# 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 95.37 9.84 14.10 24.59 114.87 -163.58 -97.60 129.95 99.96 0.03 0.01 99.93 0.03 0.01 0.00 0.00 0.00 0.01 0.00 1 T C C 56.99 9.08 13.53 23.93 118.30 -145.82 -93.27 141.49 94.89 2.49 2.63 93.91 0.70 0.70 2.32 0.20 0.00 1.00 1.17 2 V C C 67.95 5.77 17.96 24.57 114.98 -123.57 -82.04 149.31 85.40 4.12 10.48 77.60 5.10 1.55 11.28 0.62 0.00 1.29 2.56 3 A H H 24.30 18.09 11.73 29.29 93.46 -113.24 -59.97 -38.83 7.61 0.06 92.33 3.71 1.41 2.69 90.17 1.95 0.00 0.03 0.02 4 K H H 127.57 2.84 18.13 21.50 91.95 54.51 -63.70 -39.30 3.28 0.02 96.69 0.88 0.50 1.81 94.00 2.80 0.00 0.01 0.01 5 E H H 97.96 3.22 18.56 21.90 92.31 50.16 -65.82 -39.46 2.20 0.02 97.79 0.49 0.27 1.30 94.44 3.48 0.00 0.01 0.00 6 L H H 14.48 19.88 12.07 31.75 92.25 51.36 -66.23 -39.15 2.34 0.01 97.65 0.36 0.25 1.52 93.78 4.09 0.00 0.00 0.00 7 R H H 99.77 12.40 15.34 27.92 91.27 57.25 -66.41 -27.17 21.20 0.02 78.78 0.58 0.75 20.09 75.15 3.39 0.01 0.01 0.01 8 Q C T 141.25 1.15 18.99 18.57 94.21 54.53 -86.23 -7.65 59.58 0.03 40.40 1.28 2.04 56.20 37.53 2.91 0.00 0.01 0.03 9 K C S 58.60 13.15 9.47 23.17 121.02 101.98 -79.41 152.56 98.72 0.19 1.09 35.21 62.25 1.09 1.08 0.12 0.00 0.03 0.21 10 S C C 57.64 2.46 19.57 21.07 120.22 -110.40 -73.97 162.29 99.21 0.33 0.46 98.53 0.59 0.16 0.35 0.03 0.00 0.05 0.28 11 S H H 53.72 12.74 12.39 25.33 92.27 -104.36 -59.47 -38.14 1.98 0.00 98.01 0.38 0.37 1.04 97.94 0.27 0.00 0.00 0.00 12 E H H 131.81 1.55 18.81 19.48 91.67 53.04 -64.27 -40.10 0.80 0.00 99.20 0.07 0.06 0.58 99.02 0.26 0.00 0.00 0.00 13 E H H 87.57 4.11 18.74 23.34 91.66 49.27 -65.05 -40.44 0.36 0.00 99.64 0.05 0.02 0.23 99.42 0.27 0.00 0.00 0.00 14 L H H 11.03 19.77 13.12 33.29 91.72 50.28 -63.61 -42.67 0.13 0.00 99.87 0.02 0.01 0.07 99.84 0.07 0.00 0.00 0.00 15 V H H 57.07 9.67 18.91 29.38 91.25 50.74 -63.19 -41.67 0.17 0.00 99.83 0.01 0.00 0.09 99.86 0.02 0.00 0.00 0.00 16 K H H 122.75 1.53 23.26 22.41 91.72 49.76 -64.14 -42.02 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 17 L H H 45.71 10.14 19.67 30.89 91.81 49.30 -65.03 -41.40 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 18 V H H 13.31 19.77 16.03 35.88 91.66 50.57 -63.76 -42.50 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 19 I H H 87.79 4.24 22.14 26.44 91.48 50.12 -63.81 -41.24 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 20 K H H 121.13 2.05 23.16 23.79 91.69 49.68 -64.51 -41.29 0.40 0.00 99.60 0.04 0.02 0.27 99.64 0.05 0.00 0.00 0.00 21 L H H 20.61 16.32 17.04 33.98 91.66 49.53 -64.66 -41.92 0.62 0.00 99.38 0.08 0.03 0.40 99.44 0.06 0.00 0.00 0.00 22 K H H 80.01 12.37 19.25 31.47 91.38 52.22 -62.50 -41.28 0.35 0.00 99.65 0.04 0.02 0.19 99.72 0.04 0.00 0.00 0.00 23 G H H 37.08 2.16 22.48 23.12 91.41 50.44 -63.42 -41.31 0.37 0.00 99.63 0.04 0.02 0.22 99.69 0.04 0.00 0.00 0.00 24 E H H 73.70 7.10 20.43 28.32 91.89 49.71 -65.21 -40.96 0.26 0.00 99.74 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 25 L H H 23.18 17.19 15.51 33.00 91.65 50.78 -63.54 -41.88 0.16 0.00 99.84 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 26 L H H 84.75 3.61 21.16 24.71 91.43 50.56 -63.50 -41.21 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 27 E H H 108.24 2.13 21.70 22.50 91.71 49.84 -64.78 -40.51 0.20 0.00 99.80 0.01 0.00 0.14 99.82 0.03 0.00 0.00 0.00 28 Y H H 38.15 13.89 15.19 30.09 92.17 50.78 -64.40 -41.13 0.23 0.00 99.77 0.01 0.01 0.14 99.80 0.04 0.00 0.00 0.00 29 R H H 103.03 9.01 17.41 27.20 91.62 52.53 -62.84 -41.55 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 30 F H H 123.92 1.50 19.34 19.04 92.03 49.66 -64.58 -41.28 0.55 0.00 99.45 0.05 0.03 0.38 99.41 0.12 0.00 0.00 0.00 31 K H H 81.03 4.98 15.64 22.02 92.32 50.37 -65.58 -40.62 1.06 0.01 98.94 0.17 0.09 0.71 98.73 0.29 0.00 0.00 0.00 32 L H H 49.26 11.98 11.70 24.48 92.42 51.10 -65.14 -40.39 1.59 0.01 98.40 0.19 0.11 1.19 97.59 0.92 0.00 0.00 0.00 33 A H H 78.95 2.41 14.04 17.43 91.38 52.73 -66.14 -30.64 6.44 0.01 93.55 0.22 0.25 6.04 92.57 0.91 0.01 0.00 0.00 34 H C T 136.78 1.42 13.39 14.58 93.55 50.62 -86.80 -2.01 68.13 0.03 31.84 0.47 1.75 65.45 31.08 1.20 0.00 0.01 0.03 35 G C T 55.82 2.71 11.83 16.25 94.89 -111.15 77.31 11.35 99.49 0.01 0.50 1.69 4.35 93.60 0.23 0.11 0.00 0.00 0.01 36 E C C 124.32 2.57 13.53 17.18 96.73 126.35 -81.56 -18.55 98.79 0.16 1.05 51.76 43.07 3.93 0.31 0.73 0.00 0.06 0.15 37 L C C 48.27 14.25 8.21 22.06 116.50 46.98 -115.50 114.81 97.87 0.28 1.85 63.36 26.59 7.66 0.38 1.58 0.00 0.09 0.32 38 D C C 120.30 1.60 15.66 17.53 98.87 -166.01 -85.76 -12.76 98.96 0.10 0.94 73.37 22.00 3.58 0.26 0.66 0.00 0.03 0.10 39 K C C 102.88 4.88 13.29 19.86 108.95 80.71 -107.99 98.39 99.44 0.11 0.46 80.49 18.56 0.34 0.37 0.07 0.00 0.02 0.14 40 P H H 80.19 6.96 11.67 20.64 93.15 -169.70 -62.80 -31.99 22.23 0.05 77.72 4.61 2.41 14.09 70.06 8.77 0.01 0.02 0.03 41 H H H 136.22 1.43 17.26 17.83 91.89 59.06 -65.39 -35.09 12.47 0.03 87.50 1.87 1.06 8.57 80.19 8.27 0.01 0.01 0.02 42 L H H 58.39 7.96 16.17 25.58 92.38 51.77 -66.22 -39.77 3.98 0.02 96.00 1.26 0.47 1.99 89.17 7.09 0.00 0.01 0.01 43 I H H 25.38 16.36 13.67 30.49 91.89 51.71 -63.38 -42.51 1.50 0.01 98.50 0.51 0.18 0.74 97.20 1.37 0.00 0.00 0.00 44 N H H 81.93 3.40 21.23 24.29 91.38 50.80 -63.61 -41.16 1.09 0.00 98.91 0.33 0.10 0.57 98.39 0.61 0.00 0.00 0.00 45 Q H H 92.35 3.21 21.71 24.39 91.73 49.95 -64.86 -41.39 1.08 0.00 98.92 0.25 0.10 0.63 98.61 0.40 0.00 0.00 0.00 46 T H H 17.58 16.66 16.24 33.40 91.85 50.25 -64.46 -41.88 1.09 0.00 98.91 0.29 0.11 0.58 98.77 0.25 0.00 0.00 0.00 47 R H H 108.47 9.43 20.11 29.87 91.53 51.55 -62.98 -41.12 0.56 0.00 99.44 0.14 0.04 0.28 99.46 0.08 0.00 0.00 0.00 48 R H H 141.10 1.91 23.30 23.73 91.87 49.68 -64.70 -41.37 0.18 0.00 99.82 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 49 L H H 51.49 10.56 20.37 31.51 91.87 49.60 -65.05 -41.38 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 50 L H H 26.36 17.14 18.03 35.20 91.62 50.23 -63.32 -42.35 0.08 0.00 99.92 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 51 A H H 50.70 4.13 22.72 26.71 91.24 50.78 -63.02 -41.65 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 52 T H H 64.52 4.55 23.25 27.70 91.70 49.64 -64.38 -41.96 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 53 I H H 20.52 17.82 18.02 36.21 91.53 49.90 -64.17 -42.54 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 54 L H H 65.98 10.46 21.05 31.68 91.47 50.84 -63.00 -40.80 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 55 T H H 70.53 2.64 23.32 24.64 91.36 49.80 -63.93 -41.96 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 56 I H H 46.09 9.25 20.24 30.50 91.99 49.06 -64.51 -42.82 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 57 L H H 26.21 15.14 17.10 32.97 91.74 49.88 -64.04 -42.15 0.21 0.00 99.79 0.04 0.01 0.11 99.82 0.03 0.00 0.00 0.00 58 T H H 66.41 4.09 20.69 24.88 91.74 49.61 -64.04 -41.41 0.43 0.00 99.57 0.08 0.02 0.23 99.62 0.05 0.00 0.00 0.00 59 E H H 100.45 2.78 20.41 22.55 92.01 49.85 -64.76 -41.08 0.61 0.00 99.39 0.10 0.04 0.35 99.41 0.09 0.00 0.00 0.00 60 R H H 91.42 8.35 17.28 26.49 92.25 49.70 -65.57 -40.62 1.33 0.00 98.67 0.27 0.10 0.78 98.67 0.18 0.00 0.00 0.00 61 K H H 95.50 6.54 17.28 24.68 92.09 50.95 -64.15 -40.77 2.39 0.00 97.60 0.52 0.20 1.39 97.59 0.29 0.00 0.00 0.00 62 L H H 89.24 2.13 18.09 19.53 91.81 49.99 -64.89 -40.88 3.71 0.01 96.28 0.95 0.36 1.95 96.30 0.42 0.00 0.00 0.00 63 N H H 80.53 2.88 17.45 20.37 92.29 49.90 -65.33 -40.68 4.92 0.01 95.07 1.37 0.45 2.56 95.14 0.48 0.00 0.00 0.00 64 W H H 104.85 5.96 14.84 22.21 92.29 50.19 -64.97 -41.38 2.57 0.01 97.42 0.79 0.28 1.18 97.37 0.37 0.00 0.00 0.00 65 Q H H 103.17 2.49 16.74 19.35 91.97 50.40 -64.63 -40.82 1.68 0.00 98.32 0.52 0.17 0.74 98.29 0.27 0.00 0.00 0.00 66 E H H 113.27 1.72 16.77 17.76 92.33 49.53 -65.32 -40.84 1.41 0.00 98.59 0.35 0.13 0.69 98.59 0.23 0.00 0.00 0.00 67 E H H 100.25 2.85 16.07 19.24 92.37 49.18 -65.67 -40.58 1.56 0.00 98.43 0.34 0.14 0.81 98.48 0.23 0.00 0.00 0.00 68 Q H H 91.37 3.06 15.81 19.44 92.03 50.15 -65.21 -40.35 1.69 0.00 98.30 0.35 0.14 0.89 98.39 0.23 0.00 0.00 0.00 69 A H H 52.48 2.53 15.53 18.57 91.93 50.93 -64.12 -41.08 1.47 0.00 98.53 0.33 0.12 0.73 98.57 0.24 0.00 0.00 0.00 70 K H H 116.73 2.22 16.56 18.64 92.25 50.25 -65.31 -40.53 1.55 0.00 98.44 0.36 0.13 0.81 98.45 0.25 0.00 0.00 0.00 71 Y H H 119.17 3.23 15.64 19.41 92.26 49.60 -65.33 -41.24 1.31 0.00 98.68 0.30 0.13 0.68 98.69 0.21 0.00 0.00 0.00 72 K H H 119.13 1.96 16.82 18.38 91.80 50.43 -64.60 -40.89 1.38 0.00 98.62 0.43 0.14 0.61 98.61 0.20 0.00 0.00 0.00 73 L H H 87.72 2.26 16.37 18.56 91.88 49.91 -64.60 -41.38 1.31 0.00 98.68 0.41 0.13 0.58 98.68 0.21 0.00 0.00 0.00 74 L H H 80.43 3.11 15.62 19.43 91.80 49.68 -64.49 -41.29 1.25 0.00 98.75 0.38 0.13 0.56 98.70 0.22 0.00 0.00 0.00 75 T H H 72.24 2.76 15.93 19.02 91.95 50.25 -64.76 -40.80 2.13 0.01 97.86 0.70 0.22 0.98 97.82 0.28 0.00 0.00 0.00 76 K H H 120.40 1.77 16.57 17.74 92.01 49.84 -64.96 -40.78 2.77 0.01 97.22 0.84 0.35 1.29 97.21 0.30 0.00 0.00 0.00 77 K H H 118.98 1.97 16.38 18.02 92.50 49.77 -65.45 -41.05 3.64 0.02 96.34 1.39 0.53 1.46 96.30 0.30 0.00 0.01 0.01 78 T H H 73.56 2.96 15.61 18.92 92.12 48.79 -65.36 -40.99 4.17 0.02 95.80 1.75 0.59 1.56 95.78 0.30 0.00 0.01 0.01 79 N H H 91.09 2.32 16.13 18.51 92.24 50.02 -64.89 -40.97 4.02 0.02 95.96 1.79 0.53 1.44 95.93 0.30 0.00 0.01 0.00 80 E H H 113.74 1.82 17.04 18.18 92.25 49.79 -65.06 -41.41 1.96 0.01 98.03 0.69 0.25 0.80 98.02 0.23 0.00 0.00 0.00 81 A H H 55.74 2.56 16.49 19.20 91.99 49.70 -64.56 -41.32 1.57 0.01 98.42 0.45 0.18 0.73 98.42 0.22 0.00 0.00 0.00 82 A H H 51.87 3.47 15.85 20.13 91.91 49.96 -64.65 -41.08 1.77 0.00 98.22 0.48 0.18 0.86 98.25 0.23 0.00 0.00 0.00 83 V H H 75.54 2.75 16.31 19.35 92.04 49.82 -64.43 -41.79 1.56 0.00 98.43 0.42 0.16 0.73 98.49 0.20 0.00 0.00 0.00 84 N H H 91.92 1.75 17.38 18.23 91.81 49.74 -64.76 -40.81 1.88 0.00 98.12 0.44 0.15 0.97 98.19 0.25 0.00 0.00 0.00 85 A H H 53.83 2.77 16.04 19.16 91.71 50.69 -63.92 -40.91 2.44 0.00 97.56 0.50 0.18 1.40 97.60 0.32 0.00 0.00 0.00 86 W H H 131.52 3.35 15.53 19.57 91.94 50.03 -64.73 -41.37 1.69 0.00 98.31 0.48 0.15 0.83 98.28 0.26 0.00 0.00 0.00 87 K H H 121.91 1.92 16.43 18.02 91.74 50.31 -64.10 -41.02 0.97 0.00 99.03 0.24 0.09 0.47 99.02 0.18 0.00 0.00 0.00 88 Q H H 104.93 1.76 16.64 17.61 91.90 49.78 -64.95 -41.05 1.05 0.00 98.95 0.21 0.09 0.56 98.94 0.20 0.00 0.00 0.00 89 H H H 108.41 2.75 16.02 18.79 91.96 49.86 -64.76 -40.98 1.08 0.00 98.92 0.23 0.09 0.56 98.92 0.20 0.00 0.00 0.00 90 L H H 86.32 2.81 15.93 19.13 91.80 49.73 -64.55 -41.49 0.98 0.00 99.02 0.21 0.09 0.50 99.03 0.17 0.00 0.00 0.00 91 E H H 107.96 1.86 17.38 18.50 91.90 49.79 -64.70 -41.24 1.27 0.00 98.73 0.24 0.11 0.70 98.74 0.20 0.00 0.00 0.00 92 A H H 53.12 2.88 16.02 19.18 91.77 50.04 -64.09 -41.19 1.63 0.00 98.37 0.30 0.15 0.91 98.43 0.21 0.00 0.00 0.00 93 N H H 82.25 2.91 16.39 19.67 91.87 49.97 -64.83 -40.92 1.51 0.00 98.49 0.33 0.14 0.78 98.56 0.19 0.00 0.00 0.00 94 K H H 116.54 2.18 17.05 19.00 91.99 50.16 -64.41 -40.81 1.10 0.00 98.90 0.21 0.10 0.58 98.92 0.18 0.00 0.00 0.00 95 A H H 54.42 2.64 16.04 18.93 91.66 50.84 -63.94 -41.40 0.97 0.00 99.03 0.19 0.09 0.49 99.04 0.18 0.00 0.00 0.00 96 K H H 116.66 2.25 16.82 18.82 91.90 49.89 -64.99 -40.82 0.99 0.00 99.01 0.20 0.09 0.52 99.00 0.19 0.00 0.00 0.00 97 L H H 88.69 2.64 16.04 18.90 91.96 49.66 -64.72 -41.51 0.98 0.00 99.02 0.20 0.09 0.50 99.03 0.17 0.00 0.00 0.00 98 L H H 91.51 2.31 16.31 18.53 91.85 49.43 -64.52 -41.72 0.99 0.00 99.00 0.21 0.09 0.50 99.03 0.16 0.00 0.00 0.00 99 K H H 119.11 2.09 16.73 18.39 91.86 49.36 -64.83 -40.84 1.20 0.00 98.79 0.24 0.11 0.63 98.82 0.18 0.00 0.00 0.00 100 S H H 51.70 2.67 15.62 18.82 92.07 50.47 -64.03 -41.47 1.65 0.00 98.34 0.36 0.15 0.87 98.40 0.22 0.00 0.00 0.00 101 R H H 128.77 2.08 16.56 18.36 91.85 50.11 -64.84 -40.93 1.54 0.00 98.46 0.35 0.16 0.80 98.46 0.24 0.00 0.00 0.00 102 A H H 51.53 2.86 14.69 18.34 91.64 51.01 -63.64 -41.45 1.58 0.00 98.42 0.38 0.16 0.79 98.39 0.27 0.00 0.00 0.00 103 K H H 120.48 1.81 15.41 17.00 91.88 50.33 -64.63 -41.02 1.99 0.01 98.01 0.48 0.20 1.03 97.94 0.34 0.00 0.00 0.00 104 R H H 138.51 1.60 14.91 16.10 92.09 50.00 -65.08 -40.99 2.22 0.01 97.78 0.55 0.24 1.16 97.56 0.48 0.00 0.00 0.00 105 E H H 104.64 1.83 14.08 15.90 91.93 49.97 -65.14 -40.71 3.32 0.01 96.67 0.81 0.36 1.84 96.25 0.73 0.00 0.00 0.00 106 D H H 81.83 2.08 12.66 15.28 91.78 50.54 -65.44 -38.86 6.15 0.02 93.83 1.45 0.66 3.58 93.01 1.28 0.00 0.01 0.01 107 A H H 67.69 1.98 11.01 13.90 92.29 52.62 -66.70 -35.07 11.90 0.03 88.06 1.95 1.19 8.15 85.99 2.68 0.01 0.01 0.01 108 S H H 85.75 1.18 10.27 11.87 93.72 54.51 -72.35 -23.43 31.00 0.08 68.92 4.38 2.74 23.12 66.80 2.86 0.01 0.03 0.06 109 K C H 155.19 1.27 9.14 11.20 97.55 59.52 -80.58 -8.82 60.39 0.17 39.44 27.08 1.91 29.96 38.85 2.01 0.00 0.06 0.12 110 K C C 150.16 2.18 10.57 14.18 104.62 93.08 -78.94 83.75 99.97 0.01 0.02 99.85 0.06 0.07 0.01 0.00 0.00 0.00 0.00