00 0.00 71 G H H 28.89 5.27 16.67 23.17 91.89 51.15 -63.47 -41.73 2.29 0.01 97.70 0.57 0.22 1.28 97.68 0.24 0.00 0.00 0.00 72 V H H 74.40 4.66 17.93 23.27 91.87 50.35 -64.38 -41.18 1.50 0.00 98.50 0.42 0.16 0.76 98.51 0.16 0.00 0.00 0.00 73 Q H H 100.08 2.75 19.08 21.47 92.12 50.48 -64.94 -41.17 0.52 0.00 99.48 0.14 0.05 0.25 99.49 0.08 0.00 0.00 0.00 74 T H H 68.49 3.98 18.37 22.64 91.99 49.63 -64.91 -41.71 0.40 0.00 99.60 0.10 0.04 0.19 99.61 0.06 0.00 0.00 0.00 75 V H H 66.16 6.10 17.19 24.13 91.88 49.73 -64.42 -42.05 0.30 0.00 99.70 0.07 0.02 0.15 99.71 0.04 0.00 0.00 0.00 76 K H H 108.43 3.58 18.94 22.74 91.66 50.27 -64.04 -41.29 0.28 0.00 99.72 0.06 0.02 0.15 99.74 0.04 0.00 0.00 0.00 77 A H H 53.75 3.21 18.65 21.96 91.67 50.14 -63.91 -41.41 0.26 0.00 99.74 0.04 0.02 0.14 99.76 0.03 0.00 0.00 0.00 78 A H H 46.42 5.24 17.25 23.53 91.76 50.16 -64.02 -41.35 0.26 0.00 99.74 0.04 0.02 0.14 99.77 0.03 0.00 0.00 0.00 79 R H H 112.08 5.16 17.99 23.60 91.89 50.00 -64.33 -41.38 0.32 0.00 99.68 0.05 0.02 0.18 99.72 0.04 0.00 0.00 0.00 80 Q H H 99.00 2.86 18.82 21.44 91.85 49.67 -64.42 -40.95 0.45 0.00 99.55 0.05 0.02 0.27 99.61 0.04 0.00 0.00 0.00 81 A H H 47.80 3.51 17.54 21.68 91.55 50.75 -64.17 -41.29 0.59 0.00 99.41 0.09 0.04 0.35 99.47 0.05 0.00 0.00 0.00 82 R H H 119.52 4.12 17.65 22.08 91.86 50.53 -64.34 -40.74 0.72 0.00 99.28 0.13 0.04 0.42 99.35 0.07 0.00 0.00 0.00 83 L H H 82.03 4.40 16.75 21.84 91.84 50.42 -64.51 -41.11 0.46 0.00 99.54 0.10 0.03 0.24 99.55 0.08 0.00 0.00 0.00 84 R H H 130.14 2.55 17.70 20.27 91.51 50.26 -63.95 -41.09 0.27 0.00 99.73 0.04 0.01 0.15 99.75 0.06 0.00 0.00 0.00 85 E H H 98.20 2.67 17.61 20.15 91.61 49.92 -64.31 -41.13 0.29 0.00 99.71 0.03 0.01 0.17 99.73 0.05 0.00 0.00 0.00 86 L H H 74.50 4.33 16.48 21.65 91.81 50.64 -63.57 -42.05 0.29 0.00 99.71 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 87 F H H 101.52 4.48 16.11 21.42 91.88 49.59 -64.31 -41.35 0.30 0.00 99.70 0.03 0.02 0.19 99.71 0.05 0.00 0.00 0.00 88 E H H 106.65 2.53 17.16 19.77 91.70 50.11 -64.30 -41.15 0.32 0.00 99.67 0.03 0.02 0.20 99.71 0.05 0.00 0.00 0.00 89 R H H 134.33 2.02 17.96 19.32 91.79 49.94 -64.85 -41.17 0.37 0.00 99.63 0.04 0.02 0.25 99.62 0.07 0.00 0.00 0.00 90 E H H 88.41 4.36 16.82 21.67 92.01 49.60 -64.35 -40.92 0.67 0.00 99.33 0.06 0.03 0.48 99.30 0.13 0.00 0.00 0.00 91 A H H 43.45 5.66 15.40 22.61 91.86 50.68 -64.07 -40.63 1.56 0.00 98.44 0.10 0.06 1.25 98.38 0.21 0.00 0.00 0.00 92 L H H 87.71 2.54 17.54 20.01 91.75 50.92 -64.29 -41.22 2.21 0.00 97.79 0.13 0.11 1.79 97.72 0.25 0.00 0.00 0.00 93 M H H 95.86 2.47 17.94 19.95 91.85 50.13 -64.46 -41.40 0.53 0.00 99.47 0.09 0.04 0.31 99.48 0.08 0.00 0.00 0.00 94 Y H H 95.87 5.74 15.82 22.62 92.21 49.53 -64.75 -41.65 0.26 0.00 99.74 0.03 0.01 0.15 99.75 0.06 0.00 0.00 0.00 95 E H H 84.89 5.58 15.51 22.28 91.73 50.82 -63.86 -41.08 0.23 0.00 99.77 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 96 K H H 121.51 1.47 17.84 17.96 91.75 50.21 -64.20 -41.42 0.26 0.00 99.74 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 97 E H H 93.02 2.77 16.03 18.96 92.08 49.45 -64.58 -41.11 0.52 0.00 99.48 0.05 0.03 0.34 99.45 0.13 0.00 0.00 0.00 98 L H H 44.18 7.97 11.10 21.22 92.09 49.98 -64.42 -41.32 1.16 0.00 98.84 0.15 0.08 0.81 98.46 0.50 0.00 0.00 0.00 99 N H H 98.48 2.91 12.64 16.80 92.31 51.14 -64.27 -39.38 2.69 0.00 97.30 0.24 0.13 2.11 95.90 1.60 0.00 0.00 0.00 100 A H H 92.07 0.81 12.74 12.80 91.03 54.45 -66.48 -26.08 15.06 0.02 84.92 0.39 0.46 14.79 82.27 2.06 0.01 0.00 0.01 101 R C T 153.58 2.17 11.12 14.21 93.77 51.53 -89.89 2.06 83.54 0.02 16.44 0.40 1.26 82.58 14.36 1.36 0.00 0.01 0.02 102 G C T 61.59 0.97 12.89 13.59 96.14 -104.94 80.87 13.30 99.63 0.01 0.37 1.08 1.45 97.24 0.18 0.05 0.00 0.00 0.00 103 L C C 89.47 5.11 9.40 16.50 119.74 125.77 -107.47 145.75 97.09 2.47 0.44 89.68 6.64 0.79 0.17 0.20 0.00 1.18 1.34 104 S C C 66.24 4.47 10.88 17.25 121.04 -134.32 -98.85 146.95 90.18 8.24 1.58 78.73 8.54 2.75 0.54 1.05 0.00 5.63 2.77 105 L C C 108.53 4.98 11.13 17.74 103.87 -152.14 -90.79 -13.77 85.17 12.52 2.30 49.55 27.19 9.20 0.59 1.86 0.00 8.74 2.85 106 V C C 103.81 3.56 9.61 15.07 119.97 48.06 -108.38 136.26 86.43 11.60 1.96 50.96 26.11 9.82 0.38 1.77 0.00 9.07 1.89 107 K C C 143.19 2.55 9.33 14.02 120.24 -160.99 -112.38 134.40 90.61 9.08 0.31 58.77 31.45 1.08 0.08 0.25 0.00 7.12 1.25 108 P C C 105.42 2.67 8.51 13.24 112.29 -108.91 -67.71 141.20 93.78 5.58 0.64 87.09 4.43 2.34 0.14 0.52 0.00 4.48 1.01 109 R C C 174.00 2.21 6.88 10.99 110.96 -138.63 -90.00 128.33 98.26 1.25 0.49 95.26 0.97 2.39 0.12 0.21 0.00 0.62 0.43 110 D C C 125.24 1.15 9.97 11.82 105.56 -124.34 -83.78 75.71 99.97 0.02 0.01 99.86 0.09 0.04 0.00 0.00 0.00 0.01 0.00