# 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 G C C 36.07 6.03 13.94 21.10 106.55 -110.15 52.88 2.86 99.88 0.04 0.09 99.74 0.09 0.09 0.06 0.00 0.00 0.01 0.01 1 Y H H 154.57 2.49 11.43 14.94 94.88 62.84 -67.98 -35.98 23.62 0.30 76.08 16.35 1.35 6.17 74.39 1.49 0.00 0.12 0.13 2 S H H 77.56 1.48 11.46 13.25 93.59 54.56 -66.49 -38.38 9.91 0.11 89.98 2.94 1.27 5.56 88.27 1.86 0.01 0.06 0.04 3 M H H 116.28 2.02 11.65 14.44 92.98 51.10 -66.89 -39.35 3.21 0.05 96.74 1.01 0.40 1.71 95.07 1.78 0.00 0.03 0.01 4 F H H 125.37 2.31 12.13 15.34 92.66 50.31 -65.86 -40.20 1.47 0.03 98.51 0.48 0.17 0.75 97.60 0.98 0.00 0.01 0.00 5 A H H 66.17 1.64 13.71 15.23 92.33 50.36 -64.83 -40.88 1.01 0.01 98.98 0.21 0.09 0.59 98.73 0.38 0.00 0.00 0.00 6 V H H 91.26 1.53 14.54 15.53 92.60 48.78 -65.50 -41.00 0.76 0.00 99.23 0.13 0.06 0.46 99.17 0.18 0.00 0.00 0.00 7 G H H 34.19 3.24 13.48 17.94 92.65 50.59 -64.30 -41.88 0.59 0.00 99.41 0.09 0.04 0.35 99.40 0.12 0.00 0.00 0.00 8 I H H 96.97 2.01 15.14 17.04 92.24 49.22 -64.85 -41.61 0.39 0.00 99.61 0.05 0.02 0.25 99.59 0.10 0.00 0.00 0.00 9 G H H 38.53 1.82 15.25 16.80 91.99 50.48 -63.92 -41.96 0.47 0.00 99.53 0.06 0.02 0.29 99.52 0.10 0.00 0.00 0.00 10 T H H 75.94 2.04 14.70 16.81 92.09 49.45 -65.32 -41.29 0.51 0.00 99.49 0.06 0.03 0.34 99.44 0.13 0.00 0.00 0.00 11 L H H 93.13 2.57 14.23 17.44 92.04 50.18 -64.83 -40.89 0.59 0.00 99.41 0.05 0.03 0.43 99.29 0.20 0.00 0.00 0.00 12 L H H 98.54 1.59 15.24 16.23 92.26 50.51 -64.49 -41.68 0.84 0.00 99.16 0.06 0.04 0.64 99.01 0.25 0.00 0.00 0.00 13 F H H 126.47 1.36 15.38 15.77 92.42 49.15 -65.14 -40.90 1.01 0.00 98.99 0.07 0.05 0.78 98.82 0.27 0.00 0.00 0.00 14 G H H 33.98 2.97 13.60 17.71 92.22 50.49 -64.41 -41.59 1.67 0.00 98.33 0.16 0.10 1.25 98.19 0.31 0.00 0.00 0.00 15 Y H H 132.49 1.90 14.70 16.52 92.08 50.36 -64.76 -41.38 1.19 0.00 98.81 0.11 0.07 0.91 98.61 0.30 0.00 0.00 0.00 16 W H H 148.39 1.59 15.02 16.08 92.12 49.60 -64.80 -41.17 0.80 0.00 99.20 0.08 0.05 0.57 99.04 0.26 0.00 0.00 0.00 17 S H H 59.42 2.40 14.68 17.37 92.23 49.95 -65.13 -40.97 1.08 0.00 98.92 0.10 0.06 0.81 98.77 0.26 0.00 0.00 0.00 18 M H H 101.50 2.07 14.75 16.93 92.15 49.70 -64.59 -41.44 1.05 0.00 98.95 0.08 0.06 0.80 98.79 0.27 0.00 0.00 0.00 19 M H H 100.73 2.00 14.98 16.94 91.98 49.50 -64.83 -41.21 1.37 0.00 98.62 0.12 0.08 1.03 98.46 0.31 0.00 0.00 0.00 20 K H H 112.26 2.04 15.45 17.36 91.97 50.30 -65.05 -41.02 1.56 0.00 98.44 0.14 0.09 1.16 98.26 0.34 0.00 0.00 0.00 21 W H H 133.15 2.18 15.57 17.70 91.99 50.04 -64.76 -40.90 1.74 0.00 98.25 0.21 0.14 1.22 98.10 0.34 0.00 0.00 0.00 22 N H H 76.82 2.60 15.04 18.24 91.96 50.34 -64.44 -41.02 1.36 0.00 98.63 0.29 0.12 0.81 98.57 0.22 0.00 0.00 0.00 23 R H H 124.71 2.13 15.58 17.69 91.89 50.25 -64.45 -41.33 0.60 0.00 99.40 0.10 0.05 0.35 99.38 0.12 0.00 0.00 0.00 24 E H H 101.83 2.12 15.84 17.76 91.83 49.55 -64.55 -41.59 0.55 0.00 99.45 0.09 0.04 0.33 99.42 0.11 0.00 0.00 0.00 25 R H H 128.21 1.95 15.64 17.40 92.03 49.68 -64.87 -40.98 0.75 0.00 99.25 0.13 0.05 0.45 99.23 0.14 0.00 0.00 0.00 26 R H H 123.98 2.20 15.35 17.66 91.95 49.92 -64.83 -40.85 0.75 0.00 99.25 0.14 0.05 0.45 99.22 0.14 0.00 0.00 0.00 27 R H H 131.84 1.95 15.69 17.49 91.82 49.84 -64.33 -40.90 0.45 0.00 99.55 0.07 0.03 0.27 99.51 0.12 0.00 0.00 0.00 28 L H H 88.89 2.15 15.27 17.42 91.69 50.13 -64.45 -41.07 0.54 0.00 99.46 0.07 0.03 0.34 99.42 0.14 0.00 0.00 0.00 29 Q H H 100.62 2.09 15.81 17.76 91.97 50.21 -64.97 -41.00 0.91 0.00 99.09 0.11 0.04 0.58 99.12 0.15 0.00 0.00 0.00 30 I H H 90.18 2.24 15.40 17.74 91.96 48.85 -65.00 -41.47 0.62 0.00 99.38 0.10 0.04 0.34 99.39 0.11 0.00 0.00 0.00 31 E H H 99.85 2.17 15.31 17.54 91.75 50.18 -64.20 -41.19 0.59 0.00 99.41 0.11 0.04 0.33 99.38 0.15 0.00 0.00 0.00 32 D H H 84.48 2.19 15.58 17.83 91.97 49.52 -64.59 -40.57 1.17 0.00 98.83 0.16 0.06 0.77 98.78 0.22 0.00 0.00 0.00 33 F H H 112.33 2.31 15.45 17.79 92.09 49.38 -64.66 -41.38 1.67 0.00 98.33 0.28 0.13 1.11 98.14 0.34 0.00 0.00 0.00 34 E H H 105.19 2.04 15.65 17.51 91.91 50.22 -64.75 -40.70 1.75 0.00 98.25 0.30 0.13 1.14 98.02 0.41 0.00 0.00 0.00 35 A H H 54.09 2.77 14.17 17.83 91.86 50.95 -64.87 -40.38 2.54 0.00 97.45 0.36 0.18 1.76 96.83 0.87 0.00 0.00 0.00 36 R H H 135.92 2.41 14.69 17.53 92.50 50.79 -65.42 -39.71 2.32 0.00 97.68 0.30 0.16 1.64 95.92 1.98 0.00 0.00 0.00 37 I H H 103.35 2.24 14.67 16.96 92.36 49.97 -66.69 -38.31 3.19 0.00 96.81 0.25 0.18 2.53 93.63 3.41 0.00 0.00 0.00 38 A H H 65.97 2.21 14.04 16.55 92.52 51.80 -68.52 -32.10 19.70 0.01 80.29 0.53 0.62 18.61 76.18 4.04 0.01 0.00 0.01 39 L H H 92.27 3.05 13.49 17.49 94.15 52.71 -73.64 -29.06 30.72 0.02 69.26 1.02 1.17 28.00 65.13 4.64 0.01 0.00 0.02 40 M H H 95.50 3.21 13.81 18.11 92.72 64.74 -62.63 -42.55 3.30 0.00 96.70 1.10 0.54 1.34 96.31 0.72 0.00 0.00 0.00 41 P H H 75.84 2.40 14.83 17.61 91.79 49.94 -64.98 -39.65 1.48 0.00 98.51 0.43 0.11 0.76 97.85 0.85 0.00 0.00 0.00 42 L H H 98.15 2.14 15.14 17.37 91.83 50.17 -65.48 -40.24 0.49 0.00 99.51 0.10 0.03 0.28 98.83 0.76 0.00 0.00 0.00 43 F H H 113.79 2.47 15.48 18.18 92.20 49.60 -65.33 -40.68 0.38 0.00 99.62 0.08 0.03 0.21 99.43 0.26 0.00 0.00 0.00 44 Q H H 95.82 2.59 16.06 18.88 92.12 50.31 -65.35 -40.63 0.50 0.00 99.49 0.10 0.04 0.29 99.44 0.13 0.00 0.00 0.00 45 A H H 50.88 2.99 15.17 19.02 91.68 50.34 -64.02 -40.94 0.63 0.00 99.37 0.11 0.04 0.37 99.36 0.12 0.00 0.00 0.00 46 E H H 92.39 2.72 16.04 19.16 91.84 50.46 -64.56 -40.75 0.68 0.00 99.32 0.12 0.05 0.40 99.33 0.10 0.00 0.00 0.00 47 K H H 113.59 2.29 16.65 18.80 92.11 50.48 -64.58 -41.17 0.70 0.00 99.30 0.13 0.05 0.40 99.33 0.09 0.00 0.00 0.00 48 D H H 76.74 2.82 15.90 19.17 91.78 50.06 -64.95 -40.84 1.11 0.00 98.88 0.29 0.07 0.61 98.93 0.10 0.00 0.00 0.00 49 R H H 128.61 2.48 16.14 18.86 91.90 50.34 -64.85 -40.65 0.48 0.00 99.52 0.08 0.03 0.28 99.55 0.06 0.00 0.00 0.00 50 R H H 131.12 2.16 16.47 18.43 92.01 50.10 -64.74 -40.95 0.37 0.00 99.63 0.06 0.02 0.22 99.66 0.04 0.00 0.00 0.00 51 V H H 75.60 2.79 16.01 19.18 92.00 49.69 -64.28 -42.05 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 52 L H H 83.67 2.98 15.84 19.43 91.89 49.89 -64.36 -41.47 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 53 Q H H 97.86 2.14 16.73 18.54 91.71 50.13 -64.20 -41.09 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 54 M H H 95.56 2.47 16.62 19.13 91.89 49.97 -64.03 -40.95 0.31 0.00 99.69 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 55 L H H 76.48 5.06 15.46 21.71 92.13 50.78 -64.45 -40.75 0.40 0.00 99.60 0.07 0.02 0.23 99.63 0.05 0.00 0.00 0.00 56 R H H 129.59 2.83 17.11 20.31 92.11 50.48 -64.25 -41.46 0.27 0.00 99.73 0.04 0.01 0.17 99.74 0.04 0.00 0.00 0.00 57 E H H 102.22 1.98 18.22 19.29 91.68 49.73 -64.20 -41.53 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 58 N H H 69.22 4.89 16.87 22.90 92.01 49.86 -64.54 -40.56 0.36 0.00 99.64 0.05 0.02 0.21 99.69 0.04 0.00 0.00 0.00 59 L H H 63.17 8.48 15.66 25.38 92.08 50.92 -63.91 -41.11 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.02 0.00 0.00 0.00 60 E H H 108.31 2.55 19.08 21.22 91.87 50.58 -63.98 -41.37 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 61 E H H 101.80 2.51 19.31 21.24 91.76 49.09 -64.71 -41.48 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 62 E H H 58.01 9.59 16.12 26.98 91.94 49.52 -64.98 -40.54 0.30 0.00 99.70 0.02 0.01 0.20 99.70 0.07 0.00 0.00 0.00 63 A H H 33.39 8.95 14.60 25.34 91.65 52.68 -63.41 -40.15 0.48 0.00 99.52 0.03 0.02 0.36 99.23 0.35 0.00 0.00 0.00 64 I H H 106.64 1.76 18.90 19.39 92.21 50.39 -65.26 -40.44 1.57 0.00 98.43 0.04 0.05 1.50 97.18 1.22 0.00 0.00 0.00 65 I H H 91.03 4.03 16.58 21.26 92.22 48.35 -69.38 -33.29 5.02 0.00 94.98 0.08 0.16 5.14 93.68 0.94 0.00 0.00 0.00 66 M H H 44.25 13.60 10.59 24.89 96.79 44.91 -98.96 2.73 40.85 0.13 59.02 1.88 2.07 35.74 57.59 2.51 0.04 0.04 0.13 67 K C T 127.52 5.42 12.00 19.71 91.64 107.62 -60.49 -30.08 96.24 0.21 3.55 3.86 2.35 90.58 2.11 0.86 0.00 0.09 0.16 68 D C T 128.79 0.62 15.33 14.02 93.64 50.69 -88.18 -0.16 99.11 0.06 0.84 2.55 4.62 92.11 0.15 0.53 0.00 0.03 0.02 69 V C C 46.55 11.82 6.89 19.29 113.81 102.07 -91.20 121.70 99.51 0.37 0.12 57.27 41.82 0.30 0.05 0.04 0.00 0.07 0.45 70 P C T 109.07 1.35 14.16 15.37 107.93 -122.67 -64.20 140.18 97.98 0.09 1.94 0.85 4.17 92.40 0.04 2.46 0.00 0.04 0.04 71 D C T 119.46 1.80 14.84 17.06 93.97 13.90 68.81 15.44 98.30 0.06 1.63 1.33 3.43 93.14 0.04 2.00 0.00 0.03 0.02 72 W C C 67.18 15.90 8.14 23.30 115.37 135.02 -85.48 129.10 96.35 1.98 1.68 86.55 7.70 1.44 0.19 1.91 0.00 0.72 1.49 73 K C C 126.89 2.19 20.20 22.37 127.19 -174.19 -126.51 147.70 96.98 2.78 0.24 93.83 2.51 0.44 0.07 0.12 0.00 0.72 2.31 74 V C T 80.69 10.84 12.10 23.62 111.02 -100.89 -61.87 135.33 98.46 1.02 0.51 3.12 4.78 90.72 0.06 0.38 0.00 0.52 0.43 75 G C T 47.78 3.82 16.74 21.49 95.72 23.55 86.84 -5.59 99.53 0.23 0.24 2.78 4.99 91.80 0.02 0.22 0.00 0.14 0.06 76 E C C 84.49 6.44 14.47 22.64 117.91 127.44 -76.09 145.88 98.66 1.10 0.24 77.45 20.50 0.61 0.07 0.15 0.00 0.36 0.85 77 S C C 52.63 7.29 14.36 23.04 113.73 -111.25 -76.32 141.88 74.64 24.24 1.12 68.65 2.20 0.56 0.53 0.40 0.00 5.78 21.87 78 V C T 57.64 12.25 11.71 24.55 97.27 -150.02 -78.28 -24.25 83.63 4.86 11.51 20.47 20.53 42.01 0.93 11.25 0.03 2.81 1.96 79 F C T 107.93 7.47 12.41 20.85 104.86 49.31 -93.51 6.82 82.63 6.91 10.46 13.25 22.17 46.90 0.91 9.95 0.04 4.20 2.58 80 H C C 149.31 1.93 13.26 15.68 101.14 29.17 -92.53 24.32 81.96 8.53 9.51 38.11 23.98 19.79 1.39 8.23 0.06 3.94 4.50 81 T C C 56.28 6.18 8.46 16.60 130.44 98.14 -123.67 165.94 94.89 3.86 1.26 59.97 27.81 6.92 0.40 0.84 0.00 1.71 2.36 82 T C S 123.35 0.83 12.01 12.53 95.81 -124.23 -82.76 -4.13 99.10 0.50 0.39 15.23 75.06 8.93 0.07 0.26 0.00 0.28 0.17 83 R C S 152.20 1.90 12.26 15.28 122.82 83.13 -106.97 147.81 96.15 3.54 0.31 19.33 73.28 3.90 0.06 0.21 0.00 2.18 1.04 84 W C C 141.97 8.35 9.69 19.44 113.62 -111.10 -77.82 132.66 82.18 17.59 0.23 70.96 9.96 1.05 0.08 0.19 0.00 11.42 6.35 85 V C C 65.29 7.01 13.60 22.59 123.94 -170.28 -121.51 137.59 71.76 28.15 0.09 69.38 3.67 0.15 0.05 0.05 0.00 15.92 10.77 86 T C C 86.78 5.11 16.96 23.45 114.57 -111.84 -74.18 139.95 93.65 6.31 0.03 92.34 1.83 0.08 0.01 0.01 0.00 5.04 0.68 87 P C C 31.97 17.86 10.02 27.33 114.61 -108.92 -66.64 147.75 90.25 9.34 0.40 88.87 1.91 0.32 0.22 0.13 0.00 4.37 4.18 88 M C C 100.01 3.44 18.72 22.11 116.38 -121.09 -81.57 150.60 91.71 7.10 1.18 87.61 3.05 0.56 0.86 0.25 0.00 1.89 5.78 89 M H H 104.69 9.03 12.06 22.13 92.87 -113.88 -59.47 -37.08 29.14 0.51 70.34 5.88 5.48 18.34 58.04 11.45 0.24 0.25 0.32 90 G H H 47.14 2.52 15.44 18.41 92.60 56.91 -63.21 -33.33 22.20 0.18 77.63 2.91 2.88 15.68 64.59 13.61 0.13 0.09 0.11 91 E H H 94.03 5.63 15.34 22.13 93.36 52.06 -69.19 -33.85 14.14 0.20 85.66 2.64 1.90 8.81 67.99 18.37 0.09 0.12 0.08 92 L H H 36.96 15.42 12.05 27.50 94.93 47.89 -75.70 -32.34 15.50 0.27 84.23 2.97 2.14 9.76 67.77 16.96 0.12 0.16 0.12 93 Y H H 103.85 9.41 13.50 23.80 94.49 57.33 -72.01 -23.81 27.52 0.97 71.51 5.12 4.34 17.67 52.79 18.51 0.51 0.50 0.56 94 G C T 51.64 2.74 15.39 18.81 94.50 63.55 -70.37 -18.92 56.12 0.53 43.35 6.24 6.32 42.13 31.80 12.75 0.08 0.25 0.41 95 L C T 102.72 5.31 13.96 20.38 97.93 53.49 -89.09 -9.81 69.36 0.75 29.89 12.53 12.45 44.23 19.21 10.62 0.04 0.33 0.59 96 R C S 79.50 11.20 9.85 21.89 125.07 63.55 -115.66 150.06 98.70 0.84 0.46 25.97 72.22 0.61 0.28 0.10 0.00 0.24 0.57 97 T C C 74.04 2.78 15.81 18.86 115.91 -103.66 -68.25 154.31 98.86 0.68 0.46 97.50 1.27 0.26 0.32 0.06 0.00 0.21 0.38 98 N H H 101.85 6.48 11.25 19.43 93.29 -110.27 -59.68 -35.71 7.07 0.04 92.89 1.77 1.20 4.06 86.24 6.68 0.01 0.02 0.02 99 E H H 131.79 2.16 14.46 17.24 92.96 57.49 -65.82 -33.79 3.93 0.03 96.04 0.57 0.42 2.72 88.69 7.57 0.01 0.02 0.01 100 E H H 97.32 4.31 14.37 19.95 93.18 50.75 -68.96 -36.23 2.75 0.05 97.21 0.63 0.34 1.68 89.27 8.03 0.01 0.04 0.01 101 I H H 50.27 11.02 11.82 23.92 94.61 52.03 -69.78 -36.82 5.91 0.23 93.86 2.04 1.00 3.18 88.54 5.00 0.03 0.15 0.07 102 L H H 73.79 7.02 13.68 22.11 99.37 57.71 -75.50 -25.80 23.39 2.47 74.14 8.52 4.22 12.39 68.96 3.41 0.13 1.54 0.82 103 S H H 56.02 5.58 12.68 19.77 101.04 55.98 -78.51 -17.97 41.93 2.92 55.14 18.83 5.86 18.63 49.91 3.90 0.08 1.54 1.25 104 A H H 68.66 4.75 12.46 18.66 95.57 63.86 -68.99 -28.30 45.78 0.80 53.42 7.01 7.43 30.27 39.76 14.37 0.26 0.42 0.47 105 T C T 91.10 3.33 13.90 18.05 99.20 45.88 -83.58 -27.86 50.47 0.84 48.68 5.29 7.58 36.18 35.61 14.13 0.25 0.46 0.51 106 Y C T 116.41 6.50 11.98 19.83 102.80 32.67 -102.17 0.36 59.39 1.81 38.79 8.95 13.97 36.37 25.83 12.52 0.30 0.84 1.23 107 G C C 37.48 6.01 13.23 20.67 105.05 -112.87 75.31 -12.41 79.04 2.98 17.98 31.59 20.16 28.25 6.51 10.61 0.01 1.50 1.37 108 F C C 106.43 7.54 11.75 20.47 103.73 51.45 -82.83 30.19 72.07 5.56 22.37 36.54 16.50 19.95 6.79 14.98 0.02 3.25 1.97 109 I C C 97.39 5.77 12.06 19.26 103.23 117.77 -81.92 -1.33 68.44 8.62 22.94 41.21 12.65 15.19 7.08 15.60 0.02 5.48 2.76 110 W C C 157.22 4.89 11.77 18.08 101.45 76.79 -84.47 -6.05 72.37 7.87 19.76 41.60 13.51 18.11 5.89 13.29 0.02 5.47 2.11 111 Y C C 134.81 5.79 10.15 17.46 107.57 75.50 -94.79 58.63 85.52 4.95 9.53 72.17 2.72 11.86 3.54 4.51 0.00 3.47 1.72 112 T C C 78.78 7.14 11.64 20.05 111.70 94.16 -97.69 112.39 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.00