# 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 60.13 6.51 12.59 20.27 106.47 -128.15 -78.12 110.37 99.78 0.03 0.19 99.68 0.07 0.09 0.13 0.00 0.00 0.01 0.01 1 A C C 69.44 3.76 10.90 16.04 99.97 88.01 -73.62 -29.50 63.65 0.41 35.95 55.17 1.23 5.31 36.98 0.97 0.00 0.15 0.19 2 D H H 102.09 1.85 11.67 14.06 97.79 58.65 -72.34 -31.22 45.24 0.51 54.25 32.44 5.86 5.36 54.88 1.06 0.00 0.17 0.23 3 I H H 97.48 3.88 11.19 16.29 93.93 55.98 -66.72 -39.46 7.49 0.09 92.42 3.90 1.23 2.28 91.82 0.70 0.00 0.04 0.03 4 V H H 71.05 5.19 12.29 18.96 92.88 51.13 -65.56 -40.99 2.39 0.05 97.56 1.15 0.35 0.92 97.03 0.51 0.00 0.03 0.01 5 Q H H 102.96 2.10 15.33 17.43 92.41 50.80 -65.12 -40.70 1.43 0.04 98.54 0.69 0.19 0.59 98.05 0.44 0.00 0.02 0.01 6 M H H 94.82 2.87 15.18 18.60 92.29 50.50 -64.97 -41.58 1.09 0.03 98.88 0.47 0.14 0.51 98.55 0.30 0.00 0.02 0.01 7 V H H 62.38 6.77 14.41 22.52 92.43 49.17 -64.85 -41.58 0.76 0.01 99.22 0.33 0.09 0.35 99.08 0.14 0.00 0.01 0.00 8 E H H 103.50 4.19 16.46 21.49 91.97 50.55 -64.30 -40.81 0.74 0.01 99.25 0.27 0.08 0.35 99.21 0.09 0.00 0.00 0.00 9 D H H 87.74 1.98 18.21 19.39 92.32 49.46 -65.24 -40.49 1.60 0.01 98.39 0.46 0.16 0.88 98.35 0.13 0.00 0.00 0.00 10 L H H 72.15 5.63 16.87 23.57 92.33 49.95 -64.99 -41.54 1.33 0.01 98.67 0.36 0.12 0.72 98.66 0.12 0.00 0.00 0.00 11 T H H 51.49 8.84 16.14 26.12 92.07 50.52 -64.46 -41.13 1.10 0.00 98.89 0.31 0.10 0.55 98.96 0.09 0.00 0.00 0.00 12 G H H 36.86 3.28 18.61 22.04 91.89 51.24 -64.04 -40.86 1.20 0.00 98.79 0.26 0.10 0.64 98.93 0.08 0.00 0.00 0.00 13 K H H 122.24 2.23 19.52 21.17 92.36 49.49 -65.62 -40.47 0.79 0.00 99.21 0.17 0.06 0.41 99.30 0.06 0.00 0.00 0.00 14 L H H 59.74 9.14 16.60 26.84 92.21 49.60 -64.50 -42.05 0.35 0.00 99.65 0.09 0.02 0.16 99.69 0.03 0.00 0.00 0.00 15 T H H 55.01 8.62 17.31 26.79 91.89 50.42 -64.07 -41.25 0.25 0.00 99.75 0.07 0.01 0.11 99.79 0.02 0.00 0.00 0.00 16 A H H 62.01 2.20 20.27 21.39 91.85 50.26 -64.25 -41.58 0.14 0.00 99.86 0.02 0.00 0.07 99.88 0.02 0.00 0.00 0.00 17 L H H 83.87 3.47 19.73 23.19 92.02 48.69 -64.78 -41.82 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 18 A H H 25.64 11.87 15.16 28.45 91.74 50.74 -63.54 -41.88 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 19 W H H 128.39 5.53 18.72 24.71 91.85 50.34 -64.03 -41.24 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 20 A H H 61.79 2.11 19.89 20.93 91.68 50.47 -64.29 -41.63 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 21 L H H 72.05 6.50 17.78 25.19 91.95 49.34 -65.16 -41.62 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 22 F H H 71.52 10.81 15.91 27.47 91.92 49.95 -64.15 -41.53 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 23 L H H 93.71 3.38 19.09 22.49 91.95 49.50 -64.53 -41.22 0.32 0.00 99.68 0.03 0.01 0.22 99.70 0.04 0.00 0.00 0.00 24 L H H 92.32 2.78 19.42 21.76 92.22 49.23 -65.34 -41.42 0.54 0.00 99.46 0.06 0.03 0.36 99.48 0.07 0.00 0.00 0.00 25 S H H 35.50 9.26 16.34 26.88 92.13 50.71 -64.70 -41.09 1.02 0.00 98.98 0.12 0.07 0.71 98.97 0.13 0.00 0.00 0.00 26 W H H 107.72 8.45 17.53 26.75 92.33 49.96 -65.35 -40.88 1.70 0.00 98.30 0.18 0.12 1.26 98.21 0.22 0.01 0.00 0.00 27 S H H 57.21 3.29 19.23 22.51 92.20 50.46 -64.49 -41.81 1.88 0.01 98.12 0.22 0.15 1.34 98.05 0.23 0.01 0.00 0.00 28 I H H 81.81 3.84 19.00 23.00 92.29 48.72 -65.28 -41.97 2.41 0.01 97.58 0.31 0.23 1.71 97.29 0.44 0.01 0.00 0.00 29 G H H 16.30 9.33 14.38 25.73 92.04 51.70 -63.81 -41.61 3.83 0.02 96.16 0.48 0.31 2.85 95.33 1.01 0.01 0.01 0.01 30 W H H 109.79 5.86 14.93 22.27 92.46 50.07 -65.62 -39.76 3.51 0.03 96.46 0.50 0.34 2.58 93.88 2.65 0.02 0.01 0.01 31 T H H 86.89 2.48 15.17 18.01 92.74 51.24 -66.67 -37.38 4.48 0.03 95.50 0.49 0.38 3.50 92.24 3.35 0.02 0.01 0.01 32 L H H 107.41 3.61 13.54 18.08 94.59 49.26 -72.22 -32.11 13.59 0.07 86.33 1.03 1.27 11.36 83.48 2.72 0.06 0.03 0.04 33 R C H 146.06 3.59 12.11 16.91 98.51 42.12 -91.94 -7.23 51.41 0.29 48.30 2.98 5.24 41.71 47.32 2.38 0.07 0.10 0.21 34 G C T 56.11 2.04 12.70 15.70 104.00 -118.17 80.29 13.47 97.89 0.20 1.91 24.98 8.97 64.26 1.09 0.51 0.00 0.10 0.09 35 S C C 64.19 4.74 10.92 17.45 120.02 107.51 -100.20 146.94 99.21 0.56 0.23 79.98 18.27 1.00 0.09 0.12 0.00 0.24 0.30 36 P C C 100.27 3.09 13.22 17.71 111.77 -103.32 -71.40 140.58 98.91 0.93 0.15 73.34 24.37 1.30 0.04 0.10 0.00 0.46 0.38 37 I C C 69.45 11.26 8.73 20.67 116.12 -134.61 -97.37 129.65 92.02 7.76 0.22 76.99 15.17 0.36 0.13 0.10 0.00 4.62 2.62 38 P C C 71.67 3.67 14.05 19.03 111.36 -112.12 -66.20 142.12 93.54 5.80 0.67 91.74 1.64 0.46 0.37 0.18 0.00 4.31 1.28 39 S H H 73.63 4.91 10.63 17.38 94.57 -132.91 -62.94 -33.79 31.90 0.76 67.34 13.85 6.64 12.46 49.96 16.28 0.05 0.38 0.38 40 S H H 79.75 1.39 12.98 14.32 93.08 60.42 -66.06 -36.18 23.41 0.44 76.15 5.84 3.99 12.93 58.61 18.11 0.08 0.25 0.19 41 R H H 129.21 3.23 12.72 17.12 93.69 52.39 -69.16 -35.10 17.35 0.61 82.04 6.82 3.18 7.46 63.13 18.79 0.04 0.38 0.20 42 I H H 65.19 8.45 10.48 20.39 93.17 53.32 -66.61 -39.88 16.25 0.87 82.88 8.56 3.22 5.69 70.15 11.50 0.03 0.57 0.27 43 K H H 130.55 2.62 13.66 17.20 93.03 53.48 -66.54 -37.62 25.20 1.58 73.22 14.80 4.35 7.87 63.72 7.73 0.04 1.02 0.48 44 R H H 156.36 1.71 13.88 15.70 93.74 51.65 -69.30 -32.99 33.27 1.76 64.96 18.20 5.88 11.01 56.78 6.42 0.05 1.01 0.63 45 V H H 82.57 4.72 12.45 18.53 98.01 52.57 -73.95 -33.43 38.37 1.25 60.38 16.48 7.82 15.61 54.47 4.38 0.07 0.62 0.54 46 G C H 41.62 4.69 13.26 19.19 102.30 34.04 -33.13 -23.47 52.24 0.68 47.08 21.39 8.92 22.58 41.78 4.64 0.03 0.30 0.37 47 N C H 93.99 4.33 12.25 17.95 101.32 64.99 -79.63 -14.43 53.34 0.63 46.04 24.02 11.84 17.79 40.61 5.12 0.02 0.25 0.35 48 S H H 67.50 3.52 12.89 17.49 103.24 64.41 -78.63 -30.42 49.52 0.75 49.74 26.60 10.33 12.73 45.63 4.03 0.01 0.31 0.36 49 L H H 115.49 2.27 12.96 15.87 95.06 41.21 -68.46 -35.46 24.65 0.75 74.60 12.48 6.12 7.54 70.35 2.83 0.03 0.36 0.27 50 I H H 103.90 2.62 14.42 17.46 94.60 51.15 -68.44 -40.73 16.08 0.84 83.07 9.08 3.24 5.07 79.75 2.12 0.03 0.48 0.22 51 E H H 86.85 5.77 14.10 21.14 93.89 50.07 -66.96 -39.98 9.95 0.38 89.67 6.21 1.60 2.91 87.44 1.51 0.00 0.22 0.09 52 D H H 74.93 4.74 15.29 21.15 93.03 51.81 -64.97 -39.67 4.48 0.08 95.44 2.52 0.68 1.54 94.47 0.73 0.00 0.04 0.02 53 S H H 58.50 2.96 16.85 20.01 92.42 51.15 -65.53 -40.66 2.18 0.03 97.79 0.96 0.30 0.96 97.33 0.43 0.00 0.01 0.01 54 M H H 88.19 4.80 16.78 22.45 92.72 49.52 -65.77 -41.85 1.08 0.02 98.90 0.40 0.13 0.52 98.70 0.24 0.00 0.01 0.00 55 W H H 112.20 6.91 16.52 24.27 92.30 49.82 -64.58 -41.52 0.61 0.01 99.38 0.19 0.07 0.30 99.30 0.13 0.00 0.00 0.00 56 A H H 51.59 3.72 17.60 22.04 91.75 50.70 -63.60 -41.65 0.54 0.00 99.46 0.13 0.05 0.29 99.42 0.10 0.00 0.00 0.00 57 A H H 53.41 3.42 17.94 21.75 91.98 50.47 -64.06 -41.49 0.45 0.00 99.54 0.10 0.04 0.26 99.51 0.09 0.00 0.00 0.00 58 L H H 70.44 7.24 16.90 25.10 92.13 49.98 -64.68 -41.67 0.43 0.00 99.57 0.09 0.04 0.25 99.52 0.10 0.00 0.00 0.00 59 W H H 123.30 6.49 17.52 24.71 92.15 50.46 -63.88 -41.55 0.59 0.01 99.40 0.11 0.05 0.37 99.32 0.14 0.00 0.00 0.00 60 L H H 96.42 2.55 19.04 21.28 92.07 49.57 -64.82 -41.55 1.16 0.01 98.83 0.20 0.11 0.76 98.71 0.21 0.00 0.00 0.00 61 A H H 51.26 4.38 17.99 23.12 92.17 50.13 -65.31 -40.96 3.01 0.02 96.97 0.41 0.24 2.17 96.82 0.33 0.01 0.01 0.01 62 L H H 66.22 8.37 17.01 26.20 92.26 49.41 -65.49 -40.77 6.00 0.02 93.98 0.81 0.57 4.30 93.74 0.54 0.01 0.01 0.01 63 G H H 30.17 6.42 17.28 24.85 92.58 52.14 -63.96 -41.18 9.02 0.03 90.94 1.82 0.89 5.73 90.85 0.68 0.01 0.01 0.02 64 T H H 76.46 2.67 19.44 21.59 92.43 50.02 -66.64 -40.49 7.10 0.06 92.84 2.05 0.88 3.85 92.49 0.68 0.00 0.03 0.02 65 T H H 61.70 5.52 17.91 24.10 92.90 50.22 -66.20 -41.23 3.50 0.10 96.40 1.39 0.47 1.66 95.90 0.50 0.00 0.05 0.02 66 V H H 59.24 8.54 16.56 25.89 92.46 49.81 -64.62 -42.60 1.22 0.02 98.76 0.47 0.14 0.55 98.62 0.21 0.00 0.01 0.00 67 F H H 112.37 3.79 17.80 22.24 92.21 50.21 -64.78 -41.41 0.49 0.00 99.50 0.15 0.05 0.24 99.47 0.10 0.00 0.00 0.00 68 A H H 57.40 2.71 17.95 20.60 91.95 50.92 -64.34 -41.78 0.29 0.00 99.71 0.06 0.02 0.16 99.69 0.06 0.00 0.00 0.00 69 V H H 66.79 5.73 16.85 23.39 92.05 49.28 -64.78 -42.25 0.24 0.00 99.76 0.04 0.01 0.14 99.75 0.05 0.00 0.00 0.00 70 I H H 75.61 6.55 16.29 23.87 92.11 48.98 -64.32 -41.87 0.22 0.00 99.78 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 71 V H H 81.57 2.86 17.50 20.48 91.95 50.12 -64.35 -41.76 0.38 0.00 99.61 0.06 0.02 0.24 99.62 0.06 0.00 0.00 0.00 72 R H H 132.76 2.41 17.72 19.93 92.17 49.45 -65.48 -41.54 0.96 0.01 99.03 0.11 0.06 0.68 99.02 0.13 0.00 0.00 0.00 73 L H H 75.72 5.65 16.37 22.90 92.41 48.38 -65.51 -41.37 1.34 0.01 98.64 0.18 0.10 0.94 98.58 0.18 0.00 0.01 0.00 74 A H H 48.35 5.09 15.32 21.78 91.97 50.76 -63.88 -40.83 1.45 0.01 98.55 0.26 0.12 0.90 98.37 0.34 0.00 0.00 0.00 75 G H H 37.36 2.62 16.66 19.44 92.46 51.31 -64.19 -41.04 3.57 0.01 96.42 0.43 0.25 2.61 96.05 0.65 0.01 0.00 0.00 76 I H H 90.35 3.04 16.13 19.50 92.63 49.32 -65.75 -41.71 4.63 0.02 95.35 0.59 0.40 3.40 94.69 0.89 0.01 0.01 0.01 77 V H H 71.38 4.92 14.25 20.28 92.60 48.67 -65.45 -41.48 6.17 0.04 93.79 1.18 0.77 4.01 92.94 1.05 0.01 0.01 0.02 78 N H H 86.31 3.04 13.57 17.51 92.32 51.40 -64.80 -40.29 8.61 0.06 91.33 2.39 1.13 4.94 89.04 2.44 0.01 0.03 0.02 79 E H H 124.64 1.40 13.38 14.59 92.44 51.45 -66.23 -38.63 11.17 0.09 88.74 2.85 1.46 6.66 81.79 7.14 0.02 0.05 0.04 80 V H H 94.67 2.47 11.53 14.93 93.32 50.52 -68.46 -36.71 14.87 0.13 85.00 3.74 1.78 9.07 77.38 7.87 0.02 0.08 0.05 81 L H H 114.38 2.86 9.68 13.74 94.68 51.63 -73.14 -29.53 25.34 0.32 74.34 7.05 3.43 15.23 68.12 5.79 0.04 0.16 0.17 82 L C H 127.90 1.60 9.41 11.91 98.01 53.14 -81.96 -11.15 51.45 0.77 47.78 27.94 2.04 20.84 46.16 2.24 0.00 0.28 0.50 83 G C C 52.56 2.65 12.69 16.53 107.88 -107.96 75.61 -1.49 99.97 0.02 0.01 99.78 0.11 0.09 0.01 0.00 0.00 0.01 0.00