# 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 124.63 3.79 10.46 15.88 114.30 -154.21 -92.00 131.78 99.89 0.07 0.04 99.78 0.11 0.05 0.02 0.00 0.00 0.03 0.02 1 A C C 79.32 2.86 8.55 13.14 111.23 -132.45 -81.80 134.25 83.15 1.30 15.55 77.13 1.36 5.55 12.50 2.15 0.00 0.62 0.68 2 S C C 85.09 1.99 8.78 12.14 107.23 -134.66 -85.18 112.29 70.40 1.57 28.02 45.88 11.45 12.74 23.21 5.14 0.00 0.70 0.87 3 N C H 117.42 2.30 9.32 12.93 103.12 -52.87 -84.03 9.75 52.47 1.02 46.50 26.36 13.32 14.60 38.18 6.51 0.03 0.42 0.57 4 N H H 101.57 3.23 10.03 14.71 102.53 84.36 -81.47 0.13 42.12 0.79 57.09 22.36 9.86 11.85 49.31 5.84 0.03 0.34 0.41 5 T H H 88.82 2.94 11.34 15.47 97.22 74.42 -70.75 -31.50 28.63 0.56 70.81 15.18 6.38 8.69 64.72 4.50 0.02 0.26 0.25 6 A H H 66.73 2.50 12.52 15.80 95.67 56.83 -69.12 -36.76 26.12 0.47 73.41 14.53 5.05 7.47 69.60 2.94 0.01 0.21 0.19 7 S H H 60.64 2.98 13.16 17.04 94.91 54.02 -67.99 -38.88 20.26 0.36 79.38 12.88 3.52 4.71 76.81 1.78 0.01 0.16 0.14 8 I H H 91.94 3.35 13.18 17.53 93.27 51.78 -65.56 -41.19 4.95 0.06 94.99 2.43 0.87 1.74 94.16 0.74 0.00 0.02 0.02 9 A H H 57.66 2.15 14.90 17.24 91.97 51.16 -63.87 -41.32 2.65 0.03 97.32 1.16 0.36 1.09 96.83 0.54 0.00 0.01 0.01 10 Q H H 102.90 1.93 15.59 17.28 92.15 49.61 -65.53 -40.59 1.98 0.02 98.00 0.79 0.25 0.87 97.65 0.42 0.00 0.01 0.01 11 A H H 51.01 3.69 13.93 18.93 92.00 51.11 -63.97 -41.06 1.37 0.01 98.62 0.49 0.14 0.62 98.48 0.25 0.00 0.00 0.00 12 R H H 137.77 2.29 15.60 18.14 91.75 50.71 -64.44 -40.25 0.95 0.00 99.05 0.28 0.09 0.46 99.01 0.15 0.00 0.00 0.00 13 K H H 122.61 1.62 16.16 17.10 91.99 50.32 -65.15 -41.06 0.77 0.00 99.23 0.20 0.07 0.39 99.21 0.12 0.00 0.00 0.00 14 L H H 87.01 2.41 15.49 18.11 92.01 49.97 -64.62 -41.57 0.63 0.00 99.36 0.15 0.05 0.34 99.36 0.10 0.00 0.00 0.00 15 V H H 73.49 3.22 14.81 18.77 91.91 49.57 -64.23 -41.72 0.51 0.00 99.49 0.12 0.04 0.27 99.48 0.09 0.00 0.00 0.00 16 E H H 103.63 2.00 15.69 17.52 91.77 50.45 -63.88 -41.05 0.57 0.00 99.43 0.11 0.04 0.32 99.41 0.11 0.00 0.00 0.00 17 Q H H 102.80 1.69 15.34 16.60 91.80 50.32 -64.79 -40.88 0.87 0.00 99.13 0.16 0.07 0.52 99.07 0.18 0.00 0.00 0.00 18 L H H 90.01 2.62 14.08 17.29 92.04 50.47 -65.28 -40.51 1.21 0.00 98.78 0.24 0.10 0.72 98.59 0.34 0.00 0.00 0.00 19 K H H 123.58 2.24 14.33 17.01 91.90 51.07 -64.37 -39.88 2.13 0.01 97.86 0.42 0.19 1.32 97.38 0.68 0.00 0.00 0.00 20 M H H 113.38 1.53 14.75 15.78 92.34 50.00 -65.96 -39.90 4.54 0.02 95.44 0.79 0.43 3.03 94.43 1.29 0.01 0.01 0.01 21 E H H 116.08 1.90 14.13 16.02 92.99 50.25 -68.05 -36.16 10.34 0.06 89.60 1.98 1.20 6.87 88.12 1.76 0.02 0.02 0.03 22 A H H 56.37 4.11 11.79 17.46 95.04 58.15 -69.27 -32.20 29.66 0.25 70.09 6.85 4.08 18.85 67.52 2.43 0.03 0.09 0.15 23 N C H 101.92 2.47 13.53 16.63 97.67 57.93 -74.65 -16.03 50.35 0.45 49.20 16.73 5.82 27.71 46.10 3.18 0.02 0.18 0.26 24 I H H 99.48 2.96 12.65 16.47 98.71 69.77 -73.27 -35.32 40.31 0.62 59.07 19.22 9.40 12.21 55.79 2.82 0.02 0.24 0.29 25 D H H 89.59 2.65 13.22 16.55 98.30 53.31 -71.82 -36.97 32.43 0.42 67.15 20.69 4.21 7.49 64.99 2.27 0.00 0.18 0.17 26 R H H 146.02 2.56 12.98 16.39 94.04 53.53 -66.63 -37.91 15.02 0.22 84.75 7.31 2.55 5.62 81.75 2.56 0.01 0.11 0.09 27 I H H 101.37 1.92 14.39 16.26 92.95 51.86 -66.12 -40.32 10.77 0.22 89.01 5.32 1.79 4.06 86.72 1.93 0.01 0.11 0.08 28 K H H 116.09 2.41 15.17 17.82 92.91 50.49 -66.39 -39.96 8.24 0.17 91.59 4.75 1.24 2.69 89.86 1.31 0.00 0.08 0.07 29 V H H 75.30 3.80 14.17 19.11 92.46 50.86 -65.35 -41.34 3.18 0.04 96.78 1.58 0.46 1.21 96.17 0.56 0.00 0.02 0.01 30 S H H 60.54 2.53 15.97 18.73 92.13 50.90 -64.86 -40.94 2.27 0.03 97.70 1.00 0.27 0.95 97.37 0.40 0.00 0.01 0.01 31 K H H 124.32 1.66 17.34 18.11 92.36 49.73 -65.61 -40.99 1.54 0.01 98.45 0.54 0.19 0.76 98.22 0.28 0.00 0.01 0.01 32 A H H 49.61 3.38 15.60 19.85 92.10 50.33 -64.14 -41.69 1.25 0.01 98.74 0.40 0.13 0.62 98.63 0.20 0.00 0.00 0.00 33 A H H 50.44 3.87 15.37 20.45 91.75 50.70 -63.57 -41.02 0.70 0.00 99.30 0.18 0.06 0.35 99.30 0.11 0.00 0.00 0.00 34 A H H 59.12 2.19 16.82 18.74 91.75 50.78 -63.92 -41.06 0.36 0.00 99.64 0.07 0.03 0.19 99.66 0.05 0.00 0.00 0.00 35 D H H 89.19 1.72 17.06 17.93 92.05 49.73 -65.15 -40.48 0.39 0.00 99.61 0.06 0.02 0.23 99.65 0.05 0.00 0.00 0.00 36 L H H 84.38 3.76 15.17 19.87 91.94 50.38 -64.46 -41.26 0.27 0.00 99.73 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 37 M H H 96.72 3.63 15.43 20.01 91.81 50.68 -64.06 -41.17 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 38 A H H 62.24 1.59 16.95 17.43 91.68 50.44 -63.79 -41.54 0.30 0.00 99.70 0.03 0.01 0.20 99.71 0.06 0.00 0.00 0.00 39 Y H H 126.06 2.06 16.34 18.07 92.17 49.47 -64.68 -41.55 0.49 0.00 99.51 0.04 0.02 0.35 99.48 0.11 0.00 0.00 0.00 40 C H H 48.86 6.61 12.62 21.02 92.23 50.13 -64.65 -40.88 0.67 0.00 99.33 0.07 0.04 0.46 99.27 0.17 0.00 0.00 0.00 41 E H H 115.20 2.56 15.42 18.48 91.69 51.23 -64.19 -39.78 1.33 0.00 98.67 0.09 0.06 1.00 98.42 0.42 0.00 0.00 0.00 42 A H H 69.16 1.29 16.30 16.13 92.48 50.68 -66.19 -37.91 6.21 0.00 93.79 0.15 0.22 5.82 92.97 0.82 0.01 0.00 0.00 43 H H H 100.56 3.83 13.76 18.67 96.46 40.90 -84.82 -18.73 18.88 0.02 81.09 0.74 0.93 17.30 79.31 1.69 0.02 0.00 0.02 44 A H G 38.78 9.86 9.27 20.51 92.54 74.49 -63.38 -34.10 20.71 0.11 79.18 2.53 1.58 14.57 34.86 46.32 0.01 0.06 0.07 45 K H G 155.55 1.37 13.84 15.37 91.87 58.27 -69.04 -25.76 31.65 0.08 68.27 1.25 1.48 28.31 17.44 51.41 0.01 0.04 0.06 46 E H G 152.00 0.86 13.84 13.51 96.95 45.63 -94.22 -7.82 35.29 0.13 64.58 2.13 3.51 28.48 9.71 56.00 0.01 0.06 0.10 47 D C C 56.02 8.45 7.38 17.37 111.27 92.51 -94.80 113.64 99.64 0.26 0.10 76.20 23.18 0.21 0.05 0.04 0.00 0.05 0.28 48 P C T 105.17 2.15 11.29 14.88 92.36 -152.47 -64.89 -23.13 78.25 0.14 21.62 1.88 3.77 70.29 0.79 23.13 0.00 0.06 0.07 49 L C T 117.71 2.58 10.98 14.89 93.25 64.61 -78.19 -13.02 77.87 0.36 21.77 1.64 3.97 70.65 0.97 22.43 0.00 0.19 0.15 50 L C G 90.47 6.76 9.29 17.39 100.95 70.36 -83.94 1.71 64.54 5.28 30.19 25.51 20.02 19.09 2.45 27.45 0.03 2.35 3.09 51 T C C 87.56 3.37 11.40 16.46 117.56 103.03 -101.50 133.19 92.74 4.24 3.02 45.43 33.64 13.56 0.63 2.61 0.00 2.00 2.13 52 P C C 105.92 2.55 12.05 16.03 111.05 -107.24 -69.88 137.07 98.36 1.04 0.60 43.47 42.97 11.78 0.07 0.70 0.00 0.52 0.48 53 V C C 66.14 8.17 7.73 17.37 118.91 -147.70 -101.10 136.33 98.06 1.77 0.17 60.33 37.43 0.44 0.06 0.09 0.00 0.62 1.03 54 P C C 81.72 1.90 13.81 15.75 112.82 -107.13 -64.94 143.94 97.95 1.65 0.40 96.22 1.43 0.40 0.13 0.17 0.00 0.57 1.08 55 A C G 74.88 5.87 8.11 15.73 92.89 -122.06 -61.22 -31.82 49.84 0.43 49.73 4.73 6.01 35.02 1.38 52.44 0.00 0.22 0.19 56 S H G 97.16 0.68 11.80 11.71 93.43 61.58 -73.27 -15.39 49.39 0.17 50.44 1.78 3.80 39.65 1.21 53.41 0.00 0.09 0.07 57 E H G 131.11 2.03 11.30 14.15 99.02 50.26 -90.98 -7.22 44.80 0.46 54.75 4.53 7.79 29.22 1.48 56.56 0.00 0.22 0.20 58 N C C 52.25 8.86 7.60 17.94 111.91 64.73 -109.86 105.98 99.17 0.50 0.33 73.25 25.28 0.52 0.16 0.14 0.00 0.12 0.53 59 P C T 90.90 3.19 11.52 16.46 93.17 -159.40 -65.68 -20.42 75.06 0.22 24.72 5.59 6.26 63.01 8.08 16.75 0.00 0.10 0.21 60 F C T 126.30 4.35 10.42 16.36 94.62 62.90 -83.27 -5.00 71.29 0.44 28.27 5.14 6.46 58.90 11.28 17.59 0.02 0.22 0.39 61 R C C 141.49 4.39 10.06 16.23 99.41 85.39 -76.03 -6.15 55.89 1.47 42.64 27.57 13.08 15.45 17.55 24.80 0.02 0.68 0.87 62 E C C 137.14 2.25 11.32 14.46 103.82 71.09 -84.50 19.99 60.75 1.55 37.70 39.66 9.40 11.18 20.97 17.23 0.00 0.75 0.81 63 K C C 131.80 4.09 9.28 15.30 110.37 87.04 -86.88 122.40 61.21 1.85 36.94 41.67 9.87 9.48 22.28 14.90 0.01 0.91 0.88 64 K C C 142.09 2.94 10.25 14.95 114.51 -155.16 -93.95 131.00 65.49 2.13 32.38 45.89 9.94 9.48 20.63 12.02 0.01 1.13 0.90 65 F C C 141.71 3.79 8.98 14.67 113.63 -133.20 -94.50 127.48 66.95 3.06 29.98 46.57 10.16 9.92 18.53 11.90 0.01 1.76 1.16 66 F C C 146.12 2.95 9.05 13.77 114.72 -162.76 -103.69 127.60 65.75 4.71 29.54 41.23 12.00 12.31 18.18 11.79 0.03 2.90 1.57 67 S C C 77.67 3.36 8.26 13.46 113.29 -148.82 -101.57 127.03 63.81 8.28 27.91 39.54 11.78 12.60 16.49 11.64 0.05 5.91 1.98 68 A C C 82.53 2.48 8.18 12.41 114.32 -156.70 -97.98 129.02 56.83 17.58 25.59 36.16 10.20 10.92 15.21 10.39 0.12 14.23 2.77 69 I C C 128.76 2.41 8.24 12.42 113.11 -153.18 -95.96 122.09 61.24 19.19 19.57 49.92 2.53 8.62 13.27 5.73 0.05 15.66 4.23 70 L C C 112.89 4.30 10.20 16.25 112.79 -158.86 -96.32 122.95 99.18 0.75 0.07 99.12 0.11 0.08 0.04 0.01 0.00 0.61 0.04