# 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 110.06 6.79 14.49 22.37 116.38 -160.28 -98.01 133.17 99.84 0.14 0.01 99.78 0.09 0.03 0.00 0.00 0.00 0.07 0.02 1 M C C 96.82 8.89 9.53 19.38 115.05 -147.86 -92.64 131.29 89.63 8.41 1.96 86.68 1.35 2.09 0.92 0.65 0.00 4.97 3.34 2 T C C 95.21 3.43 11.99 16.99 113.95 -165.21 -96.71 130.20 87.85 8.82 3.33 63.56 14.02 10.19 1.09 2.21 0.00 6.06 2.85 3 G C C 45.99 6.50 10.25 18.03 111.35 -139.10 -82.28 146.73 91.15 5.00 3.85 53.39 25.58 12.48 0.91 2.90 0.00 3.03 1.69 4 R C C 151.65 3.98 11.56 17.22 112.61 70.64 -87.77 129.90 90.76 4.02 5.22 62.52 17.74 10.34 1.35 3.97 0.00 2.19 1.90 5 Q C C 126.19 4.06 11.21 17.11 110.71 -108.86 -81.70 129.52 89.92 3.16 6.92 41.66 17.58 31.12 1.48 5.19 0.00 1.63 1.35 6 G C C 47.86 4.79 12.79 18.98 112.08 25.64 97.04 1.79 91.34 2.44 6.23 37.94 24.57 29.14 1.20 4.90 0.00 1.21 1.04 7 R C C 145.95 5.77 12.25 19.58 109.98 -63.28 -89.31 110.38 87.26 4.52 8.22 59.18 20.45 7.33 2.54 5.70 0.00 2.17 2.63 8 A C C 56.29 7.77 12.85 21.95 118.01 -148.31 -91.37 139.95 86.45 6.07 7.47 66.89 16.14 3.39 2.91 4.55 0.00 3.28 2.83 9 T C C 81.02 6.07 15.87 22.96 112.22 -108.32 -73.19 140.64 81.12 6.60 12.28 68.56 6.84 5.43 3.48 9.09 0.00 4.07 2.54 10 F C C 64.24 17.19 10.07 26.08 103.56 -140.23 -87.07 57.09 80.08 2.87 17.05 66.02 6.05 6.44 2.33 16.44 0.00 1.53 1.19 11 Q C T 125.51 3.56 16.05 21.01 97.04 121.04 -70.02 -23.54 80.56 2.62 16.82 28.30 18.70 33.55 1.74 15.29 0.00 1.34 1.08 12 F C T 128.64 5.30 14.84 21.14 97.40 51.27 -89.75 -1.61 82.94 3.62 13.43 28.17 20.13 34.88 1.34 12.26 0.00 1.88 1.34 13 L C S 35.86 17.64 8.17 24.83 118.85 97.67 -90.92 137.91 97.19 2.48 0.33 39.47 57.59 0.56 0.13 0.13 0.00 0.91 1.21 14 P C C 63.11 4.13 15.11 20.61 114.77 -106.09 -63.81 150.40 98.97 0.51 0.52 93.07 5.22 0.79 0.31 0.13 0.00 0.23 0.25 15 D H H 110.70 2.72 12.64 17.04 91.96 -111.50 -58.85 -36.81 17.55 0.13 82.32 2.84 3.18 10.83 63.80 19.14 0.06 0.06 0.09 16 E H H 127.60 2.00 14.82 17.09 91.94 56.49 -65.68 -33.31 11.27 0.07 88.65 1.16 1.08 7.82 66.87 22.97 0.03 0.04 0.03 17 A H H 25.96 12.99 10.75 24.58 92.57 52.60 -68.98 -31.74 6.69 0.07 93.24 1.11 0.75 4.04 68.86 25.17 0.01 0.04 0.02 18 R H H 112.27 9.72 12.54 23.13 91.76 61.11 -68.86 -22.81 18.13 0.14 81.73 1.76 1.86 12.88 64.22 19.06 0.07 0.07 0.08 19 S C T 89.68 1.27 16.23 16.77 94.87 54.73 -88.32 -3.59 59.29 0.32 40.39 4.57 5.40 47.82 29.51 12.19 0.05 0.15 0.31 20 L C S 63.83 9.95 9.39 20.84 119.34 102.25 -80.56 143.58 99.16 0.44 0.40 22.05 76.51 0.67 0.25 0.08 0.00 0.10 0.34 21 P C C 98.38 2.37 16.86 19.54 114.96 -100.05 -66.53 147.60 99.71 0.25 0.04 92.33 7.18 0.21 0.01 0.02 0.00 0.09 0.16 22 P C C 66.32 13.81 12.28 25.92 116.54 -101.72 -67.13 148.26 99.64 0.28 0.08 95.47 3.86 0.30 0.02 0.04 0.00 0.09 0.21 23 P C C 44.57 12.88 13.96 27.62 115.23 -104.36 -67.19 151.88 98.56 0.57 0.87 92.58 4.26 1.79 0.24 0.53 0.00 0.23 0.39 24 K C C 137.35 3.51 19.56 23.58 109.93 -104.06 -73.71 129.45 94.51 2.57 2.92 82.67 7.29 4.00 0.77 2.18 0.00 0.99 2.11 25 L C C 59.98 16.98 10.84 26.86 99.91 -151.97 -81.23 -5.85 93.73 1.97 4.30 51.40 18.03 24.04 0.81 3.60 0.00 0.87 1.26 26 T C C 90.09 4.98 16.52 22.31 97.06 75.73 -88.80 -3.99 93.41 1.93 4.66 41.10 25.83 26.46 0.95 3.66 0.00 0.80 1.20 27 D C C 55.06 8.54 12.87 23.37 109.83 100.92 -88.89 113.44 97.51 0.96 1.52 65.86 30.43 1.12 1.02 0.42 0.00 0.25 0.91 28 P H H 87.80 5.73 13.90 21.42 92.73 -157.04 -62.44 -27.96 41.44 0.17 58.39 3.41 3.92 32.92 51.94 7.55 0.04 0.07 0.14 29 R H H 138.14 4.13 17.24 22.36 92.19 61.41 -68.44 -27.84 34.29 0.17 65.55 2.78 2.80 27.94 59.51 6.73 0.06 0.08 0.11 30 L H H 33.36 15.39 14.23 29.88 93.08 58.49 -67.60 -36.45 14.03 0.33 85.63 4.96 2.07 7.44 76.07 9.07 0.05 0.20 0.14 31 A H H 37.44 12.03 16.92 29.39 91.93 56.34 -63.27 -40.27 6.10 0.19 93.70 2.08 0.81 3.41 88.87 4.62 0.02 0.14 0.04 32 F H H 114.17 3.57 22.84 25.72 91.99 50.62 -65.44 -41.39 3.18 0.09 96.73 0.75 0.37 2.06 93.00 3.72 0.01 0.07 0.02 33 V H H 50.32 9.79 20.92 31.26 91.88 49.53 -65.18 -41.53 2.27 0.04 97.69 0.38 0.21 1.59 95.37 2.41 0.01 0.03 0.01 34 G H H 8.99 18.60 17.64 36.12 91.70 51.67 -63.59 -42.42 3.94 0.03 96.03 0.39 0.27 3.24 94.36 1.71 0.01 0.01 0.01 35 F H H 98.24 7.21 23.96 31.24 91.97 48.66 -65.44 -41.72 3.68 0.01 96.30 0.34 0.26 2.96 95.54 0.88 0.01 0.01 0.00 36 L H H 81.60 4.94 24.87 29.84 91.75 49.96 -64.79 -42.08 1.73 0.00 98.26 0.18 0.13 1.28 97.98 0.42 0.00 0.00 0.00 37 G H H 10.88 16.71 19.54 36.21 91.99 50.95 -64.08 -42.08 1.77 0.00 98.22 0.17 0.12 1.33 97.99 0.39 0.00 0.00 0.00 38 Y H H 70.44 15.31 22.48 36.78 92.03 49.29 -64.08 -42.21 1.46 0.00 98.54 0.17 0.10 1.03 98.37 0.33 0.00 0.00 0.00 39 C H H 61.89 5.42 25.33 30.70 91.85 49.75 -64.35 -42.24 1.10 0.00 98.90 0.15 0.08 0.70 98.83 0.24 0.00 0.00 0.00 40 S H H 38.27 7.81 23.72 32.02 91.82 50.77 -64.45 -42.09 0.84 0.00 99.16 0.10 0.06 0.54 99.07 0.22 0.00 0.00 0.00 41 G H H 7.93 17.78 19.15 37.08 91.61 50.61 -63.62 -42.09 0.81 0.00 99.19 0.08 0.05 0.57 99.07 0.23 0.00 0.00 0.00 42 L H H 58.41 11.77 21.54 33.28 91.81 49.83 -64.45 -41.90 0.69 0.00 99.31 0.07 0.04 0.47 99.19 0.22 0.00 0.00 0.00 43 I H H 85.25 3.59 23.78 26.75 91.62 49.31 -64.01 -42.49 0.68 0.00 99.32 0.07 0.05 0.47 99.19 0.22 0.00 0.00 0.00 44 D H H 46.07 8.40 19.75 29.18 91.96 49.75 -64.67 -41.19 1.19 0.00 98.81 0.11 0.08 0.86 98.59 0.34 0.00 0.00 0.00 45 N H H 18.90 14.27 13.87 29.51 91.81 50.10 -65.00 -40.16 2.24 0.00 97.76 0.17 0.13 1.75 97.32 0.61 0.00 0.00 0.00 46 A H H 55.36 6.18 15.83 23.17 92.40 51.47 -65.19 -39.58 3.88 0.01 96.11 0.22 0.22 3.28 95.20 1.07 0.01 0.00 0.00 47 I H H 119.03 2.20 15.93 18.26 92.43 49.70 -68.51 -33.09 12.90 0.03 87.07 0.43 0.82 11.84 85.70 1.14 0.03 0.01 0.02 48 R C T 128.95 4.27 13.51 19.03 95.94 45.81 -92.43 2.33 71.83 0.11 28.05 1.47 4.83 63.78 28.15 1.61 0.01 0.04 0.12 49 R C T 184.66 1.84 14.24 17.21 94.95 -123.18 58.14 40.12 98.00 0.04 1.96 7.36 4.22 86.64 1.48 0.26 0.00 0.02 0.02 50 R C C 95.21 7.82 10.87 20.54 123.53 144.17 -105.21 147.62 99.46 0.44 0.10 77.70 21.47 0.28 0.05 0.03 0.00 0.13 0.34 51 P C C 72.75 4.04 16.43 21.25 111.48 -97.46 -64.51 142.71 98.85 0.64 0.50 97.23 1.34 0.36 0.29 0.10 0.00 0.18 0.51 52 V H H 68.69 12.88 10.98 24.14 92.90 -126.10 -60.15 -35.29 32.66 0.46 66.88 6.14 5.45 19.49 38.43 29.87 0.08 0.21 0.32 53 L H H 111.82 3.86 16.15 20.90 91.82 60.11 -68.00 -25.67 29.26 0.28 70.45 2.54 3.30 20.85 40.60 32.25 0.13 0.14 0.20 54 L H H 101.99 3.72 17.68 21.86 96.76 45.18 -87.32 -15.17 26.04 0.39 73.57 3.77 3.59 16.38 42.29 33.45 0.12 0.19 0.21 55 A H H 23.51 15.55 12.11 27.73 100.39 75.93 -78.49 -13.98 47.85 1.12 51.04 13.25 13.50 21.92 35.89 14.07 0.12 0.43 0.81 56 G C C 24.46 8.73 18.02 27.77 105.44 -111.59 -70.46 59.04 69.22 1.00 29.78 37.51 11.49 20.76 24.71 4.45 0.01 0.34 0.74 57 L H H 76.69 10.54 15.55 26.69 93.64 -107.04 -62.07 -39.31 10.36 0.15 89.49 3.91 1.71 4.88 84.23 5.11 0.02 0.08 0.06 58 H H H 122.62 2.61 19.32 21.87 92.05 53.38 -64.53 -39.43 5.90 0.11 93.99 1.59 0.66 3.41 87.83 6.38 0.01 0.08 0.03 59 R H H 99.76 7.25 18.73 26.72 92.35 49.76 -66.27 -39.24 3.52 0.06 96.42 0.88 0.35 2.04 90.22 6.45 0.00 0.04 0.01 60 Q H H 32.47 16.24 14.79 31.21 91.98 51.54 -64.16 -41.76 3.55 0.04 96.40 0.71 0.42 2.17 93.26 3.38 0.02 0.02 0.02 61 L H H 77.56 6.59 19.26 26.65 91.95 50.48 -63.99 -41.35 2.34 0.03 97.64 0.40 0.28 1.48 96.57 1.24 0.00 0.01 0.01 62 L H H 93.25 2.52 21.05 22.71 91.87 49.23 -65.03 -41.66 1.43 0.01 98.56 0.21 0.12 0.97 97.67 1.03 0.00 0.01 0.00 63 Y H H 76.48 10.03 18.45 29.20 92.50 48.07 -66.44 -41.00 1.63 0.01 98.35 0.20 0.11 1.19 97.40 1.08 0.00 0.01 0.00 64 I H H 42.83 13.94 16.91 31.11 92.40 49.85 -64.30 -42.00 1.27 0.01 98.72 0.19 0.10 0.85 98.21 0.64 0.00 0.00 0.00 65 T H H 69.64 3.95 20.92 24.86 91.77 49.88 -64.54 -41.56 1.05 0.01 98.95 0.16 0.09 0.69 98.78 0.27 0.00 0.00 0.00 66 S H H 54.95 3.61 21.05 24.38 91.94 49.35 -64.94 -41.39 0.76 0.00 99.24 0.10 0.05 0.52 99.16 0.16 0.00 0.00 0.00 67 F H H 60.79 11.84 17.87 30.28 92.54 48.95 -66.18 -40.61 0.44 0.00 99.56 0.06 0.03 0.30 99.50 0.11 0.00 0.00 0.00 68 V H H 50.29 11.38 17.91 29.59 92.00 51.59 -64.10 -42.42 0.28 0.00 99.71 0.02 0.01 0.20 99.67 0.08 0.00 0.00 0.00 69 F H H 116.20 2.50 22.15 23.71 91.69 49.41 -64.34 -42.18 0.26 0.00 99.74 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 70 V H H 69.52 4.54 21.30 25.86 91.68 48.82 -64.58 -42.08 0.23 0.00 99.77 0.02 0.01 0.17 99.75 0.06 0.00 0.00 0.00 71 G H H 13.11 13.55 16.46 31.10 92.05 51.05 -64.16 -41.90 0.33 0.00 99.67 0.03 0.02 0.24 99.65 0.07 0.00 0.00 0.00 72 Y H H 94.99 7.76 19.43 27.81 91.82 50.40 -64.35 -41.51 0.29 0.00 99.71 0.02 0.01 0.23 99.65 0.09 0.00 0.00 0.00 73 Y H H 120.52 2.68 21.14 23.03 91.76 50.04 -64.44 -41.80 0.49 0.00 99.51 0.02 0.02 0.42 99.42 0.12 0.00 0.00 0.00 74 L H H 63.71 6.58 18.84 26.33 91.86 49.77 -64.88 -41.41 0.86 0.00 99.14 0.06 0.05 0.68 99.04 0.17 0.00 0.00 0.00 75 L H H 49.37 10.74 16.63 28.34 91.89 50.81 -64.21 -41.11 1.13 0.00 98.87 0.15 0.09 0.81 98.75 0.21 0.00 0.00 0.00 76 K H H 106.64 4.04 19.37 23.79 91.78 50.61 -64.36 -41.23 1.24 0.00 98.76 0.19 0.09 0.85 98.63 0.24 0.00 0.00 0.00 77 R H H 119.53 3.13 19.42 22.44 92.02 49.78 -65.22 -41.41 0.75 0.00 99.25 0.11 0.05 0.50 99.13 0.20 0.00 0.00 0.00 78 Q H H 68.28 7.98 17.43 26.36 91.89 50.23 -64.98 -41.30 0.35 0.00 99.65 0.06 0.02 0.22 99.57 0.12 0.00 0.00 0.00 79 D H H 63.65 6.87 17.43 25.35 91.61 50.25 -64.63 -40.63 0.37 0.00 99.63 0.05 0.02 0.25 99.52 0.16 0.00 0.00 0.00 80 Y H H 124.88 2.80 19.20 21.72 91.97 50.17 -64.73 -41.30 0.31 0.00 99.69 0.03 0.01 0.24 99.54 0.18 0.00 0.00 0.00 81 M H H 84.33 4.43 18.86 23.77 91.93 49.68 -64.59 -42.06 0.39 0.00 99.61 0.02 0.02 0.32 99.49 0.15 0.00 0.00 0.00 82 Y H H 88.03 7.63 17.52 26.26 92.42 48.58 -65.26 -40.59 1.21 0.00 98.79 0.08 0.06 1.00 98.67 0.19 0.00 0.00 0.00 83 A H H 43.18 5.19 17.09 23.62 91.86 51.83 -63.73 -41.23 1.53 0.00 98.47 0.17 0.11 1.09 98.44 0.19 0.00 0.00 0.00 84 V H H 80.44 2.51 19.69 21.45 92.06 49.21 -64.59 -41.94 1.88 0.00 98.12 0.20 0.14 1.37 98.13 0.16 0.00 0.00 0.00 85 R H H 100.30 5.76 18.12 24.76 92.09 49.63 -64.85 -41.49 1.74 0.00 98.26 0.13 0.13 1.25 98.39 0.10 0.00 0.00 0.00 86 D H H 52.81 8.31 15.97 25.58 91.77 50.71 -64.43 -41.17 1.64 0.00 98.35 0.33 0.15 0.95 98.47 0.08 0.00 0.00 0.00 87 H H H 106.16 2.74 18.46 21.01 91.69 49.70 -64.78 -40.83 0.35 0.00 99.65 0.05 0.02 0.19 99.68 0.05 0.00 0.00 0.00 88 D H H 80.58 2.89 18.42 21.16 92.09 49.45 -65.49 -41.05 0.30 0.00 99.70 0.03 0.01 0.20 99.71 0.06 0.00 0.00 0.00 89 M H H 64.29 8.98 15.55 25.65 92.18 49.40 -65.54 -40.89 0.32 0.00 99.68 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 90 F H H 94.74 6.05 16.26 23.30 91.78 51.29 -64.11 -40.99 0.18 0.00 99.82 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 91 S H H 55.88 2.13 17.57 19.21 91.61 51.08 -63.90 -41.40 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 92 Y H H 90.19 5.36 15.29 22.21 92.30 50.03 -65.09 -41.34 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.06 0.00 0.00 0.00 93 I H H 55.27 10.17 11.85 23.27 92.20 50.53 -65.85 -38.86 0.37 0.00 99.62 0.03 0.02 0.28 99.56 0.12 0.00 0.00 0.00 94 K H H 144.19 1.72 15.02 16.85 92.21 50.27 -67.69 -36.67 2.37 0.00 97.62 0.06 0.07 2.25 97.43 0.18 0.00 0.00 0.00 95 S H H 81.35 1.38 14.10 15.00 95.42 44.22 -79.52 -28.05 8.53 0.01 91.47 0.16 0.67 7.69 91.27 0.20 0.01 0.00 0.00 96 H C C 80.85 6.18 10.49 18.71 110.74 25.87 -132.00 67.84 99.83 0.08 0.10 85.01 14.58 0.23 0.05 0.03 0.00 0.02 0.08 97 P H G 74.04 7.97 8.94 18.69 93.08 163.34 -61.86 -30.32 20.65 0.09 79.26 2.42 1.29 13.65 1.33 81.24 0.00 0.05 0.01 98 E H G 160.20 0.72 14.32 13.84 91.57 62.69 -70.12 -20.13 20.05 0.04 79.91 0.49 0.98 16.24 1.17 81.09 0.00 0.02 0.01 99 D H G 91.86 3.90 12.94 18.15 95.44 52.93 -90.19 -7.12 19.54 0.11 80.35 1.52 2.16 13.02 1.34 81.87 0.00 0.07 0.02 100 F C S 52.97 15.34 7.01 21.52 117.33 82.55 -100.60 129.38 98.35 0.37 1.28 24.14 73.70 0.72 0.54 0.40 0.00 0.08 0.41 101 P C C 76.75 4.15 12.91 18.60 115.09 -119.21 -69.62 150.57 97.69 0.30 2.01 92.27 4.06 1.63 0.69 0.99 0.00 0.11 0.24 102 E C C 148.21 2.04 12.38 15.87 112.00 -105.30 -73.47 138.38 96.44 0.50 3.06 88.46 5.89 2.29 1.18 1.56 0.00 0.18 0.45 103 K C C 129.75 5.91 8.23 15.88 114.46 -117.70 -85.62 139.34 96.59 0.52 2.88 80.31 12.16 4.17 0.98 1.71 0.00 0.21 0.46 104 D C C 107.98 2.56 10.77 14.70 113.08 -137.10 -93.44 127.23 97.92 0.50 1.58 74.16 19.17 4.60 0.48 1.03 0.00 0.21 0.35 105 K C C 156.38 2.32 10.08 14.22 109.47 -128.87 -83.47 121.99 97.85 1.13 1.03 83.23 12.58 2.11 0.39 0.53 0.00 0.53 0.63 106 K C C 102.72 6.22 9.26 17.31 120.87 -165.18 -98.08 143.77 96.76 2.46 0.78 92.65 3.82 0.60 0.41 0.26 0.00 1.21 1.06 107 T C C 72.57 2.99 14.42 18.06 120.67 -127.15 -84.37 159.76 80.34 18.46 1.20 75.45 3.17 0.41 1.05 0.22 0.00 4.27 15.42 108 Y H H 119.27 8.72 10.50 20.42 92.11 -108.95 -59.15 -37.72 10.18 0.32 89.50 2.17 1.56 5.90 66.67 23.34 0.07 0.21 0.09 109 G H H 38.72 4.18 12.56 18.28 91.28 57.69 -63.56 -32.24 5.21 0.07 94.72 0.68 0.46 3.48 68.21 27.10 0.01 0.05 0.01 110 E H H 108.23 3.40 13.75 18.19 92.55 56.16 -69.85 -28.88 3.95 0.07 95.98 0.56 0.41 2.54 69.03 27.38 0.01 0.05 0.01 111 V H H 66.81 8.55 11.53 21.08 96.69 47.53 -80.29 -30.97 12.71 0.24 87.04 1.98 1.89 8.35 71.62 15.82 0.11 0.13 0.11 112 F C H 110.03 6.81 11.06 19.01 102.28 45.93 -99.16 2.96 50.28 3.64 46.09 15.10 11.14 25.92 35.80 7.89 0.34 1.40 2.40 113 E C C 110.65 4.38 10.57 16.88 116.36 115.21 -80.35 143.49 83.23 3.07 13.70 52.23 22.07 8.91 9.66 4.16 0.01 1.46 1.51 114 E C C 147.22 1.90 12.98 15.70 110.93 -102.28 -72.69 133.69 85.53 3.62 10.85 57.70 15.87 12.29 5.36 5.15 0.00 2.36 1.27 115 F C C 113.07 9.27 7.31 17.10 114.63 -130.67 -88.89 132.62 87.45 6.91 5.63 67.20 11.96 8.30 2.20 3.30 0.00 5.00 2.03 116 H C C 135.64 2.22 11.70 15.21 117.46 -167.50 -115.38 124.61 85.23 14.18 0.59 67.32 16.85 1.29 0.27 0.37 0.00 11.07 2.83 117 P C C 94.00 4.83 8.27 15.03 113.65 -114.35 -67.72 141.00 82.10 16.83 1.07 69.06 8.72 3.82 0.39 0.71 0.00 13.32 3.97 118 V C C 108.89 3.09 7.55 12.54 112.94 -150.46 -98.53 122.73 91.41 7.96 0.62 88.99 1.19 2.09 0.27 0.21 0.00 4.58 2.67 119 R C C 178.64 1.94 9.91 13.29 110.70 -124.30 -90.52 119.54 99.92 0.07 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01