# 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 127.58 3.52 10.61 15.68 113.00 -153.97 -90.55 131.58 99.88 0.08 0.04 99.74 0.13 0.05 0.02 0.00 0.00 0.03 0.02 1 A C C 78.71 2.94 8.58 13.32 112.02 -135.18 -81.72 139.22 85.34 1.14 13.52 79.47 1.40 5.33 10.71 1.94 0.00 0.56 0.59 2 S C C 83.44 2.18 8.81 12.47 107.99 -132.20 -83.21 124.76 74.11 1.44 24.44 49.33 11.55 12.85 19.78 5.00 0.00 0.64 0.85 3 N C H 120.57 2.08 9.39 12.72 103.73 -131.96 -83.83 15.93 56.52 0.98 42.51 27.57 14.70 15.79 34.38 6.55 0.02 0.38 0.60 4 N H H 103.45 3.00 9.86 14.33 103.60 90.38 -82.55 1.11 46.48 0.77 52.75 23.88 11.43 12.99 45.09 5.85 0.03 0.31 0.43 5 T H H 90.14 2.72 11.23 15.11 97.40 77.13 -71.84 -32.15 30.13 0.51 69.35 16.01 6.96 8.74 63.58 4.23 0.02 0.22 0.24 6 A H H 66.64 2.50 12.28 15.60 95.54 58.19 -68.82 -37.10 25.73 0.41 73.87 14.45 4.98 7.15 70.37 2.69 0.01 0.18 0.17 7 S H H 61.69 2.77 12.87 16.49 95.43 54.79 -68.26 -39.43 18.60 0.30 81.10 11.84 3.22 4.38 78.59 1.71 0.00 0.13 0.12 8 I H H 95.14 2.73 13.16 16.70 93.25 51.83 -65.71 -40.96 4.83 0.06 95.12 2.43 0.84 1.67 94.26 0.75 0.00 0.03 0.02 9 A H H 57.19 2.14 14.48 16.91 92.06 51.08 -63.91 -41.29 2.61 0.03 97.37 1.16 0.35 1.06 96.86 0.55 0.00 0.01 0.01 10 Q H H 102.96 1.90 15.18 16.92 92.18 49.64 -65.42 -40.66 1.96 0.02 98.02 0.78 0.25 0.87 97.68 0.41 0.00 0.01 0.01 11 A H H 54.51 2.95 13.99 17.93 91.92 50.72 -63.86 -41.02 1.38 0.01 98.61 0.49 0.14 0.63 98.47 0.25 0.00 0.00 0.00 12 R H H 139.59 1.96 15.27 17.27 91.72 50.72 -64.73 -40.13 0.97 0.00 99.03 0.28 0.09 0.48 98.99 0.16 0.00 0.00 0.00 13 K H H 122.04 1.63 15.73 16.82 91.98 50.37 -64.98 -40.98 0.78 0.00 99.22 0.20 0.07 0.40 99.21 0.12 0.00 0.00 0.00 14 L H H 89.28 2.10 15.29 17.38 91.98 50.10 -64.51 -41.57 0.61 0.00 99.39 0.15 0.05 0.32 99.38 0.10 0.00 0.00 0.00 15 V H H 77.64 2.52 14.86 17.75 91.80 49.56 -64.20 -41.86 0.47 0.00 99.53 0.11 0.04 0.24 99.53 0.08 0.00 0.00 0.00 16 E H H 103.86 1.89 15.45 17.11 91.74 50.33 -63.89 -41.19 0.51 0.00 99.49 0.10 0.04 0.28 99.48 0.09 0.00 0.00 0.00 17 Q H H 103.12 1.66 15.24 16.44 91.82 50.26 -64.69 -40.90 0.74 0.00 99.25 0.13 0.06 0.44 99.22 0.14 0.00 0.00 0.00 18 L H H 92.96 2.16 14.35 16.75 91.92 50.34 -64.72 -40.61 0.98 0.00 99.02 0.19 0.08 0.57 98.91 0.24 0.00 0.00 0.00 19 K H H 124.46 1.94 14.53 16.62 91.74 50.66 -64.21 -40.62 1.58 0.01 98.41 0.31 0.14 0.97 98.12 0.46 0.00 0.00 0.00 20 M H H 110.76 1.51 14.97 15.89 92.17 49.66 -65.31 -40.44 3.22 0.01 96.77 0.56 0.29 2.12 96.09 0.93 0.00 0.00 0.00 21 E H H 114.70 1.67 14.56 15.94 92.48 50.13 -66.40 -38.22 7.33 0.03 92.64 1.25 0.76 4.97 91.61 1.37 0.01 0.01 0.02 22 A H H 56.01 3.22 12.60 17.17 93.22 53.12 -67.53 -35.51 22.57 0.12 77.31 4.21 2.74 15.35 75.55 2.00 0.02 0.04 0.08 23 N H H 97.58 2.29 14.10 16.74 95.67 55.25 -70.97 -29.65 43.29 0.27 56.44 11.59 4.55 26.92 54.05 2.62 0.02 0.10 0.17 24 I H H 99.54 2.34 13.58 16.31 95.19 61.36 -69.37 -38.97 31.00 0.36 68.65 13.98 6.76 10.85 65.76 2.32 0.01 0.14 0.18 25 D H H 88.20 2.36 13.72 16.50 95.93 52.48 -68.46 -39.06 21.19 0.23 78.58 12.29 3.02 6.06 76.62 1.82 0.00 0.10 0.10 26 R H H 145.82 2.12 13.64 16.22 93.57 51.98 -65.98 -38.95 9.89 0.11 90.00 4.31 1.57 4.20 88.05 1.77 0.01 0.05 0.04 27 I H H 100.41 1.76 14.68 16.17 92.53 51.08 -65.68 -41.18 6.02 0.09 93.89 2.71 0.93 2.51 92.58 1.19 0.01 0.04 0.03 28 K H H 116.64 2.11 15.21 17.37 92.32 50.25 -65.40 -40.60 4.19 0.06 95.75 2.06 0.61 1.67 94.82 0.78 0.00 0.03 0.02 29 V H H 78.83 2.91 14.55 18.24 92.29 49.97 -64.59 -41.85 2.01 0.02 97.97 0.85 0.27 0.86 97.62 0.39 0.00 0.01 0.01 30 S H H 61.28 2.19 15.86 18.03 91.97 50.52 -64.45 -41.01 1.52 0.01 98.47 0.56 0.16 0.70 98.31 0.26 0.00 0.00 0.00 31 K H H 124.46 1.59 16.97 17.67 92.26 49.81 -65.36 -41.08 1.06 0.01 98.93 0.30 0.12 0.57 98.82 0.18 0.00 0.00 0.00 32 A H H 52.63 2.75 15.57 18.85 92.04 50.30 -64.14 -41.70 0.91 0.00 99.08 0.24 0.09 0.48 99.04 0.14 0.00 0.00 0.00 33 A H H 53.49 3.03 15.30 19.19 91.81 50.67 -63.52 -41.05 0.56 0.00 99.44 0.11 0.04 0.30 99.47 0.08 0.00 0.00 0.00 34 A H H 59.41 2.08 16.28 18.11 91.76 50.74 -63.78 -41.03 0.32 0.00 99.68 0.05 0.02 0.18 99.71 0.05 0.00 0.00 0.00 35 D H H 90.14 1.58 16.58 17.24 92.07 49.76 -64.98 -40.53 0.37 0.00 99.63 0.05 0.02 0.22 99.67 0.04 0.00 0.00 0.00 36 L H H 90.44 2.71 15.04 18.30 91.91 50.50 -64.49 -41.29 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 37 M H H 101.39 2.83 15.09 18.59 91.70 50.58 -64.17 -41.19 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 38 A H H 61.87 1.58 16.24 16.89 91.66 50.49 -63.79 -41.44 0.30 0.00 99.70 0.02 0.01 0.20 99.70 0.06 0.00 0.00 0.00 39 Y H H 129.30 1.76 15.86 17.11 92.05 49.52 -64.56 -41.33 0.52 0.00 99.48 0.04 0.02 0.37 99.45 0.11 0.00 0.00 0.00 40 C H H 56.56 4.79 12.70 19.21 92.19 50.21 -65.13 -41.02 0.71 0.00 99.29 0.07 0.04 0.48 99.24 0.17 0.00 0.00 0.00 41 E H H 116.86 2.15 14.87 17.33 91.77 50.76 -64.52 -39.90 1.43 0.00 98.57 0.10 0.07 1.07 98.34 0.42 0.00 0.00 0.00 42 A H H 69.37 1.30 15.63 15.68 92.29 50.56 -66.25 -37.68 6.42 0.00 93.58 0.16 0.23 6.02 92.76 0.81 0.00 0.00 0.00 43 H H H 105.48 3.13 13.46 17.50 96.69 41.67 -88.15 -17.21 18.32 0.02 81.65 0.74 0.93 16.74 79.95 1.61 0.02 0.01 0.02 44 A H G 42.45 8.37 9.31 19.39 92.55 73.93 -63.16 -34.81 19.11 0.10 80.79 2.25 1.49 13.38 37.49 45.27 0.01 0.06 0.06 45 K H G 154.63 1.33 13.44 14.93 91.90 57.29 -69.18 -26.61 29.78 0.07 70.15 1.13 1.41 26.40 20.57 50.39 0.01 0.03 0.05 46 E H G 150.85 0.88 13.45 13.27 96.85 45.75 -94.26 -5.13 33.79 0.13 66.08 1.98 3.42 27.24 12.25 54.95 0.01 0.06 0.09 47 D C C 57.55 7.62 7.33 16.75 111.55 96.08 -92.27 115.34 99.60 0.28 0.12 76.00 23.31 0.22 0.06 0.05 0.00 0.06 0.31 48 P C T 104.05 2.13 10.50 14.24 92.31 -153.58 -64.43 -23.67 79.21 0.15 20.64 2.16 4.08 71.01 1.25 21.34 0.00 0.07 0.09 49 L C T 124.75 1.86 10.30 13.16 93.32 64.74 -75.57 -14.30 79.37 0.33 20.30 1.71 4.57 71.91 1.50 19.95 0.00 0.17 0.18 50 L C T 105.25 4.13 9.30 14.94 98.29 59.01 -84.19 -8.44 69.08 4.10 26.82 18.90 21.06 29.35 2.44 23.88 0.03 1.83 2.51 51 T C S 87.97 3.18 10.15 15.08 116.42 80.81 -100.96 128.87 92.25 3.36 4.39 33.62 37.16 21.48 0.98 3.36 0.00 1.50 1.90 52 P C C 109.17 2.03 11.50 14.72 108.90 -117.37 -71.59 124.12 98.45 0.75 0.80 40.37 40.10 17.82 0.10 0.87 0.00 0.36 0.38 53 V C C 69.78 7.31 7.47 16.37 118.67 -143.45 -99.25 134.91 98.26 1.50 0.24 59.90 37.99 0.49 0.10 0.11 0.00 0.50 0.90 54 P C C 83.61 1.85 13.31 15.29 112.90 -106.74 -65.43 144.47 98.05 1.49 0.46 96.47 1.33 0.39 0.14 0.19 0.00 0.51 0.96 55 A H G 77.12 5.33 8.13 15.33 93.08 -122.80 -61.68 -31.55 40.79 0.35 58.85 4.59 5.20 27.65 1.68 60.57 0.00 0.19 0.12 56 S H G 96.91 0.69 11.94 11.88 93.86 62.52 -73.94 -15.33 40.42 0.17 59.40 2.14 3.59 30.65 1.59 61.89 0.00 0.09 0.05 57 E H G 127.07 2.37 11.26 14.68 99.16 53.92 -89.60 -5.14 36.32 0.41 63.26 5.39 7.24 21.28 1.77 63.97 0.00 0.21 0.14 58 N C C 53.76 8.95 7.93 18.34 110.57 69.44 -104.13 109.14 98.88 0.50 0.62 69.63 28.45 0.68 0.33 0.24 0.00 0.12 0.55 59 P C T 88.15 3.46 11.73 16.99 92.95 -157.54 -65.53 -20.84 73.67 0.23 26.10 7.26 6.51 59.55 9.41 16.94 0.00 0.10 0.23 60 F C T 122.52 4.76 10.47 16.80 94.70 62.30 -83.08 -6.74 68.93 0.41 30.66 6.22 6.52 55.18 13.28 18.20 0.02 0.20 0.38 61 R C C 139.57 4.53 10.13 16.44 96.82 90.52 -70.15 -18.14 54.89 1.25 43.86 28.70 12.55 13.57 19.60 24.26 0.01 0.55 0.76 62 E C C 131.88 2.47 10.74 14.44 104.18 69.21 -83.25 24.44 59.47 1.33 39.21 39.96 8.20 10.74 20.91 18.85 0.00 0.63 0.70 63 K C C 131.78 3.97 8.99 14.83 108.10 95.83 -82.75 114.06 61.45 1.35 37.20 39.71 9.65 11.50 19.67 18.11 0.01 0.64 0.71 64 K C C 147.90 2.39 9.33 13.41 110.24 -143.40 -88.42 119.78 68.92 1.55 29.53 43.28 11.61 13.72 14.51 15.30 0.00 0.76 0.82 65 F C C 153.72 2.55 7.97 12.25 108.61 -140.21 -91.31 90.21 76.42 2.61 20.97 45.66 15.32 15.71 8.99 11.62 0.01 1.32 1.38 66 F C C 153.03 2.58 7.78 12.15 111.19 66.22 -98.64 112.24 89.55 2.51 7.94 76.06 2.93 11.19 3.87 3.12 0.00 1.35 1.49 67 S C C 76.50 4.45 10.01 16.09 108.55 -141.61 -90.30 101.92 99.94 0.05 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.02 0.00