# 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 87.26 5.56 17.80 24.18 110.97 -117.04 -73.41 135.69 99.97 0.03 0.01 99.86 0.09 0.03 0.00 0.00 0.00 0.01 0.00 1 I C C 39.45 18.05 8.60 25.38 116.46 -136.03 -89.91 135.28 98.59 0.56 0.86 96.49 1.72 0.41 0.72 0.07 0.00 0.15 0.43 2 T C C 71.30 2.49 16.49 18.87 119.95 -124.15 -78.80 161.37 98.21 0.30 1.48 96.01 1.81 0.45 1.36 0.10 0.00 0.08 0.19 3 K H H 139.67 4.14 11.76 18.01 91.80 -110.47 -58.20 -38.61 3.58 0.01 96.41 1.10 0.69 1.48 96.35 0.36 0.00 0.00 0.00 4 E H H 131.06 1.20 15.73 15.95 92.19 52.82 -64.84 -40.51 1.62 0.00 98.38 0.35 0.19 0.87 98.24 0.34 0.00 0.00 0.00 5 E H H 75.51 7.35 15.15 24.00 92.04 48.68 -65.80 -39.94 0.64 0.00 99.36 0.17 0.06 0.31 99.15 0.31 0.00 0.00 0.00 6 K H H 45.01 16.88 13.46 30.05 91.49 51.52 -62.65 -42.13 0.28 0.00 99.72 0.06 0.02 0.14 99.69 0.10 0.00 0.00 0.00 7 Q H H 88.60 5.05 19.61 25.34 91.47 50.75 -64.09 -40.66 0.26 0.00 99.74 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 8 K H H 108.36 2.37 22.39 23.41 91.77 50.03 -64.49 -41.66 0.28 0.00 99.72 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 9 V H H 12.18 16.51 17.31 34.82 91.78 49.53 -63.67 -43.59 0.35 0.00 99.65 0.04 0.02 0.22 99.65 0.08 0.00 0.00 0.00 10 I H H 21.82 18.98 16.39 35.20 91.52 49.71 -63.49 -41.87 0.32 0.00 99.68 0.03 0.02 0.21 99.54 0.20 0.00 0.00 0.00 11 Q H H 117.76 2.71 21.11 23.91 91.66 50.76 -64.31 -39.33 1.13 0.00 98.87 0.05 0.04 0.99 97.42 1.49 0.00 0.00 0.00 12 E H H 111.10 3.60 21.14 24.70 92.55 49.13 -68.65 -35.15 5.81 0.00 94.18 0.11 0.16 5.83 92.10 1.79 0.00 0.00 0.00 13 F H H 35.89 17.23 14.86 32.01 99.29 37.80 -99.61 -13.58 18.49 0.03 81.48 0.97 1.42 15.92 79.32 2.32 0.02 0.01 0.02 14 A C C 28.38 16.80 12.65 29.27 105.00 96.12 -69.53 102.37 88.00 0.43 11.58 45.02 7.83 35.97 7.61 2.99 0.00 0.14 0.44 15 R C T 158.45 3.35 18.21 22.35 98.46 123.83 -90.56 -13.23 94.86 0.42 4.72 30.11 27.80 36.96 1.35 3.24 0.00 0.16 0.38 16 F C S 103.51 5.30 14.18 21.13 127.18 69.50 -113.29 148.20 99.18 0.58 0.23 24.15 74.32 0.57 0.08 0.10 0.00 0.13 0.66 17 P C T 115.27 2.08 14.38 17.68 107.01 -97.06 -61.40 133.65 99.48 0.07 0.44 0.45 3.36 95.71 0.02 0.40 0.00 0.04 0.03 18 G C T 57.70 2.20 15.95 18.71 95.93 26.69 83.00 0.00 99.70 0.05 0.25 0.84 2.78 96.05 0.01 0.27 0.00 0.03 0.01 19 D C C 35.79 15.90 10.73 26.71 104.36 127.40 -80.46 95.80 98.38 1.40 0.23 93.41 4.25 0.48 0.06 0.15 0.00 0.41 1.25 20 T C C 77.34 7.77 18.30 26.83 99.18 155.75 -99.49 -1.36 99.21 0.45 0.33 58.49 7.80 32.89 0.08 0.22 0.00 0.21 0.32 21 G C T 34.57 11.42 18.45 29.63 96.88 -94.56 70.51 2.20 99.20 0.46 0.35 20.60 38.33 40.30 0.08 0.26 0.00 0.20 0.23 22 S C C 38.18 9.07 20.40 30.58 117.27 130.84 -75.95 143.49 99.32 0.34 0.34 84.18 14.81 0.18 0.31 0.04 0.00 0.06 0.42 23 T H H 43.11 16.68 17.94 34.33 92.28 -127.84 -60.54 -37.06 1.19 0.00 98.81 0.13 0.17 0.72 98.87 0.12 0.00 0.00 0.00 24 E H H 89.13 11.00 22.59 33.35 91.70 54.99 -63.51 -40.66 0.37 0.00 99.62 0.03 0.02 0.26 99.60 0.09 0.00 0.00 0.00 25 V H H 27.00 14.55 21.93 36.63 92.20 48.85 -66.08 -42.13 0.07 0.00 99.93 0.00 0.00 0.04 99.89 0.06 0.00 0.00 0.00 26 Q H H 34.55 17.95 23.37 40.25 91.78 50.88 -63.75 -42.83 0.03 0.00 99.97 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 27 V H H 16.76 19.22 23.59 42.26 91.43 49.80 -63.60 -43.37 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 28 A H H 24.80 11.78 25.51 38.03 91.56 50.49 -63.90 -42.17 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 29 L H H 33.05 14.62 25.10 39.58 91.65 49.51 -64.46 -42.77 0.10 0.00 99.90 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 30 L H H 15.01 21.07 22.99 43.36 91.76 49.87 -64.27 -42.32 0.17 0.00 99.83 0.01 0.00 0.09 99.87 0.01 0.00 0.00 0.00 31 T H H 32.76 14.46 23.38 37.51 91.94 50.67 -64.23 -41.65 0.22 0.00 99.78 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 32 L H H 60.52 7.60 24.67 32.88 91.75 50.28 -64.42 -42.07 0.15 0.00 99.85 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 33 R H H 61.11 13.97 22.71 36.22 91.98 50.11 -64.60 -41.90 0.26 0.00 99.74 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 34 I H H 15.86 20.18 18.95 38.91 91.64 50.21 -63.78 -42.47 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 35 N H H 79.13 5.89 23.52 29.57 91.53 50.79 -64.12 -40.82 0.38 0.00 99.62 0.03 0.01 0.25 99.67 0.05 0.00 0.00 0.00 36 R H H 108.98 5.28 23.16 28.59 91.86 49.66 -65.20 -40.56 0.81 0.00 99.19 0.05 0.03 0.58 99.26 0.08 0.00 0.00 0.00 37 L H H 15.36 18.71 17.21 36.09 92.13 50.59 -65.21 -40.96 0.72 0.00 99.28 0.06 0.04 0.47 99.31 0.11 0.00 0.00 0.00 38 S H H 31.98 11.16 18.64 30.72 91.64 52.78 -63.26 -40.99 0.66 0.00 99.34 0.08 0.04 0.40 99.33 0.14 0.00 0.00 0.00 39 E H H 105.04 2.02 22.40 22.65 91.88 50.41 -64.51 -41.20 0.95 0.00 99.05 0.11 0.05 0.66 98.86 0.32 0.00 0.00 0.00 40 H H H 53.58 8.85 17.12 27.59 92.18 49.46 -65.64 -40.17 1.19 0.00 98.81 0.09 0.07 0.93 98.26 0.64 0.00 0.00 0.00 41 L H H 29.40 15.23 11.99 27.77 91.97 52.22 -65.78 -35.83 2.18 0.00 97.82 0.18 0.16 1.73 96.71 1.21 0.00 0.00 0.00 42 K H H 141.66 2.07 16.29 18.70 92.41 52.24 -67.00 -34.49 9.17 0.01 90.82 0.38 0.47 8.18 89.84 1.12 0.01 0.00 0.00 43 V H H 105.85 1.61 15.23 16.36 96.69 42.97 -79.19 -33.68 17.20 0.01 82.78 0.57 1.85 14.33 82.49 0.72 0.02 0.00 0.01 44 H C C 83.49 7.80 10.12 19.35 108.23 35.29 -117.71 74.79 86.72 0.27 13.01 50.47 21.42 13.50 12.97 1.27 0.00 0.06 0.31 45 K C T 147.69 3.23 12.63 17.75 98.35 -160.38 -62.90 -17.56 95.13 0.14 4.72 14.27 9.54 71.29 1.59 3.13 0.00 0.07 0.11 46 K C T 153.77 2.11 14.00 16.55 97.58 52.57 -84.49 23.81 95.09 0.16 4.76 10.35 13.84 70.79 1.34 3.50 0.00 0.07 0.12 47 D C C 51.17 10.26 9.59 21.17 108.23 126.36 -92.55 103.83 93.96 0.34 5.71 84.15 7.48 2.81 3.00 2.10 0.00 0.10 0.36 48 H H H 131.70 3.17 14.54 19.24 94.76 -173.18 -69.52 -27.40 40.75 0.20 59.05 15.48 7.15 18.71 48.84 9.57 0.01 0.07 0.15 49 H H H 117.41 3.08 16.97 20.25 93.46 58.45 -69.51 -31.46 29.72 0.13 70.15 7.27 4.33 17.84 61.83 8.58 0.02 0.05 0.08 50 S H H 23.69 12.83 13.45 27.34 92.79 56.44 -65.99 -37.32 17.27 0.12 82.61 7.93 2.49 6.80 75.66 7.00 0.01 0.06 0.05 51 H H H 85.85 9.98 17.22 27.65 92.15 53.91 -64.04 -40.49 7.03 0.06 92.91 3.29 1.13 2.75 90.61 2.16 0.00 0.02 0.02 52 R H H 138.58 1.96 22.01 22.54 91.87 50.78 -64.67 -41.83 1.70 0.01 98.30 0.46 0.22 0.84 97.97 0.51 0.00 0.00 0.00 53 G H H 19.98 8.41 18.68 28.57 91.91 50.69 -63.92 -41.89 1.18 0.00 98.81 0.28 0.12 0.63 98.59 0.38 0.00 0.00 0.00 54 L H H 24.87 17.97 15.97 33.81 92.02 50.52 -64.26 -41.61 0.56 0.00 99.43 0.11 0.05 0.31 99.28 0.25 0.00 0.00 0.00 55 L H H 88.86 5.12 21.44 26.95 91.64 50.72 -64.21 -40.85 0.34 0.00 99.66 0.05 0.02 0.20 99.58 0.15 0.00 0.00 0.00 56 M H H 105.98 2.67 22.82 24.32 91.84 49.55 -65.01 -41.29 0.57 0.00 99.43 0.06 0.03 0.39 99.37 0.15 0.00 0.00 0.00 57 M H H 30.84 15.12 18.13 33.65 91.82 49.42 -65.10 -41.90 0.92 0.00 99.08 0.09 0.05 0.66 99.04 0.17 0.00 0.00 0.00 58 V H H 33.28 14.47 18.70 33.47 91.68 50.77 -63.83 -42.19 0.63 0.00 99.37 0.08 0.04 0.40 99.37 0.11 0.00 0.00 0.00 59 G H H 33.01 2.94 22.51 24.80 91.33 50.87 -63.05 -42.21 0.87 0.00 99.13 0.10 0.04 0.56 99.19 0.10 0.00 0.00 0.00 60 Q H H 75.45 6.49 21.79 28.75 91.57 49.41 -64.81 -41.36 0.64 0.00 99.36 0.07 0.03 0.41 99.40 0.09 0.00 0.00 0.00 61 R H H 36.01 18.98 17.29 35.69 91.80 50.76 -63.78 -41.76 0.34 0.00 99.66 0.04 0.02 0.21 99.67 0.06 0.00 0.00 0.00 62 R H H 109.70 8.33 21.38 30.09 91.47 51.61 -63.01 -41.35 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 63 R H H 130.33 2.24 24.31 25.12 91.54 50.06 -64.19 -41.62 0.17 0.00 99.83 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 64 L H H 24.75 14.92 19.93 35.33 91.83 49.94 -64.45 -42.34 0.16 0.00 99.84 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 65 L H H 17.20 18.86 17.74 36.65 91.57 51.14 -62.99 -41.61 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 66 R H H 124.65 2.98 23.79 26.03 91.41 51.25 -63.54 -41.52 0.24 0.00 99.76 0.01 0.01 0.16 99.76 0.06 0.00 0.00 0.00 67 Y H H 79.26 5.54 20.79 27.33 91.67 50.05 -63.86 -42.19 0.32 0.00 99.68 0.02 0.01 0.22 99.66 0.09 0.00 0.00 0.00 68 L H H 11.14 18.19 14.11 33.12 91.88 50.40 -64.43 -41.36 0.31 0.00 99.69 0.03 0.02 0.20 99.61 0.14 0.00 0.00 0.00 69 Q H H 76.54 10.67 15.22 26.56 91.57 53.08 -64.51 -37.07 0.98 0.00 99.02 0.06 0.04 0.75 98.86 0.28 0.00 0.00 0.00 70 R H H 172.92 1.14 17.99 17.79 92.98 48.92 -70.74 -34.00 3.71 0.00 96.29 0.09 0.15 3.38 96.09 0.29 0.00 0.00 0.00 71 E H H 111.84 4.02 15.59 20.50 100.13 35.13 -91.86 -31.63 10.32 0.01 89.67 0.22 1.15 8.67 89.72 0.23 0.01 0.00 0.01 72 D C C 56.96 8.30 13.34 23.27 114.20 11.64 -138.64 84.38 99.54 0.05 0.41 94.09 4.30 1.11 0.40 0.04 0.00 0.01 0.05 73 P H H 65.96 9.60 12.02 23.31 93.90 171.92 -62.13 -36.06 2.22 0.00 97.78 0.46 0.17 1.27 97.39 0.72 0.00 0.00 0.00 74 E H H 138.26 1.18 19.29 18.95 91.70 53.94 -64.36 -40.54 0.72 0.00 99.28 0.03 0.03 0.58 98.80 0.55 0.00 0.00 0.00 75 R H H 95.62 7.27 18.34 26.53 91.97 48.85 -65.77 -40.60 0.21 0.00 99.79 0.02 0.01 0.15 99.39 0.44 0.00 0.00 0.00 76 Y H H 15.46 21.30 13.61 34.81 91.57 50.93 -63.04 -43.13 0.10 0.00 99.90 0.01 0.00 0.06 99.81 0.12 0.00 0.00 0.00 77 R H H 114.14 6.30 20.98 27.97 91.35 50.89 -62.97 -41.35 0.10 0.00 99.90 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 78 A H H 49.34 2.71 21.95 23.89 91.47 50.63 -63.26 -42.47 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 79 L H H 15.55 16.18 17.36 34.48 92.00 49.73 -64.12 -43.24 0.17 0.00 99.83 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 80 I H H 18.54 17.86 14.99 33.20 91.71 49.54 -63.51 -42.76 0.27 0.00 99.73 0.03 0.01 0.17 99.68 0.11 0.00 0.00 0.00 81 E H H 132.08 1.71 18.96 20.11 91.76 49.45 -64.27 -40.90 0.76 0.00 99.24 0.05 0.03 0.56 98.94 0.41 0.00 0.00 0.00 82 K H H 131.17 2.96 17.13 20.76 91.36 51.35 -65.66 -34.16 4.26 0.00 95.74 0.11 0.14 4.04 95.19 0.51 0.00 0.00 0.00 83 L H H 40.10 15.41 12.11 27.78 93.99 46.99 -87.55 -5.52 46.52 0.03 53.45 0.53 1.50 44.02 52.81 1.09 0.01 0.01 0.03 84 G C T 55.04 1.78 20.18 21.09 95.17 -116.74 72.33 24.26 98.95 0.03 1.02 6.10 2.83 90.21 0.65 0.17 0.00 0.01 0.01 85 I C C 37.72 17.86 9.16 25.97 107.14 137.17 -93.75 76.56 97.14 0.72 2.14 85.08 6.18 6.06 1.04 0.83 0.00 0.30 0.51 86 R C C 154.67 3.91 14.71 20.32 114.58 145.33 -96.43 128.09 97.22 1.11 1.67 89.90 1.75 5.94 0.76 0.52 0.00 0.54 0.59 87 G C C 52.29 3.61 16.44 21.04 106.27 12.53 79.05 -5.55 99.97 0.02 0.01 99.76 0.15 0.07 0.00 0.00 0.00 0.01 0.00