# 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 119.61 4.05 10.90 16.51 113.71 -139.08 -88.18 132.54 99.85 0.05 0.09 99.67 0.12 0.13 0.04 0.01 0.00 0.02 0.01 1 A C C 76.60 3.11 8.87 13.67 107.38 -124.57 -77.95 112.80 84.21 0.73 15.06 72.65 2.11 10.90 7.26 6.22 0.00 0.36 0.49 2 G C C 54.45 2.10 9.40 12.68 104.20 36.39 -61.83 -26.36 72.53 0.86 26.60 35.00 16.30 21.34 8.61 17.74 0.00 0.36 0.65 3 Q C T 136.15 1.83 8.89 11.96 100.57 52.97 -80.08 -11.01 67.22 0.65 32.13 25.06 17.05 25.44 10.84 20.81 0.01 0.27 0.53 4 E C C 136.53 2.17 9.81 13.28 101.78 70.00 -82.96 -4.45 68.13 0.64 31.23 29.70 16.64 22.04 12.47 18.34 0.00 0.24 0.55 5 D C C 75.07 3.91 9.48 15.29 112.15 108.65 -84.41 130.75 83.74 0.24 16.02 62.20 17.89 2.36 16.30 1.02 0.00 0.06 0.17 6 P H H 96.99 1.90 10.98 13.90 93.11 -136.59 -61.20 -34.73 14.65 0.07 85.27 7.03 2.34 5.27 83.81 1.48 0.00 0.03 0.04 7 V H H 98.43 1.34 12.01 13.29 92.55 52.76 -65.61 -39.92 7.15 0.04 92.81 2.65 0.97 3.32 91.76 1.26 0.00 0.02 0.02 8 Q H H 92.35 2.65 11.93 15.76 92.44 50.28 -65.92 -39.71 3.42 0.02 96.56 1.65 0.41 1.32 95.53 1.07 0.00 0.01 0.01 9 R H H 132.43 2.21 13.16 16.02 92.06 51.37 -64.68 -40.79 1.14 0.01 98.85 0.49 0.14 0.44 98.61 0.32 0.00 0.00 0.00 10 E H H 112.12 1.51 14.36 15.43 91.74 50.22 -64.73 -41.35 0.81 0.00 99.18 0.26 0.08 0.38 99.11 0.17 0.00 0.00 0.00 11 I H H 96.84 1.77 14.40 15.99 91.99 49.39 -64.69 -41.68 0.69 0.00 99.31 0.19 0.06 0.34 99.29 0.12 0.00 0.00 0.00 12 H H H 112.05 1.97 14.54 16.64 91.93 50.22 -64.72 -41.01 0.48 0.00 99.52 0.11 0.04 0.24 99.54 0.08 0.00 0.00 0.00 13 Q H H 102.19 1.79 15.12 16.63 91.75 50.30 -64.59 -41.07 0.49 0.00 99.50 0.08 0.03 0.27 99.52 0.09 0.00 0.00 0.00 14 D H H 80.82 1.85 14.93 16.59 91.81 49.90 -64.64 -41.14 0.72 0.00 99.28 0.10 0.04 0.44 99.28 0.13 0.00 0.00 0.00 15 W H H 139.56 1.93 15.04 16.80 91.93 49.80 -65.02 -40.91 1.03 0.00 98.97 0.14 0.07 0.66 98.92 0.21 0.00 0.00 0.00 16 A H H 57.76 2.18 15.04 17.42 91.63 50.82 -64.28 -40.83 1.87 0.00 98.13 0.18 0.10 1.32 98.20 0.20 0.00 0.00 0.00 17 N H H 88.44 1.83 15.11 16.73 91.82 50.26 -65.01 -39.85 3.32 0.00 96.67 0.43 0.22 2.20 96.91 0.23 0.00 0.00 0.00 18 R H H 133.29 1.71 14.95 16.34 91.92 51.67 -64.71 -40.53 0.82 0.00 99.18 0.14 0.06 0.45 99.19 0.16 0.00 0.00 0.00 19 E H H 105.36 2.01 14.93 16.82 91.90 51.10 -64.65 -41.05 0.46 0.00 99.54 0.07 0.03 0.26 99.53 0.11 0.00 0.00 0.00 20 Y H H 134.79 1.67 15.01 16.32 91.89 50.27 -64.80 -41.11 0.37 0.00 99.63 0.06 0.02 0.21 99.61 0.10 0.00 0.00 0.00 21 I H H 95.78 1.86 14.87 16.59 91.79 49.96 -64.66 -41.37 0.24 0.00 99.76 0.04 0.01 0.13 99.76 0.06 0.00 0.00 0.00 22 E H H 112.62 1.76 15.24 16.68 91.93 50.58 -64.63 -40.92 0.31 0.00 99.69 0.04 0.02 0.18 99.71 0.06 0.00 0.00 0.00 23 I H H 98.81 1.80 15.38 16.79 92.06 49.40 -64.81 -41.98 0.37 0.00 99.62 0.05 0.02 0.22 99.64 0.06 0.00 0.00 0.00 24 I H H 95.23 1.92 15.40 17.09 91.86 49.04 -64.58 -41.96 0.44 0.00 99.56 0.07 0.03 0.24 99.57 0.08 0.00 0.00 0.00 25 T H H 72.81 2.07 15.48 17.52 91.76 50.01 -64.24 -41.42 0.90 0.00 99.09 0.13 0.05 0.56 99.12 0.14 0.00 0.00 0.00 26 S H H 57.14 2.09 15.27 17.38 91.72 50.39 -64.11 -41.01 1.96 0.00 98.04 0.21 0.13 1.37 98.06 0.23 0.00 0.00 0.00 27 S H H 60.29 2.04 15.25 17.24 91.84 50.55 -64.53 -40.41 2.45 0.00 97.55 0.26 0.17 1.73 97.61 0.22 0.00 0.00 0.00 28 I H H 99.16 1.74 15.06 16.46 91.84 50.28 -64.69 -41.17 0.87 0.00 99.13 0.18 0.08 0.46 99.16 0.12 0.00 0.00 0.00 29 K H H 123.69 1.60 15.05 16.30 91.71 50.76 -64.81 -40.50 0.48 0.00 99.52 0.10 0.03 0.25 99.53 0.09 0.00 0.00 0.00 30 K H H 124.72 1.60 15.18 16.37 91.91 50.43 -64.79 -41.45 0.47 0.00 99.53 0.08 0.03 0.26 99.51 0.11 0.00 0.00 0.00 31 I H H 98.75 1.65 15.24 16.35 91.83 49.38 -64.40 -41.64 0.53 0.00 99.47 0.10 0.04 0.30 99.43 0.13 0.00 0.00 0.00 32 A H H 57.56 2.03 14.66 16.85 91.58 50.15 -63.88 -41.16 0.80 0.00 99.20 0.13 0.05 0.47 99.16 0.18 0.00 0.00 0.00 33 D H H 85.39 1.75 14.83 16.32 91.77 50.12 -64.91 -40.67 1.72 0.00 98.27 0.21 0.11 1.19 98.12 0.36 0.00 0.00 0.00 34 F H H 121.33 1.65 14.56 15.90 91.98 50.05 -64.48 -41.24 1.88 0.01 98.12 0.24 0.15 1.30 97.58 0.72 0.00 0.00 0.00 35 L H H 100.40 1.73 14.34 15.92 91.71 49.84 -64.93 -40.16 2.17 0.01 97.83 0.32 0.19 1.44 97.05 0.98 0.00 0.00 0.00 36 N H H 94.98 1.74 14.23 15.86 91.99 50.70 -65.82 -38.58 7.93 0.01 92.06 0.74 0.59 6.12 91.16 1.37 0.01 0.00 0.01 37 S H H 67.90 1.71 14.29 15.72 92.69 51.10 -66.92 -37.93 20.57 0.05 79.38 2.60 1.85 15.43 77.90 2.16 0.02 0.02 0.03 38 F H H 116.24 2.36 13.32 16.21 93.63 52.60 -67.33 -39.04 19.57 0.16 80.27 7.92 3.30 8.80 76.57 3.24 0.01 0.07 0.10 39 D H H 88.04 2.19 13.95 16.51 93.98 54.38 -65.39 -41.02 12.40 0.09 87.51 6.06 1.59 4.96 84.71 2.59 0.00 0.04 0.04 40 M H H 115.41 1.40 15.07 15.64 92.62 49.94 -65.47 -40.72 7.30 0.04 92.66 1.95 1.00 4.17 90.05 2.78 0.01 0.02 0.02 41 S H H 65.18 1.60 15.10 16.09 92.27 49.52 -65.32 -40.24 9.52 0.06 90.43 2.35 1.16 5.75 88.39 2.29 0.01 0.03 0.02 42 C H H 62.14 3.32 13.23 17.80 92.71 50.42 -65.56 -39.80 7.05 0.04 92.91 2.07 0.98 3.74 91.85 1.31 0.00 0.02 0.02 43 R H H 141.68 1.89 14.84 16.87 91.79 52.20 -64.31 -41.10 2.06 0.01 97.93 0.71 0.27 0.88 97.74 0.39 0.00 0.00 0.00 44 S H H 67.16 1.41 15.86 16.22 92.10 49.97 -64.74 -40.88 1.43 0.01 98.56 0.42 0.14 0.70 98.39 0.34 0.00 0.00 0.00 45 R H H 137.85 1.72 15.38 16.76 92.03 49.59 -65.16 -41.06 1.17 0.00 98.82 0.26 0.11 0.64 98.69 0.29 0.00 0.00 0.00 46 L H H 90.71 2.53 14.55 17.56 91.98 50.01 -64.74 -40.96 0.80 0.00 99.20 0.15 0.07 0.45 99.14 0.19 0.00 0.00 0.00 47 A H H 58.29 1.87 15.26 16.95 91.50 51.06 -63.69 -41.05 0.72 0.00 99.28 0.14 0.06 0.37 99.30 0.13 0.00 0.00 0.00 48 T H H 77.97 1.61 15.76 16.63 92.01 49.91 -64.87 -40.88 0.90 0.00 99.10 0.14 0.06 0.54 99.12 0.14 0.00 0.00 0.00 49 L H H 88.42 2.31 14.56 17.20 91.77 50.32 -64.27 -40.80 0.58 0.00 99.42 0.09 0.04 0.33 99.43 0.11 0.00 0.00 0.00 50 N H H 90.37 1.95 14.85 16.83 91.66 50.59 -64.28 -40.48 0.66 0.00 99.34 0.11 0.04 0.37 99.38 0.10 0.00 0.00 0.00 51 E H H 117.04 1.41 15.48 16.08 91.91 50.62 -65.10 -40.49 0.61 0.00 99.39 0.08 0.04 0.36 99.42 0.10 0.00 0.00 0.00 52 K H H 124.01 1.62 15.20 16.43 91.98 50.33 -65.09 -40.83 0.52 0.00 99.47 0.07 0.03 0.31 99.47 0.11 0.00 0.00 0.00 53 L H H 93.86 1.97 14.71 16.72 91.91 50.01 -64.53 -40.83 0.63 0.00 99.37 0.10 0.04 0.37 99.37 0.12 0.00 0.00 0.00 54 T H H 75.72 1.78 15.47 16.85 91.83 50.15 -64.50 -40.86 0.85 0.00 99.14 0.15 0.06 0.49 99.19 0.11 0.00 0.00 0.00 55 A H H 55.06 2.02 14.97 17.07 91.72 50.87 -63.58 -41.11 0.75 0.00 99.25 0.12 0.05 0.43 99.28 0.11 0.00 0.00 0.00 56 L H H 90.38 1.92 14.86 16.69 91.86 49.99 -64.28 -40.83 0.89 0.00 99.11 0.15 0.06 0.54 99.06 0.19 0.00 0.00 0.00 57 E H H 105.07 1.87 14.75 16.58 91.79 50.67 -64.21 -40.40 1.60 0.00 98.40 0.22 0.10 1.07 98.30 0.30 0.00 0.00 0.00 58 R H H 139.15 1.47 14.74 15.70 91.90 50.51 -65.20 -39.57 3.37 0.00 96.63 0.27 0.16 2.65 96.53 0.39 0.00 0.00 0.00 59 R H H 139.18 1.56 14.59 15.83 91.86 51.34 -64.79 -40.58 1.95 0.00 98.05 0.31 0.16 1.26 97.96 0.31 0.00 0.00 0.00 60 I H H 95.99 1.78 13.88 15.70 91.73 50.52 -64.36 -41.05 0.55 0.00 99.45 0.13 0.04 0.27 99.40 0.16 0.00 0.00 0.00 61 E H H 112.98 1.63 14.17 15.61 91.83 50.84 -64.44 -40.63 0.51 0.00 99.49 0.10 0.03 0.26 99.42 0.18 0.00 0.00 0.00 62 Y H H 135.15 1.52 13.56 14.87 92.22 50.38 -65.01 -41.00 0.69 0.00 99.31 0.12 0.05 0.41 99.13 0.30 0.00 0.00 0.00 63 I H H 101.47 1.58 12.91 14.51 92.26 49.92 -65.14 -40.93 1.02 0.00 98.98 0.18 0.08 0.62 98.69 0.42 0.00 0.00 0.00 64 E H H 118.93 1.66 12.23 14.20 92.36 51.64 -65.65 -37.24 3.27 0.01 96.72 0.43 0.24 2.31 96.16 0.84 0.00 0.00 0.00 65 A H H 71.67 1.81 11.09 13.57 93.08 53.51 -68.11 -31.60 16.42 0.02 83.56 1.14 0.89 13.77 82.60 1.56 0.01 0.01 0.01 66 R H H 166.37 1.34 11.14 12.87 95.91 56.35 -77.33 -20.58 33.71 0.21 66.08 5.19 3.60 24.44 63.93 2.60 0.03 0.09 0.12 67 V C H 107.10 2.16 9.21 12.63 102.54 65.82 -84.03 -3.04 51.74 3.47 44.79 30.59 10.58 11.24 41.84 2.70 0.04 1.63 1.37 68 T C C 94.60 2.57 8.83 12.98 108.42 81.41 -89.37 96.98 67.53 4.24 28.23 49.04 7.05 9.37 27.99 2.66 0.01 2.56 1.33 69 K C C 153.66 1.77 9.19 12.31 107.33 -146.97 -88.45 84.60 70.68 3.17 26.15 46.45 10.18 12.84 23.56 3.99 0.01 1.85 1.12 70 G C C 54.99 2.24 8.84 12.55 105.47 46.84 -63.47 -9.80 71.17 1.50 27.33 39.82 15.35 16.21 17.80 9.36 0.01 0.76 0.71 71 E C C 145.26 1.60 8.53 11.39 104.14 62.35 -87.21 30.73 70.02 1.68 28.30 40.50 14.21 15.55 15.47 12.61 0.01 0.87 0.79 72 T C C 104.80 1.92 7.47 10.94 106.77 68.48 -88.30 62.98 71.23 2.64 26.13 42.30 12.15 17.10 13.77 12.04 0.01 1.46 1.17 73 L C C 131.76 1.75 7.06 10.36 104.63 76.95 -87.41 25.71 82.29 2.22 15.49 68.87 3.49 11.02 9.15 5.06 0.00 1.28 1.12 74 T C C 105.88 2.04 9.85 13.31 108.88 86.17 -93.02 94.93 99.92 0.05 0.03 99.85 0.06 0.04 0.01 0.00 0.00 0.02 0.01