# 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 69.67 5.21 12.66 19.31 117.00 -149.31 -96.69 155.35 99.95 0.04 0.01 99.76 0.14 0.07 0.00 0.00 0.00 0.02 0.01 1 D C C 121.80 1.88 11.61 14.56 105.40 -107.56 -88.08 29.82 99.35 0.35 0.30 92.55 3.64 3.20 0.10 0.14 0.00 0.14 0.23 2 A C C 62.17 6.14 9.21 17.12 118.77 133.51 -91.65 142.16 99.12 0.61 0.27 58.35 39.90 0.93 0.11 0.12 0.00 0.18 0.42 3 P C C 83.27 4.17 13.69 19.25 116.15 -97.54 -69.56 152.19 98.28 0.32 1.41 87.01 9.16 2.08 0.30 1.14 0.00 0.15 0.16 4 P C C 82.11 7.23 14.56 23.04 112.64 -96.19 -68.81 147.04 93.44 1.42 5.14 71.30 13.63 8.31 1.94 3.16 0.00 0.58 1.08 5 L C C 46.61 17.31 11.48 28.08 111.84 -112.10 -82.22 128.94 90.15 3.54 6.30 72.72 11.97 4.76 3.12 3.31 0.00 1.47 2.65 6 T C C 65.14 4.34 21.50 25.49 124.06 -158.24 -96.05 161.42 91.37 3.47 5.17 81.00 8.56 1.34 4.47 0.93 0.00 1.13 2.58 7 L H H 64.29 15.48 13.32 28.49 92.05 -110.20 -59.31 -38.45 4.32 0.04 95.64 1.31 1.11 2.13 94.57 0.84 0.00 0.01 0.02 8 E H H 126.47 2.50 19.50 22.22 91.51 53.82 -63.60 -40.26 2.46 0.01 97.52 0.42 0.29 1.61 96.82 0.85 0.00 0.00 0.00 9 A H H 37.29 6.72 18.80 26.90 91.88 49.64 -65.31 -40.94 1.74 0.02 98.24 0.50 0.19 1.01 97.16 1.11 0.00 0.01 0.01 10 I H H 9.48 21.86 16.59 38.44 91.63 49.87 -64.34 -43.09 0.76 0.00 99.23 0.26 0.08 0.37 99.06 0.23 0.00 0.00 0.00 11 K H H 62.43 16.21 20.65 35.81 90.99 51.31 -61.64 -42.51 0.31 0.00 99.69 0.08 0.02 0.15 99.72 0.04 0.00 0.00 0.00 12 D H H 76.04 4.56 25.16 29.73 91.73 49.87 -64.77 -41.12 0.12 0.00 99.88 0.02 0.01 0.06 99.90 0.01 0.00 0.00 0.00 13 R H H 65.62 13.05 23.86 36.49 92.00 49.43 -64.94 -41.95 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 14 V H H 2.24 25.84 21.52 47.24 91.48 49.50 -64.00 -43.72 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 15 L H H 26.61 16.84 23.16 39.57 91.21 50.26 -62.67 -42.60 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 16 Y H H 94.29 6.17 26.17 32.78 91.68 50.14 -63.77 -42.43 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 17 V H H 12.37 17.21 22.22 39.80 91.52 48.86 -63.30 -43.67 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 18 L H H 5.27 22.81 18.44 41.56 91.75 49.46 -64.18 -42.22 0.25 0.00 99.75 0.01 0.01 0.19 99.67 0.11 0.00 0.00 0.00 19 K H H 81.27 10.05 19.66 30.11 91.67 51.02 -64.16 -39.85 1.69 0.01 98.30 0.09 0.08 1.49 97.80 0.54 0.00 0.00 0.00 20 L H H 81.70 6.67 19.85 27.02 92.91 49.63 -67.70 -39.12 5.83 0.01 94.16 0.18 0.22 5.50 93.41 0.68 0.01 0.00 0.00 21 Y H H 76.55 13.36 16.79 30.12 99.07 37.54 -86.51 -33.38 17.93 0.05 82.02 0.72 1.55 15.47 81.44 0.74 0.03 0.01 0.03 22 D C H 46.36 13.23 13.97 27.41 104.11 26.13 -109.42 1.47 57.01 0.41 42.57 7.97 20.28 26.95 43.13 1.18 0.05 0.10 0.34 23 K C C 164.19 1.57 19.06 20.31 95.31 -126.23 53.99 36.98 99.62 0.09 0.28 51.92 11.29 36.46 0.09 0.14 0.00 0.05 0.05 24 I C C 35.89 15.91 9.56 25.56 121.25 147.69 -97.43 141.61 99.46 0.46 0.08 87.67 11.50 0.16 0.04 0.02 0.00 0.11 0.50 25 D C C 83.72 2.99 21.37 23.76 107.67 -116.71 -80.63 117.54 99.90 0.06 0.04 99.62 0.27 0.04 0.01 0.01 0.00 0.02 0.03 26 P H G 43.38 18.49 10.21 28.04 91.85 -151.71 -61.62 -27.18 16.39 0.09 83.52 1.85 1.41 10.67 1.61 84.39 0.00 0.06 0.01 27 E H G 146.50 1.90 18.36 20.67 90.34 64.79 -69.74 -19.35 15.96 0.07 83.97 0.73 1.16 12.04 1.54 84.49 0.00 0.04 0.01 28 K H G 128.51 3.43 18.63 22.52 95.77 53.37 -91.02 -4.31 15.40 0.18 84.42 2.81 2.10 8.45 1.71 84.79 0.00 0.12 0.02 29 L C C 15.33 23.43 9.01 31.34 113.19 105.66 -81.00 127.35 91.44 1.95 6.61 73.26 15.57 2.26 2.53 3.77 0.00 0.59 2.03 30 S C C 46.36 5.00 23.88 28.89 135.51 165.71 -134.60 167.34 93.34 5.56 1.10 75.76 14.04 0.96 0.58 0.42 0.00 1.05 7.20 31 V C T 64.27 15.40 14.28 29.50 91.46 -96.79 -63.43 -25.87 98.29 0.30 1.41 1.00 5.78 91.74 0.31 0.84 0.00 0.15 0.19 32 N C T 119.31 2.01 20.02 21.81 94.47 53.92 -92.06 2.51 98.88 0.08 1.04 1.95 4.46 92.58 0.28 0.64 0.00 0.05 0.04 33 S C C 16.48 16.33 11.54 28.84 114.96 121.35 -69.93 140.29 95.54 1.61 2.85 70.42 23.61 1.07 2.27 0.52 0.00 0.32 1.79 34 H H H 92.37 6.13 21.30 28.25 94.34 -134.65 -69.04 -27.84 24.51 5.27 70.22 6.36 8.45 11.22 63.85 2.18 1.24 1.13 5.56 35 F H H 15.05 20.83 15.18 36.18 92.08 66.07 -63.86 -39.76 15.02 0.31 84.67 1.40 2.16 12.41 79.18 3.57 0.92 0.12 0.23 36 M H H 38.71 16.89 14.59 31.20 92.53 51.47 -65.42 -40.17 10.54 0.35 89.11 1.12 1.66 8.53 82.63 4.44 1.21 0.14 0.28 37 K H H 147.58 1.73 18.88 20.27 95.16 44.67 -71.14 -38.82 11.36 0.28 88.36 0.85 1.63 9.57 81.53 5.03 1.06 0.11 0.22 38 D H H 92.62 4.17 17.56 22.46 97.62 37.86 -80.72 -34.19 24.10 0.19 75.71 0.82 2.65 21.42 69.98 4.26 0.65 0.06 0.16 39 L H H 40.88 16.20 13.56 29.48 98.32 29.07 -98.59 -9.71 46.57 0.65 52.78 2.46 11.54 33.14 48.77 2.74 0.55 0.18 0.62 40 G C C 43.74 3.70 21.19 25.06 97.48 -113.20 77.50 20.08 97.98 0.42 1.60 66.41 8.80 22.92 0.57 0.81 0.00 0.20 0.28 41 L C C 22.97 22.40 9.53 30.41 113.30 160.11 -79.75 131.60 95.58 0.92 3.50 68.82 16.25 10.54 1.38 1.83 0.00 0.37 0.80 42 D C C 86.69 3.89 19.65 23.70 122.76 -160.06 -106.88 157.02 95.72 0.91 3.37 70.16 16.87 8.69 1.63 1.48 0.00 0.32 0.84 43 S H H 67.06 6.10 15.85 22.96 101.96 -84.86 -64.59 -65.70 27.14 0.40 72.45 5.77 14.21 9.20 67.99 2.30 0.11 0.11 0.31 44 L H H 109.21 2.90 18.22 21.28 93.62 40.37 -65.80 -38.44 10.99 0.05 88.97 0.91 1.51 8.64 86.02 2.81 0.05 0.02 0.03 45 D H H 44.84 12.50 17.10 30.04 92.54 50.94 -66.30 -39.45 8.11 0.09 91.80 1.91 0.95 5.27 88.74 3.02 0.02 0.05 0.04 46 Q H H 26.12 19.29 15.76 34.62 91.46 52.60 -63.29 -42.27 2.00 0.03 97.97 0.61 0.22 1.10 97.10 0.94 0.00 0.01 0.01 47 V H H 67.68 6.56 21.99 29.03 91.66 50.81 -63.94 -41.97 0.32 0.00 99.68 0.11 0.02 0.12 99.70 0.04 0.00 0.00 0.00 48 E H H 92.29 5.15 23.89 29.05 91.68 50.35 -64.75 -41.32 0.08 0.00 99.92 0.02 0.00 0.04 99.93 0.02 0.00 0.00 0.00 49 I H H 9.55 21.72 19.40 40.93 91.62 49.47 -63.92 -43.37 0.05 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 I H H 24.25 18.94 20.61 38.95 91.21 50.17 -62.62 -42.68 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 51 M H H 88.88 3.76 24.55 27.87 91.51 50.08 -63.61 -42.02 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 52 A H H 23.06 8.83 20.58 31.14 91.47 50.16 -63.89 -42.25 0.59 0.00 99.41 0.03 0.02 0.49 99.42 0.04 0.00 0.00 0.00 53 M H H 8.43 21.55 15.07 36.99 91.87 49.72 -64.29 -42.41 1.12 0.01 98.87 0.10 0.11 0.87 98.81 0.10 0.01 0.00 0.00 54 E H H 75.74 10.81 16.58 27.89 92.36 49.66 -64.35 -41.61 0.72 0.00 99.27 0.07 0.06 0.52 99.20 0.15 0.00 0.00 0.00 55 D H H 113.69 1.08 18.78 18.14 94.60 43.17 -72.12 -38.87 1.86 0.00 98.14 0.07 0.10 1.64 97.88 0.30 0.00 0.00 0.00 56 E H H 100.42 6.68 16.27 23.88 98.94 36.70 -83.20 -38.18 6.82 0.01 93.17 0.15 0.42 6.34 92.66 0.39 0.02 0.00 0.01 57 F H H 55.78 13.92 12.73 27.09 101.11 24.00 -106.95 -9.67 18.24 0.13 81.63 1.30 4.22 12.94 80.87 0.48 0.07 0.03 0.09 58 G C C 55.88 1.76 18.87 20.07 95.92 -120.26 74.29 19.40 99.51 0.24 0.25 68.36 14.14 17.04 0.07 0.15 0.00 0.13 0.10 59 F C C 53.66 15.31 10.40 25.76 120.73 139.14 -101.33 143.59 97.07 2.74 0.19 92.13 4.68 0.47 0.07 0.10 0.00 1.56 0.98 60 E C C 138.46 2.20 21.33 23.50 113.23 -139.31 -97.78 125.32 95.14 4.73 0.13 93.86 1.68 0.23 0.06 0.05 0.00 2.17 1.96 61 I C C 21.73 22.42 9.68 31.07 116.14 -154.40 -100.31 126.94 98.78 1.09 0.12 97.07 1.88 0.12 0.06 0.03 0.00 0.57 0.27 62 P C C 59.17 5.24 17.64 24.06 113.58 -116.09 -68.16 149.30 97.31 0.41 2.28 94.71 1.67 1.48 0.87 0.90 0.00 0.19 0.18 63 D C G 103.53 5.72 13.82 21.06 94.65 -110.50 -65.13 -26.53 54.33 0.43 45.24 12.14 13.77 27.76 17.39 28.35 0.02 0.17 0.39 64 I C G 105.69 3.76 15.21 19.90 96.58 65.23 -74.15 -20.99 50.40 0.48 49.12 10.50 10.05 28.93 19.59 30.29 0.04 0.21 0.38 65 D H G 57.75 9.03 15.90 25.98 97.35 55.43 -81.38 -11.35 45.89 0.54 53.56 23.90 6.30 15.40 21.86 31.94 0.00 0.26 0.33 66 A H G 15.22 20.87 11.26 31.32 93.11 84.56 -62.98 -33.87 20.82 0.32 78.87 7.33 3.01 9.88 26.19 53.30 0.00 0.18 0.11 67 E H G 123.96 4.88 18.98 25.09 91.53 62.59 -67.04 -24.79 21.83 0.17 78.00 2.82 2.55 15.15 20.44 58.86 0.01 0.10 0.06 68 K H G 122.75 4.58 20.32 25.36 93.02 59.78 -78.41 -16.01 25.95 0.20 73.86 3.80 3.53 17.56 14.63 60.27 0.01 0.11 0.09 69 L C C 17.79 21.24 13.23 34.19 104.21 76.08 -92.92 74.84 79.49 1.37 19.15 62.83 9.53 6.96 6.99 12.09 0.00 0.58 1.01 70 M C C 79.00 11.39 21.81 33.15 98.25 139.15 -90.95 -13.04 96.83 1.82 1.35 69.50 25.14 1.79 0.62 0.59 0.00 0.48 1.89 71 C C S 35.71 8.92 23.97 34.07 133.80 46.85 -131.75 155.61 93.10 5.75 1.15 12.06 80.22 0.20 1.00 0.04 0.00 0.37 6.12 72 P H H 14.70 22.57 16.12 38.80 91.37 -116.66 -58.64 -37.60 3.54 0.01 96.46 0.22 0.44 2.98 95.32 1.02 0.01 0.00 0.01 73 Q H H 94.83 7.08 22.63 30.35 91.56 56.00 -63.00 -39.93 1.69 0.00 98.31 0.13 0.12 1.40 97.34 1.01 0.00 0.00 0.00 74 E H H 76.11 7.05 22.88 30.35 91.69 50.15 -66.04 -39.76 0.49 0.01 99.50 0.17 0.05 0.27 98.47 1.04 0.00 0.00 0.00 75 I H H 4.09 24.91 17.46 42.56 91.77 50.16 -63.83 -43.67 0.21 0.00 99.79 0.05 0.01 0.11 99.63 0.19 0.00 0.00 0.00 76 V H H 24.09 17.05 20.19 37.07 91.34 50.29 -63.11 -42.61 0.22 0.01 99.77 0.04 0.01 0.12 99.63 0.17 0.00 0.01 0.00 77 D H H 84.20 2.67 24.37 26.03 91.55 50.22 -64.20 -41.38 0.52 0.00 99.47 0.05 0.02 0.38 99.32 0.22 0.00 0.00 0.00 78 Y H H 47.08 11.86 19.30 32.23 91.79 49.63 -65.05 -42.44 1.11 0.00 98.88 0.11 0.06 0.82 98.62 0.39 0.00 0.00 0.00 79 I H H 11.73 21.71 15.63 37.17 92.24 48.80 -65.71 -39.95 3.43 0.03 96.54 0.52 0.29 2.33 96.24 0.60 0.00 0.01 0.01 80 A H H 48.38 9.07 17.05 27.04 92.10 55.68 -66.03 -31.00 19.20 0.07 80.73 2.03 1.59 14.84 80.43 1.03 0.02 0.02 0.04 81 D C H 102.69 2.28 18.12 20.07 95.69 51.59 -83.65 -7.26 52.48 0.28 47.25 8.94 6.10 36.02 46.79 1.87 0.02 0.10 0.16 82 K C C 81.62 12.61 10.96 23.59 104.85 96.52 -85.53 61.71 64.06 1.01 34.93 32.98 14.02 17.17 30.73 4.13 0.01 0.38 0.58 83 K C C 132.53 4.39 14.06 19.90 101.42 135.38 -77.21 -16.90 61.38 1.38 37.24 28.38 14.06 19.79 26.56 9.82 0.03 0.65 0.71 84 D C C 89.32 5.20 12.98 19.56 102.81 56.73 -85.53 28.90 64.75 1.96 33.29 34.91 10.84 19.16 21.71 11.44 0.02 1.05 0.87 85 V C C 70.29 10.02 10.44 21.19 103.46 107.61 -85.33 -0.42 64.96 4.06 30.97 35.84 12.88 16.87 20.31 10.16 0.04 2.26 1.65 86 Y C C 125.22 7.36 9.48 18.12 109.22 77.18 -93.69 95.25 75.12 2.77 22.11 57.05 3.48 15.24 16.20 5.07 0.00 1.59 1.35 87 E C C 138.81 2.88 13.44 17.75 107.69 -147.32 -86.39 106.68 99.87 0.06 0.06 99.71 0.10 0.10 0.03 0.00 0.00 0.03 0.01