# 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 Q C C 121.62 3.56 11.95 17.02 112.60 -163.14 -94.49 120.06 99.80 0.08 0.12 99.68 0.11 0.09 0.07 0.01 0.00 0.03 0.02 1 A C C 71.37 3.96 8.84 14.47 107.49 -127.40 -81.54 111.11 67.32 0.64 32.04 59.56 1.47 6.89 28.37 3.08 0.00 0.31 0.33 2 D C H 108.13 2.12 9.81 13.12 102.61 56.78 -75.83 2.21 56.94 0.83 42.23 35.66 8.90 12.49 37.06 5.09 0.01 0.37 0.42 3 G H H 48.76 2.88 10.37 14.48 100.40 50.11 -66.13 -27.02 48.80 0.76 50.44 30.43 8.56 10.64 43.06 6.59 0.01 0.34 0.38 4 Q H H 114.07 2.94 10.51 14.83 99.75 62.77 -76.09 -22.31 43.03 0.60 56.37 26.79 7.54 9.20 50.98 4.92 0.01 0.27 0.28 5 D H H 91.60 2.66 11.86 15.47 99.79 59.12 -76.79 -19.72 43.07 0.51 56.42 28.90 5.87 8.26 53.09 3.42 0.00 0.21 0.25 6 M H H 104.28 3.52 11.43 16.24 94.61 65.51 -66.93 -38.16 10.23 0.09 89.68 5.75 1.94 2.94 87.65 1.63 0.00 0.03 0.04 7 Q H H 112.14 2.17 13.70 16.36 92.93 53.52 -65.36 -39.98 5.16 0.04 94.79 2.16 0.76 2.22 93.53 1.30 0.00 0.02 0.02 8 S H H 60.86 2.16 14.26 16.64 92.65 51.00 -65.67 -40.13 5.71 0.06 94.22 2.41 0.86 2.61 92.66 1.38 0.01 0.03 0.03 9 L H H 86.40 2.84 13.83 17.44 92.48 50.65 -65.50 -41.14 2.90 0.04 97.06 1.28 0.42 1.24 96.35 0.66 0.00 0.02 0.02 10 F H H 111.96 2.80 14.33 17.79 92.31 50.11 -64.98 -41.11 1.44 0.02 98.55 0.67 0.18 0.56 98.33 0.25 0.00 0.01 0.01 11 T H H 72.51 2.25 14.82 17.29 91.99 50.65 -64.99 -40.68 1.03 0.01 98.96 0.36 0.10 0.49 98.81 0.23 0.00 0.01 0.00 12 Q H H 105.16 1.97 15.02 16.89 92.25 50.97 -65.56 -40.82 0.86 0.01 99.13 0.20 0.08 0.50 99.02 0.19 0.00 0.00 0.00 13 Y H H 126.49 2.51 14.53 17.48 92.45 49.47 -65.42 -41.74 0.88 0.01 99.11 0.20 0.08 0.52 99.02 0.17 0.00 0.00 0.00 14 F H H 116.56 2.39 14.57 17.29 92.32 49.23 -65.36 -41.01 0.70 0.00 99.30 0.17 0.06 0.38 99.24 0.14 0.00 0.00 0.00 15 Q H H 103.59 2.07 15.07 17.10 92.30 51.47 -65.29 -40.41 1.04 0.01 98.96 0.22 0.09 0.62 98.87 0.20 0.00 0.00 0.00 16 S H H 57.96 2.61 15.00 18.01 92.41 50.40 -65.50 -40.61 2.15 0.01 97.84 0.36 0.18 1.44 97.69 0.33 0.00 0.00 0.00 17 M H H 102.11 2.68 15.15 18.18 92.52 49.68 -66.21 -40.27 3.47 0.02 96.51 0.70 0.38 2.13 96.28 0.49 0.01 0.01 0.01 18 T H H 70.56 2.73 14.84 18.06 92.74 50.48 -65.62 -40.99 5.81 0.05 94.13 2.23 0.86 2.68 93.45 0.72 0.01 0.02 0.02 19 E H H 109.62 2.06 15.92 17.72 92.55 50.41 -65.88 -40.43 7.45 0.07 92.48 2.90 1.08 3.59 91.16 1.20 0.01 0.03 0.03 20 Y H H 126.29 2.54 15.14 17.97 92.70 49.49 -66.18 -39.78 7.32 0.05 92.63 2.65 1.05 3.61 91.14 1.50 0.01 0.02 0.02 21 G H H 34.22 3.48 14.32 18.98 92.70 52.07 -64.70 -39.88 9.25 0.06 90.70 3.60 1.29 4.33 88.99 1.74 0.00 0.03 0.03 22 K H H 120.75 2.12 15.35 17.44 92.77 51.49 -66.28 -39.94 13.14 0.07 86.78 3.85 1.83 7.33 84.75 2.16 0.01 0.03 0.04 23 D H H 81.89 2.27 14.70 17.17 92.85 51.05 -66.28 -39.53 14.56 0.09 85.35 4.91 1.95 7.63 83.33 2.09 0.01 0.04 0.05 24 L H H 91.34 2.33 13.64 16.53 92.48 51.28 -65.45 -40.59 9.46 0.09 90.45 4.29 1.59 3.93 86.46 3.64 0.01 0.05 0.04 25 V H H 84.28 2.29 13.11 16.07 92.52 50.52 -65.60 -39.47 8.71 0.11 91.18 3.74 1.24 3.86 86.40 4.64 0.01 0.06 0.04 26 E H H 122.19 1.74 13.75 15.58 93.17 51.30 -67.16 -37.14 12.11 0.13 87.77 3.72 1.73 6.73 82.39 5.28 0.02 0.07 0.06 27 K H H 135.56 1.71 13.28 15.15 94.22 50.38 -69.91 -33.56 19.52 0.20 80.28 5.29 3.35 11.45 75.43 4.22 0.05 0.09 0.12 28 A H H 62.77 3.35 11.50 16.21 96.56 54.63 -75.42 -27.14 43.87 0.63 55.51 19.08 9.95 15.77 51.82 2.76 0.03 0.21 0.37 29 K C C 129.01 2.77 12.53 16.32 98.07 69.16 -71.41 -14.83 67.68 0.46 31.87 42.85 7.23 15.33 31.33 2.81 0.00 0.17 0.28 30 T H H 75.20 3.39 11.69 16.46 98.64 77.66 -69.87 -38.00 41.85 0.28 57.88 25.47 8.22 7.59 55.69 2.79 0.00 0.10 0.14 31 S H H 73.64 1.89 13.22 15.25 94.59 55.37 -67.03 -36.63 21.98 0.17 77.86 10.81 3.99 7.22 74.98 2.85 0.01 0.07 0.08 32 E H H 120.06 1.82 13.71 15.55 93.41 53.33 -67.16 -38.24 11.59 0.14 88.27 6.45 1.75 3.85 85.48 2.35 0.00 0.07 0.06 33 I H H 88.04 3.30 12.81 17.23 92.76 51.29 -66.51 -40.52 4.59 0.07 95.34 2.73 0.63 1.40 94.06 1.13 0.00 0.03 0.02 34 Q H H 104.18 2.55 14.25 17.38 92.61 51.20 -65.00 -40.46 2.33 0.03 97.64 1.26 0.28 0.81 97.08 0.56 0.00 0.01 0.01 35 S H H 61.69 1.92 15.30 16.87 92.21 50.35 -65.04 -41.12 1.92 0.01 98.07 0.78 0.24 0.84 97.71 0.42 0.00 0.00 0.00 36 Q H H 107.80 1.76 15.81 17.06 92.46 49.88 -65.64 -40.52 1.67 0.01 98.31 0.56 0.18 0.82 98.13 0.30 0.00 0.00 0.00 37 A H H 51.89 3.11 14.25 18.45 92.03 51.09 -64.40 -41.14 1.02 0.00 98.98 0.31 0.10 0.47 98.96 0.16 0.00 0.00 0.00 38 K H H 118.60 2.03 15.70 17.66 92.10 50.73 -64.57 -40.33 0.57 0.00 99.43 0.14 0.04 0.29 99.42 0.11 0.00 0.00 0.00 39 A H H 56.02 2.03 15.31 17.28 91.75 50.88 -63.96 -41.16 0.58 0.00 99.42 0.10 0.03 0.35 99.41 0.11 0.00 0.00 0.00 40 Y H H 131.74 1.79 15.32 16.76 92.10 50.01 -64.81 -41.57 0.55 0.00 99.45 0.09 0.03 0.33 99.44 0.10 0.00 0.00 0.00 41 F H H 116.19 2.17 14.49 16.93 92.08 49.69 -64.93 -40.94 0.43 0.00 99.57 0.07 0.02 0.25 99.56 0.09 0.00 0.00 0.00 42 E H H 108.25 1.83 15.08 16.69 91.91 50.69 -64.60 -40.47 0.82 0.00 99.18 0.11 0.05 0.54 99.18 0.13 0.00 0.00 0.00 43 K H H 122.22 1.46 15.18 15.94 92.19 50.04 -65.28 -40.26 1.53 0.00 98.47 0.17 0.10 1.08 98.46 0.19 0.00 0.00 0.00 44 T H H 69.74 2.37 13.93 16.88 92.43 50.90 -64.95 -40.74 2.24 0.00 97.76 0.46 0.22 1.34 97.56 0.42 0.00 0.00 0.00 45 H H H 117.51 2.22 13.80 16.53 92.49 50.68 -65.45 -38.73 1.95 0.00 98.05 0.28 0.13 1.32 97.29 0.97 0.00 0.00 0.00 46 E H H 120.87 1.63 14.43 15.85 92.47 51.90 -66.30 -38.31 2.59 0.00 97.40 0.18 0.13 2.06 95.91 1.71 0.00 0.00 0.00 47 Q H H 121.87 1.39 14.26 15.15 93.02 50.72 -69.26 -34.38 13.34 0.00 86.65 0.24 0.37 13.04 84.34 2.00 0.00 0.00 0.00 48 L H H 92.31 3.23 12.78 17.09 95.32 47.77 -78.91 -25.28 21.79 0.01 78.20 0.52 0.80 20.65 76.19 1.82 0.01 0.00 0.01 49 T H H 67.17 3.71 12.79 17.99 93.80 69.70 -62.46 -43.05 2.04 0.00 97.96 0.61 0.29 0.86 97.75 0.49 0.00 0.00 0.00 50 P H H 78.21 1.79 14.89 16.36 92.21 50.43 -64.18 -39.89 0.95 0.00 99.05 0.23 0.07 0.55 98.62 0.54 0.00 0.00 0.00 51 L H H 100.62 1.67 14.84 16.15 92.18 50.38 -65.14 -40.56 0.26 0.00 99.74 0.04 0.02 0.15 99.37 0.42 0.00 0.00 0.00 52 V H H 81.33 2.76 13.81 17.38 92.17 49.61 -65.13 -41.11 0.22 0.00 99.78 0.05 0.02 0.11 99.69 0.13 0.00 0.00 0.00 53 R H H 146.50 1.67 15.33 16.80 92.01 50.26 -64.74 -40.84 0.51 0.00 99.49 0.09 0.03 0.30 99.49 0.09 0.00 0.00 0.00 54 S H H 66.01 1.67 15.82 16.85 91.93 49.90 -64.87 -40.71 0.94 0.00 99.06 0.14 0.07 0.61 99.05 0.13 0.00 0.00 0.00 55 A H H 57.81 2.45 14.96 17.82 91.90 50.04 -64.51 -40.84 1.19 0.00 98.81 0.17 0.07 0.74 98.83 0.19 0.00 0.00 0.00 56 G H H 35.88 2.96 14.81 18.59 92.19 51.13 -64.14 -40.85 2.53 0.00 97.47 0.30 0.14 1.74 97.51 0.32 0.00 0.00 0.00 57 T H H 77.57 1.98 15.84 17.52 92.14 50.13 -65.02 -40.52 2.10 0.00 97.90 0.34 0.17 1.28 97.83 0.38 0.00 0.00 0.00 58 S H H 63.70 2.01 15.55 17.38 92.11 50.70 -65.32 -40.16 2.69 0.00 97.31 0.39 0.19 1.76 97.20 0.45 0.00 0.00 0.00 59 L H H 91.11 2.45 14.80 17.63 91.99 50.52 -64.95 -41.18 1.72 0.00 98.28 0.31 0.13 1.00 98.17 0.38 0.00 0.00 0.00 60 V H H 83.75 2.25 14.73 17.28 91.87 50.59 -64.59 -41.27 0.74 0.00 99.26 0.16 0.06 0.38 99.15 0.24 0.00 0.00 0.00 61 N H H 98.04 1.69 15.17 16.53 91.93 50.69 -64.86 -40.20 1.10 0.00 98.90 0.13 0.06 0.75 98.69 0.38 0.00 0.00 0.00 62 F H H 120.54 1.86 14.73 16.44 92.10 50.25 -64.86 -41.39 1.14 0.00 98.86 0.12 0.06 0.79 98.54 0.48 0.00 0.00 0.00 63 F H H 116.51 2.06 14.62 16.76 92.03 49.51 -64.84 -41.18 0.91 0.00 99.09 0.14 0.07 0.56 98.86 0.37 0.00 0.00 0.00 64 S H H 57.30 2.24 13.98 16.66 91.93 51.47 -64.36 -40.15 2.02 0.00 97.97 0.25 0.13 1.41 97.53 0.67 0.00 0.00 0.00 65 S H H 62.93 2.07 13.57 16.02 92.23 51.17 -65.71 -39.66 4.84 0.01 95.15 0.43 0.33 3.76 94.27 1.20 0.01 0.00 0.00 66 L H H 100.71 1.78 13.14 15.06 92.59 50.89 -65.81 -40.06 5.87 0.03 94.10 0.94 0.67 4.07 92.47 1.82 0.01 0.01 0.01 67 M H H 110.99 1.57 12.62 14.22 93.08 50.76 -66.74 -38.73 10.94 0.12 88.93 3.36 1.95 6.07 86.02 2.47 0.02 0.06 0.06 68 N H H 98.84 1.78 11.94 14.15 94.70 51.57 -71.01 -32.22 23.01 0.22 76.76 9.72 2.90 10.77 73.13 3.25 0.01 0.10 0.11 69 L H H 102.29 2.80 9.70 14.03 94.07 58.06 -69.40 -32.18 24.03 0.34 75.63 9.80 4.19 11.26 68.68 5.69 0.03 0.16 0.18 70 E H H 146.87 1.18 10.60 12.13 94.77 57.49 -73.13 -22.42 35.33 0.46 64.22 12.51 7.14 17.18 57.86 4.80 0.05 0.19 0.26 71 E C H 148.96 1.15 10.18 11.52 99.46 55.22 -85.74 -5.78 56.28 0.82 42.91 21.21 14.15 22.46 37.03 4.31 0.04 0.31 0.49 72 K C C 137.45 2.54 8.29 12.81 116.34 96.16 -89.85 139.41 88.40 0.61 10.99 41.93 41.57 4.30 10.42 1.19 0.00 0.19 0.41 73 P C C 106.11 1.90 8.86 12.39 112.57 -106.49 -68.82 147.10 85.89 1.07 13.05 74.84 5.75 5.31 10.18 2.73 0.00 0.46 0.73 74 A C C 83.65 2.46 7.33 11.78 112.58 -106.63 -76.11 146.02 81.76 1.43 16.81 59.79 13.25 8.57 10.67 6.19 0.00 0.69 0.84 75 P C C 115.87 1.38 7.71 10.43 109.64 -103.46 -74.81 138.58 83.46 1.56 14.98 61.12 11.01 11.31 8.18 6.68 0.00 0.80 0.90 76 A C C 93.55 1.33 6.95 9.72 109.59 -124.20 -84.76 120.48 89.26 1.07 9.67 81.79 1.84 6.95 5.21 3.12 0.00 0.54 0.55 77 A C C 88.23 2.09 9.05 12.76 109.78 -117.59 -78.73 129.27 99.96 0.02 0.02 99.86 0.07 0.05 0.01 0.00 0.00 0.01 0.00