# 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 110.00 6.34 11.55 19.37 119.27 -164.30 -100.20 135.66 99.92 0.07 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 S C C 81.75 3.08 9.83 14.58 114.02 -143.17 -91.56 130.66 94.37 3.79 1.85 91.01 1.13 2.66 0.82 0.63 0.00 1.67 2.07 2 L C C 112.74 4.04 8.24 14.11 113.11 -147.28 -94.52 124.32 87.35 3.28 9.37 62.23 15.52 9.69 3.89 5.24 0.00 1.67 1.75 3 P C C 91.68 3.71 9.84 15.16 107.98 -125.86 -77.32 137.90 77.63 2.13 20.24 47.79 12.44 17.31 6.13 14.19 0.00 1.14 1.00 4 T C C 89.31 4.18 9.91 15.67 106.95 -128.03 -85.90 77.94 67.09 2.08 30.83 38.99 11.10 16.94 8.83 22.03 0.01 1.05 1.06 5 F C C 133.38 5.15 9.62 16.26 103.16 57.07 -84.42 10.78 61.21 3.15 35.65 31.52 12.29 18.24 10.15 24.70 0.02 1.61 1.46 6 F C C 141.79 3.86 10.06 15.56 104.92 78.38 -87.83 23.34 66.18 4.33 29.49 33.98 15.14 17.83 10.16 18.53 0.04 2.21 2.11 7 L C C 121.20 3.01 10.24 14.78 106.83 80.29 -92.35 45.82 77.37 3.39 19.25 43.38 21.02 13.55 7.41 11.07 0.01 1.50 2.06 8 A C C 66.86 5.23 8.97 16.10 118.78 102.47 -88.79 143.22 98.68 0.91 0.41 57.82 40.40 0.60 0.20 0.15 0.00 0.30 0.54 9 P C C 90.83 3.32 11.41 16.37 115.33 -102.97 -67.55 150.25 99.01 0.33 0.67 89.14 8.49 1.47 0.25 0.32 0.00 0.14 0.20 10 P C C 97.70 4.27 10.52 16.73 112.04 -100.76 -67.25 145.64 96.61 0.73 2.66 85.77 6.90 4.03 0.88 1.56 0.00 0.32 0.55 11 L C C 107.67 5.54 9.21 16.44 111.58 -117.57 -84.28 131.56 95.55 1.05 3.40 78.30 12.57 4.61 1.19 2.08 0.00 0.46 0.79 12 T C C 103.79 2.88 11.11 15.45 105.20 -147.63 -89.21 19.60 94.78 1.16 4.06 70.35 20.03 4.42 1.66 2.14 0.00 0.47 0.92 13 E C C 132.71 2.81 12.93 17.05 118.35 47.78 -101.26 139.43 95.38 0.83 3.79 63.93 29.05 2.56 2.12 1.38 0.00 0.29 0.66 14 P C C 77.59 7.95 12.70 21.84 113.78 -99.91 -69.54 146.14 90.59 0.62 8.79 72.25 12.18 6.54 4.67 3.68 0.00 0.27 0.40 15 F C C 63.11 15.10 10.15 24.92 113.87 -107.45 -77.85 138.54 90.86 0.90 8.24 79.24 7.98 4.08 4.97 2.73 0.00 0.35 0.64 16 R C C 121.56 3.36 17.30 20.81 119.26 -136.86 -86.82 158.86 91.70 1.56 6.74 83.08 6.94 1.36 6.03 0.86 0.00 0.41 1.33 17 A H H 65.92 6.26 12.52 20.40 92.52 -111.52 -59.55 -38.74 3.11 0.01 96.88 0.98 0.67 1.17 96.83 0.33 0.00 0.00 0.00 18 R H H 158.58 1.30 16.90 17.22 92.10 52.67 -64.24 -40.49 1.18 0.00 98.82 0.23 0.13 0.64 98.73 0.28 0.00 0.00 0.00 19 H H H 77.54 7.59 15.62 24.47 92.17 49.18 -65.83 -40.09 0.52 0.00 99.48 0.12 0.05 0.26 99.32 0.25 0.00 0.00 0.00 20 R H H 61.23 14.69 14.16 28.93 91.92 51.22 -63.71 -41.53 0.27 0.00 99.73 0.05 0.02 0.14 99.69 0.10 0.00 0.00 0.00 21 R H H 126.43 3.58 20.53 24.08 91.74 50.36 -64.26 -41.06 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 22 K H H 102.74 3.58 21.83 25.01 91.70 50.02 -64.57 -42.02 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 23 C H H 14.33 16.17 16.92 33.80 91.97 50.24 -64.03 -42.77 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 24 I H H 53.05 10.88 20.41 31.83 91.62 49.77 -63.69 -41.82 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 25 E H H 106.61 2.78 24.54 26.30 91.68 50.05 -64.19 -41.62 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 26 K H H 54.28 11.08 20.87 32.52 92.08 50.20 -64.86 -41.67 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 27 K H H 40.08 17.16 19.57 36.17 91.74 50.68 -63.73 -41.75 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 28 D H H 58.05 6.44 23.14 29.87 91.36 50.66 -63.92 -41.41 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 T H H 56.41 5.63 23.63 29.51 91.56 50.28 -64.17 -41.76 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 F H H 24.71 17.55 18.99 36.64 91.85 50.70 -63.64 -43.01 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 F H H 55.04 11.59 20.91 33.06 91.44 49.95 -64.00 -41.63 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 32 Q H H 90.48 3.05 23.64 25.79 91.48 51.15 -63.73 -41.92 0.34 0.00 99.66 0.02 0.01 0.28 99.58 0.10 0.00 0.00 0.00 33 C H H 17.40 10.79 17.10 30.10 91.68 50.42 -63.81 -41.94 1.05 0.00 98.95 0.05 0.05 0.89 98.74 0.27 0.00 0.00 0.00 34 L H H 30.71 15.46 14.88 30.74 92.10 50.30 -65.71 -39.26 3.26 0.01 96.74 0.24 0.27 2.66 96.21 0.60 0.01 0.00 0.00 35 D H H 90.44 3.49 17.70 21.56 94.12 47.21 -71.77 -36.09 11.99 0.03 87.98 1.02 1.11 9.69 87.27 0.86 0.02 0.01 0.02 36 K H H 137.85 1.82 16.76 17.98 97.17 39.85 -83.91 -28.39 34.45 0.18 65.38 4.28 7.36 22.64 64.13 1.36 0.04 0.05 0.14 37 N C C 65.48 8.31 10.65 20.45 103.09 34.11 -108.10 22.27 83.29 0.39 16.32 50.05 8.76 23.93 14.33 2.41 0.00 0.14 0.38 38 K C T 132.76 5.47 12.40 19.88 98.21 -156.89 22.56 -0.12 90.56 0.23 9.21 14.74 14.02 62.14 3.65 5.15 0.00 0.11 0.19 39 N C T 130.99 1.46 14.51 16.00 96.78 32.13 -85.99 5.25 91.33 0.20 8.47 12.19 18.67 61.05 2.62 5.20 0.00 0.09 0.18 40 E C C 97.11 5.35 12.86 19.88 108.05 101.57 -99.31 98.42 90.53 0.40 9.08 63.70 18.46 8.42 4.45 4.40 0.00 0.13 0.45 41 T C H 73.18 8.54 12.08 21.95 96.17 170.74 -68.47 -36.23 55.70 0.21 44.09 28.55 16.93 9.32 41.44 3.53 0.00 0.06 0.16 42 E H H 130.73 1.69 18.66 19.39 93.38 56.25 -65.71 -39.80 16.51 0.08 83.41 5.33 3.69 7.12 78.08 5.69 0.01 0.04 0.04 43 P H H 54.91 5.69 16.94 24.04 93.12 51.23 -66.13 -38.32 11.01 0.06 88.93 2.69 1.32 6.44 83.22 6.27 0.01 0.03 0.02 44 C H H 14.11 17.73 11.89 29.85 92.99 50.93 -68.14 -37.07 9.13 0.06 90.81 3.00 1.00 4.71 86.17 5.07 0.01 0.03 0.02 45 E H H 103.98 5.11 19.59 25.54 91.85 56.25 -62.73 -40.95 1.77 0.01 98.22 0.83 0.22 0.57 97.98 0.39 0.00 0.00 0.00 46 V H H 92.07 1.74 22.53 22.15 91.88 50.03 -64.81 -41.99 0.64 0.00 99.35 0.20 0.06 0.28 99.26 0.19 0.00 0.00 0.00 47 E H H 49.08 13.01 18.01 31.49 92.15 49.19 -65.20 -41.50 0.56 0.00 99.44 0.13 0.04 0.27 99.39 0.16 0.00 0.00 0.00 48 A H H 24.72 15.88 16.80 32.71 91.78 51.16 -63.21 -41.17 0.62 0.00 99.38 0.11 0.04 0.33 99.42 0.10 0.00 0.00 0.00 49 S H H 61.50 2.45 22.94 24.09 91.78 51.07 -64.28 -40.90 0.66 0.00 99.34 0.09 0.04 0.37 99.42 0.08 0.00 0.00 0.00 50 G H H 26.87 4.87 20.14 25.86 91.80 50.78 -64.25 -41.30 0.83 0.00 99.17 0.10 0.05 0.50 99.22 0.12 0.00 0.00 0.00 51 Y H H 24.17 18.15 13.84 32.24 92.27 50.49 -65.47 -40.95 0.72 0.00 99.28 0.11 0.06 0.43 99.15 0.25 0.00 0.00 0.00 52 S H H 50.18 9.99 15.99 26.71 91.83 54.11 -65.71 -33.02 1.52 0.00 98.47 0.15 0.10 1.09 98.06 0.60 0.00 0.00 0.00 53 Q H H 143.76 0.85 19.37 17.89 93.28 50.55 -72.12 -31.18 7.08 0.00 92.92 0.16 0.26 6.68 92.25 0.65 0.00 0.00 0.00 54 E H H 102.24 6.38 16.38 23.59 100.91 35.23 -95.10 -23.22 19.30 0.02 80.68 0.31 1.37 17.35 80.43 0.50 0.02 0.00 0.01 55 C C S 26.41 17.01 10.29 26.70 120.31 30.21 -127.62 118.52 98.48 0.29 1.24 15.90 80.69 1.63 1.33 0.10 0.00 0.06 0.28 56 P C C 64.35 4.58 16.21 22.03 113.49 -118.83 -66.21 146.69 88.32 0.20 11.48 86.08 0.83 1.70 10.58 0.63 0.00 0.06 0.12 57 D H H 104.43 3.37 14.36 19.27 93.16 -110.53 -59.88 -35.70 10.74 0.01 89.25 0.93 1.03 8.44 82.97 6.59 0.01 0.01 0.01 58 S H H 61.59 2.94 17.02 20.23 92.14 55.55 -65.27 -38.40 6.47 0.01 93.52 0.44 0.41 5.22 87.35 6.57 0.00 0.00 0.00 59 W H H 62.09 12.05 14.19 27.22 92.52 49.87 -66.74 -40.34 2.22 0.00 97.78 0.35 0.19 1.42 92.43 5.61 0.00 0.00 0.00 60 R H H 74.69 10.60 15.13 26.79 92.05 51.68 -63.89 -41.71 0.53 0.00 99.46 0.10 0.04 0.33 99.01 0.52 0.00 0.00 0.00 61 R H H 142.22 1.70 20.50 20.80 91.69 50.40 -64.22 -41.68 0.49 0.00 99.51 0.05 0.03 0.34 99.26 0.31 0.00 0.00 0.00 62 Y H H 94.02 5.42 18.63 24.96 91.88 49.30 -64.47 -42.39 0.62 0.00 99.38 0.07 0.04 0.45 99.17 0.28 0.00 0.00 0.00 63 F H H 33.22 14.12 15.16 30.30 92.08 49.83 -64.56 -42.14 0.55 0.00 99.45 0.08 0.04 0.34 99.39 0.15 0.00 0.00 0.00 64 N H H 72.23 5.00 19.09 24.89 91.59 50.58 -64.04 -40.91 0.54 0.00 99.46 0.08 0.03 0.32 99.48 0.09 0.00 0.00 0.00 65 E H H 99.78 2.35 19.77 21.32 91.82 50.28 -64.59 -41.43 0.53 0.00 99.47 0.06 0.03 0.34 99.48 0.09 0.00 0.00 0.00 66 Q H H 65.61 7.93 17.22 26.44 92.09 49.90 -65.39 -40.70 0.58 0.00 99.42 0.08 0.04 0.35 99.41 0.12 0.00 0.00 0.00 67 R H H 90.22 9.18 16.51 26.69 92.04 51.06 -64.16 -41.36 0.67 0.00 99.32 0.10 0.04 0.40 99.32 0.13 0.00 0.00 0.00 68 W H H 140.38 2.28 19.01 20.64 91.89 49.84 -64.26 -41.73 0.58 0.00 99.42 0.09 0.03 0.35 99.40 0.13 0.00 0.00 0.00 69 K H H 107.70 2.55 18.74 20.94 91.86 49.54 -64.93 -40.94 0.49 0.00 99.51 0.08 0.03 0.28 99.49 0.13 0.00 0.00 0.00 70 A H H 32.19 7.61 15.01 24.61 91.84 51.47 -64.06 -41.28 0.71 0.00 99.29 0.10 0.04 0.43 99.27 0.16 0.00 0.00 0.00 71 L H H 79.94 4.07 17.23 22.12 92.06 50.35 -64.53 -40.93 0.96 0.00 99.04 0.15 0.06 0.58 99.01 0.21 0.00 0.00 0.00 72 E H H 113.19 1.78 18.14 18.98 92.05 50.13 -64.83 -41.11 1.39 0.00 98.61 0.28 0.09 0.76 98.67 0.20 0.00 0.00 0.00 73 L H H 78.82 4.12 16.24 21.25 92.27 49.48 -65.38 -40.54 2.02 0.00 97.97 0.47 0.15 1.11 98.01 0.25 0.00 0.00 0.00 74 K H H 105.09 4.41 16.18 21.38 91.92 50.86 -64.27 -40.61 1.14 0.00 98.86 0.30 0.10 0.55 98.87 0.18 0.00 0.00 0.00 75 G H H 34.16 2.53 16.51 19.31 91.80 50.46 -63.49 -41.22 1.34 0.00 98.65 0.32 0.09 0.70 98.67 0.21 0.00 0.00 0.00 76 E H H 104.42 2.47 16.54 19.04 92.17 50.19 -65.27 -41.08 1.04 0.00 98.96 0.26 0.09 0.51 98.96 0.18 0.00 0.00 0.00 77 V H H 69.43 4.17 14.66 20.04 92.41 49.88 -64.91 -41.27 1.07 0.00 98.93 0.32 0.10 0.49 98.90 0.19 0.00 0.00 0.00 78 K H H 117.78 1.96 16.35 17.98 91.89 50.56 -63.80 -41.16 1.29 0.00 98.70 0.34 0.11 0.64 98.68 0.23 0.00 0.00 0.00 79 H H H 113.13 1.84 15.76 17.24 92.23 49.73 -65.58 -39.91 1.82 0.01 98.18 0.37 0.15 1.03 98.09 0.34 0.00 0.00 0.00 80 A H H 50.30 3.39 13.91 18.66 91.93 51.46 -64.32 -39.84 2.74 0.01 97.25 0.56 0.25 1.62 97.04 0.53 0.00 0.00 0.00 81 N H H 92.72 2.25 14.67 17.25 92.19 51.41 -65.70 -38.92 6.57 0.02 93.41 1.37 0.65 4.13 92.96 0.87 0.00 0.01 0.01 82 L H H 94.27 2.08 13.58 16.02 92.82 51.68 -65.83 -39.39 10.90 0.06 89.04 3.72 1.52 5.44 87.81 1.46 0.00 0.03 0.03 83 K H H 123.31 1.91 13.10 15.37 93.01 52.40 -66.43 -38.08 13.89 0.12 85.99 6.39 2.06 5.50 83.95 1.99 0.01 0.05 0.05 84 N H H 92.33 2.36 11.48 14.85 94.42 51.70 -68.65 -34.36 20.28 0.21 79.51 10.53 2.84 7.30 75.98 3.15 0.01 0.10 0.10 85 T H H 86.04 2.17 10.16 13.45 95.24 56.08 -70.87 -31.51 23.47 0.33 76.20 11.78 3.64 8.82 70.80 4.65 0.01 0.16 0.15 86 Q H H 129.50 1.59 9.31 11.86 97.11 58.18 -73.78 -23.51 32.23 0.55 67.22 15.24 5.19 13.00 60.44 5.57 0.03 0.26 0.28 87 Q C H 134.02 1.58 8.24 11.01 99.43 67.06 -78.91 -8.76 53.06 0.83 46.11 24.85 7.65 21.24 40.04 5.38 0.02 0.37 0.45 88 H C C 151.13 1.38 7.61 10.21 104.14 73.32 -86.11 30.60 77.06 0.57 22.37 56.96 1.50 18.19 20.34 2.41 0.00 0.27 0.33 89 F C C 145.82 3.16 9.17 14.14 109.43 87.44 -88.52 103.33 99.96 0.02 0.02 99.89 0.05 0.04 0.01 0.00 0.00 0.01 0.00