# 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 M C C 97.48 8.89 12.79 22.41 113.53 -161.04 -91.57 124.03 99.53 0.18 0.28 99.32 0.17 0.16 0.21 0.02 0.00 0.09 0.04 1 N C C 106.84 4.13 12.64 18.13 109.79 -149.90 -90.99 110.71 73.53 3.65 22.83 67.52 1.72 5.01 19.37 2.87 0.00 2.22 1.28 2 A C C 60.35 7.60 9.99 18.78 109.81 -149.52 -90.27 108.81 48.33 7.80 43.87 34.04 6.03 8.22 32.60 11.25 0.03 6.43 1.40 3 L H H 95.88 5.51 12.62 19.46 108.64 -147.68 -87.24 104.57 34.47 14.77 50.75 21.77 5.80 7.33 35.22 15.01 0.10 13.01 1.75 4 I H H 82.11 9.17 12.30 22.27 106.87 107.36 -87.53 63.20 29.52 17.91 52.57 17.55 5.64 7.37 36.50 15.18 0.17 15.60 1.98 5 F H H 93.58 9.80 12.15 22.69 109.30 71.89 -93.58 100.87 37.69 17.85 44.46 23.19 6.70 8.31 32.55 11.65 0.16 14.90 2.54 6 R C C 139.17 5.15 14.08 20.35 104.90 90.46 -84.01 12.66 53.81 12.25 33.93 31.21 10.62 12.05 28.27 5.98 0.12 9.49 2.25 7 N C C 87.66 6.13 14.10 21.24 106.91 28.95 -87.60 81.21 64.69 4.68 30.64 33.73 15.04 15.78 26.64 4.53 0.05 2.99 1.24 8 T C H 69.52 9.53 13.17 23.21 100.69 65.69 -82.99 -7.12 51.88 2.88 45.24 22.25 14.44 16.51 38.76 5.33 0.10 1.70 0.91 9 N H H 89.96 6.09 15.89 22.74 99.36 74.19 -76.18 -25.93 39.15 4.76 56.09 18.88 8.84 13.50 47.18 6.72 0.14 3.67 1.06 10 F H H 94.59 7.35 15.74 24.01 98.43 63.02 -72.23 -35.75 26.06 8.06 65.88 13.58 5.05 9.21 55.16 8.24 0.21 7.40 1.14 11 L H H 54.96 12.37 15.50 28.12 96.94 58.49 -71.35 -36.46 18.32 9.21 72.47 9.69 3.38 6.66 62.11 7.88 0.17 9.24 0.87 12 F H H 77.12 11.70 15.88 27.81 97.26 55.99 -71.98 -34.16 15.33 7.24 77.43 7.94 2.99 5.98 67.26 7.63 0.15 7.41 0.64 13 N H H 86.23 5.36 18.08 23.97 97.04 54.33 -72.08 -32.19 18.01 5.90 76.10 8.83 3.27 7.42 66.73 7.09 0.13 5.92 0.61 14 W H H 112.51 8.08 16.84 25.63 99.48 51.81 -76.78 -31.69 19.79 5.64 74.57 9.05 3.78 8.60 64.62 7.82 0.17 5.22 0.74 15 I H H 54.87 12.94 14.11 27.30 98.98 56.42 -76.98 -31.78 26.15 6.43 67.41 12.05 5.05 10.84 58.71 6.59 0.20 5.43 1.12 16 S H H 54.29 8.40 14.55 23.84 100.66 60.31 -79.62 -17.47 44.56 5.29 50.15 19.20 7.51 18.90 44.33 4.91 0.11 3.85 1.21 17 Q C H 118.92 3.65 14.74 19.28 100.69 63.90 -86.73 -6.09 62.79 4.15 33.06 24.67 17.34 21.26 28.76 4.15 0.10 2.47 1.25 18 S C C 51.78 7.51 11.07 20.06 112.03 94.77 -91.94 131.06 74.32 2.93 22.75 43.42 20.94 9.27 20.37 3.39 0.02 1.54 1.05 19 S H H 81.80 3.12 13.33 17.76 96.44 -144.80 -68.35 -27.13 39.03 1.36 59.61 16.61 9.09 14.48 46.79 11.68 0.07 0.79 0.49 20 S H H 69.25 3.51 13.80 18.38 95.70 59.50 -69.21 -31.89 32.76 2.28 64.96 13.29 6.05 14.25 50.64 13.35 0.14 1.65 0.62 21 M H H 76.92 8.86 12.35 22.29 95.50 53.36 -71.53 -29.76 23.77 4.63 71.61 11.44 4.52 8.93 54.66 15.59 0.15 3.82 0.90 22 L H H 82.98 7.22 13.66 22.14 95.02 59.77 -67.71 -35.51 23.16 4.54 72.30 10.69 4.48 9.30 57.77 12.86 0.18 3.81 0.92 23 G H H 42.60 4.04 15.88 20.51 95.84 53.37 -67.76 -35.41 33.73 3.78 62.49 12.71 5.32 16.41 51.14 10.33 0.16 3.12 0.80 24 L H H 89.07 6.37 13.93 21.44 97.56 57.09 -73.67 -30.61 34.10 4.81 61.09 15.63 6.97 13.44 50.36 8.68 0.19 3.56 1.18 25 L H H 87.95 6.46 14.08 21.67 98.37 62.15 -72.19 -28.82 36.66 4.37 58.98 15.42 8.20 14.72 52.03 5.31 0.20 3.01 1.12 26 G H H 38.65 4.94 16.32 22.05 99.15 44.29 -61.92 -36.50 42.39 4.13 53.48 18.12 8.05 17.31 48.13 4.39 0.12 2.96 0.93 27 I H H 83.92 6.53 14.02 21.79 96.91 55.93 -71.06 -37.35 28.89 5.83 65.28 18.68 5.49 6.51 60.32 3.44 0.06 4.49 1.01 28 R H H 118.67 6.68 14.80 22.44 96.73 53.76 -71.73 -35.55 22.20 5.26 72.53 15.45 3.56 4.75 67.50 3.46 0.03 4.52 0.73 29 K H H 122.90 3.68 16.28 20.60 96.39 51.81 -71.39 -35.60 21.31 4.08 74.61 12.83 3.62 6.08 69.55 3.64 0.04 3.68 0.56 30 N H H 83.78 4.43 16.18 21.21 97.82 50.03 -75.06 -31.64 21.43 2.84 75.73 12.57 3.52 6.54 71.29 3.14 0.03 2.42 0.48 31 M H H 81.63 6.62 15.13 22.90 95.39 56.07 -67.67 -39.25 14.44 1.88 83.68 9.30 2.55 3.76 80.11 2.35 0.02 1.62 0.30 32 S H H 51.09 5.31 15.67 22.11 94.74 53.52 -67.40 -40.27 11.73 1.71 86.56 7.27 1.87 3.48 83.38 2.20 0.02 1.54 0.24 33 F H H 110.02 3.68 16.45 20.55 94.46 50.77 -67.67 -40.49 9.20 1.70 89.10 5.38 1.60 3.13 85.81 2.26 0.02 1.57 0.23 34 Q H H 96.38 3.74 16.49 20.74 93.61 51.90 -66.74 -39.56 8.94 1.62 89.44 5.30 1.50 2.96 86.69 1.83 0.02 1.49 0.21 35 L H H 78.54 5.33 14.64 21.12 93.56 51.50 -66.93 -39.93 9.96 1.41 88.63 5.55 1.64 3.53 86.09 1.73 0.02 1.23 0.22 36 Q H H 99.61 3.70 15.52 19.91 92.96 51.89 -66.45 -39.57 11.02 1.00 87.99 6.25 1.84 3.69 85.53 1.67 0.02 0.80 0.19 37 E H H 110.70 2.61 15.90 18.65 93.35 50.56 -67.34 -39.53 12.35 1.06 86.60 6.28 2.01 4.87 83.62 2.12 0.02 0.86 0.22 38 E H H 102.75 3.19 15.56 19.21 94.13 50.54 -67.15 -39.36 16.05 0.93 83.02 7.42 2.45 6.83 80.07 2.30 0.03 0.69 0.23 39 T H H 67.68 4.01 14.45 19.52 94.91 51.10 -68.45 -39.21 22.56 1.05 76.39 11.73 3.58 8.18 73.20 2.32 0.02 0.65 0.32 40 A H H 59.12 3.64 14.39 19.03 94.38 52.80 -66.94 -38.14 25.78 1.08 73.13 15.81 4.21 6.90 69.38 2.75 0.01 0.61 0.33 41 E H H 112.81 2.81 14.80 18.12 95.34 52.75 -69.19 -37.05 28.46 1.33 70.21 15.48 4.79 9.16 66.14 3.23 0.02 0.80 0.38 42 D H H 84.11 3.32 14.40 18.44 96.39 53.13 -71.09 -34.84 31.46 1.17 67.37 18.14 4.87 9.11 63.76 3.07 0.02 0.67 0.35 43 K H H 117.02 3.20 14.62 18.47 95.10 55.06 -68.13 -37.55 30.56 1.29 68.16 18.47 5.57 7.35 64.61 2.88 0.01 0.72 0.37 44 T H H 69.72 4.16 14.67 19.89 94.84 52.46 -68.40 -39.15 29.05 1.86 69.09 18.58 4.64 6.69 65.95 2.47 0.02 1.20 0.45 45 Q H H 94.62 4.45 15.16 20.56 94.20 53.05 -67.50 -39.18 26.00 1.98 72.02 17.12 3.93 5.84 68.88 2.39 0.01 1.43 0.40 46 K H H 116.17 2.82 16.38 19.42 93.28 53.14 -66.16 -40.14 18.52 2.20 79.28 11.57 2.89 5.05 75.89 2.34 0.02 1.91 0.34 47 K H H 105.97 3.59 16.79 20.89 92.72 51.13 -65.98 -40.66 12.69 2.11 85.20 7.89 1.91 3.77 82.11 2.08 0.01 1.96 0.27 48 L H H 68.97 6.72 15.54 23.51 92.49 50.98 -64.86 -40.85 9.31 1.57 89.12 5.50 1.37 2.95 86.69 1.80 0.01 1.47 0.21 49 N H H 79.47 4.36 17.26 22.28 92.38 50.93 -65.32 -40.14 8.48 0.77 90.74 4.76 1.25 2.90 88.80 1.51 0.01 0.61 0.15 50 E H H 106.18 2.73 18.34 20.82 92.40 50.32 -65.72 -40.11 7.37 0.32 92.31 3.89 1.10 2.67 90.93 1.11 0.01 0.20 0.09 51 L H H 76.38 5.49 17.04 23.45 92.35 50.41 -65.60 -40.74 5.98 0.19 93.83 3.03 0.88 2.23 92.86 0.82 0.00 0.11 0.06 52 L H H 69.26 7.34 16.64 24.98 92.30 50.18 -65.11 -41.28 3.70 0.12 96.18 1.94 0.58 1.36 95.43 0.58 0.01 0.06 0.04 53 Q H H 94.45 3.83 18.58 22.65 92.20 50.62 -65.08 -40.84 2.05 0.08 97.87 0.88 0.27 0.92 97.46 0.40 0.00 0.05 0.02 54 G H H 31.72 3.88 17.82 22.38 92.15 50.69 -64.18 -42.08 2.42 0.08 97.51 0.88 0.31 1.23 97.08 0.43 0.01 0.04 0.03 55 A H H 43.55 6.44 16.70 24.38 92.24 50.55 -64.30 -41.74 1.75 0.03 98.21 0.59 0.19 0.93 97.86 0.40 0.00 0.01 0.01 56 F H H 93.82 6.12 16.53 23.51 92.37 49.81 -65.15 -40.75 1.77 0.03 98.21 0.49 0.17 1.06 97.56 0.70 0.00 0.01 0.01 57 D H H 83.58 3.43 17.04 20.90 92.22 51.01 -65.61 -39.45 4.05 0.03 95.92 0.56 0.28 3.11 94.88 1.15 0.01 0.02 0.01 58 F H H 114.71 3.97 15.93 20.50 92.81 50.66 -67.49 -37.90 10.15 0.07 89.78 0.97 0.74 8.37 88.27 1.56 0.04 0.03 0.03 59 T H H 69.82 5.97 14.57 21.48 94.32 51.64 -71.41 -29.59 25.59 0.54 73.87 4.65 3.75 17.96 70.91 2.07 0.13 0.23 0.29 60 N C H 85.97 6.01 14.29 21.32 96.87 53.53 -73.99 -11.59 53.06 1.39 45.55 18.72 7.40 27.90 41.25 3.35 0.05 0.62 0.71 61 R C H 136.82 4.94 13.48 19.70 98.36 85.23 -76.65 -18.90 57.45 3.61 38.95 28.19 10.87 19.84 29.56 7.94 0.09 1.82 1.69 62 N C C 93.94 5.81 12.57 19.57 101.97 57.61 -86.80 14.67 67.16 3.30 29.54 34.71 9.96 22.65 21.58 7.79 0.03 1.73 1.55 63 A C C 69.89 5.47 11.57 18.43 102.84 105.39 -85.70 10.58 77.77 3.76 18.47 41.72 18.93 17.59 11.26 6.79 0.02 1.88 1.81 64 R C S 146.37 3.47 12.17 17.29 117.96 107.42 -98.12 136.86 93.34 4.68 1.99 41.58 50.37 1.83 1.33 0.58 0.00 1.71 2.59 65 P C C 88.85 4.60 11.96 18.27 114.70 -106.33 -68.51 145.37 98.09 1.10 0.81 89.21 8.08 0.86 0.47 0.27 0.00 0.57 0.53 66 P C C 68.95 8.24 8.80 18.38 112.79 -105.88 -66.16 147.46 90.17 2.01 7.83 81.49 4.42 4.65 3.83 3.40 0.00 0.95 1.27 67 K C C 154.22 1.89 10.54 13.47 105.26 -130.91 -78.93 26.75 79.09 5.27 15.64 46.20 21.17 11.75 7.03 8.05 0.03 2.10 3.67 68 K C C 151.78 1.83 9.68 12.59 108.90 9.62 -86.90 125.75 68.10 9.31 22.58 34.40 20.44 14.38 9.12 12.10 0.13 3.95 5.49 69 A C C 77.08 3.46 8.51 13.59 103.69 -33.48 -78.96 -6.90 68.75 3.97 27.28 31.35 15.45 22.86 8.44 17.80 0.04 2.03 2.01 70 N C C 108.73 3.40 8.94 13.91 105.27 57.66 -91.84 49.78 73.82 3.07 23.12 28.87 16.82 28.83 6.24 16.09 0.03 1.54 1.58 71 H C T 144.90 2.40 10.03 13.74 103.61 82.96 -88.55 30.17 78.71 2.73 18.56 24.86 20.62 33.96 4.37 13.24 0.02 1.30 1.62 72 G C C 46.71 4.51 10.44 16.51 111.07 -31.36 82.75 156.59 88.88 2.81 8.31 32.15 25.99 31.07 1.65 6.44 0.00 1.39 1.31 73 A C C 76.30 3.77 11.59 16.84 111.29 71.24 -89.01 132.36 87.54 6.93 5.54 56.99 22.24 7.89 1.65 4.00 0.00 3.28 3.95 74 R C C 134.63 5.49 11.13 18.37 117.98 -127.82 -93.40 138.43 92.07 5.76 2.16 70.04 20.55 1.43 1.49 0.73 0.00 2.62 3.13 75 P C C 77.44 6.44 12.60 20.50 112.28 -106.54 -67.50 149.66 86.69 4.29 9.01 68.54 9.18 8.69 6.24 2.88 0.00 2.45 2.00 76 C C C 67.88 8.67 10.92 20.67 111.93 -107.80 -84.63 134.30 85.28 3.52 11.20 65.60 10.43 8.74 8.62 2.92 0.00 1.65 2.05 77 S C C 52.70 5.92 12.73 20.16 116.37 -145.85 -90.63 159.33 63.20 2.47 34.33 47.76 10.45 4.44 32.79 2.32 0.01 1.03 1.21 78 S H H 71.17 3.63 13.25 17.98 94.40 -109.84 -65.03 -34.75 17.71 0.60 81.70 10.27 4.27 4.45 78.72 1.79 0.01 0.26 0.22 79 V H H 82.46 3.18 13.87 17.95 92.89 54.50 -66.05 -40.23 6.39 0.26 93.35 3.25 1.17 2.50 91.10 1.75 0.01 0.16 0.07 80 M H H 78.83 5.20 12.96 19.77 92.52 51.09 -65.42 -40.19 4.02 0.21 95.77 2.19 0.66 1.57 93.48 1.89 0.01 0.15 0.04 81 R H H 111.57 4.25 13.61 19.16 92.39 51.57 -65.39 -40.38 3.84 0.21 95.95 1.91 0.58 1.65 93.82 1.85 0.01 0.15 0.04 82 R H H 129.87 2.39 14.72 17.45 92.65 50.71 -65.96 -39.79 5.35 0.32 94.34 2.27 0.75 2.58 92.23 1.86 0.01 0.24 0.06 83 L H H 83.65 3.48 13.85 18.40 92.89 50.84 -66.47 -39.17 9.54 0.50 89.96 3.57 1.42 4.93 87.65 1.93 0.03 0.36 0.12 84 K H H 109.57 4.19 13.58 18.93 93.68 52.60 -67.61 -36.93 19.06 0.62 80.32 7.66 3.00 8.80 77.96 1.98 0.04 0.35 0.22 85 K H H 118.04 3.36 13.50 17.71 95.32 54.37 -69.22 -35.30 25.18 0.63 74.19 12.70 4.22 9.28 69.95 3.25 0.04 0.31 0.25 86 K H H 119.27 3.08 13.42 17.30 95.52 56.01 -69.11 -35.76 24.52 0.71 74.77 13.34 3.75 8.38 68.91 4.97 0.02 0.38 0.26 87 Y H H 129.12 3.55 13.41 17.82 95.78 53.81 -70.55 -36.38 22.83 0.83 76.34 13.08 3.80 6.96 69.08 6.31 0.02 0.48 0.27 88 F H H 108.30 4.79 12.48 18.58 95.92 55.11 -70.88 -37.65 24.98 1.19 73.83 14.68 4.07 7.36 67.12 5.65 0.02 0.72 0.37 89 Y H H 126.51 4.46 12.28 18.04 97.04 57.17 -73.34 -33.26 32.84 1.45 65.70 20.01 4.73 8.95 60.56 4.41 0.02 0.81 0.51 90 R H H 139.40 3.40 12.30 16.78 99.08 59.34 -77.48 -24.65 36.91 1.76 61.33 23.48 5.67 8.51 56.94 3.78 0.02 0.99 0.60 91 R H H 142.29 3.59 11.46 16.30 99.17 60.81 -77.63 -22.25 39.33 1.92 58.75 23.79 7.20 9.25 53.94 4.07 0.02 1.11 0.63 92 T H H 75.04 4.57 10.46 16.51 105.44 62.11 -84.96 9.55 41.23 1.68 57.09 26.13 7.15 9.08 51.10 5.00 0.02 0.88 0.63 93 K H H 139.80 2.98 10.58 14.97 99.42 56.60 -76.43 -14.28 38.46 1.45 60.09 21.99 7.11 10.37 46.43 12.73 0.03 0.78 0.56 94 E H H 136.06 2.22 10.75 14.08 103.22 69.86 -82.99 6.34 45.87 1.40 52.73 18.88 8.47 19.37 38.67 13.16 0.07 0.72 0.66 95 A C T 77.60 3.13 10.01 14.64 104.54 64.41 -86.76 36.93 62.22 1.41 36.37 26.22 10.47 26.79 24.52 10.53 0.03 0.65 0.79 96 M C C 108.34 5.03 8.74 15.59 112.80 88.86 -92.28 128.17 91.44 1.80 6.76 51.14 37.06 3.30 5.27 1.38 0.00 0.55 1.30 97 T C C 89.74 2.91 9.98 14.54 116.94 -131.90 -83.74 143.20 95.19 1.11 3.69 84.80 8.24 2.29 2.37 1.12 0.00 0.52 0.66 98 P C C 98.24 3.56 8.38 13.87 109.06 -105.35 -67.82 146.05 83.34 1.93 14.73 61.80 9.15 12.12 4.09 10.86 0.00 1.09 0.88 99 E C C 149.95 1.68 8.92 11.92 109.28 -126.47 -85.93 122.67 80.55 4.78 14.66 52.64 13.94 13.92 3.93 10.92 0.00 2.91 1.73 100 M C C 129.66 3.22 7.43 12.51 114.23 -134.05 -93.08 131.27 79.53 7.08 13.39 55.40 16.68 7.35 4.41 9.04 0.01 4.28 2.83 101 E C C 139.91 2.04 8.89 12.62 116.52 -138.95 -93.28 136.01 92.98 4.32 2.70 71.36 20.41 1.52 1.71 0.89 0.00 2.82 1.30 102 P C C 95.09 3.67 7.67 13.38 113.78 -108.77 -67.16 146.51 89.15 4.32 6.53 81.68 4.65 3.26 3.90 2.25 0.00 3.01 1.25 103 K C C 150.93 2.32 7.72 11.90 113.49 -126.56 -87.33 135.70 82.14 4.76 13.10 64.40 11.39 6.38 7.01 5.94 0.00 2.70 2.16 104 K C C 156.04 1.78 7.59 10.97 114.90 -134.38 -89.04 133.88 74.58 5.28 20.13 53.83 13.40 7.74 7.88 12.07 0.00 3.53 1.55 105 K C C 157.86 1.79 7.94 11.13 112.24 -142.53 -89.16 126.64 70.57 6.79 22.64 48.82 12.31 9.97 6.86 15.58 0.01 4.88 1.57 106 F C C 145.82 3.42 6.04 11.14 113.65 -147.98 -96.12 128.41 68.95 9.90 21.15 47.76 10.95 10.79 5.93 14.98 0.01 7.40 2.17 107 E C C 152.46 1.27 7.81 10.42 113.68 -147.43 -92.16 126.98 80.40 7.88 11.72 72.31 2.30 7.16 4.83 5.40 0.00 5.65 2.36 108 L C C 119.52 3.62 8.63 14.11 108.59 -142.21 -85.89 115.32 99.84 0.11 0.05 99.67 0.13 0.10 0.02 0.00 0.00 0.06 0.02