# 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 Y C C 134.68 6.78 12.66 20.69 114.31 -153.64 -96.78 123.63 99.33 0.62 0.05 99.26 0.20 0.10 0.02 0.01 0.00 0.34 0.08 1 L C C 107.66 4.99 10.26 16.82 108.60 -165.24 -90.40 93.42 84.57 6.43 9.00 70.35 3.52 10.54 6.60 2.20 0.00 4.17 2.63 2 G C C 48.68 3.21 11.06 15.56 110.85 23.71 -46.12 -41.29 80.94 3.92 15.14 39.83 23.68 17.88 11.41 3.62 0.02 2.02 1.54 3 S C C 76.07 2.92 10.97 15.11 103.74 -28.51 -79.08 -3.95 68.06 1.42 30.52 35.94 21.27 10.77 27.28 3.48 0.02 0.58 0.68 4 T H H 88.40 3.02 12.89 16.80 100.11 48.24 -73.61 -25.71 45.51 0.70 53.79 27.64 10.32 7.40 52.11 1.95 0.01 0.27 0.32 5 T H H 62.43 8.02 12.65 21.76 95.32 64.55 -67.19 -38.76 10.68 0.12 89.20 5.45 2.01 3.29 88.10 1.06 0.00 0.05 0.04 6 N H H 72.67 8.31 14.20 23.47 93.52 54.18 -66.21 -38.82 4.55 0.06 95.39 2.15 0.67 1.76 94.63 0.75 0.00 0.03 0.02 7 Q H H 105.93 2.55 17.34 19.88 92.46 51.03 -66.04 -40.26 1.79 0.03 98.17 0.75 0.24 0.80 97.72 0.47 0.00 0.02 0.01 8 I H H 80.49 4.63 17.32 22.74 92.51 49.94 -65.16 -42.29 0.66 0.01 99.33 0.24 0.07 0.30 99.19 0.19 0.00 0.01 0.00 9 M H H 56.04 12.17 15.55 28.48 92.47 49.69 -65.12 -41.98 0.50 0.01 99.49 0.15 0.04 0.25 99.42 0.14 0.00 0.00 0.00 10 V H H 68.05 6.52 17.78 25.31 92.15 49.81 -64.40 -41.57 0.64 0.01 99.35 0.13 0.05 0.37 99.27 0.17 0.00 0.00 0.00 11 L H H 97.05 2.06 20.94 21.63 92.06 49.05 -65.25 -41.43 0.82 0.00 99.18 0.11 0.05 0.54 99.10 0.19 0.00 0.00 0.00 12 S H H 39.95 7.92 18.07 26.99 92.53 49.57 -66.08 -41.04 2.86 0.01 97.13 0.27 0.17 2.21 96.95 0.39 0.00 0.00 0.00 13 T H H 35.24 14.04 16.37 30.71 92.35 50.64 -65.35 -41.15 10.03 0.02 89.95 0.47 0.55 9.05 89.31 0.60 0.02 0.01 0.01 14 F H H 112.28 4.20 20.19 24.65 92.01 50.73 -64.23 -41.06 6.81 0.02 93.17 0.51 0.58 5.62 92.75 0.51 0.01 0.01 0.01 15 L H H 92.75 2.67 21.05 22.98 91.99 49.74 -64.59 -41.89 2.24 0.02 97.73 0.57 0.28 1.36 96.16 1.61 0.00 0.01 0.01 16 P H H 39.82 11.50 16.94 29.29 92.08 49.98 -64.56 -41.55 1.38 0.02 98.59 0.29 0.13 0.89 96.18 2.50 0.00 0.02 0.00 17 L H H 66.21 9.97 17.73 28.32 91.97 50.17 -63.98 -41.62 1.06 0.03 98.92 0.15 0.09 0.75 96.75 2.23 0.01 0.02 0.00 18 V H H 85.77 2.43 20.20 21.81 91.93 49.66 -64.35 -41.96 2.38 0.15 97.47 0.34 0.26 1.81 95.58 1.84 0.03 0.11 0.03 19 A H H 52.36 4.45 18.11 23.18 92.02 50.32 -65.11 -39.96 4.64 0.15 95.22 0.75 0.54 3.38 92.90 2.26 0.04 0.09 0.04 20 G H H 19.53 12.23 13.99 27.14 92.69 53.02 -65.09 -39.58 9.64 0.17 90.20 1.38 1.00 7.21 83.95 6.23 0.08 0.11 0.06 21 R H H 128.48 6.10 16.77 23.84 93.25 51.62 -68.05 -33.16 13.04 0.22 86.74 1.45 1.25 10.34 79.88 6.73 0.11 0.14 0.09 22 F H H 141.04 2.48 16.88 19.48 96.62 44.46 -81.92 -25.39 21.76 0.66 77.58 3.10 2.87 16.48 69.73 6.83 0.30 0.37 0.31 23 G H H 40.77 6.32 14.76 21.99 100.50 50.99 -81.79 -18.51 46.38 1.83 51.79 8.11 6.97 32.10 45.39 5.25 0.35 0.94 0.88 24 L C T 86.16 8.23 13.27 22.38 105.06 48.71 -94.27 12.53 64.88 6.67 28.45 21.66 21.38 23.89 21.46 4.93 0.45 2.78 3.45 25 A C C 51.42 8.54 12.10 21.99 116.63 109.69 -82.80 143.74 77.74 4.43 17.83 34.32 27.22 17.08 9.61 7.48 0.06 2.00 2.23 26 P C T 87.61 4.90 13.30 19.55 103.93 -84.29 -68.21 101.42 77.48 1.53 20.99 28.99 17.67 31.55 9.60 10.60 0.01 0.71 0.86 27 T C C 91.84 4.57 12.38 18.35 102.46 59.10 -84.87 8.63 69.58 3.34 27.07 28.93 15.35 26.27 12.64 13.40 0.07 1.58 1.77 28 S C C 63.77 6.79 11.62 19.74 109.83 85.76 -90.84 113.73 67.80 4.67 27.52 31.61 19.19 17.94 14.61 12.02 0.10 2.26 2.25 29 T C C 83.63 6.26 12.77 20.39 111.66 -143.86 -96.83 113.54 68.76 4.66 26.58 41.01 16.02 11.95 15.55 10.89 0.03 2.35 2.20 30 R C C 126.96 7.41 12.95 21.66 115.51 -155.95 -93.05 134.72 66.57 4.04 29.39 35.27 13.99 17.83 17.13 11.79 0.05 2.23 1.71 31 H C C 107.49 7.50 13.24 21.83 112.69 -144.90 -93.97 124.91 67.81 5.62 26.56 38.00 12.23 18.05 15.46 10.58 0.06 2.98 2.64 32 T C C 66.47 9.87 11.68 22.23 108.97 -155.99 -93.19 85.68 64.02 4.75 31.23 39.12 12.91 12.54 19.01 11.67 0.05 2.37 2.33 33 N C C 108.81 4.03 14.26 19.42 103.57 60.65 -82.06 -2.57 65.76 2.65 31.59 32.19 13.88 20.59 15.53 15.11 0.03 1.33 1.34 34 Q C C 121.97 4.79 13.68 19.72 102.55 58.97 -83.35 -2.92 68.77 2.47 28.77 29.03 16.05 24.65 12.63 15.08 0.03 1.21 1.30 35 S C C 62.47 7.91 13.42 22.23 107.36 81.84 -90.53 79.16 75.60 4.38 20.02 39.19 16.37 20.70 8.95 10.46 0.03 2.35 1.95 36 G C C 32.40 9.64 15.07 25.37 121.28 82.18 141.19 -174.84 83.75 11.65 4.60 51.25 22.66 10.06 1.62 3.03 0.01 7.03 4.32 37 I C C 65.62 13.75 13.61 27.44 119.94 -71.66 -100.67 135.41 73.29 24.75 1.96 58.38 11.24 2.46 0.92 1.23 0.00 17.84 7.91 38 K C C 124.94 5.26 19.25 25.55 113.69 -130.67 -84.17 132.23 71.05 27.08 1.87 58.02 9.19 2.62 0.84 1.20 0.00 20.47 7.65 39 L C C 73.66 13.49 12.09 25.57 115.94 -137.54 -90.27 130.34 82.02 16.07 1.91 63.85 14.97 2.77 0.89 1.17 0.00 10.57 5.78 40 L C C 79.63 6.95 13.66 22.19 120.17 -149.99 -102.31 140.42 90.20 8.04 1.76 75.17 13.40 1.70 0.93 0.83 0.00 5.58 2.39 41 P C C 87.49 4.84 13.20 19.43 108.36 -108.71 -68.25 142.10 83.37 4.62 12.01 63.41 11.56 8.51 5.49 6.45 0.00 3.05 1.53 42 A C C 65.11 6.13 10.56 18.13 110.78 -132.07 -83.15 141.37 70.46 3.92 25.63 44.16 14.05 12.38 10.42 15.16 0.01 2.22 1.60 43 E C C 139.48 2.61 11.75 15.54 101.10 -117.24 -77.64 -17.25 60.58 5.55 33.87 32.96 13.21 14.88 14.09 19.52 0.04 3.37 1.94 44 K C C 136.26 3.61 10.77 15.79 104.24 55.70 -89.08 19.63 57.93 8.88 33.19 31.43 12.43 14.89 13.91 18.80 0.09 5.55 2.89 45 S C C 56.23 7.67 8.75 17.61 110.45 67.78 -100.11 102.79 64.24 9.44 26.31 38.29 12.64 13.70 11.27 14.76 0.07 5.38 3.88 46 A C T 89.87 1.97 11.48 14.57 102.21 -101.59 -70.86 41.60 82.68 1.60 15.72 13.53 15.51 53.68 4.93 10.53 0.01 0.90 0.91 47 G C T 58.79 2.07 13.03 15.64 100.26 -2.27 81.86 -1.09 88.17 1.88 9.96 14.01 19.20 55.19 1.99 7.68 0.00 1.18 0.74 48 L C C 81.22 8.71 9.85 19.70 115.52 104.98 -94.82 131.50 70.35 22.50 7.15 44.62 14.51 11.55 1.98 5.61 0.04 15.96 5.72 49 V C C 95.04 5.24 14.17 21.08 118.58 -170.87 -109.34 133.84 65.41 31.37 3.22 45.34 13.96 5.35 1.33 2.26 0.04 22.58 9.14 50 S C C 44.78 12.06 10.83 23.30 120.90 -154.83 -103.65 148.95 74.97 23.10 1.93 55.47 12.80 5.76 0.66 1.45 0.00 17.95 5.91 51 N C C 122.32 2.77 16.31 19.92 99.36 -144.77 -90.65 8.62 89.61 9.64 0.75 44.89 40.07 5.35 0.16 0.66 0.00 6.86 2.01 52 D C C 63.36 9.83 11.94 23.05 113.02 112.60 -92.33 121.59 94.80 4.87 0.33 65.45 27.96 1.61 0.09 0.27 0.00 2.75 1.86 53 P C C 89.69 5.88 14.95 22.29 96.85 -140.94 -69.72 -14.45 94.11 3.00 2.89 41.55 19.06 33.70 0.38 2.63 0.00 1.80 0.87 54 A C T 59.55 8.08 16.93 25.61 105.11 77.17 -87.63 24.77 91.17 5.49 3.34 29.23 24.28 38.12 0.45 3.02 0.00 3.26 1.65 55 G C C 22.20 13.02 18.53 31.45 127.35 -122.54 94.36 175.39 89.70 8.95 1.35 61.27 22.31 6.15 0.27 1.31 0.00 5.94 2.75 56 F C C 33.04 21.19 15.83 36.26 119.49 -86.98 -100.77 138.14 62.77 36.89 0.34 57.37 4.11 0.26 0.24 0.12 0.00 12.76 25.15 57 N C C 53.22 8.64 24.14 32.75 128.50 -153.71 -103.18 172.39 80.42 19.07 0.51 76.78 4.02 0.15 0.51 0.07 0.00 7.44 11.04 58 A H H 47.69 14.11 18.51 32.47 90.68 -94.42 -59.34 -38.04 0.75 0.00 99.25 0.07 0.08 0.48 99.22 0.14 0.00 0.00 0.00 59 V H H 78.62 5.64 23.40 29.36 91.74 52.78 -64.39 -41.18 0.20 0.00 99.80 0.02 0.01 0.13 99.74 0.10 0.00 0.00 0.00 60 D H H 34.91 14.51 21.49 35.90 91.81 49.85 -65.04 -41.14 0.05 0.00 99.95 0.00 0.00 0.03 99.91 0.06 0.00 0.00 0.00 61 V H H 17.98 20.97 20.74 40.81 92.08 49.56 -64.44 -43.11 0.02 0.00 99.98 0.00 0.00 0.01 99.97 0.02 0.00 0.00 0.00 62 L H H 63.25 11.75 24.59 36.11 91.86 49.36 -63.62 -42.38 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 63 A H H 45.35 7.11 25.93 33.38 91.56 49.50 -63.89 -42.19 0.20 0.00 99.80 0.01 0.00 0.16 99.79 0.04 0.00 0.00 0.00 64 L H H 37.84 15.05 24.57 39.15 91.98 48.48 -64.98 -41.62 0.94 0.00 99.06 0.02 0.02 0.81 99.01 0.13 0.00 0.00 0.00 65 G H H 10.54 19.34 22.33 40.79 92.03 51.54 -63.55 -41.80 3.84 0.00 96.16 0.13 0.15 3.27 96.21 0.23 0.00 0.00 0.00 66 A H H 42.29 9.33 25.30 34.96 91.85 50.17 -63.85 -42.27 2.96 0.00 97.04 0.21 0.17 2.41 96.93 0.28 0.00 0.00 0.00 67 L H H 75.82 5.98 27.00 33.08 91.59 49.34 -64.08 -42.39 0.69 0.00 99.31 0.10 0.06 0.43 99.26 0.15 0.00 0.00 0.00 68 G H H 11.99 16.14 21.56 37.64 91.78 50.84 -63.85 -42.11 0.47 0.00 99.53 0.07 0.03 0.30 99.49 0.11 0.00 0.00 0.00 69 H H H 53.41 16.30 21.83 37.15 91.81 51.07 -63.73 -41.83 0.44 0.00 99.55 0.06 0.03 0.31 99.48 0.12 0.00 0.00 0.00 70 I H H 88.52 5.58 25.18 30.77 91.71 49.22 -63.77 -42.67 0.26 0.00 99.74 0.03 0.01 0.18 99.71 0.07 0.00 0.00 0.00 71 L H H 77.61 6.05 25.03 31.01 91.82 47.92 -64.42 -42.03 0.31 0.00 99.69 0.03 0.01 0.21 99.69 0.06 0.00 0.00 0.00 72 G H H 10.88 16.72 19.28 36.25 92.02 50.73 -64.26 -42.05 0.48 0.00 99.52 0.03 0.02 0.34 99.55 0.07 0.00 0.00 0.00 73 C H H 45.38 11.60 21.10 32.85 91.63 50.77 -63.34 -42.28 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 74 G H H 36.90 3.83 23.45 26.73 91.61 50.26 -64.03 -42.11 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.04 0.00 0.00 0.00 75 I H H 67.44 8.23 21.45 29.93 91.99 48.78 -64.78 -42.27 0.25 0.00 99.75 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 76 V H H 34.06 14.94 17.97 33.16 91.90 48.93 -63.97 -43.06 0.34 0.00 99.65 0.03 0.02 0.23 99.64 0.08 0.00 0.00 0.00 77 L H H 79.29 4.94 20.35 25.80 91.56 49.33 -63.25 -41.93 0.90 0.00 99.09 0.09 0.05 0.64 98.95 0.26 0.00 0.00 0.00 78 G H H 34.20 3.13 18.78 21.94 91.63 50.37 -63.83 -41.31 3.99 0.01 96.00 0.30 0.23 3.27 95.37 0.81 0.01 0.00 0.00 79 L H H 52.50 9.00 14.59 25.10 92.36 49.76 -66.37 -39.69 8.72 0.05 91.24 0.94 0.82 6.88 89.76 1.51 0.03 0.02 0.02 80 K H H 104.25 7.40 13.71 22.27 92.61 52.52 -65.05 -39.09 17.02 0.28 82.70 3.32 2.56 12.16 78.61 2.95 0.13 0.12 0.16 81 S H H 85.88 1.46 13.78 15.28 92.63 52.93 -69.53 -24.64 35.25 0.47 64.28 5.12 4.56 26.38 59.54 3.75 0.15 0.21 0.28 82 T C T 94.10 2.26 11.74 14.81 95.85 51.23 -86.69 -2.00 67.12 0.55 32.32 4.40 8.17 53.14 29.25 4.32 0.07 0.24 0.41 83 G C T 57.32 2.19 11.80 15.28 97.65 -105.47 80.16 9.20 86.65 0.85 12.50 12.94 13.16 60.61 9.46 2.95 0.01 0.41 0.47 84 N C C 100.63 4.17 11.40 17.27 102.87 116.87 -86.69 10.80 95.47 1.39 3.14 83.47 2.23 10.28 1.67 0.87 0.00 0.76 0.73 85 L C C 80.26 11.89 11.61 23.37 107.17 83.97 -88.24 88.07 99.68 0.31 0.02 99.64 0.13 0.03 0.01 0.00 0.00 0.16 0.04