# 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 69.55 4.13 11.40 16.90 110.44 -121.47 -78.11 143.03 99.91 0.03 0.06 99.79 0.10 0.06 0.04 0.00 0.00 0.01 0.01 1 S C C 79.04 2.37 9.65 13.30 107.56 -131.28 -79.78 121.79 72.76 0.46 26.78 66.20 1.17 4.95 25.96 1.27 0.00 0.17 0.27 2 N H H 116.82 1.88 9.35 12.28 101.25 39.87 -77.19 -23.83 41.42 0.51 58.07 24.18 7.66 10.54 54.04 3.11 0.01 0.20 0.26 3 N H H 110.59 1.98 10.16 13.07 97.50 59.07 -71.73 -31.89 28.23 0.38 71.39 14.59 5.83 9.38 66.22 3.64 0.02 0.16 0.18 4 T H H 90.40 1.86 11.45 13.92 94.94 56.61 -68.50 -36.86 17.45 0.25 82.29 9.02 3.49 5.95 78.22 3.08 0.01 0.12 0.10 5 A H H 63.69 2.11 12.20 14.95 94.07 53.12 -66.70 -38.66 14.80 0.19 85.01 8.00 2.75 4.62 82.57 1.91 0.01 0.08 0.08 6 S H H 63.23 2.20 13.11 15.79 93.66 52.98 -66.86 -40.39 11.20 0.14 88.66 6.55 1.95 3.17 87.16 1.05 0.00 0.06 0.06 7 I H H 97.09 2.12 13.64 16.07 92.77 49.98 -65.39 -41.37 3.04 0.03 96.93 1.33 0.47 1.18 96.56 0.44 0.00 0.01 0.01 8 A H H 57.17 2.01 14.27 16.51 91.83 51.16 -63.73 -41.62 1.69 0.01 98.30 0.66 0.21 0.73 98.08 0.31 0.00 0.00 0.00 9 Q H H 104.29 1.75 15.03 16.48 92.13 49.51 -65.24 -40.78 1.42 0.01 98.57 0.50 0.17 0.67 98.42 0.25 0.00 0.00 0.00 10 A H H 57.07 2.44 14.07 17.15 91.79 50.75 -64.02 -41.21 1.01 0.00 98.98 0.34 0.09 0.47 98.93 0.16 0.00 0.00 0.00 11 R H H 140.86 1.77 14.97 16.64 91.69 50.38 -64.61 -40.29 0.69 0.00 99.31 0.19 0.06 0.35 99.30 0.10 0.00 0.00 0.00 12 K H H 122.76 1.58 15.37 16.43 91.94 50.27 -64.96 -40.80 0.60 0.00 99.39 0.14 0.04 0.32 99.41 0.08 0.00 0.00 0.00 13 L H H 91.28 1.85 15.12 16.73 91.90 50.06 -64.44 -41.61 0.50 0.00 99.49 0.11 0.04 0.27 99.51 0.07 0.00 0.00 0.00 14 V H H 79.33 2.22 14.74 17.19 91.73 49.54 -64.24 -41.73 0.40 0.00 99.60 0.09 0.03 0.21 99.61 0.06 0.00 0.00 0.00 15 E H H 104.82 1.84 15.20 16.82 91.58 50.45 -64.03 -41.13 0.43 0.00 99.57 0.08 0.03 0.24 99.58 0.07 0.00 0.00 0.00 16 Q H H 104.79 1.55 15.16 16.14 91.76 50.17 -64.73 -40.97 0.62 0.00 99.38 0.10 0.04 0.38 99.37 0.11 0.00 0.00 0.00 17 L H H 94.69 1.93 14.41 16.41 91.80 50.28 -64.93 -40.85 0.82 0.00 99.18 0.14 0.06 0.49 99.11 0.19 0.00 0.00 0.00 18 K H H 124.65 1.84 14.60 16.55 91.70 50.63 -64.22 -40.56 1.32 0.00 98.68 0.24 0.10 0.81 98.48 0.36 0.00 0.00 0.00 19 M H H 108.63 1.50 15.25 16.04 91.96 49.67 -65.03 -40.97 2.56 0.01 97.43 0.43 0.22 1.68 96.91 0.75 0.00 0.00 0.00 20 E H H 111.36 1.63 15.13 16.26 91.96 49.93 -65.27 -39.79 5.70 0.02 94.28 0.90 0.55 3.87 93.54 1.12 0.01 0.01 0.01 21 A H H 53.11 3.05 13.26 17.54 92.18 51.61 -65.97 -38.82 17.17 0.08 82.75 3.08 1.99 11.63 81.55 1.66 0.01 0.03 0.05 22 N H H 92.15 2.13 14.84 17.03 93.52 52.56 -67.04 -37.74 32.87 0.18 66.96 8.87 3.37 20.31 65.18 2.09 0.01 0.07 0.12 23 I H H 99.15 1.83 14.83 16.37 92.91 52.95 -66.35 -41.14 20.17 0.18 79.65 7.64 4.00 8.88 77.28 2.01 0.02 0.07 0.09 24 D H H 85.80 2.23 14.52 16.98 93.53 49.97 -67.11 -40.05 15.44 0.15 84.41 7.79 2.17 5.55 82.68 1.66 0.00 0.06 0.07 25 R H H 139.51 2.17 14.23 16.78 93.02 51.26 -65.59 -39.92 7.97 0.07 91.96 3.39 1.19 3.45 90.51 1.40 0.00 0.03 0.03 26 I H H 98.96 1.75 15.07 16.49 92.09 50.16 -65.15 -41.35 4.55 0.05 95.39 1.99 0.68 1.90 94.55 0.83 0.00 0.02 0.02 27 K H H 118.85 1.95 15.58 17.38 92.13 50.07 -65.02 -40.55 3.37 0.04 96.59 1.61 0.46 1.37 95.93 0.60 0.00 0.02 0.01 28 V H H 79.32 2.90 14.83 18.35 92.11 49.75 -64.50 -41.68 1.78 0.02 98.20 0.70 0.23 0.79 97.92 0.34 0.00 0.01 0.00 29 S H H 60.68 2.31 15.99 18.35 91.84 50.56 -64.56 -40.93 1.43 0.01 98.55 0.49 0.15 0.68 98.42 0.25 0.00 0.00 0.00 30 K H H 124.80 1.60 17.17 17.84 92.17 49.55 -65.39 -40.92 1.10 0.01 98.90 0.28 0.12 0.62 98.80 0.18 0.00 0.00 0.00 31 A H H 52.38 2.82 15.70 19.05 91.95 50.26 -64.07 -41.73 0.97 0.00 99.02 0.25 0.09 0.52 99.00 0.14 0.00 0.00 0.00 32 A H H 52.60 3.27 15.40 19.63 91.76 50.58 -63.53 -41.05 0.53 0.00 99.47 0.10 0.04 0.28 99.50 0.08 0.00 0.00 0.00 33 A H H 58.72 2.17 16.45 18.44 91.79 50.80 -63.83 -41.01 0.27 0.00 99.73 0.04 0.01 0.15 99.75 0.04 0.00 0.00 0.00 34 D H H 90.11 1.60 16.83 17.50 92.01 49.68 -65.02 -40.81 0.32 0.00 99.68 0.04 0.01 0.19 99.72 0.04 0.00 0.00 0.00 35 L H H 88.33 3.08 15.17 18.97 91.91 50.18 -64.55 -41.50 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 36 M H H 98.16 3.28 15.19 19.34 91.75 50.46 -64.12 -41.13 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 37 A H H 62.13 1.58 16.54 17.13 91.68 50.44 -63.81 -41.41 0.29 0.00 99.71 0.02 0.01 0.19 99.71 0.06 0.00 0.00 0.00 38 Y H H 128.03 1.87 16.08 17.52 92.13 49.65 -64.42 -41.26 0.49 0.00 99.51 0.04 0.02 0.34 99.48 0.12 0.00 0.00 0.00 39 C H H 50.32 6.21 12.27 20.35 92.33 50.16 -64.86 -40.57 0.68 0.00 99.32 0.06 0.03 0.47 99.24 0.20 0.00 0.00 0.00 40 E H H 117.93 2.44 14.88 17.90 91.70 51.42 -64.41 -39.03 1.50 0.00 98.50 0.09 0.07 1.17 98.14 0.54 0.00 0.00 0.00 41 A H H 73.34 1.17 15.84 15.52 92.37 51.05 -67.22 -35.92 7.39 0.00 92.61 0.14 0.23 7.17 91.51 0.94 0.00 0.00 0.00 42 H H H 102.52 3.81 13.15 18.23 98.11 39.26 -96.80 -7.14 24.52 0.02 75.45 0.83 1.06 22.71 73.46 1.89 0.01 0.01 0.02 43 A H G 39.88 10.09 8.88 20.26 92.65 89.69 -61.93 -34.22 20.77 0.10 79.12 2.56 1.66 15.42 19.89 60.36 0.00 0.06 0.05 44 K H G 158.29 1.23 13.68 14.94 91.47 58.60 -69.21 -24.03 27.66 0.06 72.28 1.01 1.35 24.70 8.71 64.15 0.00 0.04 0.04 45 E H G 151.55 0.89 13.71 13.49 97.07 45.05 -94.69 -4.92 28.45 0.11 71.44 1.81 2.90 22.26 4.85 68.08 0.00 0.05 0.05 46 D C C 53.77 8.87 7.19 17.49 111.90 93.85 -93.34 114.72 99.64 0.25 0.11 75.33 24.04 0.21 0.05 0.05 0.00 0.05 0.28 47 P C T 104.65 2.10 11.49 14.91 92.36 -151.70 -64.41 -23.37 81.31 0.13 18.56 1.92 3.92 73.49 0.78 19.75 0.00 0.06 0.07 48 L C T 116.63 2.70 10.90 14.99 93.40 64.64 -77.51 -12.26 81.07 0.35 18.58 1.70 4.09 73.92 0.95 18.98 0.00 0.19 0.16 49 L C C 91.20 6.60 9.10 17.06 99.40 68.44 -83.54 -0.15 67.74 5.28 26.98 25.92 22.38 19.36 2.42 24.36 0.03 2.33 3.18 50 T C C 90.93 2.88 11.47 15.88 118.24 98.13 -103.10 133.79 92.76 4.13 3.11 40.83 36.86 15.04 0.64 2.63 0.00 1.98 2.03 51 P C C 107.51 2.30 11.84 15.52 111.31 -105.49 -69.90 137.91 98.53 0.86 0.60 43.89 41.92 12.58 0.08 0.69 0.00 0.44 0.41 52 V C C 67.52 8.09 7.52 17.06 118.97 -140.66 -102.29 136.53 98.28 1.54 0.18 62.58 35.35 0.46 0.07 0.09 0.00 0.53 0.93 53 P C C 82.24 1.84 13.66 15.52 113.09 -107.10 -64.85 144.19 98.01 1.56 0.43 96.28 1.44 0.41 0.14 0.18 0.00 0.54 1.02 54 A H G 75.34 5.64 8.02 15.48 93.03 -122.93 -60.99 -31.98 45.68 0.40 53.93 4.68 5.57 31.64 1.48 56.27 0.00 0.21 0.16 55 S H G 97.54 0.66 11.73 11.59 93.64 61.61 -72.94 -16.11 45.34 0.16 54.51 1.80 3.50 35.73 1.30 57.53 0.00 0.08 0.05 56 E H G 132.08 1.97 11.28 14.01 98.27 50.60 -91.04 -8.16 40.58 0.39 59.03 4.28 7.01 26.20 1.54 60.63 0.00 0.19 0.15 57 N C C 52.52 8.92 7.56 17.94 112.30 66.84 -109.80 108.72 99.13 0.48 0.39 70.65 27.86 0.51 0.22 0.15 0.00 0.11 0.51 58 P C T 91.52 3.00 11.72 16.36 92.80 -157.88 -64.90 -22.20 69.76 0.19 30.05 5.71 5.96 57.38 13.04 17.62 0.01 0.09 0.20 59 F C T 123.24 4.38 10.56 16.56 94.24 62.87 -82.75 -6.01 65.32 0.40 34.29 5.17 5.92 52.64 17.28 18.39 0.03 0.20 0.37 60 R H H 134.60 4.75 10.19 16.73 96.75 82.24 -73.53 -12.07 49.19 1.27 49.55 24.27 10.72 14.09 25.91 23.67 0.02 0.59 0.72 61 E C C 131.35 2.34 11.90 15.08 101.06 66.92 -83.60 -0.22 52.56 1.36 46.08 32.90 8.49 10.98 29.56 16.74 0.01 0.66 0.66 62 K C H 123.84 4.31 10.09 16.19 107.08 73.28 -85.16 83.15 52.25 1.39 46.36 30.79 9.51 12.18 31.31 14.84 0.02 0.70 0.65 63 K C C 133.56 3.73 10.95 16.23 110.08 66.14 -87.84 117.83 55.62 1.63 42.75 34.20 9.00 12.49 29.93 12.78 0.02 0.85 0.72 64 F C C 133.11 3.81 10.25 15.73 110.20 -122.97 -90.63 117.24 56.92 2.08 41.01 36.46 9.88 10.51 28.78 12.42 0.01 1.15 0.81 65 F C C 136.25 3.34 10.50 15.39 106.96 57.19 -92.60 36.90 56.48 3.57 39.95 35.15 9.61 11.65 27.74 12.47 0.03 2.25 1.11 66 C C C 76.41 5.28 8.84 15.79 111.77 66.55 -98.50 113.72 54.52 7.11 38.38 33.56 9.25 11.71 25.07 13.56 0.06 5.13 1.65 67 A C C 78.63 2.74 9.50 13.78 109.00 -153.53 -92.91 98.33 49.50 15.68 34.82 29.00 9.12 12.08 22.39 12.20 0.19 12.59 2.43 68 I C C 123.84 2.70 9.29 13.53 109.89 -138.05 -91.68 102.23 54.59 16.05 29.37 40.90 2.71 10.88 21.35 7.41 0.07 13.44 3.24 69 L C C 106.29 5.25 11.27 17.93 110.29 -160.06 -93.33 114.99 99.19 0.71 0.10 99.11 0.12 0.10 0.06 0.01 0.00 0.56 0.04