# 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 V C C 67.67 9.83 12.33 23.08 111.71 -149.53 -86.28 128.40 99.38 0.11 0.52 99.18 0.13 0.09 0.53 0.01 0.00 0.05 0.02 1 R C C 146.89 3.59 11.87 16.86 107.24 -135.04 -84.19 105.35 73.65 1.38 24.97 70.02 1.03 3.02 23.55 1.16 0.00 0.66 0.56 2 Q C C 108.60 4.64 9.85 16.03 109.79 -113.03 -81.59 122.11 58.56 1.16 40.28 46.84 5.88 5.04 38.70 2.54 0.00 0.59 0.41 3 K H H 117.76 3.91 10.96 16.29 104.16 -129.63 -75.93 1.32 42.91 1.10 56.00 34.05 4.80 4.88 51.59 3.73 0.00 0.61 0.34 4 R H H 137.11 3.43 11.76 16.40 96.64 53.17 -69.39 -36.46 27.19 0.92 71.90 19.92 4.27 4.82 65.28 4.91 0.01 0.53 0.27 5 R H H 125.85 4.31 11.87 17.52 95.87 53.48 -68.88 -37.10 24.23 0.78 74.99 17.07 3.75 4.95 68.73 4.80 0.01 0.47 0.23 6 E H H 104.01 4.06 12.38 17.72 95.29 53.54 -69.26 -36.89 24.74 0.77 74.49 17.15 3.98 5.05 69.05 4.09 0.01 0.43 0.24 7 K H H 115.86 3.13 12.83 17.03 94.80 53.58 -69.59 -36.32 28.99 0.83 70.18 19.49 4.64 5.94 66.09 3.12 0.01 0.43 0.28 8 Q H H 101.04 3.59 12.91 17.66 95.29 54.60 -69.96 -34.85 37.37 0.75 61.88 24.83 5.46 7.10 59.33 2.64 0.00 0.37 0.27 9 R H H 121.23 4.99 12.22 18.61 95.65 55.77 -70.55 -33.94 46.94 0.77 52.28 31.27 6.24 8.52 50.66 2.62 0.00 0.35 0.31 10 K C H 116.65 4.01 13.10 18.39 96.13 58.42 -70.19 -34.50 54.62 0.75 44.63 36.94 7.53 8.79 43.26 2.82 0.00 0.33 0.33 11 Q C H 104.08 3.48 13.11 17.78 96.12 58.47 -69.90 -34.88 57.11 0.72 42.17 37.41 9.13 9.49 39.99 3.33 0.00 0.32 0.33 12 S C C 59.05 4.48 12.56 18.50 96.50 55.30 -70.70 -34.34 61.31 0.77 37.92 41.99 8.80 9.53 35.17 3.80 0.00 0.36 0.36 13 L C C 84.50 5.87 11.45 18.91 97.13 57.47 -72.67 -30.59 60.13 0.97 38.90 42.37 8.79 8.44 34.99 4.51 0.00 0.47 0.43 14 K C C 120.85 3.64 12.53 17.52 97.66 61.00 -73.19 -30.46 61.57 1.35 37.09 43.09 9.20 8.74 32.93 4.80 0.00 0.68 0.56 15 R C C 137.09 4.22 12.01 17.67 97.57 60.15 -73.82 -27.45 63.12 1.72 35.16 45.45 9.26 7.95 30.66 5.10 0.00 0.88 0.69 16 V C C 85.28 6.04 10.94 18.38 99.63 60.89 -78.10 -24.69 63.98 1.58 34.44 47.39 9.05 7.13 29.66 5.32 0.00 0.81 0.64 17 E C C 127.31 3.39 12.42 17.13 100.56 62.05 -80.79 -10.94 67.40 1.56 31.04 50.41 7.96 8.40 24.92 6.81 0.00 0.82 0.67 18 K C C 122.73 5.57 11.20 18.30 104.76 76.77 -85.11 42.96 72.31 1.57 26.12 49.39 10.50 11.90 18.36 8.24 0.00 0.81 0.79 19 K C C 127.17 5.13 12.68 19.22 107.35 88.33 -90.25 60.24 79.45 1.84 18.71 52.25 13.79 13.05 12.15 6.82 0.00 0.91 1.03 20 Y C C 98.45 10.82 10.86 22.42 116.35 80.90 -98.08 131.79 89.25 1.95 8.81 59.42 24.31 5.27 6.34 2.40 0.00 0.67 1.58 21 T C C 70.11 5.76 14.80 21.95 117.72 -144.68 -92.55 138.75 96.56 0.28 3.16 82.99 11.71 1.56 3.00 0.44 0.00 0.09 0.20 22 P C H 79.28 7.21 13.70 22.18 102.40 -107.60 -62.21 69.64 54.65 0.27 45.09 13.98 5.44 34.42 40.71 5.14 0.01 0.12 0.17 23 S C H 57.65 8.49 15.01 24.02 97.64 41.53 -64.73 -16.66 51.47 0.30 48.22 13.69 5.49 31.66 44.13 4.70 0.01 0.13 0.19 24 E H H 80.91 7.58 15.43 24.18 96.92 79.60 -69.34 -37.16 22.67 0.42 76.91 15.33 3.65 4.83 72.56 3.26 0.00 0.19 0.17 25 L H H 76.25 5.81 17.66 24.38 93.25 53.18 -65.02 -41.27 4.35 0.08 95.57 2.32 0.65 1.47 94.38 1.12 0.00 0.04 0.02 26 A H H 31.09 10.21 16.85 28.20 92.28 51.29 -64.53 -41.44 2.54 0.06 97.40 1.20 0.32 1.06 96.37 1.01 0.00 0.03 0.01 27 L H H 53.87 9.97 17.28 28.28 92.26 50.84 -64.99 -40.68 1.46 0.02 98.52 0.58 0.17 0.67 97.83 0.73 0.00 0.01 0.00 28 Y H H 108.00 4.23 19.60 24.30 92.02 50.87 -64.66 -41.19 0.90 0.01 99.08 0.31 0.10 0.42 98.84 0.33 0.00 0.00 0.00 29 E H H 75.02 6.54 18.94 26.37 91.97 50.34 -64.70 -41.24 1.13 0.01 98.86 0.32 0.11 0.60 98.64 0.32 0.00 0.01 0.00 30 I H H 37.30 13.43 16.02 30.29 92.33 50.34 -64.89 -41.43 1.29 0.01 98.70 0.31 0.12 0.73 98.45 0.38 0.00 0.01 0.00 31 R H H 113.95 5.72 18.41 24.97 92.02 51.52 -64.12 -40.69 1.90 0.01 98.08 0.41 0.18 1.14 97.40 0.85 0.00 0.01 0.00 32 K H H 111.27 2.92 18.86 21.65 92.30 50.41 -65.35 -39.94 5.08 0.03 94.89 0.69 0.42 3.72 93.49 1.64 0.01 0.01 0.01 33 Y H H 71.56 10.03 14.76 25.99 93.09 49.46 -68.11 -36.90 10.29 0.08 89.62 2.13 1.24 6.83 87.29 2.40 0.03 0.04 0.04 34 Q H H 74.83 11.16 13.60 25.27 93.02 57.45 -66.84 -33.54 25.42 0.23 74.34 5.83 2.96 16.49 71.80 2.67 0.03 0.10 0.12 35 R H H 165.15 1.91 16.79 18.65 94.73 53.12 -76.77 -19.10 46.89 0.38 52.72 7.61 6.68 32.40 49.91 2.97 0.05 0.14 0.24 36 S C C 58.16 5.19 13.75 20.22 108.59 58.30 -93.70 14.18 75.31 0.96 23.73 41.82 14.75 17.99 21.13 3.31 0.00 0.34 0.66 37 T C H 66.39 10.16 12.62 23.18 100.05 41.04 -84.79 -6.86 61.53 0.84 37.64 27.07 15.01 20.32 27.44 9.26 0.02 0.33 0.56 38 D C H 91.94 5.84 15.09 22.12 97.26 101.94 -71.34 -9.37 52.85 0.66 46.49 18.30 12.32 23.07 33.63 11.95 0.04 0.28 0.42 39 L H H 74.56 6.54 15.60 23.34 96.86 90.11 -69.41 -29.73 38.43 0.92 60.66 14.74 7.32 16.58 44.54 15.86 0.05 0.48 0.43 40 L H H 47.49 11.70 15.65 28.14 94.43 58.84 -67.69 -36.29 25.24 1.04 73.72 8.50 4.69 11.55 53.02 21.15 0.07 0.66 0.36 41 I H H 37.72 16.39 14.04 30.19 93.78 56.93 -68.20 -36.09 19.22 0.78 80.00 4.51 3.12 10.33 49.94 31.29 0.07 0.49 0.25 42 S H H 62.76 6.51 17.34 24.74 92.24 58.86 -69.77 -23.87 30.98 0.48 68.54 4.05 3.36 20.58 40.26 31.18 0.08 0.27 0.23 43 K C T 126.09 4.42 18.20 23.24 96.10 55.31 -85.67 -11.49 50.66 0.40 48.94 5.52 6.40 36.92 25.15 25.42 0.07 0.19 0.34 44 I C S 32.91 17.41 11.63 28.81 113.21 92.28 -88.16 125.36 90.83 0.43 8.74 34.03 53.39 2.19 9.30 0.62 0.00 0.08 0.39 45 P H H 67.38 6.12 19.89 26.94 93.96 -143.67 -61.44 -34.57 26.55 0.12 73.33 4.78 2.46 19.02 70.70 2.91 0.02 0.05 0.07 46 F H H 53.60 15.69 18.01 33.27 92.58 54.48 -66.08 -36.24 13.84 0.07 86.10 2.29 1.13 10.22 83.72 2.55 0.02 0.03 0.04 47 A H H 19.67 15.29 17.31 33.04 92.02 55.45 -63.57 -39.83 1.68 0.01 98.31 0.61 0.18 0.77 97.14 1.29 0.00 0.01 0.00 48 R H H 118.26 4.99 22.55 27.82 92.04 51.58 -64.91 -40.39 0.71 0.00 99.28 0.22 0.06 0.35 98.86 0.51 0.00 0.00 0.00 49 L H H 47.63 10.79 21.03 32.28 92.20 50.27 -64.89 -42.31 0.51 0.00 99.49 0.13 0.04 0.26 99.32 0.25 0.00 0.00 0.00 50 V H H 15.41 19.76 18.23 37.80 91.96 50.11 -63.93 -42.87 0.32 0.00 99.68 0.07 0.02 0.16 99.65 0.10 0.00 0.00 0.00 51 K H H 86.54 10.21 21.23 31.54 91.65 51.21 -63.43 -41.61 0.37 0.00 99.63 0.06 0.02 0.22 99.61 0.10 0.00 0.00 0.00 52 E H H 91.20 3.79 23.15 26.53 91.82 49.98 -64.56 -41.72 0.68 0.00 99.32 0.08 0.04 0.45 99.28 0.14 0.00 0.00 0.00 53 V H H 25.24 13.71 19.00 33.57 92.11 49.32 -65.01 -42.48 1.06 0.00 98.94 0.15 0.08 0.68 98.78 0.30 0.00 0.00 0.00 54 T H H 19.21 17.27 15.81 33.25 91.98 51.47 -64.31 -40.19 1.99 0.01 98.00 0.27 0.14 1.36 97.22 1.00 0.00 0.00 0.00 55 D H H 85.98 4.36 19.71 24.63 92.09 51.70 -66.34 -36.06 6.57 0.02 93.42 0.46 0.39 5.51 90.97 2.63 0.01 0.01 0.01 56 E H H 111.50 3.91 19.01 23.13 93.33 49.94 -72.06 -30.12 14.90 0.04 85.07 0.82 1.02 13.08 82.70 2.30 0.03 0.01 0.02 57 F H H 55.91 14.25 13.62 28.10 99.53 47.36 -91.92 -5.58 36.17 0.69 63.14 8.16 7.68 22.48 58.06 2.76 0.15 0.24 0.46 58 T C C 54.23 11.94 12.32 24.79 107.25 88.46 -85.69 98.51 75.26 3.40 21.34 45.62 17.93 10.84 19.37 2.80 0.02 1.19 2.22 59 T C C 70.90 5.61 12.15 19.29 112.30 -150.14 -88.57 148.28 83.09 2.66 14.25 56.39 12.61 13.30 11.23 3.61 0.00 1.15 1.71 60 K C T 159.00 1.73 12.18 14.74 98.08 -104.64 -73.49 -22.55 82.27 0.97 16.77 20.44 21.88 40.62 9.87 6.08 0.01 0.42 0.67 61 D C T 93.88 4.05 10.67 16.15 103.47 57.59 -91.18 47.79 85.30 0.65 14.05 26.75 19.94 39.35 6.93 6.30 0.00 0.28 0.46 62 Q C C 111.62 5.83 10.39 17.77 100.93 131.00 -75.78 -4.32 74.69 1.15 24.16 34.08 19.96 21.16 12.27 11.22 0.01 0.46 0.86 63 D C C 108.79 2.55 13.82 17.21 100.04 77.01 -78.79 -3.61 71.84 1.75 26.40 35.79 16.48 19.91 14.38 11.62 0.01 0.82 0.99 64 L C C 65.07 11.44 11.08 23.17 109.90 96.12 -90.29 110.28 66.20 5.12 28.68 45.34 10.58 9.87 18.40 10.86 0.02 3.09 1.83 65 R C C 124.15 6.69 17.16 24.88 115.35 164.97 -94.50 135.14 62.40 8.67 28.93 47.14 8.31 6.75 22.22 7.20 0.02 6.01 2.34 66 W C C 71.17 17.23 12.94 29.42 110.88 -145.13 -88.04 119.81 59.29 9.76 30.95 46.39 7.47 5.64 26.26 5.05 0.04 6.26 2.90 67 Q C C 84.82 7.30 18.83 26.65 114.26 -148.01 -88.52 146.93 59.72 2.86 37.42 49.75 4.96 4.22 36.43 2.20 0.00 1.68 0.77 68 S H H 58.07 9.12 15.51 25.29 94.61 -116.76 -62.77 -37.89 15.72 0.29 84.00 9.19 2.93 3.82 82.65 1.19 0.00 0.13 0.10 69 M H H 111.62 3.10 19.71 22.70 92.36 53.23 -65.81 -39.17 3.11 0.03 96.85 1.26 0.44 1.32 96.29 0.65 0.00 0.01 0.01 70 A H H 23.69 11.68 16.83 29.86 92.29 51.43 -65.11 -41.48 1.24 0.02 98.74 0.52 0.14 0.54 98.29 0.50 0.00 0.01 0.00 71 I H H 30.03 16.48 16.92 33.57 91.92 49.98 -64.41 -42.09 0.57 0.01 99.43 0.21 0.05 0.25 99.24 0.24 0.00 0.00 0.00 72 M H H 85.95 6.13 21.59 28.11 91.58 50.87 -63.76 -41.36 0.35 0.00 99.64 0.11 0.03 0.17 99.59 0.10 0.00 0.00 0.00 73 A H H 44.66 5.39 21.57 27.50 91.67 50.77 -64.06 -41.84 0.33 0.00 99.67 0.07 0.02 0.18 99.65 0.07 0.00 0.00 0.00 74 L H H 35.29 15.33 19.11 34.51 92.10 49.99 -64.95 -41.44 0.23 0.00 99.77 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 75 Q H H 60.08 13.93 20.09 33.62 91.92 50.93 -63.38 -41.50 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 76 E H H 103.66 3.61 23.70 27.01 91.71 49.83 -64.75 -41.51 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 77 A H H 40.28 7.05 21.55 29.35 91.79 50.09 -64.84 -41.43 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 78 S H H 17.25 16.19 18.30 34.88 91.71 50.62 -64.47 -41.44 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 79 E H H 79.41 9.96 21.14 31.16 91.81 51.48 -63.67 -40.69 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 80 A H H 56.31 3.61 22.53 25.81 91.73 51.16 -64.62 -40.93 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 81 Y H H 86.71 10.39 20.88 31.42 92.10 49.76 -64.97 -41.64 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.03 0.00 0.00 0.00 82 L H H 37.82 16.04 18.89 34.78 91.87 50.08 -64.39 -41.48 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.04 0.00 0.00 0.00 83 V H H 66.19 6.63 21.82 28.80 91.80 50.56 -63.93 -42.06 0.21 0.00 99.79 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 84 G H H 29.38 5.26 21.83 27.68 91.65 50.77 -64.14 -41.28 0.74 0.00 99.26 0.04 0.02 0.58 99.25 0.10 0.00 0.00 0.00 85 L H H 33.95 15.05 19.18 34.40 91.83 50.55 -64.71 -42.15 1.13 0.00 98.87 0.07 0.05 0.85 98.82 0.21 0.00 0.00 0.00 86 L H H 49.20 13.62 19.88 33.41 91.97 50.80 -64.19 -41.55 1.53 0.00 98.47 0.20 0.12 1.00 98.31 0.37 0.00 0.00 0.00 87 E H H 102.59 3.83 23.61 27.26 91.73 50.51 -64.40 -41.37 3.96 0.01 96.02 0.42 0.29 2.83 95.91 0.53 0.01 0.00 0.00 88 H H H 77.09 9.07 22.19 31.50 92.32 48.06 -66.50 -39.98 7.62 0.03 92.35 0.90 0.64 5.42 92.32 0.70 0.01 0.01 0.01 89 T H H 18.20 18.49 18.37 36.81 92.04 52.00 -64.70 -41.88 5.48 0.03 94.49 1.03 0.62 3.41 94.14 0.76 0.01 0.01 0.01 90 N H H 69.75 9.10 22.51 31.70 91.72 51.69 -63.73 -40.62 6.54 0.05 93.41 1.51 0.64 4.08 92.71 1.00 0.01 0.03 0.02 91 L H H 76.49 4.41 23.84 28.16 91.83 50.19 -64.43 -42.17 3.70 0.06 96.23 0.93 0.44 2.32 94.71 1.53 0.01 0.04 0.02 92 L H H 26.24 13.20 18.88 33.21 91.95 50.38 -64.40 -41.95 2.62 0.09 97.28 0.61 0.34 1.69 95.01 2.25 0.02 0.06 0.02 93 A H H 16.32 13.76 16.05 31.17 92.03 51.88 -63.91 -41.34 4.25 0.12 95.63 0.92 0.48 2.83 92.81 2.83 0.02 0.08 0.03 94 L H H 91.78 4.03 19.31 23.57 92.33 49.83 -65.52 -40.46 8.77 0.15 91.08 1.30 0.92 6.56 88.75 2.29 0.06 0.09 0.05 95 H H H 113.39 4.46 17.52 22.51 93.00 48.85 -70.12 -30.53 20.26 0.32 79.43 2.98 2.63 15.12 77.17 1.72 0.09 0.14 0.16 96 A C T 36.91 11.87 11.77 24.42 96.26 55.87 -83.09 -6.29 66.35 0.69 32.95 11.33 9.55 43.57 32.80 2.06 0.04 0.26 0.40 97 K C T 167.25 1.43 17.02 18.36 94.81 -126.64 56.50 31.47 86.58 0.44 12.98 15.14 13.69 57.17 11.36 2.17 0.00 0.20 0.27 98 R C C 108.08 7.80 13.04 22.18 127.58 109.51 -121.68 148.62 90.71 1.56 7.73 38.91 29.99 21.98 5.25 2.37 0.00 0.67 0.82 99 I C C 114.45 6.02 14.40 21.86 99.45 -147.31 -89.53 -9.71 92.98 3.03 3.98 46.19 39.31 7.90 2.30 1.57 0.00 1.75 0.97 100 T C C 77.57 3.98 19.97 24.33 126.09 51.17 -119.91 144.90 89.99 7.27 2.75 59.63 25.62 4.98 1.46 1.35 0.00 5.06 1.89 101 I C C 37.04 20.40 10.69 30.18 111.78 -124.07 -89.42 122.15 90.72 7.29 2.00 76.77 12.24 1.35 1.32 0.80 0.00 4.08 3.43 102 M C C 79.47 5.50 19.12 25.18 126.77 -166.37 -102.89 164.48 96.55 1.45 2.00 91.78 4.47 0.25 2.18 0.11 0.00 0.66 0.56 103 K H H 137.12 4.17 15.43 21.30 91.50 -105.01 -57.93 -38.12 1.96 0.00 98.04 0.31 0.24 1.18 97.69 0.57 0.00 0.00 0.00 104 K H H 124.94 2.68 19.36 22.09 91.56 53.73 -64.07 -39.53 0.90 0.00 99.10 0.12 0.07 0.59 98.68 0.54 0.00 0.00 0.00 105 D H H 16.96 17.56 15.06 33.02 91.88 50.29 -65.12 -41.35 0.31 0.00 99.69 0.06 0.02 0.17 99.29 0.45 0.00 0.00 0.00 106 M H H 31.07 15.85 17.15 33.32 91.93 51.14 -63.97 -41.44 0.12 0.00 99.88 0.02 0.00 0.06 99.79 0.12 0.00 0.00 0.00 107 Q H H 94.78 2.64 23.70 25.17 91.38 50.68 -63.43 -42.37 0.16 0.00 99.84 0.02 0.01 0.10 99.80 0.07 0.00 0.00 0.00 108 L H H 40.76 8.98 20.20 30.67 91.86 50.06 -64.08 -42.53 0.22 0.00 99.78 0.02 0.01 0.15 99.73 0.10 0.00 0.00 0.00 109 A H H 6.58 20.55 14.69 35.74 91.55 51.42 -63.04 -42.10 0.42 0.00 99.58 0.04 0.02 0.28 99.47 0.19 0.00 0.00 0.00 110 R H H 117.81 7.06 19.13 27.02 91.52 51.88 -64.18 -39.63 1.32 0.00 98.67 0.14 0.08 0.95 98.13 0.70 0.00 0.00 0.00 111 R H H 154.76 1.80 19.30 20.52 92.14 51.33 -65.85 -38.49 4.19 0.01 95.80 0.39 0.25 3.24 94.66 1.45 0.00 0.00 0.00 112 I H H 58.56 12.56 14.07 27.03 93.65 49.76 -69.52 -34.24 11.57 0.04 88.39 1.58 0.98 8.47 87.59 1.34 0.01 0.02 0.02 113 R H H 109.18 10.80 12.46 23.49 97.53 55.02 -79.31 -14.05 39.96 0.29 59.75 18.41 1.66 19.23 59.32 1.06 0.01 0.08 0.23 114 G C C 48.78 3.97 16.39 21.40 106.67 -133.93 73.91 10.62 99.91 0.02 0.07 99.09 0.23 0.61 0.05 0.01 0.00 0.01 0.00