# 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 V C C 87.57 6.41 13.00 20.67 114.22 -140.29 -88.05 136.57 99.95 0.02 0.03 99.90 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 A C C 61.79 6.22 10.12 17.90 109.02 -112.44 -73.11 139.16 85.71 0.92 13.37 80.03 0.94 5.50 11.10 1.52 0.00 0.42 0.49 2 N C C 108.69 3.16 10.82 15.50 105.97 -129.84 -85.35 80.23 83.84 1.08 15.08 62.04 12.32 8.34 13.87 2.36 0.00 0.44 0.62 3 I C H 94.81 4.55 9.92 16.12 106.45 121.74 -81.41 -4.28 54.78 0.96 44.27 33.55 15.96 5.25 42.42 2.02 0.01 0.31 0.47 4 K H H 136.36 2.13 12.83 15.64 94.65 55.73 -63.86 -38.64 16.13 0.21 83.67 8.29 3.13 5.38 79.68 3.32 0.01 0.09 0.09 5 S H H 60.01 2.71 13.41 16.88 93.58 50.90 -66.20 -38.54 13.69 0.16 86.16 6.81 2.16 5.16 82.24 3.47 0.01 0.08 0.07 6 Q H H 78.73 4.76 12.99 19.44 92.99 52.19 -66.22 -38.32 8.40 0.11 91.49 4.76 1.35 2.80 88.41 2.57 0.00 0.05 0.05 7 Q H H 88.64 4.07 14.50 19.68 92.39 52.40 -65.17 -41.00 5.06 0.06 94.87 2.81 0.80 1.70 93.60 1.03 0.00 0.03 0.02 8 K H H 116.20 2.36 16.39 18.82 92.42 50.53 -65.19 -40.89 3.99 0.04 95.97 2.08 0.56 1.44 95.24 0.63 0.00 0.02 0.02 9 R H H 127.83 3.50 16.24 20.41 92.33 50.54 -65.38 -40.52 3.13 0.03 96.84 1.47 0.40 1.23 96.42 0.46 0.00 0.01 0.01 10 N H H 74.50 4.93 16.05 22.09 92.52 50.19 -65.68 -40.46 2.67 0.02 97.31 1.12 0.32 1.09 97.11 0.34 0.00 0.01 0.01 11 R H H 128.62 2.67 18.21 20.67 92.10 50.02 -65.04 -40.92 2.58 0.02 97.41 0.95 0.30 1.13 97.32 0.29 0.00 0.00 0.00 12 T H H 63.12 4.04 17.73 22.36 92.36 49.68 -65.05 -41.80 2.27 0.01 97.72 0.79 0.27 0.97 97.77 0.19 0.00 0.00 0.00 13 N H H 63.95 7.18 16.46 24.97 92.37 50.29 -65.56 -40.52 1.87 0.00 98.12 0.66 0.19 0.76 98.24 0.15 0.00 0.00 0.00 14 E H H 98.69 3.54 18.70 22.41 91.81 50.32 -64.91 -41.15 1.24 0.00 98.75 0.35 0.12 0.58 98.83 0.12 0.00 0.00 0.00 15 R H H 129.61 2.36 20.17 21.74 91.92 49.44 -64.59 -41.35 0.86 0.00 99.14 0.20 0.08 0.42 99.21 0.10 0.00 0.00 0.00 16 A H H 32.17 8.98 16.16 26.81 91.94 50.61 -64.32 -41.17 0.76 0.00 99.24 0.16 0.06 0.37 99.32 0.09 0.00 0.00 0.00 17 R H H 113.60 6.94 18.22 26.07 91.96 50.77 -64.50 -40.66 0.94 0.00 99.06 0.18 0.07 0.49 99.16 0.10 0.00 0.00 0.00 18 L H H 91.06 2.59 20.72 22.31 92.06 49.54 -64.69 -41.44 0.82 0.00 99.18 0.16 0.07 0.44 99.25 0.09 0.00 0.00 0.00 19 R H H 119.83 4.26 20.39 24.99 92.06 49.40 -64.57 -41.16 0.76 0.00 99.24 0.15 0.06 0.41 99.30 0.08 0.00 0.00 0.00 20 N H H 36.73 14.62 15.83 30.82 92.27 50.32 -65.22 -40.08 1.00 0.00 99.00 0.19 0.08 0.57 99.07 0.10 0.00 0.00 0.00 21 K H H 115.29 4.29 20.94 25.69 91.78 51.17 -64.24 -40.52 0.67 0.00 99.33 0.12 0.06 0.38 99.37 0.08 0.00 0.00 0.00 22 A H H 58.26 2.64 22.45 23.90 91.97 50.19 -64.40 -41.62 0.76 0.00 99.24 0.13 0.06 0.44 99.28 0.08 0.00 0.00 0.00 23 V H H 28.24 14.22 18.43 33.26 92.00 48.82 -64.59 -42.72 0.76 0.00 99.24 0.14 0.07 0.44 99.27 0.08 0.00 0.00 0.00 24 K H H 64.05 15.16 18.91 33.48 91.46 51.52 -62.47 -42.30 0.66 0.00 99.34 0.14 0.06 0.36 99.37 0.07 0.00 0.00 0.00 25 S H H 60.29 2.48 24.10 25.20 91.37 50.04 -63.95 -41.10 0.96 0.00 99.03 0.20 0.07 0.54 99.10 0.08 0.00 0.00 0.00 26 S H H 50.86 5.21 22.93 28.34 91.60 49.92 -65.05 -40.84 1.03 0.00 98.97 0.14 0.06 0.63 99.09 0.08 0.00 0.00 0.00 27 L H H 11.92 21.89 16.07 38.00 92.01 50.51 -64.59 -42.56 0.45 0.00 99.55 0.07 0.03 0.23 99.64 0.04 0.00 0.00 0.00 28 R H H 113.47 8.74 22.33 31.48 91.21 51.56 -62.18 -42.18 0.23 0.00 99.77 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 29 T H H 77.63 1.95 25.43 25.22 91.59 49.36 -64.13 -41.79 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 30 A H H 18.14 13.74 20.24 34.73 91.70 50.19 -64.51 -42.20 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 31 V H H 16.02 20.13 18.42 38.28 91.36 50.02 -63.50 -42.84 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 32 R H H 127.74 3.05 25.10 27.70 91.28 50.45 -63.33 -41.58 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 A H H 50.03 4.44 23.88 28.29 91.65 49.96 -64.37 -41.49 0.21 0.00 99.79 0.01 0.00 0.15 99.80 0.04 0.00 0.00 0.00 34 F H H 13.29 21.66 16.90 38.49 91.71 50.31 -64.36 -42.68 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 35 R H H 100.17 11.37 21.80 32.81 91.38 51.07 -62.48 -42.02 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.04 0.00 0.00 0.00 36 E H H 111.39 1.66 24.71 23.91 91.63 49.64 -64.22 -41.75 0.29 0.00 99.71 0.02 0.01 0.20 99.69 0.07 0.00 0.00 0.00 37 A H H 19.31 9.26 17.23 28.77 91.74 49.53 -64.60 -41.07 0.56 0.00 99.44 0.05 0.04 0.37 99.33 0.21 0.00 0.00 0.00 38 A H H 18.41 17.43 12.81 30.20 91.86 51.74 -64.15 -40.99 1.53 0.00 98.47 0.15 0.09 1.14 97.95 0.67 0.00 0.00 0.00 39 H H H 146.69 1.97 18.13 20.41 91.36 51.50 -66.95 -32.03 6.77 0.00 93.23 0.23 0.31 6.13 92.67 0.66 0.00 0.00 0.00 40 A C T 78.36 1.70 16.28 17.42 92.50 54.10 -83.29 -7.38 65.17 0.01 34.82 0.53 1.70 61.37 35.52 0.86 0.00 0.00 0.01 41 G C T 50.75 4.43 13.80 19.84 95.74 -110.36 83.03 11.56 99.67 0.01 0.32 4.16 3.29 92.31 0.18 0.06 0.00 0.00 0.00 42 D C C 72.51 4.93 15.17 21.73 105.31 142.51 -89.07 97.67 99.43 0.13 0.45 98.80 0.60 0.18 0.26 0.04 0.00 0.03 0.09 43 K H H 108.34 10.33 13.21 24.62 94.33 169.65 -65.41 -36.49 4.45 0.01 95.55 1.37 0.72 2.09 94.92 0.89 0.00 0.00 0.00 44 A H H 81.57 1.29 20.91 20.44 92.00 53.03 -64.22 -41.14 2.63 0.00 97.37 0.30 0.26 1.90 96.52 1.02 0.00 0.00 0.00 45 K H H 97.43 4.74 20.49 25.55 92.06 47.03 -66.77 -39.40 1.34 0.00 98.65 0.27 0.11 0.81 97.91 0.90 0.00 0.00 0.00 46 A H H 5.93 20.86 12.80 33.99 91.42 52.35 -63.34 -42.75 0.56 0.00 99.44 0.13 0.05 0.25 99.34 0.23 0.00 0.00 0.00 47 A H H 45.67 8.56 21.55 30.64 91.55 51.72 -63.21 -41.14 0.37 0.00 99.63 0.06 0.02 0.19 99.61 0.12 0.00 0.00 0.00 48 E H H 119.20 1.64 25.81 25.33 91.65 49.86 -64.29 -41.52 0.41 0.00 99.59 0.04 0.01 0.26 99.56 0.12 0.00 0.00 0.00 49 L H H 32.32 14.41 20.80 35.40 91.67 49.40 -64.63 -42.09 0.57 0.00 99.43 0.06 0.02 0.37 99.43 0.12 0.00 0.00 0.00 50 L H H 17.34 21.75 18.42 39.55 91.45 51.37 -62.60 -42.69 0.29 0.00 99.71 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 51 A H H 55.49 4.52 25.07 29.56 91.39 50.44 -63.44 -42.02 0.25 0.00 99.75 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 52 S H H 50.26 3.95 25.21 28.92 91.48 49.67 -64.10 -42.22 0.48 0.00 99.52 0.04 0.02 0.33 99.58 0.04 0.00 0.00 0.00 53 T H H 7.09 21.00 18.48 39.69 91.66 50.03 -63.85 -42.34 0.35 0.00 99.65 0.03 0.02 0.22 99.71 0.03 0.00 0.00 0.00 54 N H H 46.49 15.54 21.50 36.23 91.32 51.67 -62.55 -41.89 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 R H H 141.99 1.79 26.19 26.30 91.42 50.25 -63.91 -41.74 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 56 K H H 75.89 9.65 23.65 33.43 91.63 48.64 -64.89 -41.42 0.19 0.00 99.81 0.01 0.01 0.14 99.82 0.03 0.00 0.00 0.00 57 L H H 6.35 24.21 16.61 40.90 91.44 49.80 -63.56 -42.36 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 58 D H H 67.39 7.13 23.46 30.87 91.31 50.97 -63.13 -41.79 0.33 0.00 99.67 0.03 0.01 0.22 99.68 0.06 0.00 0.00 0.00 59 K H H 112.36 2.31 24.84 25.65 91.72 49.36 -64.62 -41.33 0.66 0.00 99.34 0.04 0.03 0.51 99.30 0.12 0.00 0.00 0.00 60 A H H 9.46 14.89 16.42 32.86 91.95 50.15 -64.55 -41.53 1.08 0.00 98.92 0.12 0.09 0.75 98.79 0.26 0.00 0.00 0.00 61 A H H 26.11 14.41 14.78 29.64 91.93 51.59 -63.89 -41.39 2.73 0.01 97.26 0.30 0.20 2.10 96.33 1.06 0.00 0.00 0.00 62 S H H 89.34 1.30 18.78 19.33 91.03 53.26 -65.60 -30.06 10.56 0.01 89.42 0.28 0.44 10.33 87.93 0.99 0.01 0.01 0.01 63 K C T 124.15 3.58 15.80 20.31 92.74 52.99 -86.01 -2.05 80.66 0.02 19.31 0.28 2.04 78.37 18.21 1.07 0.00 0.00 0.03 64 G C T 52.30 3.65 16.90 21.71 95.34 -110.53 79.42 11.79 99.69 0.01 0.30 0.47 4.79 94.55 0.13 0.06 0.00 0.00 0.00 65 V C S 47.34 12.29 16.10 29.23 95.18 121.20 -78.19 -31.24 99.85 0.11 0.04 3.42 95.56 0.93 0.01 0.01 0.00 0.03 0.04 66 I C S 14.18 21.25 11.60 32.66 131.47 22.37 -134.88 148.24 98.22 1.73 0.05 6.80 91.39 0.41 0.02 0.01 0.00 0.30 1.07 67 H C C 105.15 3.10 21.84 24.04 116.88 -105.59 -72.06 151.07 99.70 0.24 0.06 99.24 0.51 0.03 0.04 0.01 0.00 0.08 0.10 68 K H H 122.36 9.31 13.42 23.89 91.53 -114.01 -58.01 -38.36 12.27 0.03 87.70 1.07 1.27 9.56 80.90 7.15 0.02 0.01 0.02 69 N H H 118.62 1.09 20.62 19.70 91.72 52.85 -64.79 -38.25 9.99 0.02 89.99 0.73 0.78 8.07 82.70 7.69 0.01 0.01 0.01 70 Q H H 73.02 7.21 19.52 27.47 92.37 48.89 -66.98 -39.75 4.48 0.03 95.50 1.05 0.56 2.70 89.47 6.19 0.00 0.01 0.01 71 A H H 5.72 20.73 12.93 34.12 91.78 51.89 -62.97 -42.77 2.14 0.01 97.85 0.58 0.25 1.13 96.75 1.28 0.00 0.00 0.00 72 A H H 51.12 5.54 21.20 27.31 91.70 52.19 -63.36 -41.54 1.14 0.00 98.86 0.28 0.11 0.59 98.59 0.44 0.00 0.00 0.00 73 N H H 97.35 1.91 23.93 24.07 91.99 49.34 -64.72 -41.32 0.87 0.00 99.13 0.18 0.07 0.47 99.03 0.24 0.00 0.00 0.00 74 K H H 69.49 13.37 19.85 32.82 92.23 49.16 -65.87 -40.80 0.60 0.00 99.40 0.10 0.05 0.33 99.38 0.14 0.00 0.00 0.00 75 K H H 61.53 16.59 18.68 34.40 91.52 51.58 -62.32 -42.30 0.61 0.00 99.39 0.11 0.05 0.33 99.42 0.10 0.00 0.00 0.00 76 S H H 61.78 2.71 24.14 25.76 91.53 50.40 -63.71 -41.35 0.82 0.00 99.17 0.14 0.04 0.44 99.29 0.08 0.00 0.00 0.00 77 A H H 46.85 4.85 22.70 27.87 91.58 49.89 -64.26 -41.86 0.67 0.00 99.33 0.10 0.03 0.38 99.41 0.07 0.00 0.00 0.00 78 L H H 18.28 18.89 17.02 36.19 92.07 50.49 -64.36 -42.07 0.45 0.00 99.55 0.08 0.03 0.23 99.58 0.08 0.00 0.00 0.00 79 A H H 36.90 9.17 20.02 30.15 91.69 51.20 -62.95 -42.24 0.35 0.00 99.64 0.06 0.02 0.18 99.65 0.09 0.00 0.00 0.00 80 Q H H 105.48 1.73 22.75 22.44 91.94 49.94 -64.13 -41.51 0.46 0.00 99.54 0.06 0.03 0.28 99.41 0.22 0.00 0.00 0.00 81 A H H 30.36 8.83 16.86 27.48 92.09 50.37 -65.02 -40.19 1.00 0.00 99.00 0.10 0.05 0.68 98.61 0.56 0.00 0.00 0.00 82 L H H 36.50 16.42 12.51 29.07 91.90 52.17 -64.79 -38.38 3.23 0.00 96.77 0.28 0.17 2.47 95.38 1.70 0.00 0.00 0.00 83 N H H 115.25 2.46 15.64 18.97 91.36 53.96 -67.89 -25.87 24.17 0.02 75.82 1.17 0.88 21.54 74.63 1.76 0.00 0.00 0.01 84 K C H 151.49 1.48 14.88 16.22 94.97 55.72 -77.36 -15.63 57.05 0.05 42.90 10.49 0.91 42.88 44.10 1.56 0.00 0.02 0.04 85 L C C 71.74 12.67 11.28 23.79 99.73 77.67 -76.15 -19.46 99.91 0.01 0.09 99.74 0.10 0.09 0.06 0.00 0.00 0.00 0.00