# 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 A C C 67.56 5.60 13.45 20.44 113.12 -121.85 -76.48 145.74 99.95 0.02 0.03 99.89 0.04 0.04 0.01 0.00 0.00 0.01 0.00 1 R C C 158.20 3.90 11.38 17.06 113.09 -132.67 -89.96 130.29 89.72 3.50 6.78 86.60 1.60 2.11 5.52 0.86 0.00 1.56 1.76 2 V C C 80.74 8.07 8.98 18.28 115.57 -145.25 -95.33 131.23 84.40 3.57 12.04 73.61 6.79 3.37 11.29 1.65 0.00 2.03 1.27 3 K C C 136.34 3.40 13.10 18.07 112.08 -145.88 -88.71 128.91 80.48 2.86 16.66 68.01 6.89 4.26 16.51 1.79 0.00 1.67 0.86 4 R C C 136.49 6.92 12.20 20.23 107.44 -145.24 -83.74 115.29 64.75 1.47 33.78 46.68 9.20 6.82 34.18 1.90 0.00 0.69 0.52 5 G H H 31.87 7.47 12.94 21.58 108.89 51.25 -55.02 -124.33 44.01 0.51 55.49 28.81 7.77 6.44 55.04 1.55 0.00 0.19 0.20 6 V H H 92.80 2.92 15.02 18.42 94.02 -36.58 -65.27 -38.85 11.91 0.20 87.89 6.31 2.37 3.77 85.96 1.42 0.01 0.09 0.07 7 I H H 84.60 3.95 16.52 21.17 92.83 50.69 -65.73 -40.90 6.49 0.15 93.36 3.29 1.12 2.46 91.73 1.28 0.01 0.08 0.04 8 A H H 23.23 11.31 13.13 26.03 92.16 51.03 -64.37 -41.13 4.76 0.08 95.16 2.39 0.70 1.88 93.82 1.15 0.00 0.04 0.02 9 R H H 114.36 6.27 16.88 24.22 92.03 51.28 -64.16 -40.75 3.72 0.04 96.24 1.50 0.46 1.70 95.57 0.74 0.00 0.02 0.01 10 R H H 131.41 2.16 19.57 20.87 91.95 50.21 -65.02 -41.44 2.01 0.01 97.98 0.70 0.23 0.92 97.78 0.36 0.00 0.00 0.00 11 R H H 99.30 6.97 18.36 26.14 92.14 49.50 -65.23 -41.10 1.61 0.01 98.38 0.49 0.16 0.80 98.26 0.30 0.00 0.00 0.00 12 H H H 47.40 15.00 15.31 30.45 92.11 51.05 -64.42 -40.89 1.28 0.01 98.71 0.35 0.11 0.65 98.65 0.23 0.00 0.00 0.00 13 K H H 108.93 4.18 20.23 24.75 91.84 50.92 -64.22 -40.54 1.07 0.00 98.93 0.27 0.10 0.54 98.92 0.18 0.00 0.00 0.00 14 K H H 108.52 2.76 21.15 23.13 91.82 49.93 -64.92 -41.28 1.29 0.00 98.71 0.29 0.11 0.71 98.67 0.22 0.00 0.00 0.00 15 I H H 29.75 13.95 16.48 31.34 92.16 49.48 -64.70 -42.53 1.03 0.00 98.97 0.19 0.09 0.62 98.74 0.35 0.00 0.00 0.00 16 L H H 47.31 13.20 16.20 29.92 91.88 50.83 -63.87 -40.29 1.17 0.00 98.83 0.17 0.09 0.77 97.93 1.03 0.00 0.00 0.00 17 K H H 133.90 1.80 21.31 21.98 91.96 50.91 -64.64 -38.99 4.19 0.01 95.80 0.30 0.23 3.47 93.62 2.37 0.01 0.00 0.00 18 L H H 86.77 5.42 18.05 24.16 92.30 50.17 -69.36 -31.29 11.20 0.02 88.78 0.50 0.64 9.81 86.28 2.73 0.02 0.00 0.01 19 A H H 16.45 18.15 10.70 28.55 95.09 54.23 -80.82 -11.00 39.18 0.17 60.66 6.16 4.67 28.37 54.64 5.92 0.04 0.06 0.14 20 K C T 138.78 4.38 15.29 21.85 103.11 110.63 -65.44 98.64 74.46 0.27 25.26 5.70 4.31 64.29 13.51 11.80 0.00 0.12 0.26 21 G C T 60.87 1.28 16.41 17.09 97.06 28.50 61.07 -1.76 81.49 0.25 18.26 7.14 6.84 67.59 5.45 12.66 0.00 0.13 0.20 22 Y C C 98.31 11.57 9.71 21.67 112.80 104.05 -88.21 123.55 87.21 1.50 11.29 66.51 10.91 9.50 3.21 8.22 0.00 0.72 0.93 23 Y C C 159.88 3.44 13.24 18.29 114.24 -169.14 -102.24 128.67 88.21 4.23 7.56 60.45 12.56 15.13 3.43 3.79 0.00 1.94 2.68 24 G C C 41.91 4.85 13.74 20.00 125.01 44.19 120.22 -169.06 88.27 2.48 9.24 32.60 32.31 24.21 3.44 5.05 0.01 1.18 1.21 25 A C C 66.99 4.69 12.85 18.90 109.54 -63.91 -79.00 129.28 84.56 1.46 13.98 59.26 14.65 10.51 8.53 5.50 0.00 0.63 0.91 26 R H H 143.91 5.11 12.08 18.79 98.75 -128.53 -68.06 -33.91 36.90 0.74 62.36 20.92 8.36 9.37 52.05 8.58 0.02 0.33 0.36 27 S H H 77.65 2.44 13.96 17.00 94.60 58.75 -66.88 -33.18 23.51 0.28 76.21 7.27 4.40 12.11 66.29 9.62 0.04 0.14 0.13 28 R H H 138.04 2.78 15.15 18.32 94.81 51.35 -73.80 -32.80 18.51 0.35 81.13 7.75 2.99 8.28 71.84 8.78 0.03 0.20 0.14 29 V H H 50.31 9.68 13.20 24.18 93.19 54.21 -65.53 -41.02 7.97 0.14 91.89 4.50 1.32 2.58 89.63 1.85 0.00 0.07 0.05 30 F H H 89.35 8.52 15.69 25.05 92.54 51.02 -65.28 -41.15 2.71 0.04 97.26 1.16 0.36 1.06 96.85 0.55 0.00 0.02 0.01 31 R H H 138.56 2.24 19.77 21.33 92.50 50.05 -65.41 -41.42 1.56 0.02 98.42 0.55 0.17 0.71 98.22 0.34 0.00 0.01 0.00 32 V H H 63.31 5.43 19.13 25.35 92.41 49.19 -65.20 -41.95 0.81 0.00 99.18 0.24 0.08 0.38 99.12 0.18 0.00 0.00 0.00 33 A H H 20.84 13.69 15.31 30.10 92.00 51.12 -63.77 -42.07 0.50 0.00 99.50 0.12 0.04 0.24 99.51 0.10 0.00 0.00 0.00 34 K H H 100.92 6.12 20.30 26.88 91.85 50.42 -64.19 -41.37 0.35 0.00 99.65 0.06 0.02 0.18 99.68 0.05 0.00 0.00 0.00 35 Q H H 97.94 2.81 21.95 23.97 91.96 49.80 -64.75 -41.21 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 36 A H H 31.10 9.41 17.91 28.68 92.12 50.44 -64.75 -41.02 0.21 0.00 99.79 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 37 V H H 49.03 11.31 17.81 29.62 92.25 49.38 -64.64 -41.98 0.30 0.00 99.70 0.04 0.02 0.18 99.72 0.05 0.00 0.00 0.00 38 I H H 90.29 3.67 20.87 24.30 91.89 48.94 -64.42 -42.00 0.67 0.00 99.33 0.08 0.04 0.42 99.39 0.08 0.00 0.00 0.00 39 K H H 111.43 3.17 20.92 23.81 92.17 48.73 -65.08 -41.23 1.12 0.00 98.87 0.14 0.07 0.70 98.96 0.13 0.00 0.00 0.00 40 A H H 32.01 9.85 16.78 27.82 91.91 50.65 -64.16 -41.00 1.07 0.00 98.93 0.14 0.07 0.65 98.92 0.21 0.00 0.00 0.00 41 G H H 28.77 7.27 17.93 26.07 92.42 51.12 -63.98 -40.88 1.69 0.00 98.30 0.21 0.11 1.12 98.20 0.35 0.00 0.00 0.00 42 Q H H 99.19 2.74 19.89 22.08 92.30 50.34 -65.31 -41.28 1.95 0.00 98.05 0.28 0.15 1.25 97.83 0.47 0.00 0.00 0.00 43 Y H H 107.26 4.48 18.85 23.76 92.26 49.30 -65.59 -40.98 2.31 0.01 97.69 0.47 0.24 1.38 97.22 0.67 0.00 0.00 0.00 44 A H H 34.10 8.83 15.27 25.39 92.26 51.75 -64.22 -41.04 3.31 0.01 96.68 0.72 0.33 1.98 96.16 0.81 0.00 0.00 0.00 45 Y H H 121.15 3.76 17.89 21.92 92.29 49.67 -65.53 -40.90 4.73 0.02 95.25 0.98 0.52 3.00 94.27 1.21 0.00 0.01 0.01 46 R H H 133.64 2.11 18.36 19.81 92.78 49.75 -66.09 -39.98 7.48 0.02 92.50 1.27 0.84 5.00 91.87 0.99 0.01 0.01 0.01 47 D H H 61.15 5.41 15.84 22.32 93.61 49.36 -67.67 -37.95 16.06 0.04 83.91 4.44 1.46 9.32 83.80 0.94 0.00 0.01 0.02 48 R H H 106.80 7.03 15.36 23.18 92.42 52.72 -64.34 -40.74 3.06 0.01 96.94 0.81 0.37 1.52 96.80 0.49 0.00 0.00 0.00 49 R H H 135.74 2.36 17.28 19.57 92.37 50.23 -65.34 -41.07 1.85 0.00 98.14 0.40 0.18 1.05 97.91 0.45 0.00 0.00 0.00 50 Q H H 95.55 2.38 17.54 19.62 92.16 49.24 -65.31 -41.08 1.61 0.00 98.39 0.39 0.15 0.86 98.18 0.40 0.00 0.00 0.00 51 R H H 107.45 5.60 16.21 22.68 92.08 49.99 -64.78 -41.10 1.01 0.00 98.98 0.25 0.09 0.49 98.99 0.17 0.00 0.00 0.00 52 K H H 94.49 6.80 16.37 24.20 92.00 50.64 -64.44 -40.84 0.63 0.00 99.37 0.12 0.04 0.33 99.39 0.11 0.00 0.00 0.00 53 R H H 133.69 2.61 18.30 20.85 92.19 50.00 -65.03 -40.98 0.36 0.00 99.64 0.05 0.02 0.20 99.64 0.07 0.00 0.00 0.00 54 Q H H 99.32 2.91 19.21 21.83 92.11 49.39 -65.31 -41.03 0.26 0.00 99.74 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 55 F H H 72.90 9.39 17.26 27.56 92.27 48.98 -64.69 -41.98 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 56 R H H 94.23 10.86 18.08 29.20 91.82 51.28 -63.28 -41.08 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 57 A H H 55.05 3.77 20.69 24.39 91.66 50.64 -64.19 -41.29 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 58 L H H 76.84 4.91 21.72 26.72 92.03 49.45 -64.85 -41.41 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 59 W H H 41.81 16.43 18.54 35.02 91.90 49.80 -64.13 -42.52 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 60 I H H 48.78 13.52 20.28 33.83 91.70 49.98 -63.59 -41.96 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 61 A H H 57.18 3.36 24.29 26.98 91.57 50.67 -64.11 -41.56 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 62 R H H 92.19 9.68 23.48 33.07 91.88 49.16 -65.49 -41.29 0.31 0.00 99.69 0.02 0.01 0.24 99.69 0.04 0.00 0.00 0.00 63 I H H 9.70 22.88 18.79 41.57 91.80 49.34 -64.51 -43.05 0.49 0.00 99.51 0.03 0.02 0.35 99.54 0.05 0.00 0.00 0.00 64 N H H 64.59 9.79 23.62 33.50 91.48 50.60 -63.24 -41.51 0.82 0.00 99.18 0.10 0.04 0.49 99.28 0.09 0.00 0.00 0.00 65 A H H 45.89 3.49 24.74 27.87 91.41 50.54 -63.46 -42.30 0.54 0.00 99.46 0.05 0.02 0.35 99.44 0.14 0.00 0.00 0.00 66 G H H 8.69 13.12 19.07 33.70 91.76 50.78 -64.12 -41.96 0.61 0.00 99.39 0.05 0.03 0.42 99.30 0.20 0.00 0.00 0.00 67 A H H 9.57 17.62 14.59 33.00 91.56 51.27 -63.60 -41.32 0.84 0.00 99.16 0.11 0.06 0.53 98.96 0.34 0.00 0.00 0.00 68 R H H 162.14 2.14 19.32 21.70 91.80 50.24 -63.75 -40.51 1.38 0.00 98.61 0.15 0.08 1.02 97.93 0.82 0.00 0.00 0.00 69 Q H H 126.48 2.54 17.31 20.37 91.77 51.99 -66.72 -30.86 6.80 0.01 93.20 0.19 0.27 6.39 92.33 0.80 0.01 0.00 0.00 70 N C T 68.98 9.99 13.28 24.33 95.75 43.67 -95.63 2.79 64.49 0.01 35.50 0.37 1.23 62.80 34.64 0.93 0.00 0.00 0.01 71 G C T 61.51 1.06 19.43 18.91 94.89 -111.09 76.93 16.88 99.90 0.00 0.10 1.42 1.49 97.04 0.04 0.01 0.00 0.00 0.00 72 L C C 32.97 17.03 9.86 26.69 121.82 135.08 -102.63 142.06 99.64 0.31 0.05 95.75 3.78 0.08 0.03 0.01 0.00 0.08 0.27 73 S C C 57.86 3.00 23.38 25.12 119.75 -126.31 -81.93 155.15 99.77 0.16 0.08 99.54 0.25 0.04 0.04 0.00 0.00 0.04 0.09 74 Y H H 66.81 19.11 13.14 31.37 92.15 -116.92 -59.02 -38.68 2.05 0.00 97.94 0.44 0.28 1.05 97.80 0.43 0.00 0.00 0.00 75 S H H 74.68 2.84 20.83 23.99 91.21 56.26 -63.24 -39.48 0.73 0.00 99.27 0.08 0.05 0.48 98.86 0.53 0.00 0.00 0.00 76 R H H 118.04 5.42 21.83 27.63 91.90 49.79 -65.93 -40.23 0.22 0.00 99.78 0.03 0.01 0.13 99.41 0.43 0.00 0.00 0.00 77 L H H 5.70 23.97 16.05 40.07 91.63 49.66 -64.24 -43.53 0.26 0.00 99.74 0.03 0.01 0.15 99.62 0.19 0.00 0.00 0.00 78 I H H 39.21 15.10 20.75 35.61 91.89 49.31 -63.85 -42.63 0.35 0.00 99.65 0.03 0.02 0.22 99.67 0.06 0.00 0.00 0.00 79 A H H 51.74 2.86 24.40 26.26 91.30 50.87 -63.08 -42.33 0.32 0.00 99.68 0.03 0.01 0.20 99.68 0.07 0.00 0.00 0.00 80 G H H 9.29 13.01 19.15 33.60 91.86 51.01 -63.88 -42.20 0.62 0.00 99.38 0.04 0.03 0.43 99.32 0.17 0.00 0.00 0.00 81 L H H 9.01 22.12 14.86 37.00 92.03 50.39 -64.29 -41.86 0.87 0.00 99.13 0.09 0.06 0.59 98.81 0.44 0.00 0.00 0.00 82 K H H 127.17 4.29 19.54 25.04 91.49 50.84 -63.31 -40.26 1.94 0.00 98.05 0.16 0.11 1.47 97.49 0.75 0.00 0.00 0.00 83 K H H 140.30 2.24 18.83 21.19 91.03 52.15 -65.39 -31.67 9.12 0.01 90.87 0.29 0.37 8.45 90.07 0.80 0.01 0.00 0.00 84 A C T 28.20 14.29 13.02 27.96 94.12 50.86 -87.40 -1.66 82.24 0.04 17.72 0.84 2.34 78.03 17.84 0.88 0.00 0.01 0.05 85 A C T 92.68 1.56 20.31 21.28 93.92 -119.71 60.99 37.12 98.91 0.03 1.07 3.57 1.87 93.69 0.64 0.20 0.00 0.01 0.01 86 I C C 26.22 19.84 10.29 29.54 115.29 149.67 -99.99 125.04 97.44 1.80 0.76 94.00 2.70 0.99 0.30 0.33 0.00 1.15 0.52 87 E C C 140.87 2.05 22.90 24.46 109.88 -141.45 -91.45 117.01 95.12 4.41 0.47 91.47 3.19 0.89 0.19 0.21 0.00 3.10 0.95 88 I C C 21.89 22.58 10.02 31.51 125.94 166.39 -121.92 143.43 94.27 5.56 0.17 86.51 8.46 0.17 0.11 0.05 0.00 2.70 1.99 89 D C C 78.11 3.68 22.99 25.85 118.55 -116.78 -77.46 154.96 99.21 0.63 0.16 98.91 0.48 0.07 0.10 0.01 0.00 0.27 0.15 90 R H H 104.94 15.10 14.57 29.17 91.87 -115.10 -60.00 -37.37 1.31 0.00 98.69 0.18 0.16 0.71 98.76 0.17 0.00 0.00 0.00 91 K H H 122.98 4.68 20.88 26.33 91.76 54.81 -63.69 -40.74 0.61 0.00 99.39 0.05 0.04 0.42 99.27 0.21 0.00 0.00 0.00 92 V H H 40.03 11.00 20.93 32.64 92.04 48.93 -65.36 -42.10 0.35 0.00 99.65 0.04 0.02 0.23 99.50 0.22 0.00 0.00 0.00 93 L H H 7.71 22.98 18.67 41.43 91.43 49.73 -63.39 -43.17 0.12 0.00 99.88 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 94 A H H 15.13 16.09 20.80 37.30 91.33 51.21 -63.08 -42.22 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 95 D H H 66.75 5.74 25.95 32.09 91.65 50.29 -64.46 -41.27 0.39 0.00 99.61 0.02 0.01 0.27 99.64 0.05 0.00 0.00 0.00 96 L H H 17.95 16.07 21.21 37.76 91.64 50.45 -64.40 -41.82 0.42 0.00 99.58 0.03 0.02 0.29 99.54 0.12 0.00 0.00 0.00 97 A H H 7.71 21.43 17.49 38.87 91.77 52.00 -65.26 -36.82 1.14 0.00 98.86 0.10 0.06 0.85 98.60 0.39 0.00 0.00 0.00 98 V H H 66.89 10.78 20.59 31.23 94.88 48.75 -73.61 -34.12 6.38 0.00 93.62 0.10 0.18 6.27 92.90 0.55 0.00 0.00 0.00 99 N H H 95.52 4.50 20.31 25.20 100.27 32.81 -95.90 -22.32 16.33 0.02 83.65 0.30 1.21 14.50 83.54 0.41 0.01 0.00 0.01 100 E C C 77.22 10.01 16.55 27.19 112.98 22.18 -135.86 85.14 97.89 0.18 1.93 88.29 7.12 2.19 2.00 0.20 0.00 0.05 0.15 101 K H H 95.03 13.56 14.86 28.47 93.73 171.31 -61.71 -37.84 1.98 0.00 98.02 0.27 0.16 1.32 96.85 1.40 0.00 0.00 0.00 102 A H H 68.89 3.09 23.09 25.96 91.56 54.84 -63.95 -39.54 0.89 0.00 99.11 0.05 0.04 0.71 97.86 1.34 0.00 0.00 0.00 103 A H H 19.52 12.74 19.91 33.67 91.72 50.81 -64.87 -41.45 0.32 0.00 99.68 0.03 0.02 0.22 98.55 1.19 0.00 0.00 0.00 104 F H H 7.10 24.45 17.42 41.84 91.55 50.31 -63.71 -42.83 0.26 0.00 99.74 0.03 0.01 0.17 99.48 0.30 0.00 0.00 0.00 105 T H H 50.14 9.59 23.98 33.77 91.50 50.94 -63.52 -41.70 0.23 0.00 99.77 0.03 0.01 0.15 99.76 0.06 0.00 0.00 0.00 106 A H H 41.53 4.88 24.98 30.17 91.35 51.33 -63.33 -42.61 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 107 I H H 10.98 20.04 21.09 41.02 91.45 49.10 -64.21 -43.44 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 108 V H H 15.08 20.55 19.71 39.96 91.51 49.99 -63.27 -42.90 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 109 E H H 108.65 3.40 25.01 28.15 91.43 50.33 -63.50 -41.81 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 110 K H H 100.10 5.20 23.55 28.80 91.85 49.00 -65.27 -40.93 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 111 A H H 6.93 20.25 14.96 35.65 91.73 50.30 -64.50 -41.72 0.55 0.00 99.45 0.06 0.03 0.36 99.43 0.13 0.00 0.00 0.00 112 K H H 95.12 10.35 18.35 28.92 91.60 52.01 -63.27 -40.55 1.54 0.00 98.46 0.17 0.10 1.08 98.08 0.57 0.00 0.00 0.00 113 A H H 74.09 1.67 19.06 19.58 92.24 51.66 -65.52 -37.19 5.34 0.00 94.65 0.35 0.28 4.38 93.44 1.54 0.00 0.00 0.00 114 S H H 60.43 6.61 14.96 22.79 92.93 51.80 -72.66 -25.88 18.03 0.02 81.95 1.11 0.94 15.28 81.07 1.58 0.01 0.01 0.01 115 L H H 60.49 13.56 10.14 23.45 98.20 54.30 -83.87 -10.63 44.17 0.22 55.61 16.96 1.77 24.23 55.27 1.53 0.00 0.07 0.17 116 A C C 79.27 3.51 15.12 19.91 103.81 113.84 -68.56 77.65 99.94 0.01 0.04 99.83 0.06 0.08 0.03 0.00 0.00 0.00 0.00