# 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 S C C 73.46 3.48 11.83 16.56 109.84 -127.98 -81.24 130.78 99.94 0.02 0.04 99.84 0.08 0.05 0.02 0.00 0.00 0.01 0.00 1 N C C 110.03 2.59 9.50 13.52 105.54 104.62 -83.67 51.36 63.21 0.30 36.49 55.35 1.12 5.79 36.16 1.29 0.00 0.10 0.18 2 N H H 112.72 1.93 9.52 12.51 97.93 107.77 -71.89 -32.44 30.08 0.24 69.67 15.46 5.34 9.91 66.83 2.23 0.01 0.09 0.13 3 T H H 96.91 1.48 10.93 12.84 94.45 55.98 -67.66 -36.79 14.83 0.12 85.06 6.70 2.66 5.80 82.52 2.20 0.01 0.05 0.05 4 A H H 65.02 1.75 11.83 14.04 93.17 52.05 -66.29 -39.16 8.51 0.07 91.42 4.30 1.43 2.97 89.64 1.61 0.00 0.03 0.03 5 S H H 62.57 2.07 12.70 15.28 93.20 51.92 -66.04 -40.67 5.51 0.05 94.44 2.89 0.87 1.91 93.46 0.83 0.00 0.02 0.02 6 I H H 95.62 2.03 13.31 15.67 92.46 49.97 -65.11 -41.55 1.99 0.01 98.00 0.79 0.27 0.82 97.77 0.34 0.00 0.00 0.00 7 A H H 57.22 1.90 14.07 16.13 91.71 50.87 -63.61 -41.72 1.26 0.01 98.74 0.44 0.13 0.56 98.63 0.23 0.00 0.00 0.00 8 Q H H 106.10 1.63 14.92 16.13 92.17 49.51 -65.19 -40.82 1.18 0.00 98.81 0.35 0.12 0.60 98.74 0.19 0.00 0.00 0.00 9 A H H 57.64 2.32 13.95 16.82 91.77 50.72 -64.01 -41.12 0.90 0.00 99.10 0.25 0.07 0.45 99.10 0.13 0.00 0.00 0.00 10 R H H 141.99 1.68 14.81 16.33 91.68 50.27 -64.57 -40.26 0.58 0.00 99.41 0.14 0.04 0.30 99.44 0.08 0.00 0.00 0.00 11 K H H 122.58 1.54 15.18 16.17 92.02 50.28 -64.97 -40.77 0.49 0.00 99.51 0.10 0.03 0.27 99.54 0.06 0.00 0.00 0.00 12 L H H 92.70 1.74 15.08 16.46 91.79 49.97 -64.46 -41.68 0.38 0.00 99.62 0.07 0.02 0.21 99.64 0.05 0.00 0.00 0.00 13 V H H 80.58 2.08 14.69 16.84 91.77 49.30 -64.37 -41.76 0.29 0.00 99.71 0.05 0.02 0.15 99.74 0.04 0.00 0.00 0.00 14 E H H 104.99 1.80 15.10 16.66 91.58 50.36 -64.16 -41.18 0.29 0.00 99.71 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 15 Q H H 104.96 1.54 15.12 16.09 91.84 50.30 -64.77 -41.03 0.34 0.00 99.66 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 16 L H H 95.94 1.78 14.59 16.21 91.73 50.18 -64.71 -40.93 0.34 0.00 99.66 0.05 0.02 0.20 99.67 0.06 0.00 0.00 0.00 17 K H H 124.90 1.73 14.86 16.49 91.62 50.48 -64.22 -40.74 0.42 0.00 99.58 0.05 0.02 0.25 99.59 0.08 0.00 0.00 0.00 18 M H H 106.03 1.55 15.42 16.27 91.83 49.76 -64.62 -41.31 0.65 0.00 99.35 0.08 0.04 0.41 99.32 0.15 0.00 0.00 0.00 19 E H H 109.24 1.62 15.62 16.61 91.72 49.92 -64.58 -40.86 1.22 0.00 98.77 0.15 0.08 0.81 98.73 0.24 0.00 0.00 0.00 20 A H H 52.67 2.63 14.17 17.63 91.62 50.49 -64.39 -40.79 3.76 0.01 96.23 0.41 0.25 2.74 96.12 0.47 0.00 0.00 0.00 21 N H H 89.99 1.82 15.37 16.88 91.97 50.58 -64.64 -40.43 8.91 0.01 91.08 1.05 0.57 6.68 91.04 0.65 0.00 0.00 0.01 22 I H H 96.41 1.64 15.38 16.45 91.96 50.43 -64.67 -41.58 3.99 0.01 96.00 0.95 0.49 2.23 95.68 0.63 0.00 0.00 0.01 23 D H H 84.48 2.03 14.91 17.00 92.06 50.13 -65.08 -40.58 3.11 0.01 96.87 1.06 0.33 1.54 96.57 0.49 0.00 0.00 0.01 24 R H H 139.87 1.85 14.74 16.58 91.99 50.64 -64.99 -40.51 2.02 0.01 97.98 0.54 0.20 1.11 97.72 0.42 0.00 0.00 0.00 25 I H H 98.98 1.63 15.28 16.36 91.88 49.66 -64.76 -41.52 1.40 0.01 98.59 0.41 0.15 0.70 98.48 0.25 0.00 0.00 0.00 26 K H H 119.82 1.82 15.51 17.08 92.02 49.85 -64.78 -40.86 1.48 0.01 98.51 0.48 0.14 0.74 98.39 0.24 0.00 0.00 0.00 27 V H H 82.42 2.45 14.94 17.70 91.94 49.40 -64.43 -41.55 1.07 0.00 98.92 0.32 0.11 0.53 98.87 0.16 0.00 0.00 0.00 28 S H H 62.04 2.02 15.82 17.65 91.83 50.49 -64.62 -40.89 1.07 0.00 98.93 0.30 0.08 0.54 98.94 0.14 0.00 0.00 0.00 29 K H H 125.03 1.56 16.75 17.42 92.22 49.59 -65.12 -40.84 0.96 0.00 99.04 0.19 0.08 0.58 99.02 0.13 0.00 0.00 0.00 30 A H H 53.55 2.63 15.50 18.61 91.86 49.92 -64.38 -41.55 0.79 0.00 99.21 0.16 0.06 0.44 99.24 0.10 0.00 0.00 0.00 31 A H H 54.52 2.85 15.30 18.85 91.80 50.56 -63.61 -41.02 0.50 0.00 99.50 0.08 0.03 0.27 99.56 0.07 0.00 0.00 0.00 32 A H H 59.47 2.03 16.19 17.97 91.69 50.75 -63.85 -40.98 0.29 0.00 99.71 0.03 0.01 0.16 99.74 0.04 0.00 0.00 0.00 33 D H H 90.19 1.56 16.47 17.16 92.08 49.67 -64.98 -40.71 0.31 0.00 99.69 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 34 L H H 90.86 2.71 15.06 18.31 91.96 50.32 -64.54 -41.43 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 35 M H H 101.72 2.85 15.10 18.61 91.70 50.39 -64.28 -41.12 0.22 0.00 99.78 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 36 A H H 61.67 1.63 16.16 16.97 91.72 50.47 -63.81 -41.42 0.37 0.00 99.63 0.03 0.01 0.24 99.63 0.08 0.00 0.00 0.00 37 Y H H 130.53 1.74 15.91 17.11 92.08 49.70 -64.29 -41.44 0.58 0.00 99.42 0.05 0.03 0.40 99.36 0.16 0.00 0.00 0.00 38 C H H 55.01 5.08 12.62 19.50 92.30 50.13 -64.78 -40.67 0.82 0.00 99.18 0.09 0.04 0.55 99.06 0.25 0.00 0.00 0.00 39 E H H 117.56 2.30 14.84 17.60 91.75 50.96 -64.48 -39.32 1.69 0.00 98.31 0.11 0.08 1.29 97.94 0.57 0.00 0.00 0.00 40 A H H 70.50 1.24 15.63 15.54 92.21 51.03 -66.52 -36.46 7.89 0.00 92.11 0.18 0.29 7.47 91.03 1.02 0.01 0.00 0.00 41 H H H 104.14 3.37 13.33 17.78 96.76 42.04 -89.30 -14.65 23.79 0.02 76.18 0.92 1.12 21.75 74.10 2.07 0.01 0.01 0.02 42 A H G 41.41 9.10 9.03 19.68 92.46 81.67 -62.82 -34.49 20.34 0.10 79.56 2.35 1.60 14.77 28.31 52.85 0.01 0.06 0.05 43 K H G 157.95 1.21 13.48 14.67 91.92 57.84 -69.11 -26.66 28.48 0.06 71.45 1.11 1.42 25.46 14.21 57.72 0.00 0.03 0.04 44 E H G 152.58 0.82 13.36 13.02 96.72 45.53 -93.13 -6.78 31.38 0.12 68.50 1.90 3.22 25.30 8.37 61.07 0.00 0.06 0.07 45 D C C 57.62 8.13 7.08 16.75 111.21 91.38 -95.86 112.04 99.64 0.24 0.12 76.00 23.35 0.24 0.05 0.05 0.00 0.05 0.25 46 P C T 109.40 1.72 10.84 13.80 92.73 -155.44 -64.55 -22.81 87.77 0.14 12.09 2.37 4.64 79.33 0.61 12.90 0.00 0.07 0.08 47 L C T 122.50 2.11 10.53 13.79 93.72 64.64 -79.67 -11.66 87.07 0.44 12.50 2.27 4.92 78.86 0.78 12.72 0.00 0.25 0.20 48 L C C 90.82 6.96 8.35 16.58 101.95 75.71 -84.29 21.07 74.84 6.76 18.39 34.73 24.92 14.45 2.19 16.54 0.03 2.86 4.28 49 T C C 93.92 2.54 11.61 15.58 117.41 112.09 -105.42 130.68 94.34 4.16 1.51 54.18 33.62 6.55 0.36 1.27 0.00 2.13 1.88 50 P C C 106.14 2.57 11.51 15.79 112.44 -112.13 -69.85 141.47 98.64 1.04 0.32 55.73 37.69 5.19 0.05 0.35 0.00 0.55 0.44 51 V C C 68.83 7.97 7.56 17.06 119.10 -141.06 -99.38 136.45 98.40 1.49 0.11 68.58 29.62 0.31 0.04 0.05 0.00 0.52 0.87 52 P C C 83.38 1.77 13.61 15.34 113.77 -106.87 -65.02 146.11 98.52 1.18 0.31 97.03 1.32 0.32 0.09 0.13 0.00 0.42 0.69 53 A H G 77.63 5.14 8.07 15.11 93.06 -119.34 -60.49 -31.45 41.94 0.33 57.73 4.61 5.31 28.39 1.58 59.83 0.00 0.17 0.12 54 S H G 97.45 0.66 11.56 11.46 93.57 61.55 -73.79 -14.79 41.36 0.15 58.49 2.04 3.44 31.70 1.46 61.23 0.00 0.08 0.05 55 E H G 130.80 2.12 11.16 14.15 97.92 54.23 -91.14 -6.33 36.36 0.40 63.25 4.87 6.73 22.05 1.64 64.38 0.00 0.20 0.13 56 N C C 53.11 8.82 7.53 17.82 111.93 77.27 -101.05 110.84 99.11 0.42 0.47 69.41 29.09 0.51 0.28 0.16 0.00 0.10 0.45 57 P C T 92.23 2.88 11.53 16.03 92.75 -153.15 -64.88 -22.47 67.23 0.17 32.60 5.39 5.77 55.20 16.17 17.21 0.01 0.08 0.18 58 F C T 125.63 4.04 10.48 16.11 94.14 61.64 -83.22 -7.00 62.55 0.32 37.12 4.79 5.56 50.35 20.96 17.84 0.04 0.16 0.31 59 R H H 135.64 4.48 10.13 16.38 98.53 77.46 -76.75 -6.10 46.20 1.11 52.70 21.24 10.10 14.73 29.59 23.17 0.03 0.52 0.62 60 E H H 130.11 2.40 11.60 14.87 100.13 66.85 -83.59 -1.75 49.28 1.26 49.46 29.50 8.43 11.43 32.78 16.62 0.01 0.62 0.60 61 K C H 128.19 3.76 10.26 15.72 106.52 66.21 -83.96 81.62 50.05 1.41 48.55 29.46 9.33 11.61 33.86 14.37 0.02 0.72 0.63 62 K C C 133.39 3.68 10.59 15.88 111.03 57.45 -88.51 119.15 54.81 1.77 43.42 34.38 8.49 12.01 30.87 12.53 0.02 0.97 0.73 63 F C C 134.73 3.65 9.82 15.14 110.19 54.41 -92.98 117.04 57.06 2.40 40.55 36.88 9.20 10.83 28.41 12.40 0.01 1.39 0.87 64 F C C 141.40 2.94 9.95 14.43 106.19 53.13 -95.02 23.42 58.01 3.74 38.26 36.19 9.90 11.82 26.72 11.83 0.03 2.36 1.16 65 C C C 81.37 4.47 8.51 14.73 112.86 73.14 -98.47 124.78 57.91 6.77 35.32 36.38 9.64 11.81 23.26 12.38 0.05 4.86 1.61 66 A C C 81.40 2.40 9.04 12.94 109.77 -156.26 -91.74 107.37 53.50 14.07 32.43 32.22 9.58 12.21 21.00 11.33 0.15 11.17 2.35 67 I C C 125.76 2.54 8.82 12.93 110.60 -154.23 -94.17 110.30 58.93 13.88 27.19 45.59 2.63 10.68 19.59 6.92 0.05 11.49 3.04 68 L C C 108.64 4.79 10.83 17.21 110.96 -160.65 -93.52 116.28 99.38 0.55 0.07 99.32 0.10 0.08 0.04 0.01 0.00 0.42 0.03