# 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 A C C 71.12 4.05 11.30 16.77 111.23 -124.32 -79.75 142.43 99.90 0.03 0.06 99.78 0.11 0.06 0.04 0.00 0.00 0.01 0.01 1 S C C 79.49 2.40 9.53 13.29 108.54 -135.65 -80.73 133.10 76.26 0.47 23.27 69.71 1.20 5.07 22.29 1.27 0.00 0.18 0.29 2 N H H 117.47 1.94 9.22 12.30 102.21 38.35 -78.66 -15.68 48.56 0.53 50.91 28.26 9.25 11.47 47.33 3.18 0.01 0.20 0.30 3 N H H 110.41 2.02 10.03 13.03 98.07 68.21 -72.80 -31.02 32.22 0.38 67.39 16.78 7.09 9.77 62.45 3.55 0.01 0.15 0.19 4 T H H 91.29 1.84 11.36 13.83 94.88 59.62 -68.12 -36.56 17.71 0.22 82.07 9.02 3.67 5.96 78.15 3.00 0.01 0.09 0.09 5 A H H 64.28 2.05 12.23 14.89 93.60 52.93 -66.53 -38.33 14.15 0.17 85.68 7.45 2.59 4.66 83.12 2.04 0.01 0.08 0.07 6 S H H 63.25 2.16 13.03 15.66 93.26 52.45 -66.49 -40.34 10.14 0.12 89.74 5.71 1.76 3.13 88.12 1.18 0.00 0.05 0.05 7 I H H 97.15 2.01 13.63 15.87 92.75 50.06 -65.18 -41.51 3.22 0.03 96.75 1.42 0.51 1.25 96.32 0.49 0.00 0.01 0.01 8 A H H 57.08 2.00 14.16 16.41 91.83 50.96 -63.75 -41.55 1.89 0.01 98.09 0.75 0.23 0.81 97.86 0.35 0.00 0.00 0.00 9 Q H H 104.89 1.72 14.88 16.31 92.16 49.61 -65.23 -40.80 1.60 0.01 98.39 0.57 0.19 0.74 98.22 0.28 0.00 0.00 0.00 10 A H H 58.33 2.23 14.09 16.78 91.82 50.65 -63.92 -41.18 1.20 0.00 98.79 0.40 0.11 0.56 98.74 0.18 0.00 0.00 0.00 11 R H H 141.82 1.67 14.82 16.32 91.71 50.43 -64.74 -40.20 0.78 0.00 99.22 0.22 0.07 0.38 99.22 0.11 0.00 0.00 0.00 12 K H H 122.76 1.58 15.17 16.28 92.00 50.34 -65.01 -40.82 0.61 0.00 99.38 0.15 0.05 0.32 99.40 0.08 0.00 0.00 0.00 13 L H H 92.64 1.74 15.05 16.44 91.87 49.97 -64.49 -41.62 0.50 0.00 99.50 0.11 0.04 0.27 99.51 0.07 0.00 0.00 0.00 14 V H H 81.43 1.96 14.76 16.69 91.69 49.45 -64.29 -41.87 0.38 0.00 99.62 0.08 0.03 0.19 99.64 0.05 0.00 0.00 0.00 15 E H H 104.75 1.80 15.05 16.60 91.52 50.21 -64.06 -41.15 0.38 0.00 99.62 0.07 0.02 0.21 99.64 0.05 0.00 0.00 0.00 16 Q H H 104.51 1.55 15.03 16.03 91.77 50.25 -64.64 -40.97 0.51 0.00 99.49 0.08 0.03 0.30 99.51 0.08 0.00 0.00 0.00 17 L H H 96.63 1.72 14.52 16.06 91.75 50.24 -64.51 -40.69 0.58 0.00 99.42 0.10 0.04 0.34 99.40 0.12 0.00 0.00 0.00 18 K H H 125.74 1.67 14.71 16.24 91.67 50.44 -64.16 -40.74 0.83 0.00 99.17 0.14 0.06 0.50 99.10 0.19 0.00 0.00 0.00 19 M H H 107.11 1.52 15.27 16.12 91.90 49.71 -64.65 -41.18 1.51 0.00 98.48 0.24 0.12 0.97 98.28 0.39 0.00 0.00 0.00 20 E H H 110.31 1.58 15.31 16.30 91.74 50.07 -64.73 -40.28 3.36 0.01 96.63 0.47 0.28 2.28 96.30 0.66 0.00 0.00 0.00 21 A H H 53.86 2.59 13.80 17.27 91.80 50.76 -64.60 -40.22 11.31 0.03 88.66 1.38 0.99 8.38 88.06 1.15 0.01 0.01 0.02 22 N H H 91.40 1.88 15.02 16.70 92.57 51.37 -65.52 -39.18 24.68 0.06 75.25 4.09 1.94 17.75 74.68 1.46 0.01 0.02 0.04 23 I H H 97.74 1.70 14.95 16.24 92.46 51.52 -65.03 -41.49 12.11 0.07 87.82 3.90 2.12 6.04 86.40 1.48 0.01 0.02 0.04 24 D H H 86.61 1.94 14.62 16.57 92.26 50.00 -65.58 -40.60 8.66 0.06 91.28 3.64 1.17 3.73 90.14 1.25 0.00 0.02 0.03 25 R H H 141.24 1.78 14.46 16.21 92.14 50.75 -65.22 -40.20 5.39 0.04 94.57 1.86 0.71 2.71 93.56 1.13 0.00 0.01 0.02 26 I H H 98.66 1.67 15.05 16.25 92.00 49.60 -64.97 -41.34 3.42 0.03 96.54 1.30 0.48 1.55 96.00 0.64 0.00 0.01 0.01 27 K H H 119.87 1.79 15.38 16.91 92.14 50.01 -64.88 -41.01 2.54 0.02 97.43 1.07 0.32 1.12 97.04 0.43 0.00 0.01 0.01 28 V H H 82.69 2.31 14.81 17.41 91.94 49.65 -64.33 -41.61 1.38 0.01 98.61 0.48 0.16 0.65 98.45 0.26 0.00 0.00 0.00 29 S H H 62.32 1.97 15.76 17.49 91.74 50.43 -64.56 -40.91 1.13 0.01 98.86 0.34 0.10 0.56 98.81 0.19 0.00 0.00 0.00 30 K H H 124.92 1.54 16.66 17.30 92.14 49.84 -65.09 -40.86 0.84 0.00 99.15 0.18 0.08 0.49 99.11 0.14 0.00 0.00 0.00 31 A H H 54.35 2.45 15.39 18.20 91.89 50.25 -64.14 -41.65 0.82 0.00 99.18 0.18 0.06 0.46 99.18 0.12 0.00 0.00 0.00 32 A H H 55.45 2.61 15.22 18.42 91.83 50.50 -63.65 -41.05 0.48 0.00 99.52 0.08 0.03 0.26 99.56 0.07 0.00 0.00 0.00 33 A H H 59.80 2.00 15.96 17.70 91.74 50.81 -63.78 -41.02 0.28 0.00 99.72 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 34 D H H 90.47 1.51 16.24 16.85 92.00 49.76 -64.86 -40.62 0.34 0.00 99.66 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 35 L H H 92.64 2.39 14.86 17.64 91.85 50.48 -64.51 -41.69 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 36 M H H 102.82 2.51 14.89 17.92 91.68 50.35 -64.30 -41.06 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 37 A H H 62.09 1.55 15.87 16.56 91.67 50.38 -63.80 -41.18 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 38 Y H H 130.29 1.68 15.48 16.65 92.03 49.42 -64.46 -41.35 0.44 0.00 99.56 0.03 0.02 0.31 99.54 0.10 0.00 0.00 0.00 39 C H H 58.53 4.38 12.47 18.55 92.25 50.20 -64.97 -40.58 0.59 0.00 99.41 0.05 0.03 0.40 99.36 0.16 0.00 0.00 0.00 40 E H H 120.22 1.96 14.53 16.76 91.71 50.99 -64.76 -39.41 1.27 0.00 98.73 0.08 0.06 0.98 98.43 0.46 0.00 0.00 0.00 41 A H H 71.30 1.23 15.24 15.24 92.18 50.91 -66.66 -36.72 6.38 0.00 93.62 0.12 0.20 6.19 92.64 0.85 0.00 0.00 0.00 42 H H H 106.84 3.15 13.02 17.21 97.15 41.41 -91.28 -10.01 21.88 0.02 78.10 0.71 0.91 20.43 76.12 1.80 0.01 0.00 0.01 43 A H G 43.19 8.44 8.98 19.13 92.56 82.82 -62.25 -34.83 17.52 0.08 82.40 2.05 1.33 12.98 23.97 59.57 0.00 0.05 0.04 44 K H G 156.71 1.24 13.29 14.60 91.79 58.22 -69.80 -24.07 25.34 0.06 74.61 0.91 1.19 22.76 10.52 64.55 0.00 0.03 0.03 45 E H G 151.56 0.86 13.31 13.13 96.70 46.35 -94.10 -5.04 27.15 0.10 72.76 1.63 2.63 21.48 5.63 68.54 0.00 0.04 0.05 46 D C C 56.99 7.84 7.08 16.64 111.85 96.75 -88.44 117.15 99.63 0.25 0.12 73.89 25.48 0.20 0.05 0.04 0.00 0.05 0.28 47 P C T 106.29 1.88 10.67 13.93 92.34 -151.96 -64.36 -23.94 79.86 0.12 20.03 1.80 3.90 72.30 1.03 20.84 0.00 0.05 0.07 48 L C T 124.28 1.90 10.21 13.18 93.58 64.50 -76.46 -13.14 79.91 0.27 19.82 1.53 4.25 72.92 1.24 19.78 0.00 0.14 0.15 49 L C T 102.93 4.53 9.00 15.01 98.42 61.88 -83.32 -9.62 68.98 3.69 27.32 20.51 21.46 27.04 2.39 24.56 0.03 1.58 2.43 50 T C S 90.82 2.84 10.35 14.83 116.05 80.92 -101.77 128.95 93.23 2.94 3.84 36.92 38.55 17.66 0.83 3.05 0.00 1.29 1.69 51 P C C 108.55 2.06 11.35 14.67 110.25 -115.86 -71.68 132.36 98.61 0.69 0.70 45.16 39.48 13.79 0.09 0.78 0.00 0.33 0.37 52 V C C 70.99 7.21 7.41 16.22 118.61 -140.46 -99.20 136.41 98.56 1.26 0.18 61.10 37.13 0.41 0.08 0.08 0.00 0.40 0.80 53 P C C 84.50 1.76 13.19 15.01 113.31 -106.51 -65.25 145.27 98.38 1.23 0.39 96.86 1.30 0.35 0.12 0.16 0.00 0.42 0.79 54 A H G 78.23 4.96 8.10 14.99 93.10 -122.09 -60.63 -32.16 40.30 0.30 59.41 4.12 4.98 27.77 1.65 61.23 0.00 0.16 0.10 55 S H G 97.03 0.67 11.77 11.70 93.81 62.03 -74.11 -14.99 39.60 0.15 60.25 2.02 3.40 30.15 1.55 62.76 0.00 0.08 0.04 56 E H G 127.61 2.30 11.10 14.41 98.91 54.31 -89.70 -5.34 35.46 0.40 64.14 5.27 7.06 20.59 1.71 65.03 0.00 0.20 0.14 57 N C C 53.42 8.83 7.63 17.92 111.29 80.43 -102.24 110.88 98.87 0.53 0.60 68.08 29.96 0.69 0.33 0.23 0.00 0.12 0.59 58 P C T 90.82 3.03 11.52 16.23 93.03 -154.44 -65.56 -21.36 75.90 0.20 23.90 6.69 6.97 61.96 10.04 14.03 0.00 0.09 0.21 59 F C T 125.50 4.20 10.29 16.03 94.55 61.32 -80.81 -9.93 71.12 0.38 28.50 5.95 6.89 57.27 14.22 15.10 0.02 0.19 0.37 60 R C C 139.74 4.32 9.89 16.02 97.46 84.45 -69.64 -20.87 55.05 1.21 43.74 27.07 13.08 14.92 21.37 22.24 0.02 0.53 0.77 61 E C C 133.10 2.30 10.67 14.13 100.76 65.11 -78.60 -10.64 57.49 1.23 41.28 37.24 8.38 11.26 22.84 19.04 0.00 0.59 0.65 62 K C C 128.80 3.97 9.07 14.85 106.87 79.93 -83.66 99.61 56.94 1.19 41.87 35.88 9.05 11.44 21.97 20.47 0.01 0.57 0.62 63 K C C 146.98 2.47 9.38 13.56 108.58 78.02 -87.09 113.42 64.27 1.36 34.37 39.94 10.33 13.50 16.71 18.12 0.01 0.67 0.72 64 F C C 151.56 2.74 8.03 12.44 109.33 69.63 -91.80 108.55 72.78 2.11 25.11 43.84 13.36 15.70 10.10 14.82 0.00 1.09 1.10 65 F C C 153.43 2.45 8.20 12.39 111.51 79.67 -99.12 114.65 86.44 2.18 11.38 73.26 2.69 11.70 5.16 4.73 0.00 1.22 1.24 66 C C C 84.71 5.30 9.92 16.79 109.61 -129.20 -95.56 105.58 99.94 0.05 0.01 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.00