# 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 107.27 7.18 11.73 20.05 114.17 -161.92 -92.21 127.47 99.96 0.03 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.01 0.01 1 N C C 112.79 3.26 11.59 16.30 109.37 -153.28 -92.83 106.46 97.06 1.17 1.78 92.52 1.27 3.66 0.87 0.51 0.00 0.49 0.69 2 T C C 79.22 6.80 9.55 17.69 111.01 123.39 -91.51 114.78 93.43 2.28 4.30 65.58 20.26 7.62 2.03 2.14 0.00 1.07 1.30 3 D C C 87.74 4.00 13.56 18.70 109.90 -140.81 -87.92 114.47 88.81 4.31 6.88 74.87 9.30 3.93 4.03 2.84 0.00 1.79 3.23 4 I C G 66.45 13.49 9.94 23.22 96.42 -169.74 -73.95 -20.00 52.02 1.32 46.66 30.45 8.36 13.26 15.47 31.16 0.01 0.74 0.55 5 T H G 84.44 4.91 13.43 19.88 94.61 71.23 -68.27 -27.21 47.26 1.00 51.74 18.82 9.15 19.28 17.72 34.01 0.01 0.53 0.46 6 A H G 72.68 3.16 13.80 17.93 95.12 61.85 -74.79 -16.76 47.07 0.96 51.97 23.03 9.99 14.41 16.00 35.64 0.01 0.50 0.42 7 L C C 77.19 10.75 9.84 20.95 103.53 77.36 -81.72 17.67 68.57 1.63 29.80 45.06 14.43 9.06 16.07 13.62 0.01 0.68 1.08 8 E C C 118.65 5.23 13.45 20.10 109.37 77.88 -86.76 103.30 84.19 2.76 13.04 62.85 15.36 5.65 8.46 4.49 0.00 1.15 2.04 9 K C C 145.28 3.70 14.61 20.11 112.12 -133.40 -90.99 121.08 93.66 1.87 4.47 81.14 9.38 2.95 2.69 1.57 0.00 0.77 1.51 10 A C C 36.03 15.18 8.23 22.73 119.01 -134.12 -76.96 152.36 97.96 1.12 0.92 94.21 3.01 0.91 0.43 0.29 0.00 0.42 0.72 11 Q C S 145.85 1.44 17.07 18.07 94.00 -129.16 -72.06 -22.06 99.51 0.34 0.15 23.66 74.65 1.31 0.04 0.06 0.00 0.13 0.15 12 Y C S 75.70 12.77 11.73 25.15 122.26 46.05 -116.87 133.55 99.44 0.51 0.05 7.28 91.88 0.50 0.00 0.02 0.00 0.20 0.12 13 P C C 72.35 6.11 19.92 26.42 113.49 -104.19 -66.25 147.16 97.93 1.90 0.16 89.32 8.13 0.61 0.04 0.11 0.00 1.23 0.55 14 V C C 50.93 17.94 12.85 30.02 112.05 -117.22 -77.97 127.09 59.89 39.75 0.36 57.10 1.70 0.24 0.21 0.14 0.00 18.72 21.88 15 V C C 64.14 10.70 17.63 29.03 98.35 -172.78 -86.03 -31.07 76.94 22.53 0.53 41.48 35.39 1.92 0.17 0.42 0.00 16.53 4.09 16 D C C 48.83 11.84 15.14 27.89 128.14 19.82 -135.62 134.91 75.73 23.65 0.63 51.19 22.78 2.56 0.21 0.50 0.00 17.37 5.39 17 R C S 153.35 5.92 17.06 24.57 97.34 -162.06 -80.30 -17.48 95.29 4.50 0.21 12.78 77.17 5.53 0.03 0.16 0.00 3.76 0.57 18 N C S 100.73 4.63 18.82 24.28 105.15 41.05 -112.53 60.14 98.74 1.21 0.06 8.37 88.34 2.28 0.01 0.04 0.00 0.73 0.22 19 P C C 19.12 19.80 11.34 30.93 116.81 -159.69 -70.28 146.60 99.05 0.79 0.16 93.59 5.18 0.38 0.06 0.06 0.00 0.37 0.35 20 A C C 50.44 4.23 22.95 26.84 119.95 -122.75 -76.02 157.00 92.63 6.35 1.02 87.71 2.51 0.26 0.93 0.10 0.00 0.93 7.55 21 F H H 61.26 18.77 13.55 31.66 91.17 -108.72 -57.85 -38.28 3.58 0.01 96.41 0.44 0.46 2.55 95.36 1.17 0.01 0.00 0.01 22 T H H 92.21 3.22 19.87 23.76 91.19 55.11 -63.97 -38.21 1.82 0.00 98.17 0.16 0.13 1.41 97.20 1.09 0.00 0.00 0.00 23 K H H 97.50 6.03 20.66 27.12 92.01 49.18 -67.09 -39.67 0.78 0.00 99.22 0.09 0.06 0.54 98.23 1.08 0.00 0.00 0.00 24 V H H 3.86 24.83 14.58 39.62 92.00 48.94 -64.97 -43.84 0.83 0.00 99.17 0.09 0.05 0.58 98.44 0.82 0.00 0.00 0.00 25 V H H 37.92 17.26 18.27 34.97 91.54 50.33 -63.64 -38.76 1.55 0.00 98.45 0.09 0.08 1.29 96.00 2.54 0.00 0.00 0.00 26 G H H 48.52 3.10 22.61 25.69 91.17 57.63 -68.70 -23.49 15.92 0.00 84.08 0.17 0.28 16.68 80.09 2.76 0.01 0.00 0.00 27 N H H 59.64 11.99 19.19 31.67 97.17 49.16 -96.84 -3.89 48.52 0.02 51.45 0.93 1.50 46.27 48.25 3.01 0.01 0.01 0.02 28 F C C 17.28 24.42 11.52 35.53 118.14 97.23 -82.60 140.26 96.11 2.91 0.98 56.57 37.89 0.73 0.88 0.12 0.00 0.41 3.40 29 S C C 45.05 6.58 22.55 29.27 127.52 -149.45 -97.21 167.80 99.63 0.30 0.07 99.34 0.34 0.03 0.05 0.00 0.00 0.07 0.17 30 T H H 82.62 8.12 17.24 26.26 91.11 -97.03 -59.60 -36.37 0.74 0.00 99.26 0.05 0.05 0.55 99.08 0.27 0.00 0.00 0.00 31 L H H 93.47 3.54 21.41 24.91 91.52 54.16 -64.49 -40.60 0.29 0.00 99.71 0.01 0.01 0.23 99.39 0.35 0.00 0.00 0.00 32 D H H 17.47 17.99 17.28 35.60 92.06 49.67 -64.98 -41.59 0.10 0.00 99.90 0.01 0.00 0.07 99.60 0.32 0.00 0.00 0.00 33 Y H H 40.99 19.27 18.64 37.04 91.56 50.22 -63.49 -42.41 0.05 0.00 99.95 0.00 0.00 0.03 99.91 0.06 0.00 0.00 0.00 34 L H H 79.76 6.29 23.49 29.70 91.57 50.22 -63.97 -42.07 0.12 0.00 99.88 0.00 0.00 0.09 99.85 0.05 0.00 0.00 0.00 35 R H H 102.25 7.63 24.27 31.93 91.89 48.90 -64.88 -41.67 0.38 0.00 99.62 0.01 0.01 0.35 99.54 0.10 0.00 0.00 0.00 36 F H H 19.00 21.32 19.93 40.73 91.64 49.67 -64.82 -42.13 0.83 0.00 99.17 0.03 0.03 0.73 98.98 0.24 0.00 0.00 0.00 37 S H H 26.06 17.21 21.68 37.96 91.45 51.00 -64.02 -41.67 3.52 0.01 96.47 0.12 0.13 3.17 95.69 0.87 0.01 0.00 0.00 38 T H H 71.22 4.96 26.05 30.90 92.23 49.86 -65.57 -40.81 6.83 0.01 93.16 0.23 0.29 6.32 91.13 1.99 0.02 0.00 0.01 39 I H H 57.37 11.21 24.54 35.63 92.49 48.11 -66.86 -41.79 5.90 0.04 94.06 0.48 0.48 4.84 89.32 4.80 0.04 0.02 0.02 40 T H H 8.53 23.24 19.58 42.09 92.43 49.52 -66.92 -40.03 10.01 0.05 89.93 0.59 0.55 8.63 83.39 6.74 0.04 0.03 0.03 41 G H H 24.07 14.34 22.74 36.34 92.23 53.51 -65.16 -37.37 22.15 0.08 77.76 0.94 1.14 19.25 72.03 6.47 0.06 0.04 0.05 42 I H H 91.24 4.79 26.32 31.09 92.92 50.90 -69.88 -35.52 17.73 0.13 82.14 1.63 1.87 14.14 79.62 2.54 0.06 0.06 0.07 43 S H H 22.23 15.55 21.60 36.91 92.33 57.46 -64.73 -41.09 6.11 0.05 93.84 1.92 0.89 3.02 92.82 1.31 0.01 0.02 0.01 44 V H H 19.76 20.78 19.31 39.17 92.00 52.31 -64.23 -41.73 2.17 0.02 97.81 0.56 0.23 1.23 96.81 1.15 0.00 0.01 0.00 45 T H H 62.38 6.91 23.66 30.82 91.83 50.85 -63.35 -41.92 0.99 0.01 99.00 0.21 0.08 0.59 98.13 0.97 0.00 0.00 0.00 46 V H H 70.75 4.82 23.26 27.97 91.90 49.80 -64.26 -41.58 0.86 0.00 99.13 0.11 0.06 0.59 98.23 0.99 0.00 0.00 0.00 47 G H H 7.73 17.02 15.29 32.97 91.68 51.22 -64.08 -41.63 1.77 0.01 98.22 0.18 0.12 1.33 97.13 1.23 0.00 0.00 0.00 48 Y H H 94.71 12.06 16.42 28.56 91.95 50.62 -65.11 -39.94 4.73 0.02 95.24 0.44 0.36 3.81 93.26 2.09 0.02 0.01 0.01 49 L H H 120.11 2.39 17.84 20.50 92.35 51.83 -69.32 -27.66 12.05 0.04 87.91 0.90 0.98 10.11 85.65 2.29 0.03 0.02 0.02 50 S C H 63.96 5.69 14.21 21.00 95.13 57.37 -83.95 -6.33 51.87 0.20 47.93 2.78 4.96 42.56 46.93 2.49 0.05 0.06 0.16 51 G C T 52.86 3.02 16.71 20.48 99.44 -109.80 80.58 18.06 91.69 0.32 7.99 21.29 8.51 61.91 6.49 1.45 0.00 0.14 0.19 52 I C C 58.14 14.14 9.88 24.03 114.83 161.71 -85.72 134.03 94.80 1.89 3.31 71.08 18.69 4.55 2.07 1.16 0.00 0.65 1.81 53 K C C 126.60 4.20 16.74 22.13 116.26 -142.99 -94.21 131.87 97.85 1.12 1.03 82.21 13.16 2.32 0.46 0.52 0.00 0.45 0.89 54 P C T 79.84 9.56 12.61 23.00 108.48 -107.10 -64.72 138.89 92.29 0.85 6.86 24.17 18.01 50.25 1.60 5.06 0.00 0.42 0.50 55 G C T 53.81 3.17 15.44 19.35 102.19 37.63 87.56 -10.45 91.24 0.85 7.90 20.94 21.03 49.44 1.94 5.69 0.00 0.40 0.54 56 I C C 93.31 7.28 12.52 21.00 109.19 71.60 -92.91 99.27 86.44 1.95 11.61 38.40 28.97 19.42 4.46 6.41 0.00 0.73 1.60 57 K C C 123.40 6.47 14.72 22.44 110.46 -135.72 -83.19 121.84 76.42 1.59 21.99 39.65 26.24 10.73 17.89 3.75 0.01 0.48 1.24 58 G H H 35.83 6.86 17.66 25.12 109.80 25.68 47.37 -125.03 42.77 0.39 56.84 17.51 15.36 10.79 53.41 2.57 0.02 0.12 0.23 59 P H H 67.84 6.05 19.55 26.03 95.37 34.76 -67.66 -32.74 21.02 0.30 78.67 12.07 2.90 6.69 75.52 2.55 0.01 0.14 0.13 60 S H H 23.13 15.95 17.15 32.90 93.54 54.93 -65.50 -39.54 7.10 0.14 92.75 3.90 0.91 2.54 90.04 2.48 0.00 0.08 0.04 61 M H H 54.35 16.97 19.53 35.16 92.89 51.73 -64.41 -41.04 2.97 0.09 96.94 1.46 0.35 1.17 95.24 1.69 0.00 0.06 0.02 62 V H H 81.33 5.14 25.20 30.63 92.11 49.53 -64.86 -41.71 2.37 0.09 97.55 0.97 0.28 1.08 96.68 0.90 0.00 0.06 0.02 63 T H H 52.78 8.19 25.31 33.60 91.68 48.13 -65.01 -41.85 1.54 0.03 98.43 0.53 0.16 0.74 98.21 0.33 0.00 0.02 0.01 64 G H H 4.50 21.51 19.59 40.87 91.83 50.88 -64.15 -42.22 0.74 0.00 99.26 0.19 0.06 0.38 99.18 0.19 0.00 0.00 0.00 65 G H H 17.10 15.82 23.09 38.19 91.57 51.03 -63.50 -41.97 0.50 0.00 99.50 0.09 0.03 0.30 99.39 0.19 0.00 0.00 0.00 66 L H H 84.30 4.79 27.95 33.18 91.54 49.45 -64.37 -42.04 0.43 0.00 99.57 0.05 0.02 0.29 99.42 0.21 0.00 0.00 0.00 67 I H H 47.06 12.80 25.96 38.62 91.74 48.84 -64.71 -42.07 0.42 0.00 99.57 0.07 0.03 0.27 99.43 0.19 0.00 0.00 0.00 68 G H H 4.83 22.64 21.22 43.21 91.74 51.31 -63.47 -42.84 0.69 0.01 99.31 0.10 0.05 0.47 99.01 0.36 0.00 0.00 0.00 69 L H H 61.27 12.67 26.72 39.20 91.67 49.19 -63.94 -41.99 1.04 0.01 98.95 0.11 0.06 0.80 98.48 0.54 0.01 0.01 0.00 70 M H H 78.41 7.27 28.59 36.41 91.60 48.93 -64.30 -41.91 1.25 0.01 98.74 0.17 0.10 0.93 98.48 0.30 0.00 0.00 0.00 71 G H H 8.98 16.89 24.38 41.17 91.58 51.14 -63.74 -42.65 1.24 0.00 98.75 0.16 0.09 0.88 98.69 0.18 0.00 0.00 0.00 72 G H H 7.99 19.49 23.40 42.33 91.55 51.30 -63.98 -42.18 0.99 0.00 99.01 0.11 0.06 0.71 98.98 0.13 0.00 0.00 0.00 73 F H H 68.44 12.69 26.56 39.06 91.70 50.14 -64.07 -42.24 0.24 0.00 99.76 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 74 M H H 60.49 11.42 26.81 37.91 91.52 50.29 -64.16 -42.34 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 75 Y H H 46.74 16.84 24.95 41.01 91.78 49.35 -64.57 -42.05 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 76 A H H 16.85 18.40 23.01 40.77 91.57 50.55 -63.84 -42.16 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 77 Y H H 81.12 11.32 25.93 37.04 91.73 49.42 -65.12 -41.81 0.42 0.00 99.57 0.03 0.02 0.34 99.53 0.09 0.00 0.00 0.00 78 Q H H 56.33 12.22 25.27 37.13 91.87 50.05 -64.76 -41.24 1.14 0.00 98.86 0.08 0.07 0.88 98.83 0.13 0.00 0.00 0.00 79 N H H 33.95 16.24 23.08 38.83 91.90 49.33 -65.63 -40.62 2.72 0.00 97.28 0.27 0.24 2.00 97.08 0.40 0.00 0.00 0.00 80 S H H 25.71 14.13 22.40 36.68 91.93 51.20 -64.48 -40.77 4.99 0.02 94.99 0.65 0.51 3.54 94.31 0.96 0.01 0.01 0.01 81 A H H 36.06 9.11 23.13 32.41 91.46 50.67 -64.34 -40.74 6.30 0.03 93.68 0.65 0.68 4.66 92.36 1.59 0.03 0.01 0.01 82 G H H 13.90 11.22 19.33 31.91 91.63 51.42 -65.03 -39.64 9.24 0.06 90.70 1.18 1.02 6.64 87.88 3.17 0.06 0.03 0.03 83 R H H 69.01 14.00 17.04 30.96 92.07 51.79 -65.60 -40.63 7.55 0.09 92.36 0.92 0.81 5.38 85.03 7.63 0.14 0.04 0.04 84 L H H 80.73 9.51 17.66 27.59 91.53 52.44 -67.84 -30.38 12.25 0.06 87.69 0.61 0.77 10.88 81.20 6.41 0.08 0.03 0.03 85 M C T 107.24 4.57 16.86 21.93 93.59 49.61 -89.02 -4.21 62.85 0.21 36.94 1.12 3.38 58.30 31.39 5.44 0.07 0.09 0.22 86 G C T 41.42 6.50 14.40 22.13 99.18 -106.20 84.52 14.56 99.51 0.07 0.42 3.07 6.03 90.52 0.18 0.13 0.00 0.04 0.03 87 F C S 123.94 5.15 13.95 20.43 97.65 124.83 -84.16 -19.26 99.00 0.74 0.26 27.95 68.42 2.72 0.09 0.14 0.00 0.31 0.37 88 F C S 116.57 4.13 15.86 21.26 129.58 28.10 -133.44 145.20 98.61 1.30 0.09 13.68 84.62 0.62 0.03 0.04 0.00 0.48 0.54 89 P C C 78.67 7.94 14.00 23.13 113.50 -103.68 -66.06 144.22 99.05 0.74 0.21 89.26 8.90 0.89 0.09 0.09 0.00 0.29 0.47 90 N C C 51.51 12.97 10.82 24.34 108.05 -139.07 -95.61 109.14 98.20 0.50 1.30 95.85 1.77 0.67 0.96 0.16 0.00 0.13 0.47 91 D H H 113.68 1.93 15.75 18.36 94.12 -149.28 -63.72 -32.48 8.16 0.04 91.80 3.12 1.62 3.25 90.86 1.11 0.00 0.01 0.02 92 G H H 43.35 2.22 16.42 18.49 92.94 52.80 -65.31 -39.29 4.01 0.02 95.97 0.99 0.54 2.22 95.03 1.20 0.00 0.01 0.01 93 E H H 52.32 11.27 13.44 25.77 92.74 50.78 -65.86 -40.48 1.75 0.02 98.23 0.65 0.21 0.80 97.30 1.03 0.00 0.01 0.00 94 V H H 45.44 9.60 14.22 25.29 92.05 50.85 -63.87 -42.20 1.14 0.01 98.85 0.42 0.14 0.50 98.37 0.57 0.00 0.01 0.00 95 A H H 57.04 1.97 18.32 19.37 91.50 50.41 -63.46 -41.59 1.48 0.01 98.51 0.43 0.14 0.75 98.09 0.58 0.00 0.01 0.00 96 S H H 50.32 3.72 16.34 21.05 92.01 50.38 -64.81 -40.48 3.03 0.02 96.95 0.59 0.25 1.94 96.30 0.90 0.00 0.01 0.00 97 Y H H 66.90 11.68 12.24 24.81 92.52 50.66 -65.30 -40.39 5.76 0.04 94.20 1.34 0.64 3.51 93.18 1.29 0.01 0.01 0.01 98 Q H H 113.19 4.00 14.37 19.62 92.14 52.48 -65.72 -35.95 12.64 0.09 87.28 2.96 1.43 7.82 86.00 1.71 0.01 0.04 0.04 99 K H H 151.29 1.28 14.52 15.43 94.07 53.06 -71.36 -31.16 24.98 0.21 74.80 5.25 3.54 16.24 72.78 1.97 0.03 0.09 0.12 100 R H H 140.36 4.32 11.82 17.58 98.62 51.78 -84.73 -8.03 48.35 0.57 51.08 11.42 9.97 27.26 48.61 2.16 0.05 0.20 0.34 101 G C T 45.15 5.51 11.90 18.79 107.92 -83.10 70.98 28.19 76.35 0.93 22.71 26.34 12.02 38.42 18.56 3.72 0.01 0.39 0.52 102 G C C 47.11 5.27 11.39 18.04 108.16 22.45 -38.01 4.48 83.65 2.40 13.95 40.44 19.31 24.90 6.84 6.15 0.01 1.17 1.18 103 F C C 141.20 4.33 9.82 15.70 107.78 72.73 -90.91 71.86 83.17 5.65 11.18 48.77 19.22 15.78 4.92 5.70 0.02 3.08 2.50 104 S C C 76.36 4.05 8.89 14.73 111.81 143.63 -92.06 120.37 92.36 2.77 4.87 82.15 2.51 8.50 1.98 1.96 0.00 1.81 1.08 105 K C C 154.65 2.46 11.54 15.57 105.97 -150.22 -86.12 61.98 99.92 0.06 0.02 99.83 0.08 0.05 0.01 0.00 0.00 0.03 0.01