# 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 87.28 8.32 10.83 20.36 118.20 -152.81 -92.50 145.36 99.95 0.04 0.01 99.90 0.06 0.02 0.01 0.00 0.00 0.01 0.01 1 S C C 63.95 2.73 13.14 16.56 115.85 -122.81 -79.18 158.26 88.93 1.37 9.70 86.46 0.69 1.52 9.73 0.35 0.00 0.33 0.92 2 N H H 101.82 5.26 10.29 17.02 94.46 -112.49 -65.80 -33.40 9.67 0.05 90.29 3.91 2.09 3.40 89.92 0.64 0.00 0.01 0.02 3 Q H H 118.76 2.00 12.99 15.54 92.91 53.86 -65.45 -39.55 2.59 0.01 97.40 0.59 0.36 1.42 97.15 0.48 0.00 0.00 0.00 4 A H H 54.69 2.24 13.88 16.63 92.06 50.88 -64.66 -41.25 1.20 0.01 98.79 0.33 0.14 0.61 98.49 0.43 0.00 0.00 0.00 5 L H H 63.09 6.93 12.92 21.49 92.25 50.47 -64.98 -41.64 0.45 0.00 99.55 0.11 0.04 0.22 99.47 0.17 0.00 0.00 0.00 6 Y H H 104.35 6.14 14.73 22.05 91.83 50.28 -64.21 -41.10 0.26 0.00 99.74 0.05 0.02 0.13 99.74 0.06 0.00 0.00 0.00 7 E H H 109.50 1.77 17.90 18.69 91.78 50.51 -64.53 -41.35 0.30 0.00 99.70 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 8 K H H 104.22 3.77 17.34 21.63 91.79 50.03 -65.28 -41.03 0.49 0.00 99.51 0.06 0.03 0.32 99.54 0.06 0.00 0.00 0.00 9 L H H 48.89 11.25 14.83 26.93 92.00 50.00 -64.49 -41.61 0.42 0.00 99.58 0.07 0.03 0.23 99.62 0.05 0.00 0.00 0.00 10 E H H 98.45 3.89 18.71 23.05 91.65 50.72 -64.14 -40.63 0.59 0.00 99.41 0.10 0.03 0.33 99.48 0.06 0.00 0.00 0.00 11 Q H H 104.29 1.88 19.84 20.39 91.98 49.58 -64.98 -41.25 0.87 0.00 99.13 0.11 0.05 0.54 99.23 0.07 0.00 0.00 0.00 12 T H H 43.78 8.99 16.76 26.87 92.08 49.71 -65.07 -41.63 0.74 0.00 99.26 0.12 0.05 0.42 99.34 0.06 0.00 0.00 0.00 13 R H H 90.12 10.31 17.09 27.81 91.72 50.83 -63.27 -41.60 0.40 0.00 99.59 0.08 0.03 0.20 99.65 0.04 0.00 0.00 0.00 14 T H H 77.96 2.32 20.31 21.76 91.79 50.20 -64.31 -41.23 0.37 0.00 99.63 0.06 0.02 0.19 99.68 0.04 0.00 0.00 0.00 15 I H H 83.80 3.73 19.34 23.22 91.83 49.14 -65.05 -41.87 0.23 0.00 99.77 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 16 L H H 48.25 11.54 16.39 28.67 91.95 49.86 -64.53 -41.84 0.19 0.00 99.81 0.02 0.01 0.10 99.84 0.02 0.00 0.00 0.00 17 S H H 48.30 6.85 17.93 25.74 91.53 51.13 -63.84 -40.55 0.29 0.00 99.71 0.04 0.01 0.16 99.76 0.03 0.00 0.00 0.00 18 V H H 85.55 2.14 20.31 21.25 91.96 50.04 -65.37 -41.54 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 19 K H H 89.10 6.15 18.71 25.52 92.05 49.62 -64.88 -41.48 0.21 0.00 99.78 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 20 L H H 47.98 12.40 16.23 29.30 92.16 49.65 -64.70 -40.93 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 21 A H H 47.29 5.44 17.51 24.19 91.33 51.74 -63.13 -40.82 0.23 0.00 99.77 0.03 0.01 0.15 99.73 0.08 0.00 0.00 0.00 22 E H H 110.43 2.08 19.51 20.61 92.10 50.51 -65.34 -40.67 0.65 0.00 99.35 0.05 0.03 0.50 99.17 0.25 0.00 0.00 0.00 23 L H H 59.00 8.57 15.80 25.56 92.27 50.36 -65.28 -41.48 1.13 0.00 98.86 0.09 0.05 0.89 98.44 0.53 0.00 0.00 0.00 24 I H H 59.17 11.38 13.68 25.84 92.16 50.25 -65.46 -37.93 3.97 0.01 96.01 0.42 0.28 3.07 94.66 1.56 0.00 0.00 0.00 25 N H H 114.69 2.25 16.39 19.09 91.91 55.33 -69.36 -24.06 23.14 0.03 76.83 1.24 1.04 20.56 74.87 2.25 0.01 0.01 0.02 26 M H H 126.90 2.49 14.76 17.61 96.21 55.51 -84.93 -12.32 41.78 0.20 58.02 5.63 5.23 30.70 54.98 3.21 0.04 0.07 0.14 27 T C C 50.53 12.70 9.16 21.97 113.60 92.59 -87.21 135.18 65.30 1.56 33.14 34.80 18.59 12.51 27.98 4.64 0.03 0.59 0.86 28 T C C 94.40 3.34 15.31 19.62 112.90 -143.55 -94.47 125.12 74.78 1.71 23.51 55.14 7.32 11.61 18.37 5.80 0.00 0.97 0.79 29 I C C 84.18 10.36 10.59 21.62 110.02 -152.32 -95.49 105.94 67.73 2.08 30.20 48.86 8.34 10.29 18.67 11.69 0.00 1.13 1.02 30 A C C 66.37 5.49 12.60 19.58 108.10 90.02 -85.80 108.17 70.17 1.69 28.14 42.70 12.54 14.72 15.94 12.34 0.01 0.85 0.90 31 D C C 99.72 3.98 12.21 17.64 107.57 54.41 -89.63 95.88 77.21 1.13 21.66 49.49 11.72 15.82 10.29 11.45 0.00 0.55 0.68 32 R C C 139.23 5.79 10.18 17.59 104.37 114.62 -82.20 34.87 82.79 1.13 16.08 46.90 14.65 21.42 8.27 7.50 0.00 0.51 0.74 33 N C C 112.08 2.92 11.54 15.76 104.83 70.39 -83.84 56.76 86.94 1.09 11.98 46.63 16.72 23.88 4.96 6.61 0.00 0.49 0.71 34 D C C 95.59 4.34 9.72 15.71 104.55 75.26 -86.35 41.21 87.03 1.36 11.61 56.87 15.66 14.35 4.51 7.05 0.00 0.62 0.95 35 D C C 105.71 2.85 10.33 14.73 101.64 115.90 -84.28 4.45 84.78 1.47 13.75 42.13 21.54 21.40 5.74 7.57 0.00 0.63 1.00 36 D C C 101.41 3.05 10.16 14.72 105.71 81.97 -87.09 65.19 82.96 1.42 15.61 43.21 19.65 20.40 7.17 7.98 0.00 0.60 1.01 37 E C T 127.24 3.42 10.45 15.45 104.76 118.74 -80.69 46.22 70.90 0.94 28.15 26.62 15.61 29.82 16.07 10.74 0.02 0.38 0.74 38 G C T 43.09 4.19 12.01 17.53 104.19 50.97 -48.69 -26.88 70.90 0.64 28.46 23.15 16.43 32.58 16.51 10.53 0.01 0.26 0.53 39 S C C 69.12 3.59 12.28 17.00 99.69 50.28 -73.23 -26.48 60.22 0.85 38.94 33.21 13.98 13.88 25.46 12.51 0.01 0.34 0.61 40 F H H 122.42 4.35 11.80 17.49 97.30 59.11 -72.28 -30.87 47.78 1.17 51.04 24.37 9.73 14.96 35.74 13.95 0.04 0.54 0.67 41 A C H 63.36 4.49 12.75 18.58 96.08 57.25 -71.39 -31.23 51.26 0.94 47.80 29.55 8.89 13.66 35.57 11.36 0.02 0.44 0.53 42 Q H H 103.70 4.32 12.96 18.53 97.34 60.09 -72.59 -32.75 48.54 0.79 50.67 30.90 9.86 8.97 41.57 7.95 0.01 0.34 0.40 43 E H H 118.14 3.39 14.18 18.60 96.64 57.13 -70.57 -35.38 36.93 0.52 62.55 21.85 7.51 8.77 56.88 4.51 0.01 0.22 0.24 44 N H H 93.12 4.33 14.23 19.60 96.18 53.29 -73.44 -31.67 37.84 0.44 61.72 22.91 6.63 8.70 58.11 3.26 0.00 0.18 0.20 45 S H H 53.64 5.26 14.03 20.60 96.64 60.77 -69.01 -37.16 32.48 0.41 67.11 23.00 4.22 5.49 64.72 2.24 0.00 0.16 0.17 46 E H H 111.97 3.73 16.28 20.74 93.84 51.89 -66.17 -39.30 7.57 0.11 92.31 4.23 1.43 2.41 90.58 1.26 0.00 0.05 0.03 47 L H H 83.65 4.64 16.41 22.06 92.81 51.56 -65.82 -40.24 5.06 0.10 94.84 2.77 0.79 1.85 93.35 1.15 0.00 0.06 0.03 48 A H H 49.11 5.04 16.50 22.69 92.36 51.75 -64.64 -41.05 3.99 0.10 95.90 2.21 0.56 1.49 94.68 0.97 0.00 0.06 0.02 49 V H H 74.60 4.47 17.88 22.92 92.53 49.89 -65.27 -41.32 3.05 0.09 96.86 1.50 0.44 1.25 96.09 0.65 0.00 0.05 0.02 50 A H H 50.65 4.90 17.26 23.13 92.21 50.84 -64.72 -40.95 3.67 0.07 96.26 1.38 0.44 1.81 95.77 0.54 0.01 0.03 0.02 51 T H H 64.65 4.97 17.85 23.58 92.42 49.75 -65.48 -41.24 3.92 0.07 96.01 1.47 0.51 1.95 95.58 0.43 0.00 0.03 0.03 52 T H H 67.78 4.17 18.41 22.91 92.15 50.52 -64.74 -41.32 1.21 0.01 98.78 0.51 0.15 0.47 98.73 0.13 0.00 0.00 0.00 53 S H H 50.11 5.01 17.68 23.56 92.13 51.31 -64.50 -40.98 0.77 0.01 99.22 0.29 0.07 0.35 99.16 0.13 0.00 0.00 0.00 54 V H H 70.88 5.73 17.39 24.12 92.17 50.36 -65.04 -40.84 0.42 0.01 99.58 0.13 0.03 0.21 99.51 0.12 0.00 0.00 0.00 55 M H H 95.63 4.06 18.12 22.55 92.12 51.05 -64.84 -40.90 0.51 0.01 99.47 0.16 0.05 0.27 99.39 0.13 0.00 0.01 0.00 56 M H H 94.81 3.45 18.42 22.07 92.22 50.22 -64.97 -40.96 1.04 0.02 98.94 0.26 0.10 0.62 98.86 0.15 0.00 0.01 0.00 57 V H H 61.55 6.90 16.82 24.75 92.07 50.08 -64.61 -42.00 1.17 0.02 98.81 0.34 0.15 0.65 98.73 0.12 0.00 0.01 0.00 58 N H H 80.29 5.10 17.86 23.78 92.07 50.24 -64.53 -40.84 1.04 0.00 98.95 0.27 0.10 0.58 98.93 0.12 0.00 0.00 0.00 59 N H H 84.95 2.72 19.48 21.64 92.15 49.58 -64.81 -41.43 0.68 0.00 99.31 0.14 0.06 0.41 99.27 0.12 0.00 0.00 0.00 60 Q H H 86.25 4.81 18.64 23.90 92.05 49.63 -65.04 -40.85 0.54 0.00 99.46 0.09 0.04 0.34 99.37 0.15 0.00 0.00 0.00 61 T H H 48.53 8.15 16.71 26.20 92.04 50.45 -64.71 -40.93 0.69 0.00 99.31 0.13 0.05 0.43 99.21 0.17 0.00 0.00 0.00 62 M H H 90.96 3.96 18.98 23.25 91.69 50.86 -64.15 -40.42 0.57 0.00 99.43 0.10 0.04 0.36 99.35 0.15 0.00 0.00 0.00 63 Q H H 94.08 3.09 19.37 22.30 91.97 51.00 -65.02 -40.79 0.76 0.00 99.24 0.13 0.05 0.51 99.16 0.16 0.00 0.00 0.00 64 L H H 69.24 7.31 17.53 25.66 92.03 50.59 -64.68 -41.63 0.84 0.00 99.15 0.16 0.06 0.54 99.08 0.15 0.00 0.00 0.00 65 I H H 76.25 6.20 17.74 24.83 92.03 49.25 -63.97 -42.25 0.57 0.00 99.42 0.14 0.05 0.31 99.41 0.07 0.00 0.00 0.00 66 K H H 115.54 2.50 19.70 21.70 91.71 50.21 -64.29 -41.54 0.57 0.00 99.42 0.12 0.04 0.32 99.45 0.06 0.00 0.00 0.00 67 N H H 73.19 4.43 18.55 23.52 92.03 50.01 -64.85 -41.01 0.62 0.00 99.38 0.09 0.04 0.39 99.41 0.07 0.00 0.00 0.00 68 V H H 55.38 7.91 17.00 26.09 92.02 50.25 -64.61 -41.64 0.34 0.00 99.66 0.04 0.02 0.20 99.68 0.05 0.00 0.00 0.00 69 Q H H 91.76 4.20 18.94 23.50 91.74 50.94 -63.89 -41.05 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 70 D H H 79.02 3.00 19.07 21.98 91.85 49.99 -65.02 -40.89 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 71 L H H 72.20 6.64 17.40 24.91 91.91 50.51 -64.99 -41.34 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 72 L H H 75.63 6.14 17.65 24.79 91.85 50.62 -64.49 -41.00 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 73 I H H 88.62 3.11 19.00 21.93 91.82 50.04 -64.39 -42.09 0.29 0.00 99.71 0.03 0.01 0.19 99.73 0.04 0.00 0.00 0.00 74 L H H 78.56 4.96 18.27 23.78 92.10 49.90 -64.71 -41.88 0.54 0.00 99.46 0.04 0.02 0.39 99.48 0.06 0.00 0.00 0.00 75 T H H 49.06 8.47 17.04 26.67 92.03 50.23 -64.75 -41.68 0.79 0.00 99.21 0.07 0.05 0.57 99.25 0.06 0.00 0.00 0.00 76 R H H 119.11 3.97 19.34 23.51 91.89 50.30 -64.78 -40.57 0.49 0.00 99.51 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 77 S H H 49.25 3.96 18.81 23.28 91.69 50.64 -64.68 -41.20 0.59 0.00 99.41 0.07 0.04 0.37 99.44 0.08 0.00 0.00 0.00 78 I H H 53.75 8.84 16.77 26.90 91.99 50.00 -64.47 -41.99 0.48 0.00 99.52 0.06 0.03 0.29 99.51 0.10 0.00 0.00 0.00 79 K H H 90.63 6.94 17.58 25.50 91.75 51.16 -63.68 -41.20 0.68 0.00 99.32 0.08 0.05 0.45 99.25 0.16 0.00 0.00 0.00 80 E H H 93.75 3.03 17.63 20.73 92.11 50.12 -64.64 -40.92 1.48 0.01 98.51 0.13 0.10 1.18 98.25 0.33 0.01 0.00 0.00 81 K H H 92.10 4.37 15.76 21.15 92.26 49.91 -65.80 -40.91 3.48 0.03 96.49 0.32 0.31 2.84 95.69 0.79 0.03 0.01 0.01 82 W H H 99.37 7.87 12.93 22.13 93.28 49.12 -66.81 -41.11 8.40 0.07 91.53 0.60 0.68 7.31 89.44 1.80 0.10 0.03 0.03 83 L H H 102.67 3.49 13.53 18.12 92.87 48.60 -68.02 -35.48 17.94 0.11 81.95 0.95 1.41 16.01 79.56 1.84 0.13 0.04 0.07 84 L C T 109.79 2.02 12.43 14.94 94.99 45.84 -88.14 -4.07 59.96 0.35 39.69 2.58 6.57 49.49 38.41 2.48 0.09 0.12 0.27 85 N C T 124.36 2.51 11.54 15.68 96.19 -117.60 60.94 28.66 91.47 0.44 8.10 16.70 16.11 58.75 6.02 1.96 0.00 0.20 0.26 86 Q C C 122.37 2.36 11.94 15.48 101.59 124.95 -91.61 6.84 95.87 1.01 3.12 59.81 21.96 14.12 1.33 1.67 0.00 0.45 0.65 87 I C C 72.17 9.67 7.85 18.48 117.45 88.92 -102.03 129.47 98.58 0.89 0.53 60.24 37.52 0.90 0.32 0.18 0.00 0.31 0.52 88 P C C 86.94 3.31 12.73 17.37 112.92 -117.71 -70.00 146.18 98.77 0.41 0.81 92.68 4.82 1.43 0.33 0.34 0.00 0.21 0.19 89 V C C 104.56 4.69 9.33 16.01 113.50 -137.82 -94.70 125.56 93.08 2.04 4.88 77.77 10.97 4.26 2.42 2.37 0.00 1.00 1.21 90 T C C 92.30 3.45 9.34 14.70 115.88 -157.96 -100.36 131.50 90.47 2.35 7.18 73.81 10.50 6.08 3.78 3.35 0.00 1.29 1.19 91 E C C 135.90 2.97 8.87 13.68 112.09 -154.05 -92.55 125.64 86.65 1.80 11.54 64.62 12.76 9.12 6.62 5.00 0.00 0.99 0.90 92 H C C 139.87 2.85 8.87 13.37 109.20 -157.33 -94.60 118.58 82.83 1.17 16.01 56.54 14.62 11.64 9.28 6.70 0.00 0.59 0.64 93 S C C 78.61 3.03 8.96 13.52 108.47 72.60 -89.87 108.09 80.84 0.90 18.26 51.52 15.95 13.47 9.95 8.16 0.00 0.44 0.51 94 K C C 144.89 2.73 9.73 13.95 105.47 60.64 -84.97 71.17 80.51 1.07 18.42 56.16 13.04 11.18 10.88 7.62 0.00 0.55 0.57 95 V C C 93.60 4.96 8.81 15.45 112.94 75.38 -93.87 124.44 81.89 1.26 16.86 65.32 10.58 5.96 11.66 5.20 0.00 0.67 0.60 96 T C C 89.49 4.14 10.12 15.97 111.06 -156.70 -93.82 118.32 83.55 1.37 15.08 70.15 6.79 6.66 10.68 4.38 0.00 0.85 0.48 97 R C C 165.29 2.48 11.87 15.70 111.26 -134.05 -90.15 119.81 82.03 1.71 16.26 64.48 9.00 8.11 12.71 4.02 0.00 1.01 0.66 98 F C C 100.36 8.78 8.70 18.54 117.64 -159.38 -96.96 136.38 83.59 1.34 15.07 64.68 13.22 4.61 14.18 2.09 0.00 0.63 0.60 99 D C C 85.22 3.59 13.28 18.04 108.38 -133.42 -86.83 110.42 86.04 0.58 13.38 78.33 3.68 3.01 13.47 1.01 0.00 0.25 0.24 100 E H H 107.31 6.28 11.23 19.09 94.25 -162.86 -64.89 -35.49 6.43 0.04 93.53 3.48 1.00 1.90 92.86 0.74 0.00 0.01 0.01 101 K H H 137.42 1.36 15.10 15.89 92.58 53.73 -64.97 -40.17 2.60 0.01 97.39 0.83 0.34 1.26 96.91 0.65 0.00 0.01 0.00 102 Q H H 92.18 3.33 15.15 19.27 92.28 49.81 -65.79 -39.98 1.48 0.02 98.50 0.60 0.17 0.66 97.91 0.64 0.00 0.01 0.00 103 I H H 50.07 9.63 12.87 24.03 92.28 50.40 -64.63 -41.94 0.63 0.00 99.36 0.23 0.06 0.26 99.20 0.24 0.00 0.00 0.00 104 E H H 91.71 4.47 16.31 21.85 91.68 51.25 -63.61 -41.12 0.42 0.00 99.57 0.12 0.04 0.19 99.56 0.10 0.00 0.00 0.00 105 E H H 109.66 1.84 18.56 19.30 92.10 50.17 -64.99 -41.26 0.44 0.00 99.56 0.10 0.03 0.23 99.56 0.09 0.00 0.00 0.00 106 L H H 71.54 5.28 16.90 23.33 91.92 50.40 -64.48 -42.24 0.43 0.00 99.57 0.09 0.03 0.23 99.56 0.09 0.00 0.00 0.00 107 L H H 57.72 9.38 15.57 26.04 92.22 50.17 -64.14 -41.54 0.42 0.00 99.58 0.08 0.03 0.21 99.59 0.08 0.00 0.00 0.00 108 D H H 78.75 3.60 18.28 22.28 91.82 50.57 -63.97 -40.84 0.64 0.00 99.36 0.11 0.04 0.35 99.39 0.10 0.00 0.00 0.00 109 N H H 87.15 2.31 18.96 20.56 92.11 50.19 -65.28 -41.04 1.18 0.00 98.81 0.16 0.08 0.76 98.81 0.18 0.00 0.00 0.00 110 C H H 43.76 7.03 15.58 24.24 92.15 50.48 -64.61 -42.06 1.86 0.01 98.13 0.35 0.17 1.15 97.99 0.33 0.00 0.00 0.00 111 I H H 64.03 7.68 14.66 23.79 92.09 50.26 -64.20 -41.49 2.74 0.04 97.22 0.66 0.35 1.69 96.49 0.77 0.01 0.02 0.01 112 E H H 115.86 2.22 16.12 18.34 92.20 51.03 -65.42 -39.31 4.80 0.05 95.15 0.79 0.48 3.51 93.93 1.22 0.02 0.03 0.02 113 T H H 82.22 2.42 15.62 18.13 93.74 48.32 -69.40 -39.03 9.77 0.05 90.18 0.82 0.81 8.19 88.80 1.30 0.04 0.02 0.02 114 F H H 102.31 5.94 13.37 20.42 97.78 38.99 -78.77 -38.48 22.41 0.16 77.43 1.70 2.56 18.35 75.74 1.37 0.12 0.06 0.10 115 V H H 78.56 5.35 12.12 18.87 100.13 35.89 -88.56 -24.72 42.94 1.19 55.87 6.97 9.76 27.19 52.72 1.95 0.27 0.43 0.73 116 A C H 69.39 3.49 10.42 15.39 100.55 59.20 -77.24 -12.32 64.66 1.66 33.68 27.96 14.46 22.94 29.38 3.70 0.03 0.72 0.82 117 E C C 129.10 2.86 9.64 14.13 105.30 76.18 -80.34 101.03 76.64 1.79 21.57 43.13 15.47 18.04 16.93 4.73 0.01 0.88 0.81 118 K C C 149.24 2.39 9.12 13.23 106.25 60.65 -86.93 79.87 87.81 1.54 10.65 76.15 2.28 9.72 8.24 2.01 0.00 0.88 0.72 119 T C C 95.08 3.72 9.75 15.33 108.79 66.91 -92.99 97.51 99.94 0.04 0.02 99.86 0.06 0.04 0.01 0.00 0.00 0.02 0.01