# 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 118.02 4.15 11.01 16.70 114.19 -153.75 -89.13 131.87 99.92 0.04 0.04 99.86 0.06 0.04 0.02 0.00 0.00 0.01 0.01 1 A C C 72.76 3.05 9.06 13.72 108.91 -123.60 -78.56 143.41 80.14 0.97 18.89 75.32 0.81 4.45 17.32 1.24 0.00 0.45 0.40 2 R C C 159.88 1.90 9.38 12.41 107.67 -111.47 -76.47 126.80 61.17 1.50 37.32 45.60 7.48 7.69 34.73 3.16 0.00 0.72 0.62 3 A H H 74.00 2.71 9.43 13.52 97.34 -92.69 -67.74 -35.67 41.62 0.94 57.45 28.75 6.84 7.43 51.11 5.02 0.01 0.48 0.36 4 S H H 68.95 2.43 10.78 14.19 97.14 55.85 -70.26 -35.97 38.18 0.74 61.09 26.74 6.10 6.83 54.54 5.13 0.01 0.36 0.28 5 E H H 114.78 2.22 11.61 14.62 94.86 53.45 -69.44 -37.44 30.41 0.53 69.06 21.72 4.74 5.47 63.65 3.96 0.00 0.25 0.20 6 K H H 126.91 2.10 12.07 14.82 94.31 52.99 -67.51 -38.45 23.12 0.28 76.60 12.82 4.38 6.89 72.74 2.93 0.01 0.12 0.12 7 G H H 38.16 2.73 12.41 16.15 94.43 51.32 -64.74 -40.18 24.60 0.25 75.15 13.51 4.42 7.53 71.74 2.58 0.01 0.10 0.11 8 E H H 113.04 2.09 12.95 15.43 93.42 51.96 -66.93 -39.30 17.49 0.21 82.30 10.74 3.27 4.43 79.29 2.09 0.00 0.09 0.08 9 E H H 113.19 2.00 13.14 15.54 93.20 51.63 -66.23 -40.00 13.15 0.18 86.68 8.05 2.33 3.53 84.18 1.75 0.00 0.08 0.06 10 K H H 123.15 2.02 13.50 15.86 92.82 51.35 -65.97 -39.87 12.06 0.17 87.77 7.19 2.05 3.53 85.33 1.75 0.00 0.08 0.06 11 K H H 122.44 1.93 13.78 15.94 92.87 50.53 -65.93 -39.69 12.61 0.18 87.21 7.37 2.01 3.93 84.80 1.72 0.01 0.09 0.07 12 Q H H 104.20 2.02 14.12 16.31 92.60 50.37 -65.89 -40.17 13.23 0.15 86.62 7.30 2.33 4.15 84.59 1.49 0.00 0.07 0.06 13 S H H 60.28 2.31 14.04 16.72 92.73 50.27 -65.77 -39.95 14.44 0.12 85.45 7.67 2.32 4.70 83.90 1.32 0.00 0.05 0.05 14 N H H 85.60 2.37 14.04 16.85 92.75 51.06 -65.87 -39.33 14.01 0.09 85.90 6.77 2.27 4.90 84.75 1.22 0.00 0.03 0.04 15 N H H 86.53 2.34 14.09 16.89 92.60 51.89 -65.78 -39.32 10.84 0.08 89.09 5.77 1.65 3.54 87.92 1.06 0.00 0.03 0.03 16 Q H H 104.83 1.95 14.53 16.54 92.35 50.99 -65.30 -41.03 5.65 0.05 94.30 2.61 0.88 2.15 93.42 0.89 0.00 0.02 0.02 17 V H H 81.82 2.38 13.94 16.78 92.16 49.59 -65.41 -41.09 3.90 0.04 96.06 1.80 0.58 1.54 95.16 0.89 0.00 0.02 0.01 18 E H H 106.75 2.58 13.79 17.15 91.97 50.79 -64.76 -39.86 3.26 0.03 96.71 1.43 0.44 1.38 95.68 1.03 0.00 0.01 0.01 19 K H H 125.40 1.92 14.06 16.24 92.20 51.16 -65.69 -39.81 4.05 0.04 95.91 1.34 0.54 2.17 94.42 1.50 0.01 0.02 0.02 20 L H H 104.17 1.91 14.11 16.05 92.68 49.35 -67.06 -38.84 6.46 0.06 93.48 1.75 0.84 3.88 91.65 1.81 0.01 0.03 0.03 21 V H H 84.54 2.92 13.72 17.32 94.20 47.96 -70.92 -35.86 16.45 0.11 83.44 3.86 2.33 10.22 81.87 1.60 0.02 0.04 0.06 22 E H H 105.04 2.88 14.35 17.93 93.54 53.38 -68.07 -36.17 24.14 0.10 75.75 9.06 4.07 10.10 75.32 1.35 0.01 0.03 0.06 23 A H H 54.41 3.18 13.89 18.19 92.75 55.94 -64.34 -41.73 17.15 0.07 82.77 8.79 2.76 5.02 81.67 1.69 0.00 0.03 0.04 24 P H H 71.32 3.12 14.65 18.50 92.82 49.85 -65.69 -39.50 13.57 0.08 86.36 8.63 1.27 3.68 84.73 1.63 0.00 0.03 0.03 25 V H H 80.22 3.01 14.99 18.61 92.52 51.20 -65.57 -40.42 4.04 0.03 95.94 2.13 0.52 1.33 94.87 1.12 0.00 0.01 0.01 26 E H H 105.63 2.38 15.52 18.15 92.28 50.62 -65.09 -40.60 2.09 0.01 97.90 0.93 0.26 0.82 97.51 0.48 0.00 0.00 0.00 27 F H H 113.27 2.86 14.99 18.47 92.21 50.25 -64.79 -41.69 1.32 0.01 98.67 0.50 0.16 0.59 98.45 0.29 0.00 0.00 0.00 28 V H H 82.36 2.89 15.38 18.78 92.01 49.42 -64.52 -41.81 0.82 0.00 99.18 0.27 0.09 0.39 99.08 0.17 0.00 0.00 0.00 29 R H H 136.82 1.99 16.58 18.28 92.02 49.71 -64.65 -41.12 0.73 0.00 99.27 0.20 0.08 0.37 99.20 0.14 0.00 0.00 0.00 30 E H H 99.20 2.55 15.99 18.82 91.77 49.81 -64.42 -40.71 0.87 0.00 99.13 0.17 0.08 0.51 99.10 0.14 0.00 0.00 0.00 31 G H H 30.98 4.25 14.39 20.20 91.80 50.89 -63.83 -40.93 1.69 0.00 98.30 0.21 0.11 1.11 98.39 0.17 0.00 0.00 0.00 32 T H H 71.35 2.86 15.86 19.16 91.99 50.35 -64.54 -40.90 1.30 0.00 98.70 0.22 0.11 0.76 98.72 0.18 0.00 0.00 0.00 33 Q H H 99.89 2.03 15.70 17.56 91.99 50.87 -64.43 -41.24 1.10 0.00 98.89 0.19 0.09 0.69 98.60 0.42 0.00 0.00 0.00 34 F H H 107.48 3.42 14.06 18.56 92.30 49.33 -64.99 -41.40 1.29 0.00 98.71 0.18 0.10 0.89 97.88 0.94 0.00 0.00 0.00 35 L H H 90.51 4.57 13.07 18.98 92.19 50.20 -65.16 -38.64 1.92 0.01 98.08 0.19 0.15 1.46 96.49 1.69 0.00 0.00 0.00 36 A H H 77.30 1.87 13.94 16.12 92.39 53.64 -69.63 -27.42 13.22 0.01 86.77 0.53 0.68 12.07 84.65 2.03 0.01 0.01 0.01 37 K H H 145.18 1.64 13.39 15.16 95.57 53.78 -83.09 -10.76 42.89 0.13 56.98 2.66 3.53 35.93 54.98 2.71 0.04 0.05 0.10 38 C C C 58.87 9.16 7.08 17.25 112.81 93.00 -80.83 134.49 84.12 6.04 9.83 64.14 12.95 5.86 8.04 2.13 0.01 2.08 4.80 39 K C S 155.95 1.44 13.30 15.08 113.12 -150.12 -91.56 138.84 93.71 4.19 2.10 44.00 46.95 3.06 1.30 0.69 0.00 1.62 2.39 40 K C S 155.61 2.21 12.70 16.07 109.57 -64.38 -76.87 116.76 99.25 0.60 0.15 40.27 58.50 0.65 0.05 0.06 0.00 0.24 0.23 41 P C C 53.48 11.89 7.21 19.31 116.34 -128.53 -69.17 149.32 99.51 0.37 0.12 97.71 1.73 0.14 0.06 0.02 0.00 0.12 0.22 42 D C C 87.06 1.62 14.57 15.69 120.21 -117.06 -78.25 165.04 99.13 0.59 0.28 98.36 0.70 0.09 0.20 0.02 0.00 0.11 0.51 43 L H H 131.15 1.68 10.82 13.51 92.22 -101.17 -59.92 -37.13 2.29 0.00 97.71 0.28 0.35 1.45 97.58 0.34 0.00 0.00 0.00 44 K H H 145.36 0.87 13.16 13.07 92.00 52.68 -64.81 -39.71 1.39 0.00 98.61 0.14 0.11 1.01 98.33 0.42 0.00 0.00 0.00 45 E H H 83.84 4.05 11.81 17.63 92.11 49.47 -65.31 -40.64 0.50 0.00 99.50 0.08 0.04 0.30 99.24 0.34 0.00 0.00 0.00 46 Y H H 112.78 4.02 12.40 17.98 92.05 50.56 -64.51 -41.49 0.14 0.00 99.86 0.02 0.01 0.07 99.85 0.06 0.00 0.00 0.00 47 T H H 77.03 1.79 14.87 16.41 91.55 49.74 -64.09 -41.48 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 48 K H H 116.88 2.02 15.59 17.45 92.12 49.77 -65.11 -41.22 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 49 I H H 80.07 4.43 14.50 20.28 92.17 49.29 -64.90 -42.04 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 50 V H H 79.85 2.85 15.83 19.14 91.79 49.70 -64.09 -41.76 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 51 K H H 124.98 1.65 17.17 17.90 92.07 49.73 -64.89 -41.08 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 52 A H H 53.47 3.07 15.83 19.58 92.11 50.00 -64.69 -41.56 0.34 0.00 99.66 0.02 0.01 0.25 99.65 0.07 0.00 0.00 0.00 53 V H H 73.34 3.85 15.31 20.19 92.16 49.21 -65.05 -41.47 2.30 0.00 97.70 0.09 0.08 1.89 97.78 0.16 0.00 0.00 0.00 54 G H H 37.58 2.45 16.19 18.70 91.84 50.65 -63.79 -41.84 5.87 0.00 94.13 0.32 0.23 4.71 94.53 0.21 0.00 0.00 0.00 55 I H H 101.49 1.50 17.43 17.54 91.99 49.11 -64.89 -41.53 2.76 0.00 97.23 0.28 0.20 1.95 97.33 0.24 0.00 0.00 0.00 56 G H H 31.68 3.86 14.58 19.78 92.01 50.79 -64.10 -41.35 1.45 0.00 98.54 0.26 0.11 0.87 98.47 0.29 0.00 0.00 0.00 57 F H H 113.11 3.58 14.52 19.20 91.87 50.27 -64.92 -40.92 0.58 0.00 99.41 0.10 0.04 0.34 99.28 0.23 0.00 0.00 0.00 58 I H H 109.19 1.52 16.18 16.83 92.01 49.64 -64.80 -41.47 0.61 0.00 99.38 0.08 0.04 0.40 99.24 0.23 0.00 0.00 0.00 59 A H H 66.78 1.49 16.42 16.80 92.11 49.12 -65.24 -41.49 1.59 0.00 98.40 0.11 0.08 1.25 98.33 0.21 0.00 0.00 0.00 60 V H H 77.89 3.35 14.62 18.87 92.44 47.97 -65.63 -40.84 2.21 0.00 97.78 0.23 0.14 1.54 97.91 0.17 0.00 0.00 0.00 61 G H H 33.20 4.21 13.90 19.66 91.95 52.45 -63.21 -41.81 1.20 0.00 98.80 0.21 0.08 0.68 98.93 0.10 0.00 0.00 0.00 62 I H H 104.91 1.42 17.01 17.08 92.19 48.66 -64.80 -41.74 0.34 0.00 99.66 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 63 I H H 97.72 1.68 16.73 17.49 91.93 48.75 -64.79 -41.94 0.13 0.00 99.87 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 64 G H H 27.24 4.97 12.98 19.98 91.64 51.17 -63.03 -41.43 0.16 0.00 99.84 0.02 0.00 0.10 99.85 0.03 0.00 0.00 0.00 65 Y H H 127.91 2.33 15.04 17.66 91.78 50.11 -64.43 -41.22 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 66 A H H 66.69 1.30 15.36 15.55 91.85 50.09 -64.33 -41.57 0.23 0.00 99.77 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 67 I H H 95.33 2.33 13.65 16.47 92.19 48.76 -65.56 -40.85 0.47 0.01 99.52 0.06 0.03 0.33 99.35 0.23 0.00 0.01 0.00 68 K H H 110.86 3.95 11.91 17.38 92.23 52.03 -65.34 -38.86 1.35 0.02 98.64 0.12 0.07 1.07 97.95 0.76 0.00 0.02 0.00 69 L H H 112.80 1.37 13.00 14.13 92.52 50.81 -67.19 -37.06 4.34 0.03 95.62 0.36 0.24 3.68 94.06 1.61 0.01 0.02 0.01 70 I H H 119.70 1.14 12.56 13.11 94.65 47.78 -72.51 -34.05 17.02 0.10 82.88 1.35 1.17 14.39 80.98 1.99 0.02 0.05 0.04 71 H H H 117.55 2.93 10.37 14.59 97.60 48.02 -83.04 -20.94 37.74 0.36 61.90 6.10 3.79 27.74 58.79 3.17 0.05 0.16 0.20 72 I H H 97.77 3.48 9.46 14.66 98.87 73.90 -72.00 -37.38 37.49 1.31 61.20 17.19 9.17 12.07 48.68 11.63 0.07 0.75 0.44 73 P H H 93.20 1.76 11.15 13.42 97.44 54.76 -70.23 -30.25 39.30 1.64 59.06 24.58 4.48 10.22 46.31 12.81 0.02 1.17 0.42 74 I H H 112.92 2.30 9.30 12.74 99.02 59.11 -77.61 -21.63 29.92 2.56 67.52 16.96 4.86 8.46 48.90 18.37 0.05 1.76 0.63 75 R H H 154.57 2.38 9.25 13.06 99.36 66.77 -76.77 -17.54 34.39 2.19 63.43 18.90 5.40 10.33 47.64 15.62 0.05 1.45 0.60 76 Y H H 165.84 1.88 8.59 11.73 100.88 61.68 -82.85 -10.51 42.69 2.47 54.84 19.23 6.81 16.60 39.92 15.00 0.07 1.66 0.72 77 V H H 114.56 1.61 7.86 10.60 102.01 73.15 -83.19 -14.67 45.75 6.09 48.16 22.75 7.71 16.09 37.24 10.22 0.16 4.32 1.51 78 I C C 134.40 1.38 8.02 10.47 103.62 67.50 -85.31 0.83 56.78 10.29 32.93 40.84 2.93 12.61 28.31 4.93 0.06 7.11 3.21 79 V C C 103.60 3.53 10.29 15.38 106.96 50.29 -89.99 55.52 99.69 0.27 0.04 99.66 0.07 0.05 0.02 0.00 0.00 0.17 0.02