# 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 P C C 56.16 9.99 17.13 27.78 108.91 -117.48 -71.25 136.92 99.72 0.12 0.17 99.35 0.25 0.21 0.10 0.01 0.00 0.04 0.04 1 F C C 81.13 11.77 13.31 25.28 99.98 -131.06 -78.21 -8.81 69.38 5.41 25.22 58.66 2.91 6.97 23.73 2.27 0.00 2.14 3.31 2 F H H 109.27 6.20 12.60 20.22 95.17 77.95 -67.38 -36.06 34.23 2.04 63.73 18.14 6.70 11.61 58.41 3.16 0.10 1.00 0.89 3 D H H 86.40 2.79 14.52 17.92 94.83 54.70 -69.88 -31.92 17.98 0.51 81.51 8.82 3.13 7.41 76.90 3.22 0.03 0.30 0.19 4 V H H 52.33 7.35 12.53 21.74 93.84 55.90 -66.83 -39.99 5.39 0.22 94.40 1.97 0.91 2.92 90.33 3.63 0.03 0.15 0.05 5 Q H H 54.73 10.44 10.91 22.58 92.86 53.69 -64.98 -39.57 3.04 0.15 96.81 0.97 0.43 1.75 92.96 3.73 0.01 0.12 0.03 6 K H H 141.89 1.79 14.25 16.49 92.79 52.33 -65.38 -38.83 3.65 0.11 96.24 0.85 0.42 2.34 91.42 4.84 0.02 0.09 0.02 7 K H H 136.99 2.46 13.39 16.82 92.46 52.64 -67.30 -31.78 10.64 0.11 89.25 1.00 0.87 8.66 84.81 4.50 0.05 0.07 0.05 8 L H H 76.79 8.10 11.30 20.80 95.73 45.75 -91.34 -1.75 47.07 0.20 52.73 1.41 2.71 42.45 49.25 3.87 0.07 0.08 0.15 9 G C T 59.30 1.30 16.55 17.26 95.90 -113.74 74.85 18.53 99.55 0.06 0.39 10.44 3.25 86.00 0.16 0.10 0.00 0.03 0.02 10 V C C 44.72 13.12 9.19 22.98 117.06 139.43 -98.07 131.99 97.92 1.55 0.52 92.47 4.87 0.63 0.30 0.16 0.00 0.65 0.93 11 D C C 85.76 3.74 18.40 22.66 108.97 -137.72 -91.03 107.51 97.55 1.51 0.94 95.95 1.22 0.67 0.58 0.16 0.00 0.59 0.84 12 L H H 48.66 15.59 12.44 28.08 96.17 -172.97 -74.60 -25.54 44.86 1.11 54.03 33.13 5.51 8.09 46.13 6.02 0.02 0.47 0.63 13 D H H 75.83 6.10 16.19 23.56 93.00 71.56 -64.27 -37.50 15.92 0.30 83.79 3.37 2.25 10.51 71.31 12.17 0.09 0.17 0.12 14 H H H 107.58 3.83 17.71 22.14 92.93 51.79 -66.98 -38.57 10.37 0.20 89.43 1.95 1.22 6.91 75.52 14.16 0.05 0.13 0.06 15 W H H 72.23 12.38 14.87 27.89 92.90 51.77 -66.29 -40.81 7.70 0.26 92.05 2.16 1.09 4.49 80.26 11.71 0.04 0.18 0.07 16 M H H 67.51 11.13 15.92 27.64 92.69 50.82 -66.57 -39.58 9.28 0.89 89.83 3.63 1.67 4.98 81.68 7.08 0.11 0.60 0.24 17 T H H 71.74 4.88 18.30 23.82 93.32 49.99 -69.03 -39.40 12.84 1.24 85.91 4.83 2.37 6.95 78.60 5.90 0.13 0.88 0.33 18 I H H 77.35 7.40 17.81 25.99 95.98 46.41 -72.89 -37.35 14.32 1.06 84.63 4.66 2.66 8.19 76.24 7.02 0.18 0.75 0.30 19 Q H H 57.33 13.41 15.50 29.03 95.39 54.53 -72.26 -28.43 22.56 1.22 76.21 6.39 4.08 13.54 67.05 7.46 0.25 0.76 0.47 20 S H H 50.81 9.76 16.35 26.75 99.14 56.38 -83.65 -6.32 41.74 1.55 56.71 11.84 7.70 24.24 46.58 7.81 0.23 0.76 0.84 21 A C C 49.29 8.61 15.00 24.83 112.68 99.46 -82.25 141.14 64.28 3.13 32.59 26.66 16.54 22.42 23.34 7.91 0.12 1.38 1.63 22 E C C 111.81 6.24 14.71 22.12 113.88 -106.98 -85.14 132.65 73.38 9.58 17.05 42.46 17.83 13.09 10.90 5.72 0.11 3.84 6.06 23 Q C C 62.43 10.91 9.94 21.86 119.96 -149.45 -94.87 150.79 87.11 8.09 4.80 59.66 20.87 5.80 2.52 2.35 0.00 3.40 5.39 24 P C T 94.44 4.11 12.44 17.74 96.24 -106.95 -64.09 -17.71 88.16 1.47 10.38 16.36 15.05 56.43 2.06 8.52 0.00 0.80 0.77 25 H C T 133.62 3.25 11.77 16.17 97.78 39.55 -89.18 10.13 88.45 1.04 10.51 9.50 18.11 60.56 1.82 8.77 0.00 0.56 0.66 26 R C S 167.79 3.29 12.47 17.42 97.48 -107.31 63.45 25.61 86.29 4.42 9.29 24.16 40.65 21.69 1.75 7.06 0.01 1.94 2.74 27 I C S 89.02 5.68 12.64 20.05 120.30 133.62 -105.32 138.57 90.42 7.72 1.86 42.78 43.63 4.35 0.78 1.03 0.00 3.53 3.89 28 P C C 68.22 8.18 13.89 23.43 113.23 -102.43 -66.17 146.18 90.73 6.99 2.28 74.22 11.68 3.88 1.02 1.27 0.00 2.89 5.03 29 A C C 39.16 12.22 13.24 26.04 114.41 -114.86 -74.10 156.29 91.85 3.52 4.63 78.84 8.11 4.04 2.14 2.27 0.00 1.15 3.46 30 R C T 141.32 5.75 18.87 25.39 94.38 -106.09 -65.92 -26.46 94.10 0.43 5.47 2.11 6.99 85.51 2.23 2.60 0.00 0.20 0.36 31 C C T 19.98 18.01 13.52 31.66 96.81 48.40 -97.98 3.32 94.62 0.09 5.28 3.60 3.79 87.95 2.72 1.81 0.00 0.04 0.08 32 H H H 66.42 12.06 15.84 28.79 92.72 102.30 -59.81 -41.80 3.05 0.01 96.95 1.30 0.41 1.12 96.37 0.81 0.00 0.00 0.00 33 A H H 60.36 3.21 22.01 24.78 91.42 52.44 -63.87 -39.71 0.56 0.00 99.44 0.08 0.03 0.33 99.18 0.37 0.00 0.00 0.00 34 F H H 44.88 13.71 18.98 33.13 91.97 49.99 -65.68 -41.07 0.24 0.00 99.76 0.04 0.01 0.14 99.48 0.33 0.00 0.00 0.00 35 E H H 28.08 18.87 17.61 36.05 91.82 51.77 -63.11 -42.01 0.10 0.00 99.90 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 36 K H H 100.72 6.18 22.73 29.25 91.69 51.27 -63.87 -41.03 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 37 E H H 85.00 6.74 22.97 29.98 91.63 50.43 -64.69 -41.18 0.14 0.00 99.86 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 38 W H H 25.43 19.61 19.04 38.40 92.03 50.18 -64.39 -42.61 0.18 0.00 99.82 0.01 0.01 0.15 99.74 0.10 0.00 0.00 0.00 39 I H H 42.00 14.25 20.89 35.07 91.74 50.67 -63.82 -42.13 0.39 0.00 99.61 0.02 0.02 0.31 99.42 0.23 0.00 0.00 0.00 40 E H H 103.36 3.38 25.13 28.08 91.68 50.56 -64.34 -40.80 2.01 0.00 97.99 0.10 0.08 1.76 97.10 0.96 0.00 0.00 0.00 41 C H H 23.04 12.18 19.51 32.92 92.01 50.49 -65.40 -40.14 5.24 0.01 94.75 0.38 0.32 4.39 91.78 3.11 0.01 0.01 0.01 42 A H H 15.00 17.12 16.71 34.12 92.05 52.81 -65.75 -35.82 9.25 0.15 90.60 1.71 1.16 6.44 82.51 7.97 0.06 0.07 0.07 43 H H H 106.38 6.68 19.68 27.01 92.96 53.96 -68.33 -31.72 16.59 0.29 83.12 2.27 1.81 12.34 72.51 10.62 0.14 0.16 0.15 44 G H H 42.01 5.33 18.05 24.16 94.59 57.21 -72.75 -25.16 27.17 0.40 72.43 3.12 3.16 20.44 63.04 9.62 0.19 0.20 0.23 45 I C T 72.00 11.19 13.46 25.12 102.96 50.66 -90.40 11.34 63.28 1.22 35.50 5.06 10.34 46.63 29.77 6.45 0.26 0.55 0.94 46 G C T 44.21 4.20 16.55 21.64 112.95 -64.23 87.96 -9.38 83.48 0.71 15.81 15.77 13.16 54.51 11.89 3.91 0.01 0.31 0.45 47 S C T 65.81 6.23 14.42 21.62 106.49 -5.33 -76.78 -30.54 65.56 1.28 33.16 15.95 24.30 26.34 23.42 8.51 0.09 0.50 0.89 48 I C H 100.85 5.60 15.26 21.71 98.71 24.47 -77.26 -22.28 57.61 2.41 39.98 10.80 18.87 28.83 29.60 9.02 0.43 1.11 1.34 49 R C H 116.60 5.85 17.83 24.22 97.19 58.24 -72.17 -20.61 52.08 2.46 45.47 24.92 8.41 20.41 35.55 8.25 0.08 1.27 1.11 50 A H H 13.73 16.22 13.13 29.96 94.17 67.62 -64.21 -40.74 19.40 0.98 79.62 10.60 3.69 6.80 68.35 9.54 0.06 0.59 0.37 51 E H H 81.13 10.98 17.22 28.48 92.78 53.54 -64.19 -39.30 10.86 0.58 88.56 3.67 1.85 5.66 74.74 13.43 0.07 0.42 0.16 52 K H H 122.17 2.43 21.17 22.73 93.03 49.96 -67.44 -38.54 10.30 0.53 89.17 2.89 1.71 5.85 74.42 14.49 0.08 0.40 0.14 53 E H H 76.81 8.27 18.45 27.46 93.36 49.01 -70.94 -33.67 16.98 0.84 82.17 4.26 3.38 10.23 70.00 11.03 0.25 0.49 0.36 54 C H H 13.19 19.15 11.60 30.52 96.77 53.79 -81.31 -18.95 47.43 1.58 50.99 20.45 8.25 20.50 41.98 7.06 0.09 0.71 0.96 55 K H H 114.62 5.88 17.18 24.22 94.08 76.84 -64.03 -39.08 47.36 1.11 51.53 15.15 8.74 24.42 41.05 9.37 0.10 0.52 0.65 56 I H H 105.91 3.18 17.37 20.75 94.46 48.48 -70.54 -35.16 45.53 0.83 53.65 7.17 10.06 29.10 41.83 10.65 0.28 0.38 0.53 57 E H H 83.71 9.13 15.67 25.49 98.75 42.04 -88.52 -14.35 43.68 1.00 55.32 9.85 10.60 24.34 41.48 12.38 0.26 0.46 0.64 58 F H H 81.82 13.06 15.39 28.09 97.59 -57.92 -46.94 -11.11 39.48 0.98 59.53 11.68 7.76 20.94 43.76 14.66 0.17 0.46 0.57 59 E H H 90.99 7.47 18.45 26.52 96.88 94.83 -70.13 -26.54 38.91 0.93 60.15 12.65 7.57 19.66 45.62 13.43 0.11 0.45 0.51 60 D H H 47.89 10.48 17.86 29.07 99.25 52.47 -82.18 -12.64 40.45 0.78 58.78 23.29 6.06 12.26 48.37 9.22 0.02 0.37 0.41 61 F H H 48.03 16.23 16.39 32.51 94.44 66.26 -64.81 -37.97 16.61 0.28 83.11 7.29 3.41 7.20 76.39 5.39 0.05 0.14 0.13 62 R H H 111.51 7.70 21.04 29.10 92.18 53.50 -64.35 -40.75 7.50 0.12 92.38 1.92 1.21 4.58 86.25 5.88 0.04 0.07 0.04 63 E H H 69.15 6.91 20.30 28.15 91.98 50.18 -65.09 -41.04 5.97 0.07 93.96 1.21 0.74 3.85 86.62 7.49 0.02 0.05 0.02 64 C H H 22.85 13.68 17.09 31.74 92.28 50.14 -65.60 -39.48 9.67 0.09 90.24 1.51 1.04 6.73 82.76 7.84 0.03 0.05 0.03 65 L H H 53.64 11.15 18.42 30.17 92.55 50.11 -69.35 -35.38 24.94 0.21 74.85 3.06 2.87 18.92 69.12 5.72 0.08 0.10 0.13 66 L H H 74.03 7.02 18.72 26.46 92.82 54.57 -67.03 -37.28 30.61 0.41 68.98 9.27 6.03 16.64 65.05 2.52 0.05 0.14 0.29 67 R H H 115.58 6.85 18.04 25.59 93.97 54.22 -64.98 -39.56 7.86 0.06 92.08 2.83 1.32 3.41 91.77 0.62 0.01 0.02 0.02 68 Q H H 90.43 4.94 19.34 24.59 92.99 52.02 -66.23 -41.16 1.97 0.01 98.02 0.58 0.23 1.01 97.80 0.38 0.00 0.00 0.00 69 K H H 70.47 7.78 16.99 26.10 92.10 50.09 -64.90 -41.59 0.70 0.00 99.29 0.17 0.06 0.37 99.11 0.28 0.00 0.00 0.00 70 T H H 52.24 7.66 17.37 26.25 92.15 50.30 -64.41 -41.63 0.51 0.00 99.49 0.11 0.04 0.27 99.41 0.17 0.00 0.00 0.00 71 M H H 89.22 4.02 18.60 23.10 92.05 49.99 -64.47 -41.52 0.37 0.00 99.63 0.06 0.02 0.21 99.63 0.08 0.00 0.00 0.00 72 K H H 111.80 3.35 19.11 22.55 91.81 49.77 -64.67 -41.46 0.34 0.00 99.66 0.05 0.01 0.19 99.69 0.05 0.00 0.00 0.00 73 R H H 99.27 7.64 17.32 25.78 91.74 50.23 -64.06 -41.23 0.25 0.00 99.75 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 74 L H H 68.72 6.32 17.44 24.96 91.78 50.13 -63.83 -41.66 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 75 N H H 81.11 2.57 19.52 21.53 91.61 50.13 -64.28 -40.96 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 76 A H H 39.64 4.79 17.80 23.90 91.63 50.50 -63.85 -41.73 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 77 I H H 57.83 8.33 16.67 26.30 91.99 49.28 -64.76 -41.98 0.16 0.00 99.84 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 78 K H H 102.27 4.40 18.37 23.36 91.62 50.33 -63.96 -41.15 0.22 0.00 99.78 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 79 R H H 133.31 1.95 19.77 20.67 91.86 49.84 -64.58 -41.74 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 80 Q H H 72.95 5.71 17.81 24.49 91.74 49.63 -64.52 -41.15 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 81 R H H 84.31 9.24 16.26 26.49 91.95 50.38 -64.17 -41.14 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 82 D H H 74.43 3.19 18.47 21.69 91.59 50.14 -63.83 -40.41 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 83 K H H 103.66 2.20 18.12 19.71 91.70 50.46 -64.53 -41.08 0.22 0.00 99.78 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 84 L H H 46.04 6.59 13.64 22.49 91.69 50.48 -64.48 -41.05 0.40 0.00 99.60 0.04 0.02 0.29 99.53 0.12 0.00 0.00 0.00 85 I H H 69.41 6.56 12.26 20.59 92.09 49.85 -64.36 -41.69 0.65 0.00 99.35 0.06 0.03 0.49 99.04 0.36 0.00 0.00 0.00 86 K H H 153.31 1.16 13.63 14.58 91.07 51.88 -65.21 -32.45 3.26 0.00 96.74 0.09 0.11 3.11 96.29 0.40 0.00 0.00 0.00 87 E C T 127.55 1.69 12.01 14.12 91.87 52.66 -84.24 -6.42 74.06 0.02 25.92 0.24 0.94 72.29 25.85 0.65 0.00 0.00 0.02 88 G C T 57.65 1.73 11.49 14.36 95.51 -114.00 79.00 12.61 99.54 0.01 0.45 0.67 1.95 97.11 0.20 0.07 0.00 0.00 0.00 89 K C S 134.77 2.29 12.60 16.02 95.62 121.49 -81.61 -19.48 99.38 0.32 0.30 21.23 72.86 5.31 0.08 0.22 0.00 0.13 0.18 90 Y C S 82.42 10.83 8.97 20.63 128.75 34.22 -130.72 145.50 97.65 1.96 0.38 31.12 61.99 4.25 0.10 0.27 0.00 0.58 1.70 91 T C C 95.57 2.28 15.80 18.93 120.42 -148.49 -110.53 139.72 99.02 0.93 0.04 81.99 16.91 0.20 0.01 0.02 0.00 0.35 0.53 92 P C C 79.37 7.69 11.56 20.76 116.51 -102.91 -65.14 149.13 99.72 0.25 0.03 91.42 8.15 0.16 0.01 0.02 0.00 0.09 0.16 93 P C C 61.28 7.55 10.10 19.53 116.11 -102.80 -64.45 152.32 99.12 0.18 0.70 91.56 5.73 1.75 0.13 0.62 0.00 0.08 0.13 94 P C C 118.04 1.40 12.67 14.46 95.79 -106.40 -66.17 -20.22 93.90 0.58 5.52 52.69 22.78 17.43 0.74 5.73 0.00 0.26 0.37 95 H C C 125.74 3.75 10.50 15.91 118.45 50.34 -111.66 131.29 87.65 3.49 8.86 54.84 16.75 15.05 1.55 8.10 0.00 1.59 2.12 96 H C C 102.45 7.90 8.49 17.59 112.32 -144.73 -87.88 126.59 87.11 5.60 7.30 68.52 10.32 7.41 2.11 5.45 0.00 2.74 3.44 97 S C C 81.60 2.97 11.68 15.87 103.86 -162.41 -96.24 13.26 88.36 2.65 8.99 42.71 17.25 28.70 2.02 6.68 0.00 1.29 1.34 98 G C T 46.40 5.11 9.56 16.07 110.13 -112.66 81.82 14.80 87.23 1.64 11.13 30.58 25.31 31.74 2.19 8.47 0.00 0.70 0.99 99 Q C C 138.81 2.03 9.68 12.99 107.71 -84.96 -89.88 82.73 83.93 2.19 13.89 49.84 22.16 11.83 3.34 10.42 0.00 0.94 1.47 100 E C C 131.99 2.72 8.59 13.25 114.62 92.21 -90.41 136.18 86.04 2.04 11.92 52.93 20.90 12.19 3.07 8.70 0.00 0.95 1.25 101 D C C 113.36 2.04 9.45 13.07 111.59 -108.47 -83.73 129.94 92.02 1.69 6.29 65.19 18.48 8.18 1.66 4.67 0.00 0.82 1.00 102 L C C 119.26 3.66 7.29 12.78 110.65 -136.72 -84.88 123.25 95.45 1.88 2.67 80.75 10.13 4.30 0.81 1.86 0.00 0.86 1.28 103 R C C 167.75 2.00 8.29 12.16 117.99 -157.40 -100.37 136.27 99.25 0.70 0.05 96.83 2.43 0.14 0.02 0.02 0.00 0.28 0.29 104 P C C 103.36 2.74 10.71 15.10 111.18 -99.12 -67.53 145.38 99.93 0.05 0.02 99.68 0.21 0.07 0.01 0.00 0.00 0.02 0.01