# 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 102.72 8.03 14.47 23.49 120.67 -165.96 -101.79 137.07 98.72 1.23 0.05 98.57 0.37 0.10 0.02 0.01 0.00 0.74 0.18 1 S C C 71.53 5.59 12.63 19.81 116.97 -150.04 -92.76 146.68 86.20 8.47 5.33 73.75 3.17 9.23 1.84 2.99 0.00 6.19 2.83 2 G C C 44.64 6.54 11.83 19.60 113.29 -110.16 -71.30 80.13 85.18 7.49 7.33 46.06 19.73 19.80 1.82 5.52 0.00 4.41 2.66 3 R C C 154.28 4.39 13.20 18.93 106.89 -34.30 -89.23 75.39 80.22 9.34 10.44 38.24 20.05 22.91 2.60 7.46 0.03 4.87 3.86 4 G C C 39.51 7.54 11.57 20.28 118.18 -1.98 81.14 166.31 82.25 6.35 11.40 36.11 23.14 23.81 2.74 8.25 0.02 3.09 2.84 5 K C C 149.77 3.01 13.96 18.18 105.57 -57.38 -84.54 69.60 81.36 5.73 12.91 30.57 21.81 29.91 2.90 9.30 0.02 2.78 2.71 6 G C T 50.93 4.40 13.31 19.13 106.30 7.28 78.86 3.86 85.05 3.70 11.25 26.50 23.73 35.31 2.26 8.61 0.01 1.84 1.74 7 G C C 40.18 7.82 11.47 20.33 116.22 -60.82 58.22 165.05 84.02 4.89 11.09 39.52 23.74 20.99 2.42 8.57 0.01 2.29 2.47 8 K C C 145.63 3.20 14.26 18.78 109.02 -84.02 -90.80 102.16 80.49 7.62 11.89 37.87 21.13 22.37 3.22 8.16 0.03 3.72 3.51 9 G C C 44.49 6.22 12.93 20.28 112.34 -52.71 73.00 -7.75 83.79 6.24 9.96 39.00 21.49 23.99 2.57 7.08 0.01 3.17 2.69 10 L C C 98.94 7.70 12.57 21.18 108.27 -54.67 -89.53 86.17 81.89 7.87 10.24 37.30 20.92 24.59 3.35 6.37 0.03 4.05 3.40 11 G C C 40.86 6.55 12.70 20.46 115.11 -12.46 73.42 162.60 84.90 6.27 8.83 38.56 23.67 23.46 3.06 5.35 0.02 3.14 2.75 12 K C C 149.42 2.91 13.40 17.66 109.09 -73.73 -83.95 112.96 79.30 5.44 15.27 34.62 21.29 24.45 6.98 7.39 0.03 2.63 2.61 13 G C T 50.94 3.74 12.99 17.99 106.77 2.81 65.86 -9.46 78.41 2.60 18.99 26.11 20.92 32.31 9.78 8.21 0.03 1.23 1.41 14 G C C 41.81 6.08 12.55 19.91 109.47 -59.46 48.50 -76.24 67.81 2.22 29.97 30.51 18.78 19.63 18.41 10.36 0.04 0.95 1.30 15 A C H 57.62 7.88 11.29 20.33 110.57 21.70 -81.09 134.72 52.96 3.35 43.69 30.48 12.38 11.46 32.58 9.93 0.07 1.75 1.35 16 K H H 131.26 3.91 13.61 18.89 107.72 -117.82 -82.28 109.16 44.10 4.15 51.75 28.73 8.60 8.65 41.43 8.71 0.05 2.52 1.31 17 R H H 141.04 5.08 13.19 19.61 106.90 -112.71 -80.46 89.57 38.20 3.62 58.18 26.21 6.79 7.23 49.41 7.00 0.03 2.32 1.01 18 H H H 99.86 8.85 12.35 22.03 108.50 56.26 -84.15 82.64 36.72 2.43 60.85 26.88 5.28 6.28 54.06 5.31 0.01 1.50 0.68 19 R H H 127.18 7.72 13.74 22.43 107.12 57.15 -84.05 51.39 25.20 1.79 73.01 17.97 4.04 5.06 66.54 4.77 0.01 1.19 0.42 20 K H H 121.20 4.89 15.34 21.35 107.71 52.61 -84.26 78.99 19.60 2.51 77.89 13.26 3.23 4.86 70.98 5.21 0.03 1.96 0.47 21 V H H 66.22 8.85 13.96 23.97 111.02 -142.19 -90.95 122.58 17.57 3.03 79.40 11.64 2.92 4.66 72.36 5.37 0.04 2.52 0.50 22 L H H 62.86 12.08 13.05 25.56 104.89 46.91 -82.22 30.09 19.68 2.69 77.63 12.67 3.28 5.47 70.19 5.70 0.03 2.11 0.53 23 R H H 126.01 7.91 15.07 23.73 102.88 54.13 -79.17 -12.92 23.87 1.83 74.30 12.06 4.29 9.17 66.01 6.63 0.06 1.26 0.51 24 D H H 91.60 5.51 15.84 22.36 101.89 54.69 -82.82 -9.08 34.49 1.02 64.49 10.49 6.22 18.82 55.33 7.99 0.14 0.59 0.43 25 N C H 85.14 7.81 16.23 24.63 103.17 38.53 -93.06 40.47 50.56 1.30 48.15 16.66 8.07 26.68 38.24 8.94 0.08 0.68 0.64 26 I C C 41.59 18.43 11.18 28.36 102.85 134.45 -90.92 22.00 62.56 5.07 32.38 36.17 9.07 17.73 21.52 10.28 0.06 2.71 2.45 27 Q C T 123.43 4.17 17.13 22.89 107.55 128.11 -73.80 115.67 81.28 3.17 15.55 13.91 8.51 58.36 10.28 5.59 0.05 1.91 1.38 28 G C T 49.09 4.96 18.91 24.29 99.04 22.79 83.05 -1.72 90.35 1.80 7.84 12.43 12.28 66.05 3.04 4.38 0.01 1.25 0.56 29 I C C 24.12 21.26 10.27 30.62 115.99 116.28 -90.29 130.25 92.34 6.50 1.16 76.45 14.83 0.84 0.79 0.40 0.00 2.52 4.17 30 T C C 66.37 4.48 22.01 26.20 122.31 -138.27 -85.61 159.52 94.80 4.19 1.01 93.13 1.65 0.28 0.88 0.12 0.00 1.28 2.66 31 K H H 102.30 12.20 14.82 27.11 92.45 -107.09 -58.85 -39.55 2.60 0.02 97.38 0.73 0.48 1.20 97.25 0.34 0.00 0.00 0.00 32 P H H 76.22 2.78 20.53 22.80 91.48 52.93 -63.24 -39.11 1.35 0.01 98.65 0.26 0.12 0.83 98.36 0.43 0.00 0.00 0.00 33 A H H 25.71 9.72 18.00 29.35 91.82 51.00 -64.94 -40.89 0.52 0.01 99.47 0.12 0.05 0.28 99.16 0.39 0.00 0.00 0.00 34 I H H 11.58 21.26 15.05 36.31 91.93 50.03 -64.54 -42.30 0.37 0.01 99.63 0.09 0.04 0.18 99.53 0.15 0.00 0.00 0.00 35 R H H 107.25 8.46 20.41 29.26 91.47 50.99 -63.10 -41.30 0.68 0.01 99.31 0.17 0.07 0.35 99.29 0.10 0.00 0.01 0.00 36 R H H 122.75 2.80 22.26 24.25 91.75 49.93 -64.44 -41.90 1.08 0.03 98.89 0.23 0.13 0.64 98.82 0.16 0.00 0.01 0.01 37 L H H 32.10 12.63 17.27 31.08 92.14 49.80 -64.80 -41.73 1.72 0.07 98.21 0.41 0.23 1.03 97.86 0.41 0.01 0.04 0.01 38 A H H 19.97 15.49 13.77 29.75 92.06 51.66 -64.37 -39.24 4.31 0.08 95.61 0.82 0.38 2.97 94.69 1.07 0.01 0.05 0.02 39 R H H 162.76 2.20 17.65 20.32 92.36 51.41 -66.71 -35.78 12.76 0.13 87.11 1.24 1.01 10.42 85.70 1.46 0.05 0.06 0.06 40 R H H 155.34 2.57 15.54 18.63 95.24 52.12 -76.13 -19.94 38.92 0.29 60.80 2.31 3.82 32.52 58.78 2.17 0.11 0.12 0.18 41 G C T 40.36 7.87 13.18 21.88 100.37 40.45 -88.34 -3.06 75.37 0.24 24.39 3.74 9.09 61.03 23.66 2.17 0.02 0.09 0.20 42 G C T 50.74 3.52 16.43 20.43 100.14 -112.05 81.41 9.85 97.05 0.67 2.28 35.51 17.23 44.63 0.85 1.17 0.00 0.36 0.24 43 V C C 42.18 15.87 8.63 23.87 113.83 143.64 -87.60 127.07 88.27 8.49 3.24 80.90 5.13 2.18 1.36 1.74 0.00 6.13 2.56 44 K C C 158.99 1.62 17.71 19.26 99.95 -170.55 -89.16 -24.63 85.25 10.93 3.82 52.40 27.00 6.30 1.28 2.54 0.01 9.09 1.37 45 R C C 145.81 3.58 18.03 22.62 125.13 22.41 -131.06 138.53 62.82 32.50 4.68 45.62 12.13 5.69 1.86 3.00 0.02 28.82 2.84 46 I C C 44.86 19.11 9.84 27.49 119.24 -167.16 -114.77 126.50 55.35 41.47 3.19 49.75 3.50 1.03 2.43 1.15 0.00 33.50 8.62 47 S C C 59.04 4.05 17.67 22.27 126.29 -168.36 -106.22 165.08 79.19 16.73 4.08 73.43 3.79 1.59 3.29 0.95 0.00 15.28 1.67 48 G H H 47.49 3.64 16.64 20.86 102.61 -20.41 -16.07 -57.33 30.97 0.90 68.13 6.32 9.30 17.08 61.20 5.06 0.20 0.47 0.36 49 L H H 96.93 3.51 16.70 20.62 93.34 37.26 -67.43 -35.06 16.51 0.44 83.05 3.80 2.79 10.63 76.78 5.49 0.10 0.26 0.16 50 I H H 40.88 12.42 14.94 28.36 92.20 52.64 -64.62 -41.36 9.30 0.48 90.23 3.80 1.58 4.73 84.25 5.12 0.04 0.34 0.12 51 Y H H 63.95 13.84 15.43 29.56 91.95 51.95 -63.59 -41.87 4.07 0.19 95.74 2.04 0.63 1.74 93.48 1.93 0.01 0.14 0.04 52 E H H 116.22 2.87 20.43 23.23 91.81 49.86 -64.96 -40.81 3.16 0.11 96.73 1.14 0.41 1.67 95.20 1.49 0.01 0.08 0.02 53 E H H 98.92 4.88 20.44 25.50 92.49 47.69 -66.59 -40.73 5.06 0.08 94.86 0.97 0.52 3.44 93.45 1.53 0.02 0.04 0.03 54 T H H 19.68 17.36 16.73 34.08 93.30 47.27 -68.78 -40.41 7.65 0.06 92.29 1.27 0.78 5.39 91.46 1.03 0.02 0.03 0.03 55 R H H 87.78 12.96 19.28 31.89 91.82 53.22 -62.54 -41.34 2.71 0.02 97.27 0.66 0.28 1.58 97.12 0.35 0.00 0.00 0.00 56 G H H 33.18 3.51 22.13 25.42 91.56 51.23 -63.78 -41.68 2.44 0.01 97.55 0.36 0.18 1.72 97.29 0.44 0.00 0.00 0.00 57 V H H 51.69 8.68 21.11 30.36 91.82 49.90 -64.94 -42.30 0.74 0.00 99.26 0.14 0.05 0.45 99.12 0.25 0.00 0.00 0.00 58 L H H 23.15 17.99 17.80 35.88 91.92 50.72 -64.33 -41.79 0.21 0.00 99.79 0.04 0.01 0.10 99.77 0.08 0.00 0.00 0.00 59 K H H 95.84 8.47 21.07 29.91 91.62 51.88 -63.38 -41.21 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 60 I H H 82.40 3.91 22.55 26.00 91.62 50.01 -64.24 -42.63 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 61 F H H 58.43 12.23 20.40 32.71 91.90 49.03 -64.52 -42.62 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 62 L H H 28.99 17.07 18.44 35.45 91.87 50.25 -64.76 -41.66 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 63 E H H 91.63 6.11 21.88 28.41 91.71 51.45 -64.24 -41.38 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 64 N H H 70.35 5.50 22.57 28.04 92.20 49.13 -66.05 -40.39 0.41 0.00 99.59 0.02 0.01 0.30 99.63 0.03 0.00 0.00 0.00 65 V H H 24.25 15.92 19.48 35.66 92.09 49.37 -64.77 -43.09 0.53 0.00 99.47 0.07 0.03 0.34 99.53 0.04 0.00 0.00 0.00 66 I H H 42.82 14.44 20.13 34.40 91.71 49.60 -63.83 -42.58 0.41 0.00 99.58 0.09 0.03 0.22 99.56 0.10 0.00 0.00 0.00 67 R H H 130.70 3.14 24.20 26.93 91.50 49.96 -63.73 -42.06 0.44 0.00 99.55 0.07 0.03 0.28 99.51 0.11 0.00 0.00 0.00 68 D H H 56.64 7.71 22.60 30.61 91.89 48.44 -65.45 -40.84 0.90 0.00 99.09 0.13 0.06 0.60 99.05 0.15 0.00 0.00 0.00 69 A H H 12.01 18.02 17.60 36.13 91.87 51.08 -63.73 -41.93 1.57 0.01 98.42 0.26 0.13 1.02 98.31 0.27 0.00 0.01 0.00 70 V H H 55.18 8.74 21.06 30.44 91.70 50.15 -64.07 -41.76 2.73 0.07 97.20 0.59 0.33 1.67 96.93 0.43 0.01 0.04 0.02 71 T H H 69.49 2.79 23.07 24.72 91.61 49.38 -64.28 -42.39 4.68 0.17 95.15 1.23 0.60 2.79 94.53 0.68 0.02 0.10 0.04 72 Y H H 61.48 10.67 18.46 30.03 92.36 48.18 -66.03 -41.06 5.82 0.28 93.90 1.55 0.88 3.58 92.30 1.40 0.04 0.17 0.07 73 T H H 21.98 14.31 13.90 29.18 92.09 50.61 -66.11 -39.28 8.46 0.25 91.28 2.68 1.15 4.72 89.23 1.97 0.03 0.15 0.07 74 E H H 123.01 2.62 18.00 20.81 92.48 52.24 -65.50 -38.82 14.54 0.14 85.32 2.16 1.47 10.63 83.56 2.00 0.04 0.08 0.05 75 H H H 129.95 2.39 16.09 18.47 93.95 47.32 -75.68 -26.20 25.19 0.22 74.60 3.13 3.18 18.89 72.72 1.81 0.06 0.08 0.12 76 A C T 40.32 11.25 9.72 21.48 99.82 62.98 -83.53 -3.52 66.85 0.70 32.45 14.74 15.55 35.06 31.80 2.15 0.03 0.24 0.43 77 R C T 197.56 0.79 15.85 15.40 96.04 -129.80 49.47 23.20 91.82 0.46 7.72 24.69 13.99 53.31 5.70 1.85 0.00 0.20 0.25 78 R C C 106.09 7.41 10.67 19.78 123.99 111.43 -110.11 145.75 92.25 1.44 6.31 62.08 18.37 11.84 3.42 2.79 0.00 0.69 0.81 79 K C S 157.19 2.51 14.88 18.60 97.09 -151.64 -84.13 -16.95 95.84 1.87 2.29 27.93 60.38 7.79 1.08 1.10 0.00 1.33 0.40 80 T C C 81.10 3.97 18.78 23.74 129.93 35.85 -134.97 145.45 63.70 33.30 2.99 38.39 21.91 5.24 1.54 1.71 0.02 27.58 3.62 81 V C C 22.88 20.31 11.46 31.27 119.89 -158.14 -114.31 131.25 58.81 40.09 1.10 53.86 4.60 0.29 1.05 0.28 0.00 32.54 7.39 82 T C C 57.85 5.21 23.50 28.52 124.08 -146.44 -91.03 162.36 75.88 23.33 0.79 76.58 1.01 0.16 0.73 0.11 0.00 19.32 2.08 83 A H H 40.35 15.30 14.89 30.25 91.11 -105.94 -58.40 -38.88 2.70 0.02 97.28 0.52 0.37 1.62 96.99 0.49 0.00 0.01 0.00 84 M H H 104.81 4.11 21.94 26.06 91.47 55.12 -63.73 -40.10 0.88 0.00 99.11 0.12 0.07 0.59 98.87 0.34 0.00 0.00 0.00 85 D H H 40.92 11.31 20.14 32.13 91.88 50.59 -65.30 -40.37 0.26 0.00 99.74 0.06 0.02 0.15 99.49 0.28 0.00 0.00 0.00 86 V H H 9.26 21.90 17.49 39.30 91.74 49.74 -64.46 -43.34 0.12 0.00 99.88 0.02 0.01 0.07 99.83 0.08 0.00 0.00 0.00 87 V H H 46.60 10.11 21.35 32.16 91.52 49.84 -63.27 -42.95 0.15 0.00 99.85 0.02 0.01 0.09 99.83 0.05 0.00 0.00 0.00 88 Y H H 102.22 3.69 23.53 26.83 91.47 49.18 -63.90 -42.37 0.25 0.00 99.75 0.03 0.01 0.16 99.71 0.08 0.00 0.00 0.00 89 A H H 11.48 13.41 17.39 32.61 91.41 50.56 -63.15 -42.64 0.63 0.00 99.36 0.09 0.04 0.41 99.29 0.17 0.00 0.00 0.00 90 L H H 27.00 15.46 15.58 31.66 92.06 49.93 -64.51 -41.38 1.74 0.02 98.24 0.33 0.15 1.10 97.94 0.46 0.00 0.01 0.00 91 K H H 129.83 3.39 17.43 21.76 91.81 50.43 -64.90 -39.44 4.27 0.03 95.71 0.69 0.33 2.94 95.04 0.98 0.00 0.01 0.01 92 R H H 151.64 2.76 15.93 19.47 92.46 50.25 -68.39 -32.62 12.11 0.06 87.83 1.08 0.89 9.80 87.08 1.08 0.02 0.02 0.03 93 Q H H 90.88 7.70 12.94 21.80 96.25 46.77 -88.75 -5.36 48.14 0.25 51.62 3.14 4.34 39.07 51.77 1.41 0.04 0.08 0.15 94 G C T 55.25 2.71 14.83 18.51 98.76 -113.47 78.31 11.96 94.81 0.62 4.57 24.43 10.05 60.84 3.05 1.10 0.00 0.32 0.21 95 R C C 115.36 7.82 12.17 21.49 119.21 135.44 -98.34 139.80 91.49 4.35 4.15 79.07 9.25 3.07 2.56 1.58 0.00 2.43 2.04 96 T C C 78.40 6.23 14.37 22.04 118.80 -142.29 -97.68 138.31 88.81 7.24 3.94 81.69 4.37 2.66 2.06 1.64 0.00 4.34 3.25 97 L C C 84.52 10.86 11.95 23.19 102.97 -144.32 -83.69 -10.59 82.22 8.51 9.27 38.82 22.54 22.08 2.90 5.81 0.03 4.58 3.23 98 Y C T 143.13 5.54 13.14 19.85 111.16 45.33 -95.88 111.93 82.63 8.28 9.09 22.49 24.72 36.51 2.61 5.84 0.05 4.89 2.90 99 G C C 51.63 3.89 12.45 17.69 108.97 9.73 89.16 6.25 86.88 6.45 6.67 36.76 24.12 26.81 1.35 5.12 0.01 3.66 2.17 100 F C C 137.17 5.35 9.60 16.41 106.98 90.10 -92.77 60.17 89.07 6.74 4.19 57.19 15.45 16.47 1.20 2.87 0.00 3.75 3.07 101 G C C 55.05 2.88 11.69 16.02 108.27 -37.41 86.57 6.89 95.95 2.68 1.36 79.67 4.77 11.69 0.35 0.82 0.00 1.79 0.91 102 G C C 48.86 4.53 12.97 19.08 113.02 -84.72 88.17 133.20 99.83 0.14 0.03 99.27 0.44 0.17 0.01 0.01 0.00 0.08 0.03