# 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 112.53 5.89 12.04 19.47 115.87 -155.00 -95.47 131.56 99.94 0.05 0.01 99.88 0.07 0.02 0.00 0.00 0.00 0.02 0.01 1 A C C 75.20 4.50 9.40 15.67 112.78 -125.73 -81.36 137.06 97.03 1.77 1.20 93.59 1.35 2.36 0.54 0.38 0.00 0.76 1.01 2 T C C 90.51 3.73 9.37 15.00 115.84 -129.20 -94.97 136.98 96.76 1.36 1.88 70.53 21.46 4.76 0.68 1.11 0.00 0.64 0.80 3 P C C 104.84 2.62 11.62 15.61 104.14 -121.37 -74.30 48.79 94.48 0.72 4.80 51.65 21.06 21.96 1.39 3.17 0.00 0.33 0.44 4 W C C 133.68 8.15 8.88 18.02 108.86 70.41 -92.71 92.21 88.40 0.81 10.79 51.44 14.50 22.79 4.79 5.49 0.00 0.33 0.67 5 S C T 75.62 3.50 12.37 17.28 107.43 142.12 -94.17 66.71 80.20 0.62 19.19 27.42 20.14 33.75 12.81 5.15 0.00 0.23 0.50 6 G C T 39.21 4.72 13.55 19.33 109.26 29.23 77.15 -69.11 70.68 0.61 28.71 23.05 20.71 27.72 23.89 3.93 0.02 0.20 0.49 7 Y H H 130.70 4.15 13.94 19.12 94.76 32.91 -66.32 -39.47 12.15 0.13 87.72 4.97 3.25 4.82 85.21 1.59 0.02 0.05 0.08 8 L H H 75.59 8.43 13.43 22.96 93.09 51.23 -66.01 -39.91 4.76 0.04 95.21 1.25 0.77 2.75 94.09 1.09 0.01 0.02 0.01 9 D H H 76.68 4.86 15.37 21.29 92.46 51.02 -65.59 -39.73 2.28 0.02 97.70 0.75 0.31 1.16 96.98 0.80 0.00 0.01 0.00 10 D H H 85.33 2.48 17.92 20.08 92.55 50.07 -65.87 -41.03 1.25 0.01 98.74 0.40 0.16 0.60 98.40 0.43 0.00 0.00 0.00 11 V H H 54.75 7.18 16.84 25.35 92.13 49.56 -65.12 -41.76 1.01 0.00 98.99 0.21 0.10 0.57 98.85 0.27 0.00 0.00 0.00 12 S H H 32.86 10.07 15.61 27.09 91.90 51.37 -63.92 -40.77 0.93 0.00 99.07 0.15 0.07 0.55 99.00 0.23 0.00 0.00 0.00 13 A H H 55.80 3.49 19.19 22.83 91.74 51.56 -63.86 -40.62 1.19 0.00 98.81 0.15 0.09 0.79 98.63 0.34 0.00 0.00 0.00 14 K H H 118.01 2.81 20.07 22.58 92.12 50.34 -65.32 -40.42 1.96 0.00 98.04 0.18 0.13 1.47 97.84 0.38 0.00 0.00 0.00 15 F H H 62.18 12.05 16.19 28.90 92.56 49.66 -65.91 -40.86 2.54 0.00 97.45 0.34 0.26 1.71 97.33 0.36 0.00 0.00 0.00 16 D H H 66.64 8.38 18.34 27.40 92.01 52.81 -64.05 -41.17 2.31 0.01 97.68 0.67 0.26 1.07 97.75 0.24 0.00 0.00 0.00 17 T H H 80.34 1.95 21.83 22.00 92.18 49.90 -64.94 -41.34 1.60 0.00 98.39 0.25 0.14 0.98 98.38 0.23 0.00 0.00 0.00 18 G H H 24.62 6.44 19.03 26.72 92.38 49.82 -64.09 -41.68 2.25 0.01 97.74 0.35 0.19 1.46 97.70 0.29 0.00 0.00 0.00 19 V H H 26.36 14.77 15.58 31.05 92.13 49.82 -64.92 -41.28 1.42 0.00 98.58 0.28 0.14 0.80 98.57 0.21 0.00 0.00 0.00 20 D H H 81.52 3.78 21.12 25.00 91.80 51.35 -63.90 -41.30 0.89 0.00 99.10 0.19 0.08 0.47 99.13 0.14 0.00 0.00 0.00 21 N H H 96.50 1.85 22.39 22.39 91.83 49.08 -65.05 -40.71 1.32 0.00 98.68 0.20 0.09 0.80 98.74 0.17 0.00 0.00 0.00 22 L H H 36.02 12.74 16.77 30.48 91.86 50.17 -64.73 -41.57 0.92 0.00 99.08 0.15 0.06 0.52 99.11 0.16 0.00 0.00 0.00 23 Q H H 72.62 11.29 18.00 29.58 91.31 52.51 -62.84 -40.83 0.91 0.00 99.09 0.15 0.06 0.50 99.16 0.13 0.00 0.00 0.00 24 T H H 79.95 1.72 22.34 21.88 91.62 50.34 -64.62 -41.30 1.19 0.00 98.80 0.16 0.07 0.76 98.87 0.14 0.00 0.00 0.00 25 Q H H 85.30 4.93 20.57 25.85 91.82 49.58 -65.09 -41.27 0.95 0.00 99.05 0.14 0.07 0.59 99.10 0.10 0.00 0.00 0.00 26 V H H 21.17 16.84 15.04 32.28 91.90 50.11 -64.58 -41.82 0.35 0.00 99.65 0.07 0.03 0.17 99.68 0.05 0.00 0.00 0.00 27 T H H 68.64 4.74 21.07 26.11 91.43 50.82 -63.36 -41.67 0.20 0.00 99.80 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 28 E H H 110.06 1.67 22.94 22.26 91.70 49.59 -64.56 -41.95 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 29 A H H 18.25 11.58 16.56 29.96 91.65 50.39 -63.98 -42.03 0.26 0.00 99.74 0.02 0.01 0.14 99.77 0.05 0.00 0.00 0.00 30 L H H 48.99 12.85 16.65 30.01 91.75 51.08 -63.55 -41.27 0.39 0.00 99.61 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 31 D H H 91.05 1.63 21.32 21.03 91.66 50.50 -64.15 -41.02 0.75 0.00 99.25 0.08 0.04 0.46 99.32 0.10 0.00 0.00 0.00 32 K H H 106.35 2.93 18.71 21.60 92.10 49.33 -65.53 -39.74 1.40 0.00 98.60 0.12 0.09 1.01 98.48 0.30 0.00 0.00 0.00 33 L H H 31.89 14.60 11.31 26.45 92.18 50.89 -66.57 -36.84 2.50 0.00 97.50 0.26 0.20 1.86 96.80 0.87 0.00 0.00 0.00 34 A H H 71.04 4.55 14.78 20.70 92.00 55.11 -66.92 -30.45 8.61 0.01 91.39 0.35 0.53 7.55 90.65 0.91 0.01 0.00 0.00 35 A H H 89.40 0.87 15.51 14.71 94.14 51.29 -77.46 -26.07 24.51 0.03 75.47 0.81 2.97 19.96 75.44 0.77 0.02 0.00 0.02 36 K C C 108.96 3.70 13.32 18.48 112.37 18.11 -134.67 80.11 99.64 0.09 0.28 75.31 23.27 1.03 0.18 0.08 0.00 0.02 0.11 37 P C T 72.49 10.46 8.97 20.45 95.76 173.90 -64.65 -20.34 99.65 0.04 0.31 15.74 4.90 79.01 0.04 0.27 0.00 0.02 0.02 38 S C T 92.50 1.37 14.79 16.08 95.02 60.14 -89.07 -1.26 99.67 0.06 0.27 9.00 8.46 82.17 0.03 0.29 0.00 0.03 0.02 39 D C C 65.19 6.01 11.29 19.58 109.04 113.09 -86.43 112.33 99.81 0.07 0.12 89.46 10.24 0.09 0.09 0.02 0.00 0.01 0.08 40 P H H 98.53 2.95 12.45 17.35 92.88 -157.65 -61.67 -33.75 5.77 0.00 94.22 0.57 0.53 4.36 93.46 1.08 0.00 0.00 0.00 41 A H H 76.20 1.48 16.63 17.37 91.73 55.82 -64.28 -39.40 2.47 0.00 97.52 0.20 0.16 1.99 96.68 0.98 0.00 0.00 0.00 42 L H H 42.59 10.18 13.71 25.54 92.01 49.69 -65.51 -40.84 0.71 0.00 99.29 0.12 0.05 0.43 98.56 0.83 0.00 0.00 0.00 43 L H H 55.45 10.31 14.77 26.34 91.52 51.44 -63.05 -41.92 0.34 0.00 99.66 0.07 0.02 0.18 99.50 0.23 0.00 0.00 0.00 44 A H H 58.68 2.00 20.52 21.14 91.34 50.11 -63.06 -41.72 0.30 0.00 99.70 0.06 0.02 0.16 99.69 0.07 0.00 0.00 0.00 45 A H H 51.46 4.30 20.18 24.90 91.60 50.17 -64.21 -41.39 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 46 Y H H 39.57 16.11 15.13 31.59 91.44 50.60 -63.53 -42.22 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.02 0.00 0.00 0.00 47 Q H H 95.44 4.84 20.45 25.90 91.41 50.84 -63.35 -41.11 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.02 0.00 0.00 0.00 48 S H H 62.09 2.00 21.77 22.08 91.67 50.15 -64.11 -41.78 0.27 0.00 99.73 0.03 0.01 0.17 99.77 0.02 0.00 0.00 0.00 49 K H H 63.82 10.69 17.97 29.46 91.71 49.66 -65.24 -41.13 0.45 0.00 99.55 0.03 0.02 0.31 99.60 0.04 0.00 0.00 0.00 50 L H H 49.73 13.06 16.63 30.15 91.53 51.41 -63.68 -40.90 0.50 0.00 99.50 0.06 0.03 0.32 99.53 0.05 0.00 0.00 0.00 51 S H H 62.48 2.08 21.58 22.14 91.57 50.74 -63.76 -40.90 0.32 0.00 99.68 0.07 0.02 0.17 99.71 0.04 0.00 0.00 0.00 52 E H H 94.58 3.90 20.39 24.41 91.82 49.89 -64.89 -40.87 0.29 0.00 99.71 0.03 0.01 0.19 99.73 0.04 0.00 0.00 0.00 53 Y H H 42.98 15.05 15.10 30.74 91.67 50.10 -64.36 -41.45 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 54 N H H 77.42 5.28 19.63 25.54 91.63 51.66 -63.47 -40.93 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 55 L H H 97.64 1.78 21.25 21.17 91.72 49.87 -64.19 -41.82 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 56 Y H H 76.40 9.65 17.56 28.20 91.89 49.30 -64.93 -41.61 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 57 R H H 87.12 11.64 17.12 29.08 91.54 51.17 -63.41 -41.66 0.39 0.00 99.61 0.05 0.02 0.25 99.63 0.05 0.00 0.00 0.00 58 N H H 94.79 2.12 21.39 22.27 91.69 50.09 -64.31 -40.87 0.82 0.00 99.18 0.10 0.05 0.52 99.22 0.10 0.00 0.00 0.00 59 A H H 49.62 4.25 19.48 24.20 91.69 49.95 -64.47 -41.69 0.88 0.00 99.12 0.12 0.07 0.54 99.13 0.13 0.00 0.00 0.00 60 Q H H 57.59 11.43 16.98 29.08 91.75 50.02 -64.72 -40.58 1.34 0.00 98.66 0.23 0.12 0.80 98.67 0.19 0.00 0.00 0.00 61 S H H 48.94 5.83 18.48 25.25 91.87 51.03 -64.33 -40.59 2.09 0.00 97.91 0.39 0.21 1.24 97.88 0.27 0.00 0.00 0.00 62 N H H 90.96 2.10 20.93 21.65 92.30 50.25 -65.44 -40.71 2.21 0.00 97.78 0.40 0.22 1.35 97.73 0.29 0.00 0.00 0.00 63 T H H 53.26 7.00 18.10 26.15 92.37 50.11 -65.23 -41.66 2.24 0.01 97.76 0.40 0.21 1.40 97.69 0.29 0.00 0.00 0.00 64 V H H 53.94 8.76 16.70 26.65 91.71 50.15 -64.20 -41.81 1.21 0.00 98.79 0.28 0.12 0.64 98.78 0.17 0.00 0.00 0.00 65 K H H 116.67 2.56 19.51 21.67 91.82 50.92 -64.15 -41.03 0.74 0.00 99.25 0.18 0.06 0.37 99.23 0.16 0.00 0.00 0.00 66 V H H 74.93 3.18 18.73 21.89 91.99 49.95 -64.47 -41.79 0.78 0.00 99.22 0.12 0.05 0.46 99.18 0.18 0.00 0.00 0.00 67 F H H 82.33 8.36 16.42 25.58 92.12 49.16 -64.99 -41.74 0.50 0.00 99.50 0.08 0.03 0.29 99.47 0.13 0.00 0.00 0.00 68 K H H 105.87 5.24 17.38 23.50 91.63 51.16 -63.34 -41.14 0.48 0.00 99.52 0.09 0.03 0.26 99.54 0.08 0.00 0.00 0.00 69 D H H 90.44 1.82 18.91 19.56 92.10 49.67 -64.94 -40.84 0.66 0.00 99.34 0.11 0.04 0.37 99.38 0.09 0.00 0.00 0.00 70 I H H 81.98 4.38 17.55 22.49 92.10 48.96 -65.19 -41.42 0.61 0.00 99.39 0.09 0.04 0.35 99.41 0.10 0.00 0.00 0.00 71 D H H 58.81 7.53 15.69 24.31 91.98 50.24 -64.19 -40.48 0.86 0.00 99.14 0.15 0.06 0.47 99.21 0.11 0.00 0.00 0.00 72 A H H 55.64 3.01 16.82 20.24 91.63 51.34 -63.76 -40.25 1.13 0.00 98.87 0.19 0.07 0.63 98.92 0.18 0.00 0.00 0.00 73 A H H 55.67 2.44 16.48 18.94 92.07 51.36 -64.62 -40.50 1.53 0.00 98.47 0.26 0.11 0.93 98.39 0.30 0.00 0.00 0.00 74 I H H 75.00 4.82 14.03 20.20 92.39 49.68 -65.59 -41.42 1.99 0.01 98.00 0.44 0.18 1.19 97.65 0.54 0.00 0.00 0.00 75 I H H 87.32 3.87 12.74 17.91 92.26 49.78 -65.81 -39.32 2.63 0.03 97.34 0.69 0.28 1.51 96.25 1.25 0.00 0.02 0.01 76 Q H H 123.82 1.38 12.56 14.01 92.72 53.35 -66.60 -33.84 9.11 0.03 90.86 1.09 0.64 7.00 88.00 3.23 0.01 0.02 0.02 77 N H H 117.32 1.54 10.73 12.92 94.34 54.29 -75.15 -19.91 28.92 0.06 71.02 2.52 1.59 24.14 68.50 3.18 0.01 0.02 0.04 78 F C H 138.85 3.60 8.24 13.34 99.78 59.93 -85.82 -2.46 52.06 0.21 47.74 23.03 1.64 26.55 46.27 2.28 0.00 0.07 0.16 79 R C C 166.12 2.69 11.06 15.44 104.95 102.95 -78.90 80.52 99.97 0.02 0.02 99.90 0.04 0.04 0.01 0.00 0.00 0.01 0.00