# 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 121.07 4.95 11.56 18.11 111.48 -154.42 -90.62 125.50 99.94 0.04 0.02 99.81 0.10 0.06 0.01 0.00 0.00 0.01 0.01 1 S C C 70.15 4.94 9.38 16.08 115.82 -151.15 -91.88 140.25 94.25 1.05 4.69 88.84 1.19 5.15 1.56 2.14 0.00 0.47 0.64 2 A C C 84.77 2.78 10.31 14.59 102.62 -135.39 -81.02 -6.45 92.49 1.16 6.34 46.01 29.66 17.15 1.44 4.54 0.00 0.50 0.68 3 V C C 91.77 5.49 10.34 17.39 111.94 86.61 -94.72 117.08 92.44 1.42 6.15 45.34 31.52 15.89 1.40 4.38 0.00 0.63 0.83 4 N C C 96.81 6.29 13.06 20.61 105.99 -147.47 -89.33 46.09 93.82 1.55 4.63 68.23 16.80 8.43 1.39 3.30 0.00 0.66 1.19 5 D C C 58.19 7.46 15.38 24.37 117.09 79.85 -103.19 130.74 97.92 0.55 1.53 84.63 12.61 0.69 1.07 0.35 0.00 0.15 0.50 6 P H G 35.56 16.42 13.61 30.43 92.26 -138.25 -61.06 -31.59 15.65 0.16 84.19 3.08 1.63 10.34 31.41 53.39 0.00 0.10 0.05 7 L H G 62.92 12.34 15.88 28.71 91.32 60.66 -66.28 -27.52 7.39 0.04 92.58 0.76 0.56 5.78 32.75 60.11 0.00 0.03 0.01 8 E H G 108.90 4.67 19.50 24.74 92.17 59.41 -70.04 -26.80 5.93 0.04 94.04 0.77 0.55 4.36 33.02 61.27 0.00 0.03 0.01 9 L H G 48.22 14.06 15.63 29.79 94.39 56.49 -76.29 -26.22 22.57 0.26 77.17 2.77 2.95 15.41 34.43 44.13 0.04 0.13 0.14 10 L C S 40.36 16.91 13.03 29.59 106.73 60.07 -93.92 48.66 74.94 3.59 21.47 29.66 36.36 9.70 12.93 6.88 0.06 1.01 3.41 11 T C C 77.07 6.17 15.92 23.04 107.95 65.50 -80.60 115.40 90.31 1.63 8.06 59.54 15.89 14.82 4.36 3.57 0.00 0.73 1.08 12 N C C 103.53 5.56 12.77 19.82 104.11 -109.35 -83.98 54.63 92.50 1.28 6.22 52.87 20.89 18.92 1.94 3.95 0.00 0.54 0.87 13 K C C 122.44 5.67 11.04 18.24 105.17 160.08 -91.80 41.28 92.24 1.28 6.48 58.13 18.05 15.74 1.52 5.07 0.00 0.56 0.93 14 G C C 45.09 5.19 11.20 17.86 111.97 -135.62 41.10 -13.56 93.27 0.83 5.90 41.08 23.91 27.73 0.79 5.65 0.00 0.38 0.48 15 T C C 111.51 1.89 12.21 14.89 102.68 -38.04 -89.47 19.68 92.98 1.39 5.63 44.57 25.28 22.60 0.76 5.39 0.00 0.65 0.74 16 H C C 108.37 6.32 9.79 17.78 114.93 118.62 -91.51 134.86 94.68 2.36 2.96 64.65 25.20 4.51 0.78 2.21 0.00 0.98 1.67 17 E C C 131.30 3.39 12.94 18.03 116.76 -132.37 -91.35 135.72 98.13 1.32 0.55 84.10 13.38 0.67 0.25 0.24 0.00 0.52 0.84 18 P C C 73.17 8.89 10.55 20.56 113.73 -105.74 -66.52 147.76 97.62 0.92 1.47 91.11 4.71 1.99 0.63 0.60 0.00 0.38 0.59 19 S C C 57.26 6.12 11.84 19.53 116.97 -116.03 -82.72 154.35 95.97 1.25 2.77 87.10 5.50 3.38 1.22 1.22 0.00 0.42 1.15 20 F C T 152.86 3.37 11.96 16.85 95.20 -123.69 -70.23 -21.89 87.01 0.84 12.15 15.61 31.09 41.28 5.81 5.15 0.01 0.34 0.71 21 L C T 106.99 4.03 12.14 17.49 98.55 60.94 -84.64 -7.85 79.64 0.95 19.41 14.14 24.39 41.91 10.99 7.26 0.03 0.37 0.92 22 S C G 46.24 8.54 11.49 21.42 104.80 77.79 -82.50 53.05 49.81 1.10 49.09 21.60 12.92 16.59 19.97 27.70 0.02 0.48 0.72 23 P H G 79.56 5.91 14.23 21.37 96.76 53.39 -72.47 -20.58 46.85 0.89 52.26 12.40 9.14 25.52 22.85 29.01 0.06 0.43 0.59 24 I H G 81.23 9.15 13.25 23.25 101.13 59.87 -85.32 -4.46 46.27 1.17 52.56 13.93 8.69 24.14 24.72 27.07 0.08 0.54 0.82 25 W H H 137.45 5.81 15.94 22.77 96.31 91.57 -69.79 -36.63 30.47 0.60 68.93 16.35 8.79 7.54 62.93 3.81 0.02 0.21 0.35 26 N H H 80.20 5.94 18.15 24.60 94.96 55.17 -68.59 -39.67 12.58 0.11 87.31 4.68 2.51 5.96 84.81 1.91 0.02 0.05 0.06 27 P H H 43.68 13.07 16.00 29.35 93.00 51.49 -66.03 -39.21 7.15 0.07 92.77 1.69 0.92 4.65 90.85 1.80 0.03 0.03 0.03 28 I H H 74.28 9.17 18.61 28.21 92.59 50.51 -65.83 -40.77 3.14 0.05 96.81 0.64 0.37 2.07 95.59 1.27 0.02 0.02 0.02 29 A H H 57.52 3.90 22.17 25.74 91.97 50.00 -64.96 -41.91 2.15 0.03 97.82 0.42 0.25 1.42 97.18 0.70 0.01 0.01 0.01 30 C H H 44.35 9.17 20.32 30.26 92.06 49.28 -64.85 -41.58 1.89 0.02 98.09 0.28 0.17 1.33 97.73 0.46 0.01 0.01 0.01 31 G H H 13.71 15.60 18.16 34.03 91.76 51.47 -63.99 -42.47 1.64 0.01 98.36 0.20 0.12 1.18 98.15 0.35 0.00 0.00 0.00 32 V H H 73.84 6.33 24.28 30.56 91.94 48.38 -64.76 -41.86 1.15 0.00 98.85 0.12 0.08 0.82 98.76 0.22 0.00 0.00 0.00 33 A H H 54.87 4.59 24.72 29.26 91.82 50.08 -64.42 -42.06 0.64 0.00 99.35 0.07 0.04 0.41 99.35 0.13 0.00 0.00 0.00 34 G H H 14.25 14.31 19.81 34.47 92.07 50.59 -63.79 -42.83 0.66 0.00 99.34 0.07 0.04 0.42 99.36 0.12 0.00 0.00 0.00 35 V H H 51.70 12.99 22.54 35.10 91.83 48.96 -64.16 -41.94 0.54 0.00 99.46 0.06 0.03 0.35 99.47 0.09 0.00 0.00 0.00 36 G H H 32.78 5.16 24.37 29.36 91.65 50.35 -63.74 -42.68 0.44 0.00 99.56 0.05 0.02 0.26 99.59 0.07 0.00 0.00 0.00 37 A H H 41.12 6.60 23.02 30.18 91.62 50.66 -63.74 -42.48 0.32 0.00 99.68 0.03 0.01 0.19 99.70 0.06 0.00 0.00 0.00 38 A H H 19.57 15.01 18.89 34.38 91.60 50.40 -63.81 -41.75 0.33 0.00 99.67 0.02 0.01 0.22 99.67 0.07 0.00 0.00 0.00 39 I H H 65.02 10.16 20.52 30.98 91.76 49.96 -64.05 -41.80 0.45 0.00 99.54 0.03 0.02 0.31 99.55 0.09 0.00 0.00 0.00 40 F H H 105.89 3.61 22.43 25.13 91.61 49.91 -63.94 -42.60 0.53 0.00 99.47 0.06 0.03 0.34 99.45 0.12 0.00 0.00 0.00 41 I H H 61.50 6.94 19.02 27.06 91.86 48.82 -64.92 -41.81 1.01 0.00 98.99 0.08 0.07 0.75 98.85 0.26 0.00 0.00 0.00 42 N H H 22.82 13.04 13.10 27.67 91.64 49.99 -64.43 -41.02 2.03 0.01 97.96 0.19 0.14 1.52 97.55 0.58 0.00 0.00 0.00 43 W H H 137.64 5.01 15.32 21.38 92.32 48.84 -65.37 -39.67 3.24 0.01 96.75 0.20 0.18 2.74 95.69 1.17 0.01 0.00 0.00 44 G H H 51.78 2.11 14.97 17.24 92.19 52.75 -68.32 -30.78 11.65 0.02 88.33 0.37 0.60 11.00 86.87 1.12 0.03 0.01 0.02 45 F C T 123.36 3.71 12.92 17.92 96.52 42.89 -95.85 3.62 78.97 0.07 20.96 0.84 3.66 73.33 20.70 1.36 0.00 0.02 0.07 46 R C T 187.87 1.44 14.23 16.29 94.49 -118.32 60.31 36.67 98.54 0.03 1.43 4.42 4.05 90.30 1.00 0.20 0.00 0.01 0.01 47 K C C 81.29 8.56 9.83 20.06 122.02 149.35 -94.63 147.60 99.66 0.26 0.08 87.33 12.11 0.21 0.04 0.03 0.00 0.08 0.21 48 P C C 72.91 4.09 15.63 20.70 112.87 -98.16 -64.31 144.97 98.59 0.50 0.91 96.85 1.33 0.58 0.33 0.34 0.00 0.15 0.41 49 V H G 86.95 9.22 11.82 22.16 93.36 -115.54 -60.63 -32.62 37.03 0.31 62.66 4.74 5.80 26.10 5.88 57.09 0.00 0.15 0.22 50 F H G 144.43 3.05 16.97 20.62 92.64 59.25 -73.92 -16.11 33.65 0.35 66.00 4.16 4.27 24.70 7.14 59.33 0.01 0.18 0.21 51 S H G 42.60 8.51 15.07 25.08 95.82 69.60 -77.65 -14.72 29.90 0.59 69.51 9.75 5.97 14.34 7.50 61.87 0.01 0.29 0.27 52 G C C 14.81 14.72 14.06 29.12 98.90 50.08 -83.91 -2.82 64.67 1.04 34.29 42.13 12.96 10.44 19.89 13.33 0.00 0.34 0.92 53 I H H 73.17 10.02 16.74 27.57 93.36 102.59 -61.71 -41.67 14.51 0.26 85.23 6.04 3.07 6.09 80.52 3.95 0.07 0.11 0.15 54 Q H H 110.27 2.72 20.26 22.73 91.91 52.27 -64.21 -40.04 7.90 0.09 92.01 2.44 1.02 4.36 88.31 3.76 0.02 0.04 0.04 55 K H H 88.45 7.49 19.25 27.44 92.12 49.65 -66.00 -39.78 3.47 0.03 96.50 0.99 0.35 1.98 93.46 3.18 0.01 0.01 0.01 56 H H H 43.99 16.16 15.90 31.99 92.03 51.15 -63.86 -42.12 1.92 0.01 98.07 0.35 0.19 1.22 96.57 1.65 0.01 0.01 0.00 57 I H H 84.27 6.13 20.34 27.11 91.80 49.59 -63.90 -41.89 1.19 0.00 98.80 0.19 0.10 0.77 98.37 0.55 0.00 0.00 0.00 58 A H H 60.00 2.72 21.74 23.61 91.80 49.53 -64.45 -42.26 0.57 0.00 99.43 0.09 0.03 0.37 99.29 0.22 0.00 0.00 0.00 59 F H H 74.10 9.40 19.66 29.72 92.13 48.42 -64.97 -41.47 0.46 0.00 99.54 0.05 0.02 0.32 99.45 0.15 0.00 0.00 0.00 60 G H H 17.03 13.66 17.31 31.54 91.85 50.99 -63.46 -41.81 0.40 0.00 99.60 0.05 0.02 0.26 99.56 0.11 0.00 0.00 0.00 61 A H H 56.51 3.99 22.13 26.05 91.75 49.74 -64.51 -41.91 0.37 0.00 99.63 0.04 0.02 0.26 99.58 0.11 0.00 0.00 0.00 62 I H H 92.40 3.16 23.20 25.63 92.00 48.53 -64.92 -41.87 0.38 0.00 99.62 0.03 0.02 0.27 99.57 0.10 0.00 0.00 0.00 63 G H H 17.65 12.36 18.05 31.29 92.11 50.03 -64.23 -42.37 0.40 0.00 99.60 0.06 0.02 0.26 99.57 0.09 0.00 0.00 0.00 64 V H H 61.69 9.49 20.00 29.87 91.85 49.96 -63.78 -42.28 0.25 0.00 99.75 0.02 0.01 0.17 99.73 0.06 0.00 0.00 0.00 65 G H H 38.46 2.66 22.81 24.51 91.65 49.56 -63.41 -42.60 0.29 0.00 99.71 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 66 A H H 49.79 4.54 21.65 26.35 91.75 49.14 -64.40 -42.00 0.26 0.00 99.74 0.02 0.01 0.18 99.72 0.07 0.00 0.00 0.00 67 G H H 14.62 12.44 16.82 30.53 91.93 51.09 -63.87 -41.82 0.33 0.00 99.67 0.03 0.02 0.22 99.66 0.07 0.00 0.00 0.00 68 A H H 47.93 6.23 19.77 26.78 91.89 51.07 -64.09 -41.70 0.28 0.00 99.72 0.02 0.01 0.21 99.68 0.08 0.00 0.00 0.00 69 Y H H 126.53 2.30 21.22 22.38 91.80 49.82 -64.45 -42.05 0.33 0.00 99.67 0.02 0.01 0.24 99.63 0.09 0.00 0.00 0.00 70 F H H 84.55 5.98 18.47 25.39 91.90 49.50 -64.63 -41.71 0.30 0.00 99.70 0.03 0.02 0.20 99.68 0.07 0.00 0.00 0.00 71 D H H 53.42 8.65 16.62 26.47 91.79 50.98 -64.08 -41.00 0.35 0.00 99.65 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 72 Q H H 97.65 3.03 18.79 21.78 91.85 50.14 -64.74 -40.98 0.40 0.00 99.60 0.05 0.02 0.27 99.59 0.07 0.00 0.00 0.00 73 K H H 107.10 2.77 18.53 21.13 91.95 50.04 -64.79 -41.65 0.36 0.00 99.64 0.05 0.02 0.23 99.64 0.07 0.00 0.00 0.00 74 R H H 104.86 6.06 17.09 24.16 91.98 50.20 -64.84 -41.10 0.21 0.00 99.79 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 75 N H H 77.03 4.65 17.11 22.57 91.73 50.19 -64.55 -40.40 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 76 E H H 104.16 2.27 18.30 20.02 91.81 50.22 -64.42 -41.47 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 77 Y H H 110.14 3.67 18.03 22.09 92.06 49.36 -64.56 -41.97 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 78 L H H 69.11 5.66 16.55 23.54 91.96 49.75 -64.73 -40.94 0.33 0.00 99.67 0.03 0.01 0.23 99.67 0.05 0.00 0.00 0.00 79 A H H 51.93 3.58 16.78 21.07 91.64 51.08 -63.90 -40.98 0.40 0.00 99.60 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 80 K H H 120.09 1.93 18.61 19.65 91.94 49.37 -65.30 -41.17 0.48 0.00 99.52 0.04 0.03 0.33 99.57 0.04 0.00 0.00 0.00 81 R H H 109.31 4.60 17.19 22.68 91.92 49.51 -64.80 -41.34 0.32 0.00 99.68 0.03 0.02 0.21 99.72 0.03 0.00 0.00 0.00 82 D H H 63.17 5.35 15.99 22.69 91.76 50.49 -64.12 -40.92 0.29 0.00 99.71 0.03 0.01 0.17 99.76 0.02 0.00 0.00 0.00 83 A H H 54.73 2.42 17.25 19.58 91.53 50.44 -63.90 -41.38 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 84 V H H 77.21 2.84 17.28 20.21 91.93 49.21 -65.21 -41.49 0.17 0.00 99.83 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 85 L H H 67.68 6.86 14.71 22.97 92.04 49.86 -65.02 -41.09 0.17 0.00 99.83 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 86 R H H 123.80 3.61 15.95 20.40 91.70 51.51 -63.97 -40.82 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 87 H H H 109.02 1.69 16.83 17.62 91.79 50.73 -64.46 -40.86 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 88 Y H H 93.70 4.78 14.39 20.72 92.13 50.08 -64.65 -41.23 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 89 I H H 63.91 8.04 11.64 21.28 92.05 50.59 -65.48 -39.09 0.22 0.00 99.78 0.01 0.01 0.17 99.72 0.09 0.00 0.00 0.00 90 E H H 133.76 1.50 14.40 15.79 92.45 50.02 -67.40 -36.69 1.69 0.00 98.31 0.03 0.03 1.69 98.09 0.15 0.00 0.00 0.00 91 L H H 118.19 1.42 13.81 14.77 95.16 43.41 -78.46 -30.78 5.89 0.00 94.10 0.08 0.34 5.60 93.81 0.17 0.00 0.00 0.00 92 H C C 83.70 5.50 10.31 17.89 110.71 26.20 -131.46 66.02 99.79 0.06 0.15 84.60 14.90 0.29 0.08 0.05 0.00 0.01 0.07 93 P H G 74.86 7.36 8.59 17.93 92.57 159.30 -61.42 -31.24 14.30 0.05 85.64 1.29 0.82 9.61 1.20 87.04 0.00 0.03 0.01 94 D H G 128.13 0.60 13.81 13.05 90.82 62.07 -70.47 -19.34 14.25 0.03 85.72 0.32 0.63 11.50 1.11 86.42 0.00 0.01 0.00 95 D H G 94.39 3.36 12.44 17.07 95.27 53.00 -89.25 -9.02 14.55 0.08 85.37 1.04 1.53 9.71 1.35 86.31 0.00 0.05 0.01 96 F C S 59.70 13.70 6.66 19.91 117.92 76.90 -100.47 127.68 98.55 0.33 1.12 21.30 76.75 0.69 0.50 0.31 0.00 0.07 0.38 97 P C C 82.65 3.26 12.44 17.10 114.77 -120.28 -70.06 148.67 98.27 0.24 1.48 92.47 4.75 1.28 0.62 0.59 0.00 0.09 0.21 98 V C C 117.45 2.43 10.73 15.01 111.82 -110.25 -79.77 136.23 96.86 0.39 2.75 88.77 6.41 1.88 1.31 1.14 0.00 0.14 0.35 99 K C C 134.88 4.51 8.15 14.75 115.39 -124.02 -84.79 138.97 97.10 0.49 2.41 87.51 7.70 2.03 1.06 1.08 0.00 0.18 0.44 100 E C C 143.48 1.83 10.46 13.51 114.32 -127.73 -89.55 134.60 98.25 0.44 1.31 86.78 9.76 1.80 0.57 0.59 0.00 0.18 0.32 101 R C C 174.33 2.37 9.06 13.56 113.40 -120.21 -81.44 130.85 98.14 1.04 0.82 90.08 6.92 1.26 0.35 0.35 0.00 0.48 0.55 102 K C C 109.41 5.32 8.99 16.34 120.69 -159.87 -108.14 143.43 96.92 2.48 0.60 94.03 2.84 0.42 0.32 0.18 0.00 1.23 0.98 103 T C C 74.67 2.64 13.08 16.50 119.98 -121.95 -82.17 158.31 80.75 18.11 1.14 75.89 3.15 0.38 1.00 0.20 0.00 4.04 15.33 104 Y H H 133.85 6.23 9.72 17.66 92.13 -110.41 -58.93 -38.01 11.56 0.27 88.17 2.32 1.77 6.77 66.72 22.09 0.07 0.16 0.09 105 G H H 42.63 3.05 11.49 15.92 91.63 56.84 -63.83 -32.37 6.24 0.06 93.70 0.74 0.54 4.18 68.41 26.06 0.01 0.04 0.01 106 Q H H 110.39 2.49 12.44 15.87 92.78 55.05 -69.98 -28.51 4.66 0.05 95.28 0.60 0.46 3.03 69.10 26.76 0.01 0.04 0.01 107 V H H 77.54 6.07 10.44 17.98 97.09 46.94 -80.98 -29.56 13.55 0.22 86.23 1.95 1.99 9.03 71.76 14.95 0.12 0.11 0.11 108 L C H 98.22 4.79 9.72 16.04 101.31 47.39 -96.46 1.61 51.41 3.16 45.43 15.22 12.12 25.93 35.23 7.88 0.28 1.10 2.25 109 E C C 122.72 2.98 9.87 14.77 116.23 115.29 -80.61 145.45 88.71 2.21 9.07 50.73 29.03 9.37 5.11 3.58 0.00 1.02 1.15 110 S C C 90.38 1.53 11.79 14.04 110.27 -94.14 -72.61 137.05 90.55 2.58 6.86 57.95 19.10 13.97 2.24 4.18 0.00 1.62 0.94 111 W C C 148.53 7.46 6.61 15.09 115.34 -138.21 -92.11 134.21 89.72 6.78 3.50 71.01 11.77 6.76 1.10 2.41 0.00 4.56 2.39 112 V C C 109.20 1.80 10.48 13.54 117.83 -166.32 -114.55 124.29 88.16 11.49 0.36 72.62 14.95 0.93 0.15 0.23 0.00 8.88 2.24 113 P C C 97.68 3.89 7.72 13.73 113.68 -114.20 -67.68 140.98 85.14 14.16 0.71 73.92 8.11 2.89 0.24 0.48 0.00 11.09 3.26 114 V C C 114.00 2.37 7.23 11.47 113.22 -155.34 -100.69 124.12 91.87 7.65 0.48 90.31 1.03 1.45 0.20 0.16 0.00 4.20 2.65 115 R C C 180.78 1.70 9.42 12.50 110.63 -120.40 -89.52 119.87 99.93 0.07 0.00 99.89 0.06 0.01 0.00 0.00 0.00 0.04 0.01