# 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 S C C 91.30 1.62 11.23 13.94 115.76 -153.81 -103.54 131.08 99.81 0.18 0.01 99.75 0.10 0.03 0.00 0.00 0.00 0.10 0.02 1 V C C 104.34 4.52 6.67 13.17 118.97 -163.54 -109.04 131.53 82.08 15.89 2.03 79.87 1.09 1.37 0.91 0.66 0.00 13.56 2.54 2 S C C 89.70 1.22 9.49 11.78 119.37 -154.10 -102.08 136.64 72.40 25.14 2.45 62.10 6.15 2.67 1.08 1.31 0.00 23.28 3.41 3 V C C 111.76 3.68 6.68 12.68 118.01 -155.91 -107.26 131.19 69.93 26.69 3.38 57.70 8.21 2.69 1.77 1.68 0.00 24.11 3.82 4 Q C C 132.77 1.90 9.38 12.98 119.26 -160.31 -105.30 138.06 75.74 21.09 3.17 62.84 8.68 3.05 1.37 1.68 0.00 20.19 2.18 5 T C C 107.49 2.26 8.49 12.84 117.17 -139.03 -95.88 136.29 79.14 17.12 3.75 62.76 10.69 4.96 1.52 2.17 0.00 15.42 2.49 6 H C C 132.85 3.58 7.69 13.17 113.86 -161.83 -104.05 124.28 84.06 11.83 4.11 63.83 13.29 6.57 1.91 2.21 0.00 9.11 3.08 7 G C C 50.84 2.51 9.86 13.67 116.96 -126.87 -60.72 -53.64 83.72 4.32 11.96 51.82 19.05 13.33 4.72 6.97 0.00 2.74 1.37 8 E C C 156.79 1.46 10.06 12.19 102.52 -61.78 -81.95 -1.34 68.14 3.22 28.64 29.96 17.61 21.60 11.82 15.85 0.03 1.77 1.36 9 S C C 80.44 3.05 8.65 13.42 112.42 68.78 -100.78 122.33 61.96 4.68 33.35 29.63 14.65 18.70 13.89 18.64 0.06 2.77 1.66 10 S C C 80.43 3.04 9.52 14.25 111.17 59.37 -97.20 109.08 57.20 9.38 33.43 33.44 12.47 11.96 17.53 15.71 0.08 6.55 2.25 11 L C C 115.11 3.41 9.54 14.65 112.96 -134.55 -96.20 119.72 53.17 18.70 28.13 35.02 10.26 8.22 19.59 8.83 0.14 14.27 3.67 12 V C C 86.78 6.04 9.01 16.72 116.46 -159.67 -98.64 131.84 57.91 19.95 22.14 37.91 11.86 8.05 17.62 5.35 0.16 14.63 4.43 13 N C C 92.84 3.81 10.82 16.20 115.23 -150.71 -97.04 138.79 73.41 11.73 14.86 49.68 14.65 8.54 11.45 4.18 0.02 8.71 2.77 14 K C T 144.14 3.49 9.71 15.09 95.52 -130.10 -68.89 -22.24 67.84 3.93 28.23 25.35 15.60 27.81 16.14 11.24 0.07 2.45 1.34 15 T C T 105.55 1.59 11.50 13.55 96.73 60.13 -80.70 -14.01 69.39 2.40 28.22 19.81 17.27 32.96 14.98 12.47 0.05 1.38 1.08 16 E C C 104.50 5.16 9.74 16.53 103.84 72.69 -82.08 30.77 67.39 3.89 28.73 33.23 17.80 16.99 14.18 14.03 0.04 2.06 1.68 17 T C C 85.71 3.97 11.29 16.75 98.67 59.59 -75.33 -27.13 62.59 7.81 29.59 34.35 13.61 15.18 15.12 14.27 0.06 5.00 2.41 18 W C C 151.27 4.26 12.07 17.64 99.16 56.31 -78.27 -23.09 55.83 16.06 28.11 26.58 13.92 16.84 14.54 12.82 0.27 11.09 3.95 19 L C C 79.16 8.01 10.71 19.93 102.79 58.86 -83.73 7.55 59.76 16.79 23.44 35.27 13.77 11.10 13.93 9.58 0.15 11.60 4.60 20 D C C 88.31 4.54 12.87 18.74 106.95 66.38 -88.35 38.66 78.24 8.59 13.16 58.29 11.22 7.91 9.97 3.98 0.01 6.01 2.60 21 S C H 63.74 4.70 12.06 18.07 105.05 56.59 -81.75 -34.25 57.81 1.99 40.19 17.17 20.10 21.80 32.33 6.59 0.12 1.04 0.86 22 T C H 94.91 2.52 13.49 16.52 96.16 41.29 -72.80 -31.18 52.08 1.03 46.90 9.02 12.72 30.66 39.93 6.44 0.17 0.54 0.50 23 K H H 115.00 3.68 14.43 18.93 96.49 53.19 -73.70 -33.52 42.38 2.81 54.81 14.50 8.59 21.08 46.10 6.82 0.20 1.76 0.94 24 A H H 37.72 9.19 11.51 22.21 94.19 61.13 -64.99 -38.99 23.22 3.75 73.03 15.89 4.17 5.43 65.29 5.51 0.05 2.97 0.69 25 T H H 70.84 5.38 15.01 21.61 93.43 54.41 -66.98 -39.04 14.25 6.93 78.82 9.23 2.31 3.94 70.93 5.86 0.05 7.06 0.62 26 R H H 138.99 2.49 16.96 19.46 93.01 52.22 -66.77 -39.22 11.03 8.03 80.94 6.31 1.86 3.75 73.10 5.90 0.07 8.48 0.54 27 Y H H 102.70 6.81 15.53 23.41 93.50 49.80 -68.32 -39.13 11.82 8.95 79.23 6.51 2.06 4.16 72.63 4.91 0.09 8.91 0.74 28 L H H 60.27 10.53 14.02 25.39 94.50 51.02 -68.85 -38.38 15.76 8.84 75.40 9.76 2.64 4.29 70.74 3.36 0.06 8.32 0.82 29 M H H 94.41 4.51 16.73 21.99 94.19 55.19 -67.32 -39.98 20.51 7.86 71.64 12.89 3.38 5.09 67.23 3.22 0.05 7.33 0.82 30 K H H 110.23 3.77 17.80 21.73 93.88 51.41 -68.62 -38.30 23.48 6.08 70.44 13.91 3.90 6.89 65.25 3.81 0.07 5.28 0.90 31 T H H 47.37 10.20 15.23 26.29 94.76 50.87 -70.58 -38.35 23.61 3.15 73.24 13.02 4.59 7.93 66.26 5.05 0.09 2.29 0.76 32 E H H 80.64 9.28 15.66 25.63 93.82 54.65 -68.46 -35.67 24.61 2.60 72.78 10.03 4.95 11.29 64.79 6.24 0.19 1.74 0.77 33 N H H 86.52 3.82 17.21 21.44 94.01 53.52 -69.54 -34.04 30.45 1.42 68.13 9.17 5.22 17.35 60.04 6.65 0.19 0.85 0.54 34 W H H 108.95 6.35 15.58 23.11 94.51 53.71 -68.66 -37.23 26.80 2.44 70.76 8.20 4.84 15.07 59.37 9.75 0.30 1.71 0.75 35 I H H 54.05 12.01 13.03 25.67 94.28 52.37 -68.93 -38.54 25.89 4.33 69.79 7.12 4.97 14.87 56.64 11.28 0.69 3.36 1.07 36 I H H 93.85 6.03 14.50 21.64 94.61 50.32 -73.72 -32.79 34.04 4.92 61.04 7.80 5.84 21.03 49.94 9.94 0.51 3.94 1.00 37 R H H 163.27 1.96 16.22 18.08 95.30 49.13 -79.11 -25.07 47.48 2.91 49.61 8.97 10.80 28.77 41.92 6.16 0.34 2.23 0.80 38 N C C 66.67 7.40 13.24 22.24 111.00 40.89 -125.03 88.82 97.78 0.77 1.45 76.75 20.02 0.94 1.36 0.23 0.00 0.34 0.37 39 P H H 70.90 9.83 13.53 24.75 93.62 -176.40 -63.00 -32.79 15.86 0.08 84.06 2.71 1.51 11.40 82.01 2.27 0.02 0.03 0.04 40 G H H 38.11 3.99 19.01 23.46 92.03 56.85 -63.25 -39.30 8.16 0.04 91.80 1.06 0.67 6.22 90.04 1.95 0.02 0.02 0.02 41 Y H H 81.89 9.33 19.25 29.33 92.05 51.25 -66.01 -39.73 2.01 0.03 97.96 0.62 0.23 1.11 96.26 1.75 0.01 0.01 0.01 42 A H H 14.90 18.18 15.99 34.36 91.56 53.20 -62.62 -42.46 1.02 0.01 98.96 0.38 0.12 0.51 98.41 0.56 0.00 0.01 0.01 43 F H H 101.15 7.18 22.91 30.24 91.61 50.13 -64.45 -41.51 0.60 0.01 99.40 0.22 0.06 0.28 99.24 0.19 0.00 0.00 0.00 44 L H H 84.65 4.03 24.80 28.48 91.49 49.65 -64.07 -42.39 0.32 0.00 99.67 0.09 0.02 0.18 99.62 0.09 0.00 0.00 0.00 45 A H H 19.09 15.48 20.40 36.14 91.31 50.27 -63.70 -41.90 0.29 0.00 99.71 0.05 0.02 0.18 99.68 0.07 0.00 0.00 0.00 46 A H H 21.53 16.85 19.91 36.46 91.51 51.19 -63.21 -42.36 0.32 0.00 99.68 0.04 0.01 0.20 99.69 0.06 0.00 0.00 0.00 47 V H H 74.58 4.61 24.89 29.14 91.35 50.18 -63.51 -42.62 0.47 0.00 99.53 0.04 0.02 0.34 99.53 0.07 0.00 0.00 0.00 48 L H H 67.18 6.41 23.34 30.22 91.46 49.51 -63.83 -42.21 0.43 0.00 99.57 0.04 0.02 0.32 99.41 0.21 0.00 0.00 0.00 49 G H H 6.57 17.88 15.65 34.21 91.13 51.56 -62.78 -41.60 0.53 0.00 99.47 0.04 0.03 0.41 99.06 0.47 0.00 0.00 0.00 50 W H H 112.64 10.34 18.32 29.04 91.78 51.97 -64.61 -38.83 1.15 0.00 98.85 0.06 0.05 0.99 97.85 1.04 0.00 0.00 0.00 51 M H H 124.14 2.74 19.80 22.34 92.22 52.09 -69.29 -29.77 4.07 0.00 95.93 0.12 0.17 3.86 94.90 0.92 0.01 0.00 0.00 52 L H H 84.91 7.31 15.86 24.09 96.25 49.87 -86.07 -13.50 22.34 0.16 77.50 1.45 2.49 18.62 76.04 1.15 0.09 0.05 0.11 53 G C C 31.18 10.51 13.00 24.08 121.67 76.42 64.48 157.11 87.47 1.57 10.95 44.79 12.66 29.62 9.89 1.48 0.00 0.58 0.98 54 S C S 79.41 4.03 15.53 20.56 103.59 -113.76 -87.75 -17.57 95.61 1.61 2.78 32.77 46.48 16.70 1.33 1.19 0.00 0.71 0.82 55 N C S 85.12 5.43 16.95 23.14 119.92 26.14 -115.53 131.10 95.75 1.23 3.02 38.64 43.91 13.37 1.54 1.28 0.00 0.48 0.79 56 N H H 83.59 10.61 14.86 25.73 96.18 -141.82 -68.58 -31.57 38.72 0.48 60.80 13.04 20.10 7.08 57.57 1.76 0.02 0.11 0.31 57 G H H 36.46 6.79 18.03 25.10 92.80 57.31 -63.83 -41.38 13.68 0.09 86.23 3.42 2.77 7.58 84.49 1.63 0.02 0.03 0.05 58 Q H H 73.36 8.16 18.84 27.70 92.45 50.98 -65.89 -40.49 5.95 0.08 93.97 2.59 0.86 2.62 92.58 1.26 0.00 0.04 0.04 59 R H H 57.41 14.60 17.13 31.78 92.14 52.04 -64.10 -41.83 1.13 0.01 98.85 0.48 0.15 0.47 98.56 0.33 0.00 0.01 0.00 60 V H H 49.94 11.10 19.76 30.98 91.98 50.81 -63.98 -42.31 0.23 0.00 99.77 0.08 0.02 0.10 99.73 0.07 0.00 0.00 0.00 61 V H H 69.62 5.75 22.21 28.12 91.62 50.11 -63.88 -42.78 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 62 F H H 68.36 10.50 20.98 31.91 91.89 49.32 -64.27 -42.68 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 63 T H H 28.56 15.14 18.82 34.22 92.08 49.85 -63.75 -42.53 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 64 I H H 67.84 8.74 20.48 29.33 91.63 50.81 -63.28 -42.54 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 65 L H H 76.81 5.76 20.68 27.00 91.77 49.93 -64.32 -41.97 0.07 0.00 99.93 0.00 0.00 0.05 99.90 0.05 0.00 0.00 0.00 66 L H H 49.19 12.63 17.63 30.71 92.08 50.55 -65.05 -41.13 0.20 0.00 99.80 0.01 0.01 0.17 99.59 0.23 0.00 0.00 0.00 67 L H H 56.68 12.74 16.34 29.37 91.71 50.93 -66.33 -36.52 1.75 0.00 98.24 0.04 0.04 1.74 97.40 0.78 0.00 0.00 0.00 68 L H H 99.72 5.03 17.35 22.90 92.13 53.96 -69.82 -26.67 13.36 0.02 86.61 0.30 0.46 13.14 84.96 1.10 0.02 0.01 0.01 69 V H H 88.60 5.19 15.63 21.50 96.70 48.59 -88.54 -12.16 32.90 0.55 66.55 2.65 4.65 25.97 64.46 1.51 0.22 0.20 0.34 70 A C S 35.81 13.91 9.32 23.21 116.53 93.94 -82.50 143.62 81.63 3.18 15.19 32.06 42.15 7.91 11.54 3.34 0.03 1.30 1.67 71 P C C 84.61 4.45 13.47 19.21 111.39 -105.03 -66.96 147.20 84.34 2.76 12.90 56.87 10.47 17.49 6.11 6.24 0.00 1.65 1.17 72 A C C 77.14 5.00 11.24 17.88 106.96 -110.56 -75.16 122.34 87.25 2.46 10.29 73.34 2.35 13.17 4.69 3.80 0.00 1.41 1.24 73 Y C C 140.35 6.75 12.56 20.47 106.15 80.79 -90.68 63.91 99.84 0.12 0.05 99.69 0.12 0.10 0.02 0.00 0.00 0.06 0.02