# 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 N C C 87.44 4.43 11.90 17.68 105.74 -135.64 -91.26 88.12 99.74 0.12 0.13 99.62 0.13 0.08 0.09 0.01 0.00 0.04 0.04 1 V H H 101.45 2.14 10.00 13.31 94.03 114.99 -67.03 -34.42 13.31 0.06 86.63 8.05 0.76 4.21 86.04 0.89 0.00 0.02 0.03 2 L H H 113.01 1.23 10.50 11.97 92.79 54.93 -65.26 -38.84 5.28 0.03 94.70 1.34 0.60 3.13 93.69 1.22 0.00 0.01 0.01 3 Q H H 107.76 1.73 11.08 13.49 92.46 52.50 -66.03 -39.06 2.86 0.03 97.11 0.89 0.33 1.56 95.60 1.58 0.00 0.02 0.01 4 I H H 97.99 1.93 11.51 14.15 92.53 51.22 -65.03 -40.88 1.85 0.02 98.13 0.59 0.23 0.98 97.14 1.04 0.00 0.01 0.01 5 V H H 87.00 1.70 12.62 14.53 92.37 49.82 -65.02 -40.99 1.59 0.02 98.39 0.44 0.17 0.89 97.69 0.79 0.00 0.01 0.00 6 R H H 137.82 1.57 12.92 14.51 92.36 50.48 -65.25 -39.91 2.55 0.01 97.44 0.36 0.18 1.80 96.28 1.37 0.01 0.01 0.00 7 D H H 83.63 2.16 12.86 15.56 92.77 50.33 -66.08 -38.87 7.43 0.02 92.56 0.44 0.38 6.31 91.26 1.57 0.01 0.01 0.01 8 H H H 106.90 2.46 12.35 15.69 93.19 51.56 -66.68 -37.64 13.48 0.03 86.49 0.90 0.83 11.50 84.91 1.82 0.02 0.01 0.02 9 W H H 151.23 1.95 12.67 15.12 92.69 52.62 -65.24 -40.14 7.38 0.05 92.56 1.29 0.79 4.97 84.30 8.59 0.02 0.03 0.02 10 V H H 91.54 1.84 12.96 15.08 92.81 49.28 -66.53 -39.13 5.94 0.03 94.04 0.45 0.36 4.72 81.90 12.53 0.01 0.02 0.01 11 H H H 123.39 1.97 12.75 15.17 94.39 47.32 -73.43 -33.85 10.55 0.03 89.42 0.47 0.54 9.10 78.31 11.53 0.02 0.01 0.01 12 I H H 100.89 2.36 12.60 15.66 95.74 47.61 -74.06 -36.41 27.69 0.14 72.17 1.65 2.65 23.24 65.68 6.51 0.11 0.06 0.10 13 L H H 100.87 2.13 13.12 15.68 94.90 50.45 -70.54 -36.05 25.89 0.51 73.59 7.94 6.19 13.16 69.01 3.16 0.07 0.21 0.27 14 V H H 82.95 2.39 13.14 16.17 94.13 56.20 -66.03 -41.79 21.91 0.26 77.82 7.85 3.34 11.05 73.59 3.90 0.02 0.13 0.12 15 P H H 78.64 2.30 14.21 16.85 93.16 49.13 -65.72 -39.51 17.01 0.20 82.80 7.48 1.71 7.89 78.59 4.14 0.01 0.11 0.08 16 V H H 86.94 2.14 14.38 16.72 92.85 50.96 -65.60 -40.33 3.95 0.03 96.02 1.37 0.46 1.97 93.48 2.71 0.00 0.01 0.01 17 G H H 38.03 2.47 14.24 17.36 92.23 51.19 -64.40 -40.95 1.94 0.01 98.05 0.41 0.18 1.22 96.98 1.20 0.00 0.00 0.00 18 F H H 122.95 1.94 14.78 16.76 92.41 50.16 -65.41 -41.05 1.07 0.01 98.93 0.18 0.09 0.71 98.18 0.83 0.00 0.00 0.00 19 V H H 83.16 2.27 14.98 17.50 92.16 49.06 -64.95 -42.10 0.54 0.00 99.46 0.09 0.04 0.35 99.24 0.28 0.00 0.00 0.00 20 F H H 117.89 1.90 15.59 17.19 91.99 48.95 -64.77 -41.54 0.29 0.00 99.71 0.04 0.02 0.18 99.64 0.12 0.00 0.00 0.00 21 G H H 33.80 2.58 14.69 18.04 91.81 50.51 -63.01 -41.69 0.36 0.00 99.64 0.04 0.02 0.25 99.59 0.11 0.00 0.00 0.00 22 C H H 67.25 2.41 14.94 17.73 91.96 49.30 -64.55 -41.67 0.46 0.00 99.54 0.04 0.02 0.34 99.46 0.13 0.00 0.00 0.00 23 Y H H 125.88 2.04 15.29 17.28 92.01 49.92 -64.27 -41.82 0.78 0.00 99.22 0.08 0.05 0.57 99.09 0.20 0.00 0.00 0.00 24 L H H 93.27 1.80 15.26 16.75 91.83 49.43 -64.84 -41.01 1.42 0.00 98.58 0.20 0.10 1.00 98.30 0.39 0.00 0.00 0.00 25 D H H 81.21 2.11 15.06 17.24 91.85 50.53 -64.94 -40.32 3.82 0.01 96.18 0.50 0.28 2.78 95.94 0.50 0.00 0.00 0.00 26 R H H 134.41 1.98 15.25 17.13 92.06 49.70 -65.43 -40.03 6.36 0.01 93.62 1.00 0.56 4.46 93.26 0.70 0.00 0.00 0.01 27 R H H 129.53 2.00 15.49 17.41 91.97 51.03 -64.50 -40.65 5.82 0.02 94.16 1.62 0.72 3.23 93.58 0.82 0.00 0.01 0.01 28 S H H 58.40 2.40 14.97 17.73 91.98 50.31 -64.48 -40.35 6.20 0.03 93.77 2.06 0.69 3.11 93.30 0.81 0.00 0.01 0.01 29 D H H 80.71 2.29 15.11 17.58 92.11 50.16 -65.20 -40.45 4.06 0.02 95.92 1.34 0.50 1.95 95.52 0.68 0.00 0.01 0.01 30 E H H 110.79 1.79 15.51 16.90 92.14 50.14 -65.05 -40.35 1.97 0.01 98.03 0.53 0.23 1.04 97.69 0.51 0.00 0.00 0.00 31 K H H 119.56 1.99 15.54 17.44 92.10 49.74 -64.78 -40.88 1.66 0.01 98.33 0.37 0.17 0.96 97.94 0.54 0.00 0.00 0.00 32 L H H 86.40 2.83 14.52 18.17 92.09 50.23 -64.96 -40.63 1.84 0.01 98.15 0.37 0.17 1.12 97.62 0.71 0.00 0.00 0.00 33 T H H 71.40 2.22 15.36 17.67 91.83 50.41 -64.49 -41.25 2.91 0.01 97.08 0.54 0.28 1.87 96.32 0.98 0.01 0.01 0.00 34 A H H 58.18 2.12 15.27 17.41 91.97 50.53 -64.63 -40.76 5.40 0.02 94.57 0.72 0.46 3.90 93.47 1.44 0.01 0.01 0.01 35 F H H 109.53 2.88 14.15 17.80 92.83 49.03 -66.23 -39.93 9.18 0.07 90.76 2.03 1.16 6.00 88.28 2.45 0.02 0.03 0.04 36 R H H 130.06 2.97 13.68 17.71 92.38 52.52 -64.80 -39.20 12.84 0.11 87.04 3.23 1.72 8.00 83.94 2.99 0.02 0.04 0.06 37 N H H 98.54 1.77 14.45 16.00 93.76 50.73 -69.51 -33.84 21.96 0.19 77.85 5.81 2.84 13.61 74.22 3.30 0.03 0.08 0.12 38 K H H 119.16 2.21 13.67 16.17 94.67 53.12 -71.28 -33.88 24.60 0.33 75.07 6.91 4.75 13.84 69.38 4.71 0.09 0.14 0.19 39 S H H 44.49 5.38 10.40 17.84 95.39 56.88 -70.90 -35.27 27.40 0.61 72.00 11.03 4.86 13.04 63.64 6.74 0.07 0.29 0.33 40 L H H 108.50 2.25 11.32 14.60 93.27 58.35 -67.86 -35.43 25.41 0.39 74.20 5.15 3.50 15.96 57.31 17.55 0.12 0.21 0.21 41 L H H 127.75 1.15 11.14 12.35 94.45 50.63 -71.62 -33.00 30.74 0.46 68.80 3.90 4.00 21.72 53.13 16.56 0.19 0.23 0.26 42 F C H 139.97 2.13 9.87 13.04 98.84 40.35 -92.98 1.71 51.22 0.97 47.81 7.29 9.90 33.74 34.78 13.02 0.18 0.43 0.66 43 K C T 167.08 1.33 10.59 12.87 96.98 -125.19 54.01 36.22 90.54 0.99 8.47 38.43 11.27 41.58 4.85 2.87 0.00 0.53 0.47 44 R C C 133.97 3.45 8.92 14.53 121.12 145.93 -99.52 148.45 96.18 2.67 1.14 81.56 12.18 2.44 0.42 0.69 0.00 1.52 1.21 45 E C C 153.37 1.24 12.85 14.50 114.41 -108.22 -78.88 134.98 93.43 6.12 0.46 90.53 2.49 0.63 0.17 0.22 0.00 3.38 2.57 46 L C C 80.55 10.09 6.75 17.27 116.79 -122.23 -80.62 141.48 91.75 8.14 0.11 89.19 2.52 0.13 0.05 0.04 0.00 2.70 5.37 47 R C C 145.75 2.17 10.86 14.24 116.94 -114.81 -74.16 148.57 99.78 0.19 0.03 98.97 0.81 0.06 0.01 0.01 0.00 0.06 0.09 48 P C T 117.55 1.51 9.24 11.99 101.29 -101.02 -60.66 133.55 98.65 0.10 1.25 1.74 3.89 92.93 0.07 1.28 0.00 0.05 0.05 49 N C T 144.11 0.44 10.62 9.89 95.77 23.21 54.18 5.96 98.21 0.08 1.70 1.96 4.01 92.06 0.10 1.79 0.00 0.05 0.03 50 E C C 95.40 5.71 6.88 14.61 116.64 133.20 -81.84 142.30 93.78 0.95 5.27 67.02 23.91 2.76 1.18 3.98 0.00 0.35 0.79 51 E C C 153.20 1.11 12.02 13.48 115.21 -120.08 -81.57 138.81 95.70 1.32 2.99 87.25 6.41 2.10 1.15 1.66 0.00 0.60 0.84 52 V C C 89.82 7.39 7.46 16.17 113.56 -119.78 -81.91 134.12 94.72 1.97 3.31 85.04 5.88 3.88 0.90 2.28 0.00 1.04 0.99 53 T C C 98.32 2.68 9.66 13.82 104.86 -163.31 -92.77 2.22 94.48 2.45 3.07 74.41 12.50 7.22 0.85 2.26 0.00 1.22 1.53 54 W C C 167.97 3.84 7.29 12.97 110.52 79.91 -93.73 115.87 96.84 1.82 1.35 88.91 4.02 3.91 0.45 0.71 0.00 0.76 1.23 55 K C C 162.42 1.36 11.84 13.82 109.12 -120.46 -80.20 126.97 99.96 0.04 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01