# 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 106.81 5.54 11.86 18.81 111.05 -154.66 -88.86 118.83 99.81 0.10 0.09 99.75 0.08 0.07 0.04 0.01 0.00 0.04 0.02 1 M C C 120.02 3.91 9.98 15.45 101.58 93.27 -79.30 -13.50 69.63 0.98 29.39 66.42 1.30 5.75 12.04 13.51 0.00 0.52 0.46 2 L H G 113.52 2.75 10.15 14.23 98.70 68.85 -72.09 -27.90 27.67 0.66 71.67 12.87 4.24 10.18 13.24 58.90 0.00 0.42 0.15 3 E H G 122.11 3.53 11.16 16.06 97.01 60.26 -74.60 -19.93 26.12 0.36 73.52 6.61 3.81 14.54 14.12 60.59 0.00 0.22 0.11 4 F H G 104.90 6.83 10.51 18.77 98.52 52.86 -91.65 -0.80 25.43 0.26 74.31 6.55 3.31 14.16 22.38 53.36 0.00 0.14 0.10 5 A H H 55.86 3.77 13.40 18.63 93.26 94.02 -62.56 -41.99 4.67 0.01 95.32 1.94 0.77 1.70 94.78 0.80 0.00 0.00 0.00 6 P H H 67.48 4.18 14.86 20.22 92.47 51.02 -64.86 -38.61 2.19 0.01 97.80 0.60 0.16 1.14 97.58 0.51 0.00 0.00 0.00 7 I H H 65.70 8.56 13.94 23.76 92.33 51.34 -65.75 -40.29 0.46 0.00 99.54 0.11 0.03 0.23 99.33 0.29 0.00 0.00 0.00 8 F H H 107.09 4.29 16.46 21.59 92.02 50.85 -64.72 -40.59 0.16 0.00 99.84 0.04 0.01 0.07 99.79 0.09 0.00 0.00 0.00 9 I H H 93.45 2.50 18.00 20.04 91.70 49.78 -64.73 -42.13 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 10 Y H H 91.41 7.87 16.30 25.28 91.85 49.63 -65.23 -41.35 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 11 L H H 65.24 9.60 16.11 26.57 91.93 50.45 -64.71 -41.03 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 12 V H H 83.22 2.74 19.63 21.71 91.65 49.48 -64.52 -42.02 0.19 0.00 99.81 0.01 0.00 0.13 99.82 0.03 0.00 0.00 0.00 13 I H H 83.81 3.51 19.70 23.12 91.76 48.61 -64.87 -41.93 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 14 S H H 24.41 12.48 15.47 29.20 91.84 50.93 -64.00 -41.44 0.45 0.00 99.55 0.04 0.02 0.30 99.51 0.14 0.00 0.00 0.00 15 L H H 75.34 7.57 18.30 26.56 91.95 50.50 -64.43 -41.02 0.65 0.00 99.35 0.03 0.02 0.51 99.19 0.24 0.00 0.00 0.00 16 L H H 96.14 2.04 20.94 21.52 91.98 49.58 -64.79 -41.74 0.77 0.00 99.23 0.05 0.03 0.59 98.92 0.41 0.00 0.00 0.00 17 V H H 64.09 5.90 19.17 25.86 91.93 49.08 -65.25 -41.78 1.65 0.00 98.34 0.11 0.08 1.31 97.71 0.79 0.00 0.00 0.00 18 S H H 24.58 13.10 15.13 29.28 91.83 50.89 -63.89 -41.29 4.61 0.01 95.38 0.29 0.19 3.86 94.33 1.31 0.01 0.00 0.00 19 L H H 86.92 4.74 18.69 24.00 91.82 51.35 -64.58 -40.42 2.94 0.01 97.05 0.25 0.17 2.30 95.37 1.91 0.00 0.00 0.00 20 I H H 98.41 2.57 19.55 21.55 92.12 50.35 -65.10 -41.28 1.60 0.01 98.40 0.19 0.12 1.15 94.48 4.06 0.00 0.00 0.00 21 L H H 66.11 9.26 16.91 27.10 92.11 49.04 -66.23 -38.95 2.61 0.01 97.38 0.18 0.11 2.27 92.24 5.19 0.00 0.01 0.00 22 L H H 67.78 10.47 16.20 27.16 92.48 48.86 -68.26 -34.53 9.93 0.01 90.06 0.25 0.33 9.84 84.99 4.56 0.01 0.01 0.01 23 G H H 36.97 3.98 17.84 22.41 92.54 54.00 -68.65 -31.68 19.78 0.03 80.19 0.85 1.13 17.78 77.07 3.10 0.03 0.01 0.03 24 V H H 72.72 4.26 17.96 22.80 92.46 56.52 -64.43 -41.75 13.66 0.05 86.29 2.08 1.72 9.32 76.02 10.77 0.04 0.02 0.04 25 P H H 39.77 10.79 14.70 26.82 91.92 52.37 -64.58 -38.77 7.13 0.03 92.84 1.01 0.52 4.78 79.08 14.57 0.01 0.02 0.01 26 F H H 98.33 7.78 15.78 24.63 92.04 52.67 -65.51 -38.47 3.36 0.02 96.62 0.36 0.27 2.29 81.33 15.74 0.00 0.01 0.00 27 L H H 106.51 2.47 17.43 19.84 92.55 51.53 -67.21 -36.10 6.57 0.05 93.38 0.67 0.61 4.87 81.97 11.82 0.02 0.03 0.02 28 F H H 120.21 4.49 15.73 21.12 96.56 46.53 -83.90 -18.37 19.29 0.24 80.47 2.69 3.09 13.93 71.94 7.93 0.16 0.11 0.15 29 A H H 37.57 13.36 10.17 23.64 105.98 83.85 -78.18 106.11 47.42 1.49 51.09 19.47 12.89 18.25 42.75 5.05 0.11 0.56 0.93 30 S C C 71.33 4.78 14.53 20.51 106.99 72.43 -84.25 99.93 67.95 1.65 30.40 31.90 12.16 24.86 22.90 6.45 0.02 0.72 1.00 31 N C C 105.51 4.90 12.91 19.28 108.39 -115.74 -92.38 98.32 79.02 1.58 19.40 36.93 19.39 23.50 12.16 6.32 0.01 0.63 1.08 32 S C C 70.90 5.42 12.03 18.97 110.36 135.02 -92.69 111.30 87.83 1.28 10.90 47.67 22.62 17.63 5.17 5.43 0.00 0.50 0.96 33 S C C 70.58 5.61 11.42 18.62 104.32 -158.11 -85.80 25.85 93.23 0.69 6.08 44.10 23.33 25.89 1.72 4.18 0.00 0.29 0.47 34 T C C 89.91 4.70 12.61 18.78 104.59 78.38 -91.89 16.61 93.68 0.74 5.59 40.14 31.21 22.57 1.65 3.60 0.00 0.30 0.54 35 Y C C 100.23 7.09 12.59 21.32 110.83 75.45 -100.65 109.10 97.40 0.53 2.07 65.91 30.03 1.43 1.41 0.55 0.00 0.13 0.54 36 P H G 68.81 9.16 13.51 23.86 94.57 -151.14 -61.23 -33.32 29.77 0.27 69.96 8.89 3.68 15.88 27.98 43.29 0.00 0.15 0.13 37 E H G 108.87 6.73 16.12 23.95 92.76 58.53 -67.26 -31.59 21.17 0.20 78.63 3.26 2.34 13.89 31.21 49.10 0.01 0.12 0.08 38 K H G 96.75 9.04 17.20 26.83 93.25 56.04 -71.80 -25.94 19.18 0.38 80.45 4.43 2.90 10.76 33.17 48.38 0.01 0.22 0.13 39 L H H 49.37 13.16 15.98 29.58 97.99 51.83 -86.55 -12.32 39.26 1.44 59.30 15.40 9.54 14.51 30.53 28.51 0.05 0.62 0.84 40 S C C 33.18 10.41 17.35 29.07 98.98 83.41 -68.13 -35.85 66.33 3.23 30.44 43.04 15.12 8.69 21.41 8.14 0.04 1.19 2.37 41 A C C 33.06 11.44 16.19 28.57 94.73 62.16 -66.58 -32.03 57.40 2.93 39.67 23.15 15.13 20.29 23.11 15.05 0.18 1.39 1.70 42 Y C H 96.52 11.00 16.40 27.60 95.10 52.80 -72.15 -36.91 48.76 7.09 44.15 16.65 12.81 20.78 21.56 20.14 0.74 3.45 3.86 43 E C T 99.77 8.54 16.73 25.76 93.99 53.26 -71.79 -25.89 50.57 3.82 45.61 8.37 10.38 31.24 20.16 24.80 0.85 2.06 2.13 44 C C T 62.26 8.44 14.77 24.31 96.31 42.47 -93.96 1.47 68.85 1.08 30.07 5.11 10.52 52.37 12.81 17.65 0.10 0.56 0.89 45 G C T 49.35 4.03 17.08 22.04 95.36 -102.49 84.55 7.55 95.24 1.56 3.20 25.30 25.96 44.08 0.67 2.48 0.00 0.80 0.71 46 F C C 78.61 10.47 12.34 24.18 117.86 134.67 -90.68 139.68 91.81 7.63 0.56 76.42 13.51 1.26 0.22 0.35 0.00 2.96 5.29 47 D C C 88.67 5.07 17.70 23.89 108.97 -127.03 -87.75 112.60 95.99 3.63 0.39 88.79 6.37 0.82 0.14 0.22 0.00 1.90 1.76 48 P C C 56.23 14.24 11.55 25.87 97.89 -160.09 -70.57 -12.97 93.58 2.05 4.38 45.98 17.32 30.43 0.90 3.43 0.00 1.13 0.81 49 F C C 127.69 5.57 14.26 21.09 105.91 73.16 -90.23 38.56 91.13 2.85 6.02 36.80 21.92 32.82 1.53 4.09 0.00 1.27 1.56 50 G C S 45.64 4.04 14.89 19.95 116.15 50.27 89.16 -164.67 85.35 1.79 12.86 31.99 34.71 19.45 4.64 7.21 0.01 0.76 1.24 51 D C C 94.70 4.87 14.19 20.20 107.72 -34.07 -89.98 101.09 74.38 1.54 24.08 40.71 16.33 17.52 10.60 13.09 0.01 0.65 1.10 52 A C C 47.57 11.83 10.49 22.62 99.53 -160.21 -74.67 -11.16 57.15 1.61 41.24 25.30 12.11 20.08 18.36 22.39 0.04 0.73 0.99 53 R C C 148.65 4.52 14.13 19.95 99.78 82.15 -82.00 -5.98 52.98 2.17 44.85 24.42 10.68 18.33 21.45 22.85 0.06 1.03 1.18 54 S C C 56.39 6.98 12.40 20.74 111.24 90.10 -86.11 114.67 54.53 1.87 43.61 29.80 11.72 13.02 20.68 22.86 0.02 0.87 1.02 55 R C C 150.75 4.62 14.18 20.08 99.33 -140.75 -76.63 -16.70 60.02 1.73 38.25 22.02 17.91 21.34 20.28 16.57 0.07 0.79 1.02 56 F C C 96.88 9.74 12.42 22.99 108.93 56.46 -97.66 65.36 63.58 3.94 32.48 28.77 19.13 17.25 18.25 12.47 0.14 1.65 2.33 57 D C C 59.41 8.88 13.44 23.67 109.15 86.90 -84.49 110.61 72.56 3.64 23.80 61.10 6.34 4.31 21.78 2.76 0.00 1.35 2.36 58 I H H 105.51 4.19 14.90 20.37 93.82 -148.34 -65.19 -33.42 15.47 0.13 84.41 3.50 2.21 9.91 80.10 4.11 0.04 0.06 0.07 59 R H H 130.49 4.19 17.16 22.28 92.01 57.41 -65.04 -36.73 10.45 0.05 89.49 1.35 0.92 8.04 85.59 4.01 0.03 0.03 0.03 60 F H H 45.14 14.87 14.58 29.74 92.44 51.49 -66.87 -39.32 3.34 0.01 96.65 0.55 0.32 2.30 94.08 2.73 0.01 0.01 0.01 61 Y H H 87.32 10.61 17.10 28.34 92.06 52.44 -63.71 -41.53 0.56 0.00 99.44 0.13 0.05 0.29 99.20 0.32 0.00 0.00 0.00 62 L H H 84.92 3.78 21.17 24.77 91.77 50.42 -64.19 -41.52 0.28 0.00 99.71 0.05 0.02 0.17 99.61 0.15 0.00 0.00 0.00 63 V H H 42.14 10.55 19.38 30.88 91.94 49.73 -64.78 -42.23 0.13 0.00 99.87 0.03 0.01 0.08 99.82 0.07 0.00 0.00 0.00 64 S H H 16.26 16.47 17.10 34.09 91.49 51.26 -63.38 -41.88 0.14 0.00 99.86 0.02 0.01 0.08 99.83 0.06 0.00 0.00 0.00 65 I H H 77.96 6.09 21.94 28.39 91.59 50.05 -63.80 -41.67 0.14 0.00 99.85 0.02 0.01 0.10 99.82 0.06 0.00 0.00 0.00 66 L H H 69.38 6.38 21.63 28.48 91.60 50.42 -64.19 -41.95 0.19 0.00 99.81 0.01 0.01 0.14 99.74 0.10 0.00 0.00 0.00 67 F H H 38.84 16.85 18.22 34.96 92.01 50.78 -64.22 -41.39 0.57 0.00 99.42 0.03 0.02 0.48 99.23 0.23 0.00 0.00 0.00 68 L H H 54.08 12.67 19.47 32.16 91.83 51.41 -64.13 -41.10 1.03 0.00 98.96 0.07 0.05 0.85 98.56 0.48 0.00 0.00 0.00 69 I H H 87.26 3.98 22.67 26.47 92.12 49.31 -65.52 -41.75 2.46 0.00 97.53 0.19 0.13 1.97 96.97 0.73 0.00 0.00 0.00 70 F H H 54.85 11.93 19.79 32.24 92.26 48.98 -65.68 -40.59 4.93 0.01 95.06 0.65 0.34 3.50 94.66 0.84 0.00 0.00 0.01 71 D H H 27.57 17.58 17.51 34.92 91.89 52.78 -63.61 -41.10 4.39 0.01 95.59 1.14 0.37 2.49 94.76 1.23 0.00 0.01 0.01 72 L H H 76.43 6.16 21.86 28.30 91.82 50.86 -64.25 -40.49 3.71 0.01 96.28 0.41 0.24 2.79 93.96 2.58 0.00 0.01 0.00 73 E H H 77.82 7.14 21.49 29.01 92.18 50.12 -65.67 -39.88 4.62 0.01 95.37 0.41 0.26 3.70 92.32 3.29 0.01 0.01 0.01 74 V H H 22.93 17.97 17.35 35.18 92.40 49.62 -66.75 -40.28 4.22 0.02 95.76 0.37 0.27 3.26 89.05 7.01 0.01 0.01 0.01 75 T H H 46.02 12.83 18.64 31.53 92.10 52.66 -65.57 -37.30 6.57 0.03 93.41 0.34 0.29 5.62 78.74 14.98 0.01 0.02 0.01 76 F H H 118.61 4.50 21.63 26.20 93.19 50.29 -74.43 -31.61 20.03 0.03 79.94 0.33 0.60 19.43 63.71 15.85 0.03 0.02 0.03 77 F H H 66.31 12.46 18.11 30.83 95.01 50.01 -83.33 -24.11 21.13 0.04 78.83 0.59 1.06 19.37 68.67 10.21 0.05 0.02 0.04 78 F H H 48.87 17.44 16.23 33.37 93.06 71.23 -61.26 -43.23 11.15 0.06 88.79 1.49 1.32 7.31 69.43 20.37 0.02 0.03 0.03 79 P H H 58.39 7.48 19.72 27.83 91.66 52.89 -64.59 -37.03 7.98 0.03 91.99 0.82 0.55 5.51 70.78 22.30 0.01 0.02 0.01 80 W H H 110.10 6.21 19.98 26.91 92.30 51.41 -67.05 -37.49 5.50 0.04 94.46 0.66 0.49 3.65 73.22 21.94 0.01 0.03 0.01 81 A H H 17.62 15.48 14.40 30.64 92.21 56.23 -66.15 -35.63 12.38 0.23 87.39 2.51 1.77 7.63 71.57 16.23 0.06 0.14 0.08 82 V H H 63.98 9.76 16.14 26.50 93.96 51.21 -71.25 -32.16 32.27 0.73 67.00 5.27 5.39 21.83 53.84 12.56 0.32 0.37 0.42 83 S C H 66.03 4.21 15.43 20.45 96.45 59.19 -75.81 -22.81 49.89 0.95 49.16 13.30 9.85 28.18 39.18 8.35 0.13 0.42 0.60 84 L C T 91.19 5.91 12.40 19.75 98.15 56.64 -82.53 -1.95 66.02 1.29 32.69 21.86 14.38 30.11 18.08 14.02 0.05 0.55 0.95 85 N C T 119.33 3.59 14.18 19.44 96.90 -125.08 57.10 26.14 76.94 1.14 21.92 19.46 19.81 38.32 8.25 12.84 0.01 0.54 0.75 86 K C C 118.56 4.57 15.32 21.18 113.55 109.29 -109.62 111.35 78.07 3.90 18.03 37.14 17.12 24.97 6.39 10.66 0.02 2.10 1.61 87 I C C 65.42 14.08 10.10 23.99 113.22 90.12 -99.02 119.28 84.11 7.52 8.37 58.00 20.37 5.26 5.77 2.72 0.01 3.24 4.63 88 D C C 70.45 4.34 16.23 21.39 127.38 115.12 -115.17 169.51 89.25 2.00 8.76 78.32 7.08 3.11 8.56 1.06 0.00 0.93 0.93 89 L H H 119.98 3.00 14.06 18.29 92.73 -91.54 -62.30 -35.14 20.89 0.11 79.00 2.39 3.03 15.52 76.52 2.37 0.06 0.04 0.07 90 F H H 132.78 2.27 16.45 18.75 92.46 52.78 -67.33 -35.56 12.88 0.07 87.05 1.07 1.30 10.44 85.19 1.89 0.05 0.03 0.04 91 G H H 11.36 13.59 12.87 27.64 92.79 52.35 -65.34 -39.73 7.03 0.05 92.93 1.71 0.83 4.38 91.11 1.90 0.02 0.02 0.02 92 F H H 76.70 11.14 15.89 27.62 92.13 51.95 -63.63 -41.54 1.86 0.01 98.14 0.41 0.18 1.11 97.69 0.61 0.00 0.00 0.00 93 W H H 149.52 2.11 21.17 22.06 92.15 49.97 -64.98 -40.99 0.60 0.00 99.39 0.10 0.04 0.40 99.15 0.31 0.00 0.00 0.00 94 S H H 38.18 7.36 18.89 27.43 91.75 50.32 -64.55 -41.14 0.52 0.00 99.48 0.08 0.02 0.36 99.33 0.20 0.00 0.00 0.00 95 M H H 27.90 17.44 16.08 33.63 91.54 50.38 -64.11 -41.72 0.26 0.00 99.74 0.02 0.01 0.20 99.68 0.10 0.00 0.00 0.00 96 M H H 79.96 7.74 20.49 28.68 91.78 50.94 -63.78 -41.27 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 97 A H H 54.83 3.05 21.91 24.33 91.42 50.83 -63.67 -42.57 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 98 F H H 59.32 12.16 19.11 31.67 91.98 49.06 -64.96 -41.61 0.05 0.00 99.95 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 99 L H H 38.10 15.74 17.63 33.35 91.62 50.22 -64.01 -41.22 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 100 F H H 111.44 4.21 21.82 25.90 91.59 50.54 -63.94 -41.87 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 101 I H H 80.61 5.27 21.77 27.19 91.84 49.33 -65.07 -42.34 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 102 L H H 35.14 15.92 18.42 34.22 91.97 49.10 -65.45 -41.21 0.15 0.00 99.85 0.00 0.00 0.12 99.83 0.04 0.00 0.00 0.00 103 T H H 44.00 11.10 19.90 31.37 92.07 49.99 -64.85 -41.82 0.54 0.00 99.46 0.02 0.02 0.45 99.43 0.07 0.00 0.00 0.00 104 I H H 89.55 2.94 23.27 25.15 91.62 49.83 -64.05 -42.33 0.50 0.00 99.50 0.03 0.02 0.40 99.46 0.10 0.00 0.00 0.00 105 G H H 17.70 9.58 18.91 29.92 91.70 50.95 -63.51 -42.53 0.63 0.00 99.37 0.04 0.03 0.48 99.31 0.14 0.00 0.00 0.00 106 F H H 50.12 14.38 17.81 32.38 92.12 49.85 -64.39 -41.65 0.59 0.00 99.41 0.04 0.03 0.46 99.31 0.16 0.00 0.00 0.00 107 L H H 75.17 5.43 20.32 25.95 91.52 50.23 -63.85 -42.25 0.43 0.00 99.56 0.04 0.02 0.33 99.45 0.16 0.00 0.00 0.00 108 Y H H 108.63 3.38 19.84 23.06 91.73 49.11 -64.28 -42.21 0.51 0.00 99.49 0.04 0.04 0.41 99.23 0.27 0.00 0.00 0.00 109 E H H 38.57 10.98 14.53 27.22 91.75 50.18 -64.29 -41.42 0.89 0.01 99.10 0.09 0.07 0.72 98.56 0.55 0.01 0.00 0.00 110 W H H 102.63 9.22 14.05 24.28 92.07 49.22 -65.17 -40.78 1.43 0.01 98.56 0.09 0.08 1.25 97.69 0.87 0.01 0.00 0.00 111 K H H 138.94 2.20 15.68 18.01 91.67 51.16 -66.45 -34.36 5.89 0.01 94.10 0.15 0.22 5.75 93.10 0.75 0.01 0.00 0.00 112 R C T 140.36 2.88 14.25 17.81 94.28 48.29 -86.50 -6.71 71.62 0.05 28.34 0.48 1.66 68.12 28.59 1.07 0.01 0.01 0.04 113 G C T 40.95 5.73 13.68 20.75 98.30 -109.06 77.66 12.90 94.87 0.05 5.08 2.17 2.98 89.99 4.05 0.75 0.00 0.02 0.04 114 A C C 45.80 8.49 11.74 21.82 95.91 126.49 -72.91 -20.91 75.43 0.62 23.95 31.87 16.22 25.85 3.48 21.89 0.00 0.29 0.39 115 L C T 79.95 9.47 10.95 21.16 101.30 58.53 -91.12 0.71 67.03 2.85 30.12 18.24 18.31 31.19 3.27 26.27 0.02 1.47 1.23 116 D C C 100.83 2.99 13.12 17.38 106.17 90.72 -91.35 88.37 70.68 3.70 25.62 42.36 12.29 14.82 2.57 24.64 0.00 2.25 1.06 117 W C C 137.92 8.72 8.17 17.79 108.85 149.43 -86.99 104.88 91.69 3.12 5.20 85.99 1.78 4.87 1.56 2.72 0.00 1.82 1.26 118 E C C 141.06 2.40 13.86 17.54 109.28 100.16 -89.39 114.50 99.89 0.09 0.01 99.86 0.05 0.02 0.00 0.00 0.00 0.05 0.01