# 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 91.94 8.82 10.97 20.83 115.05 -158.43 -89.09 137.08 99.96 0.03 0.01 99.87 0.08 0.03 0.01 0.00 0.00 0.01 0.01 1 N C C 97.85 3.24 13.31 17.59 107.85 -136.69 -91.49 101.97 96.45 0.83 2.73 95.95 0.44 1.14 0.97 0.73 0.00 0.26 0.52 2 L H G 71.69 12.27 7.89 20.14 95.28 -170.83 -75.20 -12.83 34.08 0.66 65.26 15.55 4.44 12.35 3.49 63.63 0.00 0.41 0.14 3 E H G 145.31 1.87 11.98 15.10 93.58 71.59 -67.73 -21.94 33.34 0.36 66.30 5.37 4.73 21.27 2.62 65.72 0.00 0.20 0.10 4 R H G 178.82 1.02 12.39 13.11 95.82 57.82 -85.26 -6.77 32.37 0.47 67.16 7.20 6.09 17.80 2.68 65.83 0.00 0.25 0.13 5 V C S 45.73 11.50 6.70 18.63 120.79 92.26 -91.86 144.76 98.68 0.26 1.06 20.84 77.38 0.55 0.74 0.17 0.00 0.05 0.27 6 S C C 62.75 1.77 15.85 16.89 117.48 -109.21 -69.49 158.36 99.18 0.08 0.73 98.20 0.80 0.32 0.56 0.06 0.00 0.02 0.06 7 N H H 98.43 6.80 11.41 19.74 92.61 -106.23 -58.83 -38.33 4.34 0.01 95.65 1.22 0.88 2.08 94.36 1.46 0.00 0.00 0.00 8 E H H 127.63 1.99 15.12 17.45 91.80 52.42 -64.40 -40.01 2.34 0.00 97.66 0.37 0.26 1.52 96.10 1.75 0.00 0.00 0.00 9 E H H 99.98 2.91 16.40 19.67 91.91 48.73 -65.53 -40.37 1.28 0.01 98.71 0.32 0.13 0.71 96.91 1.92 0.00 0.00 0.00 10 K H H 60.87 11.81 14.67 27.35 91.88 50.74 -63.73 -42.19 0.65 0.00 99.35 0.18 0.07 0.32 98.91 0.52 0.00 0.00 0.00 11 L H H 45.92 10.88 16.40 28.47 91.88 50.05 -63.60 -41.78 0.44 0.00 99.56 0.10 0.04 0.23 99.46 0.18 0.00 0.00 0.00 12 N H H 86.05 2.52 21.76 23.34 91.67 50.20 -63.92 -41.50 0.43 0.00 99.57 0.08 0.03 0.25 99.47 0.17 0.00 0.00 0.00 13 L H H 62.32 6.23 20.13 27.25 91.89 49.62 -64.12 -42.20 0.42 0.00 99.58 0.06 0.03 0.26 99.46 0.19 0.00 0.00 0.00 14 C H H 17.15 16.52 16.14 33.44 91.82 50.96 -63.21 -41.78 0.42 0.00 99.58 0.08 0.02 0.25 99.47 0.17 0.00 0.00 0.00 15 R H H 109.21 7.66 20.24 28.37 91.83 51.34 -63.42 -41.16 0.46 0.00 99.54 0.05 0.03 0.32 99.29 0.31 0.00 0.00 0.00 16 K H H 120.75 2.28 22.21 23.48 91.75 49.71 -64.81 -41.44 0.70 0.00 99.30 0.06 0.04 0.54 98.91 0.43 0.00 0.00 0.00 17 Y H H 73.78 10.95 18.54 30.01 92.26 48.68 -65.18 -41.85 1.32 0.00 98.68 0.12 0.09 1.03 98.13 0.61 0.00 0.00 0.00 18 Y H H 61.50 15.06 17.32 32.16 92.16 50.39 -64.14 -41.85 3.57 0.01 96.42 0.37 0.28 2.85 95.65 0.82 0.02 0.01 0.01 19 L H H 89.38 4.11 21.45 25.50 92.17 48.91 -64.58 -41.18 4.92 0.02 95.06 0.46 0.42 4.02 93.67 1.38 0.03 0.01 0.01 20 G H H 31.42 4.51 19.91 24.92 92.17 49.81 -64.61 -40.97 7.62 0.03 92.35 0.67 0.69 6.25 89.47 2.85 0.04 0.01 0.02 21 G H H 13.42 14.46 15.59 30.68 92.96 51.02 -65.32 -40.40 8.65 0.04 91.31 0.91 0.71 6.74 84.66 6.92 0.02 0.02 0.02 22 F H H 89.82 10.41 17.65 28.22 93.14 51.02 -67.43 -36.37 6.93 0.02 93.05 0.37 0.41 5.81 77.72 15.66 0.02 0.01 0.01 23 A H H 70.92 3.49 19.40 22.74 93.08 51.47 -70.34 -28.27 19.56 0.03 80.41 0.32 0.73 19.00 64.90 14.97 0.04 0.01 0.02 24 F H H 103.80 7.50 17.15 25.25 99.24 37.08 -104.23 4.32 38.69 0.06 61.26 1.11 1.49 37.08 47.97 12.23 0.03 0.02 0.05 25 L H H 47.26 15.33 14.33 29.69 99.95 111.35 -62.02 -42.32 17.76 0.03 82.21 8.78 3.42 5.04 80.56 2.17 0.00 0.01 0.02 26 P H H 64.90 7.94 18.55 26.79 92.30 52.33 -63.47 -35.70 5.52 0.00 94.47 0.52 0.36 4.35 92.70 2.05 0.00 0.00 0.00 27 F H H 106.02 4.56 20.70 25.17 92.27 51.19 -65.73 -40.37 0.56 0.00 99.44 0.05 0.03 0.40 98.21 1.31 0.00 0.00 0.00 28 L H H 29.78 14.98 17.15 32.73 91.81 52.04 -64.49 -42.35 0.07 0.00 99.93 0.00 0.00 0.04 99.82 0.14 0.00 0.00 0.00 29 W H H 64.69 15.22 18.62 33.78 91.74 51.08 -63.38 -42.00 0.04 0.00 99.96 0.00 0.00 0.03 99.92 0.05 0.00 0.00 0.00 30 L H H 79.87 5.32 22.43 27.31 91.52 49.76 -64.09 -42.36 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 31 V H H 55.31 6.92 21.40 28.98 91.67 49.26 -64.15 -42.44 0.06 0.00 99.94 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 32 N H H 16.31 18.23 17.45 36.03 91.94 50.66 -63.92 -42.10 0.19 0.00 99.81 0.01 0.00 0.15 99.75 0.09 0.00 0.00 0.00 33 I H H 49.78 12.35 19.07 31.77 91.78 50.32 -64.07 -41.69 0.26 0.00 99.74 0.01 0.01 0.22 99.48 0.29 0.00 0.00 0.00 34 F H H 105.58 4.08 21.47 25.06 91.92 49.82 -65.51 -40.71 0.55 0.00 99.45 0.01 0.02 0.51 98.40 1.06 0.00 0.00 0.00 35 W H H 82.94 10.28 18.20 29.30 92.82 48.13 -70.11 -37.40 5.95 0.00 94.05 0.07 0.12 6.42 91.64 1.74 0.00 0.00 0.00 36 F H H 36.49 16.92 15.04 31.97 97.53 43.63 -88.33 -21.90 22.34 0.02 77.63 0.50 0.90 21.51 75.02 2.02 0.02 0.01 0.02 37 F H H 86.01 9.50 16.42 26.57 95.20 64.76 -66.00 -39.65 27.78 0.46 71.77 7.41 8.99 13.07 66.23 3.75 0.10 0.14 0.32 38 R H H 135.93 2.54 18.95 21.10 93.43 50.23 -65.96 -39.96 16.11 0.10 83.78 1.87 1.97 11.77 74.09 10.09 0.09 0.05 0.07 39 E H H 77.12 7.19 16.39 24.80 94.50 44.04 -71.41 -37.51 12.66 0.08 87.26 1.40 1.31 9.23 75.02 12.92 0.05 0.04 0.04 40 A H H 20.26 15.26 11.49 27.14 92.70 52.93 -67.11 -34.88 14.97 0.11 84.92 1.84 1.71 10.52 72.14 13.62 0.06 0.06 0.06 41 F H H 123.45 4.94 15.14 21.22 94.07 50.58 -74.97 -24.39 39.73 0.36 59.91 4.32 5.59 29.45 51.39 8.66 0.16 0.15 0.27 42 L C T 118.80 1.93 14.89 16.86 98.67 47.89 -91.58 -8.28 63.82 0.70 35.48 16.87 15.93 32.41 28.13 5.79 0.05 0.25 0.56 43 V C C 61.66 10.27 8.71 19.93 115.93 93.13 -90.04 134.00 96.55 0.42 3.03 53.14 40.94 2.55 1.99 0.87 0.00 0.11 0.39 44 P C C 90.01 3.03 13.56 17.64 111.77 -108.51 -67.11 147.83 93.07 0.31 6.61 77.60 7.79 7.68 2.30 4.25 0.00 0.15 0.23 45 A C C 75.06 4.87 11.77 18.27 108.42 -104.20 -73.50 131.80 89.72 0.52 9.76 67.51 11.82 9.82 3.36 6.84 0.00 0.22 0.44 46 Y C C 113.76 8.30 9.34 18.75 113.96 -157.73 -98.99 127.37 84.39 0.57 15.04 67.03 10.67 6.72 7.01 7.86 0.00 0.22 0.49 47 T C C 103.93 2.04 14.00 16.55 101.26 -134.68 -82.92 -14.46 76.69 0.38 22.93 30.57 18.72 27.47 11.46 11.33 0.00 0.15 0.32 48 E C C 100.07 6.63 11.87 19.82 100.17 62.17 -83.83 -2.42 74.25 0.36 25.39 35.55 11.95 27.21 14.69 10.15 0.00 0.14 0.31 49 Q H H 78.62 10.00 11.16 22.00 96.93 95.48 -67.96 -32.68 46.18 0.18 53.64 37.62 4.72 3.66 50.97 2.88 0.00 0.06 0.09 50 S H H 76.85 2.06 16.11 18.15 93.79 60.17 -65.04 -37.34 11.52 0.05 88.44 5.75 1.60 4.09 86.55 1.98 0.00 0.02 0.02 51 Q H H 103.83 3.20 17.45 20.95 92.64 51.45 -66.84 -39.82 6.31 0.04 93.65 2.30 0.89 3.13 91.84 1.81 0.00 0.02 0.02 52 I H H 28.60 15.83 13.46 29.69 92.75 49.52 -65.63 -41.75 2.19 0.01 97.80 0.76 0.30 1.03 97.17 0.74 0.00 0.01 0.00 53 K H H 88.46 8.36 17.88 27.09 91.62 52.47 -62.51 -41.85 0.82 0.00 99.18 0.27 0.08 0.38 99.05 0.23 0.00 0.00 0.00 54 G H H 35.66 2.53 21.15 22.77 91.55 50.41 -63.61 -41.48 0.70 0.00 99.30 0.17 0.05 0.38 99.21 0.18 0.00 0.00 0.00 55 Y H H 70.92 9.89 18.43 29.23 92.06 49.93 -64.97 -41.44 0.42 0.00 99.58 0.11 0.03 0.23 99.52 0.11 0.00 0.00 0.00 56 V H H 28.62 16.06 16.42 32.66 92.16 50.10 -64.07 -42.38 0.23 0.00 99.77 0.05 0.02 0.12 99.76 0.05 0.00 0.00 0.00 57 W H H 144.65 3.26 22.22 25.20 91.69 49.67 -63.73 -42.07 0.21 0.00 99.79 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 58 R H H 124.75 3.23 22.38 25.17 91.77 49.22 -64.47 -41.13 0.27 0.00 99.73 0.04 0.02 0.17 99.73 0.04 0.00 0.00 0.00 59 S H H 18.00 15.15 16.52 32.54 91.92 50.92 -64.49 -41.36 0.35 0.00 99.65 0.04 0.02 0.23 99.67 0.05 0.00 0.00 0.00 60 A H H 40.35 9.54 19.82 30.05 91.67 50.93 -63.51 -41.34 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 61 V H H 83.15 2.19 23.61 24.08 91.68 49.43 -64.10 -42.25 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 62 G H H 20.85 8.13 18.73 28.33 91.67 50.74 -63.51 -42.20 0.18 0.00 99.82 0.01 0.00 0.11 99.83 0.03 0.00 0.00 0.00 63 F H H 48.21 14.43 16.54 31.31 91.65 50.50 -64.16 -41.38 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 64 L H H 88.46 3.99 20.66 24.82 91.75 50.76 -64.01 -41.50 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 65 F H H 117.13 2.29 21.26 22.30 91.89 48.82 -64.68 -42.31 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 66 W H H 71.76 11.56 17.04 29.28 92.13 49.26 -65.34 -41.53 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 67 V H H 47.87 11.34 16.87 28.90 92.11 49.79 -64.69 -41.64 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 68 I H H 97.88 2.10 20.98 21.78 91.86 50.27 -64.25 -42.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 69 V H H 69.16 4.86 19.26 24.69 91.83 48.94 -64.71 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 70 L H H 42.21 13.68 16.37 30.45 92.06 49.15 -65.22 -41.44 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 71 T H H 61.68 6.05 18.92 25.71 91.89 50.74 -64.04 -41.82 0.23 0.00 99.77 0.01 0.01 0.16 99.79 0.02 0.00 0.00 0.00 72 S H H 58.77 2.43 20.53 22.02 91.77 50.39 -64.23 -41.74 0.36 0.00 99.64 0.02 0.01 0.26 99.64 0.06 0.00 0.00 0.00 73 W H H 85.82 9.97 17.81 28.56 92.22 49.66 -65.25 -41.29 0.35 0.00 99.65 0.02 0.01 0.27 99.62 0.08 0.00 0.00 0.00 74 I H H 50.25 11.98 16.80 29.50 92.30 50.48 -64.10 -41.93 0.64 0.00 99.36 0.03 0.02 0.54 99.29 0.11 0.00 0.00 0.00 75 T H H 68.92 2.94 20.03 22.41 91.62 50.28 -63.77 -42.09 1.41 0.00 98.58 0.07 0.08 1.19 98.42 0.22 0.00 0.00 0.00 76 I H H 72.67 4.38 18.74 23.92 91.71 49.45 -64.41 -42.42 1.10 0.00 98.90 0.07 0.08 0.88 98.45 0.52 0.00 0.00 0.00 77 F H H 41.64 14.49 13.68 28.79 91.99 50.62 -64.84 -40.97 0.82 0.00 99.18 0.05 0.04 0.65 98.54 0.72 0.00 0.00 0.00 78 Q H H 88.66 6.77 15.94 23.71 92.37 50.58 -66.20 -37.76 2.41 0.00 97.59 0.08 0.10 2.22 96.68 0.92 0.00 0.00 0.00 79 I H H 114.06 1.64 17.50 18.07 95.74 44.11 -76.99 -33.39 9.32 0.00 90.67 0.20 0.39 8.97 89.45 0.97 0.01 0.00 0.00 80 Y H H 104.39 6.39 13.65 21.63 100.23 35.14 -104.03 -1.93 35.48 0.08 64.44 3.01 3.68 28.11 63.37 1.70 0.03 0.02 0.08 81 R H G 74.55 14.01 9.65 23.68 92.61 106.24 -59.04 -40.62 23.99 0.17 75.84 10.89 2.69 9.56 28.74 47.96 0.00 0.10 0.07 82 P H G 98.95 2.36 14.63 17.66 91.43 55.32 -66.62 -26.65 14.82 0.09 85.09 2.66 1.54 9.24 29.14 57.34 0.00 0.05 0.03 83 R H G 166.55 1.55 15.30 16.58 94.78 53.35 -78.68 -22.41 13.51 0.14 86.35 2.22 1.59 8.53 31.29 56.24 0.00 0.08 0.05 84 W H H 102.97 10.19 10.20 21.09 99.18 48.96 -93.96 -5.19 32.79 0.65 66.56 12.03 6.79 13.69 33.88 32.90 0.03 0.29 0.38 85 G H H 34.04 4.28 15.63 21.27 119.34 -142.54 73.97 -151.72 33.29 0.40 66.31 13.20 6.08 13.68 46.46 20.14 0.03 0.17 0.24 86 A H H 77.86 3.08 15.18 18.91 93.30 -20.63 -67.58 -29.97 20.40 0.14 79.45 2.15 2.28 14.10 60.11 21.13 0.08 0.07 0.08 87 L H H 86.14 5.21 16.10 22.17 92.60 54.40 -67.10 -36.49 13.68 0.10 86.22 1.88 1.36 9.05 66.12 21.47 0.03 0.05 0.04 88 G H H 14.77 12.49 12.31 26.19 92.02 57.42 -63.09 -40.23 8.58 0.12 91.30 2.45 1.13 4.28 72.26 19.76 0.01 0.07 0.04 89 D H H 72.82 6.10 16.62 23.74 92.31 52.89 -66.15 -35.19 11.72 0.15 88.13 2.46 1.29 6.77 67.17 22.15 0.02 0.09 0.05 90 Y H H 129.58 3.93 17.78 22.16 92.71 52.74 -68.52 -34.36 13.04 0.24 86.72 2.99 1.62 7.44 67.13 20.55 0.03 0.15 0.08 91 L H H 67.63 9.81 13.74 24.52 94.13 58.89 -70.08 -28.59 23.18 1.26 75.56 9.37 4.11 10.18 61.57 13.46 0.08 0.77 0.44 92 S H H 56.36 9.07 13.45 23.38 94.43 61.93 -73.30 -19.22 43.88 2.90 53.22 16.51 6.72 21.15 41.12 11.43 0.15 1.83 1.08 93 F C H 134.11 4.11 14.43 19.48 98.77 57.78 -88.79 -12.97 56.34 5.24 38.41 18.29 13.30 26.13 28.02 9.00 0.30 3.11 1.86 94 T C C 83.16 4.86 13.06 19.42 113.87 59.16 -102.11 113.19 67.41 9.15 23.45 33.73 19.16 15.61 17.69 5.30 0.13 5.34 3.05 95 I C C 100.62 6.66 11.10 19.50 114.24 -150.71 -97.54 121.78 92.19 7.16 0.65 58.74 32.84 1.23 0.32 0.32 0.00 5.25 1.30 96 P C C 80.31 6.47 10.87 19.06 113.44 -120.09 -69.78 145.48 93.83 5.14 1.03 87.28 4.87 1.84 0.37 0.57 0.00 4.09 0.98 97 L C C 127.88 2.75 11.11 15.60 109.31 -138.50 -91.50 104.96 89.89 8.72 1.39 69.33 13.07 7.22 0.42 0.99 0.00 5.16 3.80 98 G C C 46.51 3.89 9.60 15.16 124.86 -87.15 106.23 171.60 90.08 9.34 0.57 59.45 25.36 5.98 0.11 0.54 0.00 5.99 2.56 99 T C C 108.44 1.76 10.78 13.88 118.58 -70.79 -108.27 131.80 91.98 7.98 0.03 89.72 2.89 0.15 0.01 0.02 0.00 5.11 2.10 100 P C C 94.48 5.04 10.96 17.92 111.72 -103.90 -66.46 143.84 99.94 0.06 0.00 99.87 0.08 0.02 0.00 0.00 0.00 0.03 0.01