# 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 98.82 6.23 13.55 20.86 104.70 77.99 -82.30 92.43 99.62 0.21 0.18 99.60 0.07 0.07 0.13 0.01 0.00 0.07 0.05 1 M H H 115.27 2.95 12.70 16.58 94.80 107.46 -69.43 -35.10 40.36 2.61 57.02 35.24 1.12 4.77 55.09 1.40 0.00 0.90 1.47 2 L H H 85.52 6.99 10.83 18.68 93.89 55.43 -67.14 -37.53 15.48 0.27 84.26 7.72 2.26 5.21 83.44 1.14 0.01 0.12 0.10 3 N H H 97.91 3.17 13.49 17.66 93.08 53.00 -65.93 -39.63 7.12 0.18 92.70 3.24 0.97 3.07 91.31 1.25 0.01 0.11 0.04 4 I H H 105.07 1.47 15.91 16.35 92.50 50.89 -65.46 -41.39 2.37 0.10 97.54 0.88 0.32 1.15 96.78 0.80 0.00 0.06 0.01 5 A H H 39.98 6.80 13.84 22.30 92.27 50.53 -64.97 -41.04 1.01 0.03 98.96 0.33 0.10 0.49 98.77 0.28 0.00 0.01 0.00 6 L H H 57.77 10.00 13.90 24.68 92.17 51.60 -64.22 -41.15 0.38 0.00 99.61 0.10 0.03 0.19 99.57 0.11 0.00 0.00 0.00 7 V H H 88.38 1.98 18.78 19.87 91.84 50.31 -64.36 -42.12 0.19 0.00 99.81 0.03 0.01 0.10 99.79 0.06 0.00 0.00 0.00 8 I H H 92.95 2.78 18.77 21.20 91.99 49.00 -64.70 -42.07 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 9 L H H 44.28 12.88 14.95 28.60 91.86 49.88 -64.45 -41.44 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 10 S H H 50.16 6.55 18.04 25.32 91.80 50.68 -63.72 -41.60 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 11 L H H 103.77 1.44 21.53 20.66 91.81 49.58 -64.35 -41.24 0.24 0.00 99.76 0.01 0.01 0.17 99.75 0.05 0.00 0.00 0.00 12 A H H 36.00 8.78 17.02 27.20 91.98 50.51 -64.94 -40.66 0.49 0.00 99.51 0.03 0.01 0.37 99.51 0.07 0.00 0.00 0.00 13 M H H 53.28 13.21 16.18 29.74 91.74 51.39 -63.80 -41.56 0.44 0.00 99.56 0.03 0.02 0.30 99.59 0.06 0.00 0.00 0.00 14 V H H 87.55 2.26 21.49 22.52 91.54 50.96 -63.74 -42.29 0.27 0.00 99.73 0.02 0.01 0.17 99.73 0.06 0.00 0.00 0.00 15 G H H 33.77 3.38 19.86 23.33 91.63 50.19 -63.98 -41.77 0.28 0.00 99.72 0.02 0.01 0.19 99.70 0.08 0.00 0.00 0.00 16 F H H 43.06 14.80 14.88 30.29 91.93 50.93 -64.49 -40.92 0.27 0.00 99.73 0.01 0.01 0.20 99.67 0.11 0.00 0.00 0.00 17 L H H 76.96 7.21 18.34 26.14 91.64 51.85 -63.24 -41.69 0.46 0.00 99.54 0.02 0.02 0.39 99.44 0.13 0.00 0.00 0.00 18 Y H H 138.42 1.49 20.27 19.78 91.78 49.73 -64.20 -41.84 0.98 0.00 99.02 0.04 0.05 0.90 98.75 0.26 0.01 0.00 0.00 19 R H H 79.01 9.05 15.47 25.85 92.08 50.24 -65.64 -40.24 1.21 0.00 98.79 0.06 0.07 1.09 98.00 0.76 0.01 0.00 0.00 20 V H H 45.62 13.97 12.44 26.64 92.00 51.79 -66.01 -38.61 2.30 0.01 97.70 0.10 0.13 2.18 95.70 1.87 0.02 0.00 0.00 21 V H H 110.28 1.88 16.68 18.43 93.59 47.40 -71.64 -33.93 7.65 0.02 92.34 0.34 0.60 6.82 90.86 1.32 0.04 0.01 0.01 22 K H H 147.71 1.34 16.16 16.42 96.98 43.19 -90.76 -13.72 18.66 0.11 81.23 2.06 4.48 12.68 79.80 0.80 0.05 0.03 0.10 23 G C C 25.86 10.34 12.06 23.39 125.84 -124.96 92.62 165.06 99.81 0.12 0.07 78.50 20.72 0.61 0.04 0.02 0.00 0.04 0.08 24 P C C 71.80 8.35 13.70 23.03 107.67 -94.76 -72.62 144.64 99.46 0.45 0.09 76.30 22.51 0.64 0.03 0.04 0.00 0.13 0.35 25 S C C 54.98 3.89 18.06 22.10 126.09 -30.81 -104.76 167.98 97.46 2.13 0.42 49.98 46.71 0.46 0.31 0.07 0.00 0.23 2.23 26 T H H 84.13 6.99 14.53 22.83 92.00 -103.37 -59.43 -38.17 4.34 0.01 95.65 0.51 1.25 2.44 95.28 0.51 0.00 0.00 0.01 27 A H H 63.77 4.45 17.20 22.38 91.95 52.83 -64.31 -40.62 2.72 0.00 97.27 0.26 0.27 1.97 96.88 0.61 0.00 0.00 0.00 28 D H H 60.65 7.00 17.22 25.44 92.40 48.29 -66.65 -39.66 1.16 0.00 98.84 0.29 0.10 0.66 98.36 0.58 0.00 0.00 0.00 29 R H H 77.24 12.14 17.09 29.60 92.00 51.66 -63.56 -41.52 0.17 0.00 99.82 0.03 0.01 0.09 99.79 0.08 0.00 0.00 0.00 30 I H H 62.36 10.37 20.20 30.79 91.99 49.93 -64.50 -42.31 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 31 I H H 80.78 6.06 22.96 29.23 91.88 49.52 -64.09 -42.28 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 32 A H H 29.97 10.21 20.91 32.09 92.02 49.79 -64.20 -42.35 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 33 L H H 50.97 13.03 22.01 34.79 91.97 49.22 -64.45 -41.74 0.17 0.00 99.83 0.01 0.00 0.13 99.80 0.06 0.00 0.00 0.00 34 D H H 52.23 11.77 21.92 33.43 91.94 50.78 -64.09 -41.08 0.90 0.00 99.10 0.02 0.02 0.86 98.98 0.12 0.00 0.00 0.00 35 A H H 48.62 6.94 23.86 31.23 91.79 50.25 -64.74 -41.62 1.36 0.00 98.64 0.04 0.04 1.23 98.58 0.12 0.00 0.00 0.00 36 M H H 70.14 8.96 23.91 33.09 92.01 49.85 -64.82 -41.66 0.83 0.00 99.17 0.06 0.05 0.59 99.19 0.11 0.00 0.00 0.00 37 G H H 14.61 15.52 20.44 35.96 91.92 51.20 -63.94 -42.41 0.84 0.00 99.16 0.10 0.05 0.53 99.25 0.07 0.00 0.00 0.00 38 I H H 65.75 11.22 23.23 34.16 92.06 48.87 -64.84 -41.87 0.36 0.00 99.64 0.04 0.02 0.22 99.68 0.04 0.00 0.00 0.00 39 T H H 64.46 5.93 25.15 31.41 91.82 49.59 -64.79 -41.75 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 40 L H H 55.14 11.46 23.77 35.08 91.82 49.06 -64.59 -42.19 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 41 A H H 22.96 16.89 21.26 37.72 91.55 50.25 -63.85 -42.04 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 42 G H H 28.25 8.47 23.74 32.59 91.55 50.96 -63.21 -42.16 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 43 I H H 78.28 5.64 25.72 31.57 91.62 49.41 -64.07 -42.29 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 44 V H H 30.41 15.73 22.03 37.47 91.72 49.58 -64.39 -42.90 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 45 A H H 25.62 15.20 20.57 35.61 91.69 51.07 -63.27 -42.36 0.16 0.00 99.84 0.01 0.00 0.09 99.89 0.01 0.00 0.00 0.00 46 I H H 83.93 4.12 24.82 28.63 91.54 48.65 -63.56 -43.12 0.31 0.00 99.69 0.03 0.01 0.18 99.76 0.02 0.00 0.00 0.00 47 V H H 53.33 6.72 21.77 29.06 91.73 48.61 -64.27 -42.17 0.34 0.00 99.66 0.03 0.02 0.21 99.70 0.05 0.00 0.00 0.00 48 S H H 10.09 15.84 13.74 30.92 91.38 51.04 -63.70 -41.78 0.71 0.00 99.29 0.09 0.05 0.45 99.23 0.18 0.00 0.00 0.00 49 M H H 94.11 7.00 16.74 24.54 92.09 48.37 -65.18 -40.92 1.31 0.00 98.69 0.07 0.06 1.06 98.39 0.42 0.00 0.00 0.00 50 L H H 118.63 1.80 16.96 18.38 92.62 47.84 -67.49 -37.57 3.80 0.00 96.20 0.12 0.19 3.34 95.97 0.37 0.00 0.00 0.00 51 L H H 92.60 4.48 13.61 19.26 95.74 38.28 -94.26 -6.94 32.45 0.07 67.48 1.80 4.12 25.36 67.90 0.72 0.02 0.02 0.06 52 N C T 124.90 2.75 14.51 18.82 94.54 -129.64 54.62 43.11 99.39 0.04 0.57 28.08 4.28 67.17 0.30 0.13 0.00 0.02 0.02 53 T C C 49.37 8.57 12.01 22.40 123.08 145.24 -122.39 134.66 98.06 0.25 1.69 93.29 3.96 0.98 1.13 0.35 0.00 0.08 0.23 54 S H H 80.01 4.26 15.57 21.30 94.62 -151.18 -77.50 -19.04 46.82 0.29 52.89 15.53 9.40 21.90 29.18 23.66 0.01 0.12 0.20 55 A H H 61.45 4.54 17.24 22.68 92.23 76.76 -68.02 -26.09 37.29 0.43 62.28 8.66 4.93 22.50 37.80 25.64 0.03 0.23 0.20 56 F H H 46.41 15.57 13.96 29.69 92.98 59.57 -71.98 -31.11 16.39 0.78 82.83 6.08 1.85 7.84 61.28 22.18 0.01 0.59 0.17 57 L H H 55.23 13.50 15.86 29.60 92.08 61.76 -62.69 -41.19 2.61 0.02 97.36 0.95 0.34 1.20 95.84 1.65 0.00 0.01 0.01 58 D H H 87.82 2.67 22.22 24.10 91.83 51.22 -64.28 -40.64 1.14 0.00 98.86 0.35 0.11 0.59 98.40 0.55 0.00 0.00 0.00 59 V H H 54.82 7.99 20.41 29.17 91.90 50.17 -64.82 -42.33 0.42 0.00 99.57 0.10 0.03 0.23 99.36 0.27 0.00 0.00 0.00 60 I H H 19.78 20.03 16.19 36.11 91.66 50.43 -63.89 -42.46 0.15 0.00 99.85 0.02 0.01 0.08 99.79 0.09 0.00 0.00 0.00 61 L H H 74.37 8.81 21.12 30.37 91.62 50.58 -63.16 -41.76 0.11 0.00 99.89 0.01 0.00 0.07 99.86 0.05 0.00 0.00 0.00 62 L H H 91.61 2.77 23.96 25.70 91.57 49.28 -63.99 -42.41 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 63 I H H 41.06 13.55 20.21 34.03 91.66 48.77 -64.98 -41.97 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.04 0.00 0.00 0.00 64 G H H 10.10 18.19 17.64 35.80 91.37 51.65 -62.39 -42.16 0.31 0.00 99.69 0.02 0.01 0.22 99.67 0.07 0.00 0.00 0.00 65 I H H 92.79 3.96 24.33 27.86 91.52 49.27 -64.42 -42.12 0.85 0.00 99.15 0.04 0.03 0.72 99.06 0.15 0.00 0.00 0.00 66 L H H 79.78 5.37 23.60 28.86 91.76 49.36 -65.06 -41.29 1.04 0.00 98.96 0.09 0.06 0.77 98.86 0.22 0.00 0.00 0.00 67 A H H 13.38 18.29 17.30 35.95 92.11 51.17 -64.36 -41.43 1.98 0.00 98.02 0.21 0.11 1.48 97.82 0.37 0.00 0.00 0.00 68 F H H 82.51 11.46 21.64 32.93 91.92 50.02 -64.00 -41.97 2.29 0.01 97.70 0.22 0.14 1.78 97.42 0.43 0.00 0.00 0.00 69 V H H 85.27 2.74 24.71 26.46 91.74 49.12 -64.56 -42.33 1.34 0.00 98.65 0.20 0.11 0.89 98.38 0.41 0.00 0.00 0.00 70 G H H 19.81 9.96 20.17 31.00 92.08 50.68 -64.22 -41.83 2.02 0.01 97.97 0.36 0.17 1.29 97.61 0.57 0.00 0.00 0.00 71 T H H 27.95 15.66 18.90 34.59 92.30 50.11 -64.86 -41.95 2.57 0.02 97.41 0.45 0.23 1.72 96.86 0.71 0.01 0.01 0.01 72 V H H 69.20 6.14 22.24 28.69 91.83 49.73 -64.05 -42.01 2.18 0.05 97.77 0.46 0.23 1.38 97.08 0.80 0.01 0.03 0.01 73 A H H 50.13 4.12 21.49 25.66 91.57 50.55 -63.39 -42.46 3.21 0.13 96.66 0.76 0.32 2.06 95.48 1.23 0.01 0.11 0.02 74 F H H 70.42 9.93 19.24 29.73 92.09 49.60 -65.01 -41.48 5.16 0.32 94.51 1.17 0.55 3.47 92.72 1.73 0.02 0.32 0.04 75 A H H 27.22 10.26 16.25 28.13 91.65 51.74 -63.60 -40.53 7.75 0.61 91.64 2.21 1.02 4.65 88.93 2.46 0.03 0.63 0.07 76 K H H 104.03 3.37 18.17 21.80 92.12 51.52 -64.81 -40.83 11.92 1.28 86.81 3.70 1.71 6.99 82.95 3.16 0.08 1.22 0.19 77 F H H 100.53 4.42 15.27 20.52 92.36 50.42 -65.29 -40.59 13.37 2.06 84.57 5.44 2.21 6.69 79.69 3.65 0.10 1.91 0.31 78 L H H 85.23 6.44 13.38 21.11 93.05 49.10 -68.05 -37.69 16.06 2.14 81.80 6.22 2.91 8.17 76.12 4.20 0.19 1.76 0.43 79 E H H 118.25 4.13 12.72 17.97 94.51 48.38 -74.22 -29.97 24.56 1.50 73.94 6.93 4.23 14.37 68.89 3.92 0.19 1.06 0.42 80 K H H 147.42 1.65 13.02 14.85 97.48 42.27 -86.77 -4.75 43.05 1.05 55.90 10.28 7.48 25.70 52.49 3.02 0.08 0.56 0.40 81 G C C 50.01 3.60 11.53 16.74 102.91 -114.76 76.61 11.70 74.23 2.21 23.57 34.63 12.05 27.19 20.19 3.91 0.01 1.46 0.56 82 V C C 84.58 5.57 10.86 18.20 116.42 134.92 -97.90 129.74 63.55 8.51 27.93 46.44 9.55 6.67 24.87 4.25 0.02 6.72 1.49 83 V C C 89.71 5.66 11.47 18.88 114.60 -163.21 -100.10 126.66 58.27 13.42 28.30 44.65 7.51 5.23 24.69 4.50 0.04 11.37 2.01 84 I C C 93.51 6.76 10.52 18.88 116.29 -156.42 -102.93 128.57 60.09 13.15 26.76 46.20 7.51 5.41 23.10 4.59 0.03 11.16 2.01 85 E C C 119.52 4.53 11.06 17.40 114.24 -156.41 -97.08 126.90 69.83 8.11 22.06 53.82 8.20 6.64 18.97 4.25 0.01 6.53 1.58 86 R C C 146.03 4.61 9.68 16.06 110.48 -156.91 -92.83 114.79 75.40 3.51 21.09 49.74 12.75 12.47 15.92 5.68 0.01 2.31 1.11 87 G C C 49.50 3.47 10.51 15.44 107.83 -1.07 67.63 -6.75 77.25 1.01 21.75 33.03 16.93 27.70 8.77 12.52 0.00 0.49 0.55 88 N C T 118.92 2.51 9.17 13.08 103.36 28.95 -83.45 14.70 77.22 0.94 21.84 28.91 18.03 30.86 6.66 14.51 0.00 0.44 0.58 89 D C C 103.28 3.24 8.37 13.27 102.49 89.11 -88.20 28.09 83.17 0.86 15.97 57.79 6.35 19.70 5.05 10.19 0.00 0.43 0.50 90 R C C 163.38 3.10 10.92 15.70 102.80 102.06 -80.74 32.90 99.56 0.07 0.37 98.59 0.52 0.57 0.11 0.16 0.00 0.03 0.03