# 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 60.87 8.03 17.80 26.22 111.68 -135.10 -85.73 127.54 99.92 0.05 0.03 99.82 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 I C C 39.09 17.72 9.17 25.82 116.23 -124.21 -93.03 132.44 97.46 0.80 1.73 95.65 1.22 0.62 1.65 0.12 0.00 0.25 0.49 2 T C C 68.94 2.92 15.94 19.18 119.49 -124.85 -79.21 160.95 96.71 0.51 2.79 93.80 2.11 0.67 2.80 0.17 0.00 0.15 0.29 3 Q H H 126.37 3.84 11.79 17.66 91.93 -110.77 -59.11 -38.55 4.35 0.01 95.63 1.38 0.88 1.85 95.37 0.50 0.00 0.00 0.01 4 E H H 134.02 1.08 15.54 15.49 92.10 52.72 -64.84 -40.13 2.46 0.01 97.53 0.57 0.32 1.35 97.20 0.54 0.00 0.00 0.00 5 R H H 95.10 7.45 14.83 23.63 92.18 48.46 -66.23 -39.66 1.22 0.00 98.78 0.40 0.14 0.60 98.32 0.54 0.00 0.00 0.00 6 K H H 48.06 16.31 13.18 29.30 91.40 52.03 -62.59 -42.12 0.52 0.00 99.48 0.14 0.05 0.25 99.41 0.15 0.00 0.00 0.00 7 N H H 81.69 4.22 19.49 24.19 91.57 50.56 -64.37 -40.12 0.48 0.00 99.52 0.08 0.03 0.26 99.54 0.09 0.00 0.00 0.00 8 Q H H 93.61 2.40 21.43 22.63 91.83 50.39 -64.59 -41.36 0.50 0.00 99.50 0.06 0.02 0.31 99.51 0.10 0.00 0.00 0.00 9 L H H 15.89 16.02 16.49 33.49 92.11 49.84 -63.67 -43.21 0.62 0.00 99.38 0.07 0.04 0.40 99.30 0.19 0.00 0.00 0.00 10 I H H 26.72 17.30 15.79 33.23 91.84 50.03 -63.39 -41.46 0.74 0.00 99.26 0.08 0.05 0.52 98.75 0.60 0.00 0.00 0.00 11 N H H 109.35 2.09 20.65 22.37 91.70 51.19 -65.00 -37.07 3.11 0.00 96.89 0.15 0.12 2.77 93.45 3.51 0.00 0.00 0.00 12 E H H 112.43 4.04 19.81 24.18 92.40 50.98 -69.44 -32.74 11.34 0.00 88.65 0.29 0.42 10.90 84.89 3.48 0.01 0.00 0.00 13 F H H 37.29 17.69 13.40 30.89 100.10 40.67 -101.97 -1.24 30.57 0.09 69.34 3.34 3.93 23.32 65.60 3.65 0.05 0.03 0.09 14 K C C 81.62 13.40 13.99 27.57 110.13 110.87 -72.82 123.37 92.75 0.83 6.42 70.61 9.24 12.92 4.01 2.04 0.00 0.27 0.92 15 T C C 85.10 5.64 16.33 23.11 101.31 169.98 -97.22 -14.70 95.53 0.67 3.80 52.07 30.84 12.62 1.38 2.23 0.00 0.22 0.64 16 H C C 96.75 4.29 14.99 20.47 130.32 38.74 -127.92 155.93 96.11 2.05 1.84 52.65 39.95 2.71 0.62 0.98 0.00 0.40 2.68 17 E C T 150.42 2.76 12.87 17.53 92.25 -108.61 -62.31 -28.09 98.83 0.12 1.05 0.95 7.47 90.48 0.09 0.88 0.00 0.06 0.06 18 S C T 88.40 1.69 15.44 17.25 95.10 53.26 -90.50 1.42 99.28 0.11 0.62 2.12 5.75 91.35 0.05 0.62 0.00 0.07 0.04 19 D C C 36.13 15.81 9.77 25.61 108.07 118.07 -77.16 112.51 98.22 1.49 0.29 90.51 6.78 0.61 0.08 0.19 0.00 0.43 1.41 20 T C C 83.77 5.96 18.65 25.49 100.45 169.72 -100.27 -0.30 99.23 0.43 0.34 72.13 7.04 20.03 0.10 0.20 0.00 0.19 0.30 21 G C S 32.15 12.34 17.32 29.40 98.70 53.64 69.17 5.21 99.04 0.57 0.38 29.39 43.91 25.78 0.10 0.27 0.00 0.23 0.32 22 S C C 38.90 8.29 20.81 30.10 116.20 135.64 -76.78 140.05 99.48 0.28 0.24 84.57 14.68 0.13 0.23 0.03 0.00 0.05 0.33 23 P H H 39.72 17.24 17.41 34.48 92.31 -127.95 -59.92 -36.63 1.45 0.00 98.54 0.18 0.18 0.86 98.60 0.17 0.00 0.00 0.00 24 E H H 89.99 11.04 22.32 33.15 91.65 55.50 -63.73 -40.48 0.44 0.00 99.56 0.04 0.02 0.29 99.52 0.12 0.00 0.00 0.00 25 V H H 31.43 13.17 22.11 35.61 92.17 48.99 -65.73 -41.74 0.08 0.00 99.92 0.01 0.00 0.04 99.88 0.07 0.00 0.00 0.00 26 Q H H 35.02 17.91 22.96 39.78 91.86 50.81 -63.97 -42.85 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 27 I H H 16.71 20.20 22.88 42.44 91.49 49.59 -63.75 -43.14 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 28 A H H 26.86 11.47 25.25 37.29 91.57 50.73 -63.76 -42.20 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 29 I H H 40.49 12.93 25.21 38.27 91.74 49.39 -64.55 -42.85 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 30 L H H 14.23 21.18 22.58 42.98 91.94 49.68 -64.18 -42.59 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 31 T H H 30.45 15.49 23.00 37.97 91.98 50.49 -63.98 -42.17 0.19 0.00 99.81 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 32 D H H 63.16 6.29 25.43 32.08 91.72 49.77 -64.47 -41.92 0.18 0.00 99.82 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 33 S H H 27.38 12.84 22.57 35.55 91.94 49.70 -64.75 -41.86 0.34 0.00 99.66 0.04 0.01 0.20 99.72 0.04 0.00 0.00 0.00 34 I H H 12.81 20.83 18.78 39.44 91.74 50.29 -64.06 -42.35 0.37 0.00 99.63 0.03 0.02 0.23 99.67 0.06 0.00 0.00 0.00 35 N H H 75.54 6.62 23.45 30.30 91.60 51.38 -63.79 -40.56 0.70 0.00 99.30 0.06 0.03 0.45 99.38 0.07 0.00 0.00 0.00 36 N H H 74.82 4.57 23.37 27.86 91.82 49.81 -65.44 -40.33 1.36 0.00 98.64 0.11 0.07 0.93 98.77 0.11 0.00 0.00 0.00 37 L H H 16.03 18.14 17.38 35.80 92.11 51.01 -64.98 -41.04 0.76 0.00 99.24 0.07 0.05 0.49 99.27 0.12 0.00 0.00 0.00 38 N H H 49.64 12.01 18.68 31.15 91.61 52.99 -62.98 -41.10 0.56 0.00 99.44 0.06 0.03 0.34 99.42 0.14 0.00 0.00 0.00 39 E H H 105.74 1.93 22.40 22.45 91.81 50.27 -64.42 -41.33 0.75 0.00 99.25 0.07 0.04 0.54 99.05 0.30 0.00 0.00 0.00 40 H H H 56.97 8.10 17.23 26.98 92.06 49.79 -65.56 -40.52 1.04 0.00 98.96 0.07 0.06 0.82 98.44 0.61 0.00 0.00 0.00 41 L H H 27.78 15.60 11.88 27.95 91.98 52.03 -66.10 -36.34 2.15 0.00 97.85 0.15 0.14 1.75 96.81 1.15 0.00 0.00 0.00 42 R H H 156.89 2.33 16.00 18.88 92.67 51.83 -67.56 -34.61 8.50 0.00 91.49 0.31 0.43 7.70 90.55 1.00 0.01 0.00 0.00 43 T H H 99.66 1.36 15.25 15.87 97.50 40.63 -82.26 -30.61 17.41 0.02 82.57 0.64 1.93 14.53 82.13 0.73 0.02 0.00 0.02 44 H C C 88.56 7.31 10.06 18.82 110.20 36.99 -114.10 81.60 87.64 0.30 12.06 51.31 20.65 14.53 11.73 1.36 0.00 0.07 0.35 45 K C T 153.96 2.64 13.09 17.22 98.81 -157.61 -61.56 0.28 96.27 0.15 3.59 15.24 12.53 68.53 1.18 2.33 0.00 0.07 0.11 46 K C T 142.78 3.37 13.38 17.69 99.33 45.30 -83.78 38.42 96.65 0.16 3.20 12.85 16.87 66.97 0.89 2.24 0.00 0.07 0.12 47 D C C 54.20 9.16 10.22 21.00 107.29 114.22 -90.71 105.49 95.03 0.24 4.73 88.82 4.87 1.97 2.78 1.24 0.00 0.07 0.25 48 H H H 127.48 3.10 14.62 19.10 94.64 -172.52 -67.22 -33.33 24.44 0.11 75.45 8.87 4.35 11.59 68.46 6.61 0.01 0.04 0.07 49 H H H 119.77 2.46 17.14 19.45 92.66 54.23 -66.12 -39.39 15.66 0.05 84.30 2.98 1.98 10.27 78.25 6.46 0.01 0.02 0.03 50 S H H 24.17 11.92 13.60 26.88 92.13 51.03 -65.84 -39.66 9.10 0.05 90.85 3.16 1.20 4.45 85.00 6.13 0.00 0.03 0.02 51 R H H 101.61 9.89 17.12 27.44 91.94 52.61 -63.74 -40.65 4.10 0.03 95.88 1.66 0.62 1.77 94.08 1.85 0.00 0.01 0.01 52 R H H 134.93 1.97 21.95 22.48 91.87 50.59 -64.36 -41.66 1.22 0.00 98.77 0.28 0.14 0.64 98.58 0.37 0.00 0.00 0.00 53 G H H 20.55 7.74 18.80 28.05 91.85 50.91 -63.82 -41.94 0.97 0.00 99.03 0.18 0.08 0.55 98.89 0.29 0.00 0.00 0.00 54 L H H 25.36 17.66 15.95 33.63 92.15 50.43 -64.10 -41.65 0.44 0.00 99.56 0.07 0.03 0.25 99.47 0.18 0.00 0.00 0.00 55 L H H 88.63 5.19 21.32 26.92 91.50 50.91 -64.13 -40.84 0.26 0.00 99.74 0.03 0.02 0.15 99.69 0.11 0.00 0.00 0.00 56 K H H 122.80 2.22 22.82 23.77 91.97 49.55 -65.06 -41.05 0.45 0.00 99.55 0.04 0.02 0.31 99.52 0.11 0.00 0.00 0.00 57 M H H 31.83 14.72 18.04 33.27 92.00 49.13 -65.38 -41.94 0.72 0.00 99.28 0.06 0.03 0.51 99.26 0.12 0.00 0.00 0.00 58 V H H 31.90 14.78 18.31 33.42 91.61 50.82 -63.74 -42.39 0.44 0.00 99.56 0.05 0.02 0.28 99.57 0.08 0.00 0.00 0.00 59 G H H 33.95 2.86 22.44 24.59 91.36 51.12 -62.97 -42.53 0.67 0.00 99.32 0.07 0.03 0.44 99.37 0.08 0.00 0.00 0.00 60 K H H 95.34 5.71 22.06 28.04 91.64 49.30 -64.92 -41.09 0.47 0.00 99.53 0.05 0.03 0.30 99.55 0.07 0.00 0.00 0.00 61 R H H 36.81 19.00 17.16 35.55 91.86 50.80 -63.87 -41.49 0.23 0.00 99.77 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 62 R H H 114.78 8.13 21.32 29.92 91.32 51.64 -62.75 -41.16 0.13 0.00 99.87 0.01 0.01 0.09 99.86 0.04 0.00 0.00 0.00 63 N H H 89.58 2.27 24.12 24.87 91.59 49.98 -64.31 -41.50 0.19 0.00 99.81 0.01 0.00 0.13 99.80 0.05 0.00 0.00 0.00 64 L H H 24.89 15.00 19.85 35.32 91.67 49.92 -64.26 -42.82 0.23 0.00 99.77 0.01 0.01 0.16 99.74 0.07 0.00 0.00 0.00 65 L H H 17.14 19.01 17.68 36.73 91.45 50.90 -63.06 -41.64 0.32 0.00 99.68 0.03 0.01 0.20 99.63 0.12 0.00 0.00 0.00 66 T H H 68.33 3.34 23.10 25.79 91.45 50.98 -63.50 -41.64 0.80 0.00 99.20 0.06 0.04 0.59 98.92 0.38 0.00 0.00 0.00 67 Y H H 86.36 5.32 20.75 26.88 91.64 50.15 -64.05 -42.03 1.42 0.00 98.58 0.10 0.09 1.12 97.88 0.81 0.00 0.00 0.00 68 L H H 11.10 19.00 13.93 33.49 92.05 50.25 -65.37 -41.35 2.75 0.00 97.25 0.27 0.22 2.04 95.74 1.72 0.00 0.00 0.00 69 R H H 103.51 11.12 15.58 27.10 91.64 54.36 -64.51 -34.79 11.96 0.02 88.03 0.71 0.65 10.35 86.11 2.15 0.01 0.01 0.01 70 N H H 124.37 1.15 18.07 17.83 93.26 50.79 -76.41 -19.49 31.11 0.03 68.86 1.35 1.87 27.09 67.98 1.67 0.01 0.01 0.02 71 K C H 113.95 5.59 14.65 21.32 102.66 46.81 -91.90 -23.28 64.40 0.20 35.40 6.02 25.28 30.04 37.15 1.25 0.01 0.04 0.20 72 D C C 72.58 6.22 15.78 23.05 111.64 0.10 -128.30 97.39 97.41 0.26 2.33 92.67 2.43 2.20 2.18 0.23 0.00 0.07 0.22 73 V H H 63.79 12.02 11.90 24.76 94.23 -165.26 -63.27 -35.96 2.22 0.00 97.78 0.64 0.26 1.01 97.80 0.29 0.00 0.00 0.00 74 T H H 92.34 1.50 19.45 19.57 91.69 53.55 -63.66 -41.32 0.88 0.00 99.12 0.09 0.06 0.61 98.94 0.29 0.00 0.00 0.00 75 R H H 95.62 6.22 18.45 25.63 91.89 49.02 -65.38 -40.86 0.30 0.00 99.70 0.04 0.02 0.19 99.50 0.25 0.00 0.00 0.00 76 Y H H 14.68 21.14 13.48 34.64 91.67 50.92 -62.96 -43.20 0.10 0.00 99.90 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 77 R H H 109.49 7.32 20.26 28.27 91.21 51.17 -62.94 -41.35 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 78 E H H 100.79 2.15 22.62 23.10 91.56 49.97 -63.84 -42.21 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 79 L H H 16.66 15.59 17.46 34.13 91.83 49.39 -64.20 -43.05 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 80 I H H 16.29 18.46 14.86 33.72 91.80 49.62 -63.54 -42.99 0.39 0.00 99.61 0.04 0.02 0.25 99.56 0.14 0.00 0.00 0.00 81 N H H 109.33 2.01 19.03 20.82 91.72 48.96 -64.19 -40.20 1.15 0.00 98.85 0.08 0.05 0.89 98.50 0.47 0.00 0.00 0.00 82 K H H 129.25 3.09 17.70 21.30 91.46 51.46 -66.08 -34.06 5.53 0.00 94.47 0.16 0.19 5.20 93.83 0.61 0.00 0.00 0.00 83 L H H 34.91 16.26 12.33 28.83 93.84 48.36 -87.15 -6.97 48.67 0.04 51.30 0.66 1.82 45.50 50.70 1.27 0.01 0.01 0.04 84 G C T 50.40 2.55 20.18 22.46 96.78 -114.50 75.80 20.84 98.34 0.05 1.61 6.16 3.39 89.04 1.06 0.31 0.00 0.02 0.02 85 L C C 39.11 17.53 9.05 25.57 109.47 140.10 -90.90 113.61 95.63 0.77 3.60 79.85 8.64 7.34 1.68 1.64 0.00 0.35 0.50 86 R C C 149.10 3.93 14.57 20.06 117.06 -161.74 -99.48 139.74 95.09 1.95 2.96 88.00 2.13 5.52 1.32 1.04 0.00 0.92 1.08 87 R C C 154.00 5.56 13.97 21.34 110.04 -116.66 -77.98 129.92 99.96 0.03 0.00 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00