# 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 L C C 78.75 8.86 11.00 20.94 113.26 -139.54 -82.23 138.76 99.94 0.02 0.04 99.82 0.12 0.03 0.02 0.00 0.00 0.01 0.01 1 N C C 96.95 2.76 13.55 16.97 108.61 -121.41 -77.76 126.70 89.23 0.32 10.45 87.28 0.50 1.38 10.27 0.28 0.00 0.07 0.22 2 M H H 100.87 6.17 9.54 17.27 94.56 -145.75 -65.81 -34.52 9.35 0.03 90.62 3.09 1.43 4.60 89.78 1.05 0.00 0.01 0.02 3 K H H 134.63 1.64 13.06 15.03 92.42 54.95 -65.23 -40.16 5.24 0.01 94.75 1.31 0.64 3.07 93.81 1.16 0.00 0.00 0.01 4 Y H H 122.39 1.89 13.84 15.83 92.43 49.81 -65.13 -41.37 2.45 0.01 97.54 0.78 0.32 1.29 96.44 1.16 0.00 0.00 0.00 5 R H H 98.68 5.59 13.28 20.49 92.25 50.28 -64.88 -41.27 1.27 0.01 98.73 0.46 0.14 0.59 98.33 0.48 0.00 0.00 0.00 6 K H H 95.66 5.90 14.43 21.54 92.01 51.22 -64.24 -41.01 1.09 0.00 98.91 0.31 0.10 0.57 98.73 0.29 0.00 0.00 0.00 7 R H H 139.96 1.52 17.47 17.87 91.86 50.07 -64.74 -40.89 0.96 0.00 99.04 0.20 0.07 0.55 98.96 0.21 0.00 0.00 0.00 8 Q H H 93.11 2.92 17.43 20.44 92.02 49.76 -65.13 -40.92 1.21 0.00 98.79 0.20 0.08 0.72 98.81 0.19 0.00 0.00 0.00 9 L H H 49.47 9.79 14.69 25.90 92.08 50.15 -65.06 -41.02 1.21 0.00 98.79 0.25 0.09 0.65 98.82 0.19 0.00 0.00 0.00 10 V H H 75.93 4.23 17.62 22.48 91.69 51.05 -63.83 -41.44 1.01 0.00 98.99 0.29 0.08 0.46 99.07 0.11 0.00 0.00 0.00 11 T H H 79.20 1.69 19.88 19.85 91.81 49.40 -64.81 -41.55 0.83 0.00 99.17 0.24 0.06 0.38 99.24 0.08 0.00 0.00 0.00 12 R H H 98.14 6.43 17.94 25.29 91.94 49.68 -65.02 -41.24 0.48 0.00 99.52 0.10 0.03 0.25 99.56 0.05 0.00 0.00 0.00 13 E H H 59.84 11.47 15.78 28.08 91.79 50.88 -63.67 -41.14 0.24 0.00 99.76 0.04 0.01 0.13 99.78 0.03 0.00 0.00 0.00 14 A H H 56.31 2.42 20.18 21.83 91.39 50.79 -63.42 -41.11 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 15 Q H H 96.07 2.38 20.19 21.63 91.77 50.21 -64.46 -41.13 0.27 0.00 99.73 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 16 I H H 38.31 11.61 15.30 28.34 91.84 49.79 -64.10 -42.26 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 17 K H H 99.15 7.01 18.24 26.09 91.62 51.49 -62.89 -41.31 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 18 D H H 90.78 1.48 20.68 20.05 91.68 50.07 -64.72 -40.90 0.31 0.00 99.69 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 19 W H H 110.75 4.73 18.59 23.99 92.02 49.74 -64.63 -42.04 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 20 V H H 34.08 12.37 14.96 28.45 91.82 49.60 -64.08 -42.13 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 21 E H H 98.44 3.53 19.04 22.85 91.62 50.92 -63.48 -41.48 0.24 0.00 99.76 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 22 N H H 89.75 1.76 20.06 20.15 91.90 49.68 -65.31 -40.82 0.29 0.00 99.71 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 23 E H H 75.27 7.23 17.35 25.64 92.06 50.39 -65.36 -40.94 0.22 0.00 99.78 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 24 L H H 50.27 10.91 15.28 27.24 91.87 50.88 -63.86 -41.47 0.16 0.00 99.84 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 25 E H H 107.35 1.93 19.92 20.62 91.61 50.52 -63.72 -41.21 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 26 A H H 57.80 2.45 18.77 20.71 91.83 50.25 -64.33 -41.28 0.60 0.00 99.40 0.04 0.02 0.41 99.44 0.10 0.00 0.00 0.00 27 L H H 42.90 10.60 14.31 26.37 92.06 50.34 -64.85 -40.58 0.82 0.00 99.18 0.10 0.04 0.50 99.18 0.17 0.00 0.00 0.00 28 K H H 104.66 5.89 16.78 23.74 91.72 52.23 -63.66 -40.45 0.97 0.00 99.03 0.13 0.06 0.61 98.94 0.27 0.00 0.00 0.00 29 L H H 97.46 1.42 18.40 18.00 92.02 50.14 -65.07 -41.39 1.77 0.00 98.23 0.24 0.14 1.20 97.80 0.63 0.00 0.00 0.00 30 E H H 92.58 3.84 16.40 20.97 92.36 49.72 -65.81 -38.19 3.60 0.01 96.39 0.55 0.31 2.44 95.50 1.19 0.00 0.00 0.00 31 A H H 28.72 11.92 10.59 23.61 92.35 53.83 -67.10 -34.07 7.97 0.02 92.01 1.39 0.80 5.36 89.26 3.16 0.00 0.01 0.01 32 E H H 139.96 1.78 14.72 16.97 92.09 56.30 -67.38 -25.45 27.69 0.04 72.27 2.52 1.95 22.73 69.72 3.03 0.01 0.01 0.03 33 E C T 148.16 1.00 14.00 14.15 94.79 55.65 -83.52 -10.70 58.57 0.10 41.33 8.19 5.46 44.27 38.85 3.10 0.01 0.03 0.09 34 I C C 71.61 8.66 7.19 17.08 114.09 88.65 -89.74 128.05 96.62 0.16 3.22 50.45 43.20 2.73 2.85 0.57 0.00 0.04 0.17 35 P C C 101.67 1.95 11.78 14.55 108.44 -118.70 -67.86 136.46 97.94 0.09 1.97 91.30 3.36 3.66 1.02 0.57 0.00 0.04 0.06 36 S C C 80.49 3.32 9.67 14.53 106.94 -114.59 -82.59 65.39 92.34 0.20 7.46 77.05 7.96 7.80 3.41 3.53 0.00 0.08 0.19 37 E C C 144.56 1.65 11.04 13.49 100.55 69.85 -75.60 -24.86 83.36 0.28 16.36 48.99 16.98 17.70 8.93 7.03 0.00 0.11 0.26 38 D C C 87.98 3.47 12.23 16.86 104.01 45.99 -87.86 57.01 84.22 0.27 15.51 65.19 5.22 14.42 9.99 4.87 0.00 0.12 0.20 39 Q H H 84.66 8.49 10.35 20.17 94.90 153.58 -65.18 -36.02 20.09 0.08 79.83 14.32 2.43 3.39 77.88 1.91 0.00 0.03 0.04 40 N H H 108.46 2.23 14.96 17.76 92.72 54.45 -64.64 -39.41 7.96 0.03 92.01 3.41 1.02 3.18 90.59 1.77 0.00 0.01 0.01 41 E H H 109.50 1.75 16.82 17.76 92.35 49.69 -65.84 -40.40 3.92 0.02 96.06 1.58 0.44 1.73 94.48 1.74 0.00 0.01 0.00 42 F H H 70.48 6.83 14.47 23.21 92.25 50.26 -64.29 -41.96 2.18 0.01 97.81 0.95 0.25 0.89 96.67 1.22 0.00 0.01 0.00 43 L H H 49.97 9.91 14.63 25.96 91.91 50.30 -64.35 -41.36 1.70 0.01 98.29 0.62 0.17 0.76 97.91 0.53 0.00 0.00 0.00 44 L H H 88.46 2.78 18.65 21.28 91.86 50.53 -63.88 -41.47 1.20 0.00 98.80 0.35 0.12 0.55 98.74 0.22 0.00 0.00 0.00 45 E H H 100.99 2.40 19.70 21.22 92.00 49.80 -64.98 -41.32 0.83 0.00 99.16 0.22 0.07 0.39 99.18 0.13 0.00 0.00 0.00 46 R H H 88.66 8.44 17.52 26.96 92.25 49.83 -65.34 -40.82 0.74 0.00 99.26 0.17 0.05 0.38 99.28 0.12 0.00 0.00 0.00 47 T H H 41.78 9.89 16.12 27.33 91.96 51.12 -64.11 -41.21 0.52 0.00 99.48 0.10 0.04 0.28 99.48 0.10 0.00 0.00 0.00 48 R H H 137.11 1.95 21.11 21.78 91.91 50.31 -64.48 -41.27 0.32 0.00 99.68 0.05 0.02 0.17 99.69 0.06 0.00 0.00 0.00 49 E H H 93.26 3.43 20.24 23.41 91.89 49.41 -64.53 -41.84 0.36 0.00 99.64 0.05 0.02 0.20 99.67 0.07 0.00 0.00 0.00 50 I H H 40.80 11.68 16.13 29.04 91.87 49.03 -64.32 -42.50 0.24 0.00 99.76 0.03 0.02 0.13 99.76 0.05 0.00 0.00 0.00 51 H H H 91.86 7.66 18.66 27.02 91.73 50.48 -63.34 -41.54 0.19 0.00 99.81 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 52 N H H 92.16 1.91 21.95 22.03 91.95 49.62 -64.78 -41.72 0.25 0.00 99.75 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 53 E H H 89.06 4.37 20.82 25.36 91.94 48.69 -65.20 -41.16 0.27 0.00 99.73 0.03 0.02 0.17 99.73 0.06 0.00 0.00 0.00 54 A H H 16.29 13.93 14.93 30.25 91.71 50.48 -63.80 -41.86 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 55 E H H 99.12 4.37 20.97 25.63 91.66 50.29 -63.66 -41.62 0.29 0.00 99.71 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 56 S H H 59.00 2.11 21.66 22.22 91.63 49.94 -64.24 -41.72 0.26 0.00 99.74 0.03 0.02 0.15 99.75 0.05 0.00 0.00 0.00 57 Q H H 72.09 7.71 18.71 27.33 91.90 49.99 -65.25 -41.04 0.31 0.00 99.69 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 58 L H H 52.89 12.69 16.47 29.59 91.89 50.71 -63.41 -42.10 0.24 0.00 99.76 0.03 0.01 0.13 99.76 0.06 0.00 0.00 0.00 59 R H H 138.29 2.21 21.33 22.73 91.60 49.95 -63.92 -41.63 0.24 0.00 99.76 0.03 0.01 0.14 99.74 0.07 0.00 0.00 0.00 60 A H H 54.55 2.62 20.34 22.31 91.70 49.73 -64.34 -41.80 0.57 0.00 99.42 0.05 0.03 0.39 99.32 0.22 0.00 0.00 0.00 61 A H H 19.97 11.59 14.61 28.00 91.90 50.47 -64.46 -41.56 1.36 0.00 98.64 0.13 0.08 0.96 98.14 0.69 0.00 0.00 0.00 62 Q H H 77.60 7.92 15.77 24.86 91.89 51.69 -64.11 -39.85 3.89 0.01 96.11 0.45 0.28 2.84 94.08 2.34 0.00 0.00 0.00 63 Q H H 122.36 1.58 17.38 18.13 92.58 50.44 -66.66 -37.68 12.85 0.03 87.12 1.10 0.80 10.48 82.37 5.20 0.01 0.01 0.02 64 Q H H 107.94 3.64 15.12 19.59 93.99 51.09 -70.96 -33.46 26.93 0.09 72.98 2.31 2.03 22.47 67.16 5.91 0.03 0.04 0.06 65 W C H 115.33 8.94 11.30 21.17 100.39 43.38 -92.04 -6.13 52.58 0.64 46.78 7.17 8.95 36.60 39.61 6.77 0.13 0.26 0.50 66 G C T 43.38 4.66 12.64 18.57 106.08 -13.54 67.61 2.25 76.22 0.86 22.91 20.19 13.94 42.76 12.69 9.39 0.02 0.35 0.67 67 N C T 106.52 3.95 10.85 16.29 100.49 -11.79 -84.35 14.45 79.93 1.02 19.04 29.64 19.89 31.06 5.81 12.44 0.01 0.43 0.72 68 D C C 103.85 2.91 10.45 14.87 103.42 116.96 -84.16 29.47 83.33 1.47 15.20 42.04 19.70 21.87 3.45 11.42 0.00 0.69 0.85 69 F C C 131.46 5.16 8.24 14.87 102.57 130.53 -83.75 8.28 92.01 1.32 6.67 78.23 2.79 11.86 1.77 3.95 0.00 0.70 0.71 70 Y C C 149.53 4.38 11.33 17.40 110.44 121.32 -92.48 110.65 99.91 0.07 0.02 99.83 0.09 0.03 0.00 0.00 0.00 0.03 0.01