# 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 92.34 9.59 14.39 24.49 115.41 -161.01 -92.65 129.60 99.83 0.11 0.07 99.79 0.06 0.04 0.04 0.00 0.00 0.05 0.01 1 V C C 84.09 6.46 13.40 21.04 113.04 -159.38 -93.10 126.18 74.26 6.44 19.31 69.88 1.21 3.33 18.18 1.51 0.00 3.67 2.22 2 Y C C 118.03 8.33 12.35 21.58 106.37 -146.08 -83.08 61.25 56.93 7.05 36.02 40.09 7.15 9.12 33.38 3.51 0.03 5.20 1.52 3 G C H 34.80 9.29 13.55 23.45 102.07 61.08 -75.15 -36.63 49.36 6.04 44.60 31.95 8.42 9.46 39.78 4.58 0.04 4.73 1.04 4 K H H 121.86 5.18 14.85 21.04 100.63 55.04 -78.66 -21.53 30.76 8.82 60.43 20.26 5.81 6.81 51.45 6.55 0.08 7.89 1.17 5 L H H 79.19 8.30 13.90 23.19 103.93 53.04 -81.35 -16.21 24.21 12.32 63.47 15.73 4.28 5.71 54.13 6.76 0.09 12.10 1.20 6 I H H 68.00 11.01 13.82 25.34 105.69 57.02 -87.21 19.85 24.91 12.29 62.81 15.62 4.33 6.29 54.00 6.52 0.12 11.85 1.28 7 F H H 93.29 9.84 13.78 24.25 107.12 55.17 -88.20 64.71 31.75 9.20 59.05 18.34 5.90 9.44 50.33 6.44 0.17 7.86 1.51 8 N H H 91.76 6.03 14.71 21.75 102.16 85.15 -82.29 -4.55 47.57 4.03 48.40 20.65 9.15 18.46 42.37 5.41 0.11 2.92 0.93 9 N C H 87.56 6.47 14.11 21.69 102.66 64.89 -90.39 28.78 56.93 3.23 39.84 27.87 9.94 19.64 33.60 5.90 0.05 2.04 0.96 10 I H H 73.69 11.17 10.40 22.01 106.08 113.94 -88.25 61.52 45.20 4.78 50.02 25.02 9.40 11.92 35.21 13.85 0.11 2.99 1.50 11 K H H 126.64 4.92 13.62 19.89 105.11 115.98 -86.24 40.80 44.65 4.55 50.80 20.23 8.92 15.43 30.19 20.79 0.10 3.09 1.26 12 E C H 123.99 4.57 14.23 19.92 105.32 53.72 -85.84 54.53 50.99 4.48 44.52 21.48 10.59 19.15 24.03 20.31 0.13 2.94 1.38 13 Y C C 105.98 10.12 12.26 23.15 111.16 53.90 -97.02 111.62 64.50 4.27 31.23 35.89 15.32 13.89 18.94 11.72 0.05 2.29 1.89 14 T C C 58.83 8.65 14.03 23.95 117.88 -150.21 -99.16 136.17 88.41 1.24 10.35 67.63 17.73 2.39 9.89 1.28 0.00 0.54 0.56 15 P H H 55.88 10.83 12.74 24.57 106.99 -112.76 -66.14 137.03 44.04 0.91 55.06 26.86 5.59 11.68 42.76 12.23 0.01 0.51 0.37 16 S H H 70.05 4.10 15.64 20.60 96.71 -133.66 -68.18 -28.76 28.53 1.11 70.37 8.77 4.56 14.47 50.79 20.20 0.11 0.75 0.36 17 W H H 110.14 8.36 14.32 23.71 95.17 60.10 -71.82 -33.27 17.77 1.63 80.59 5.59 2.83 8.63 56.53 24.66 0.09 1.36 0.31 18 I H H 51.22 14.92 11.20 25.81 96.01 57.98 -73.19 -29.29 16.10 2.48 81.42 6.38 2.69 6.77 55.14 26.50 0.06 2.05 0.41 19 K H H 130.60 4.45 15.39 21.14 94.64 62.63 -73.19 -20.55 34.64 2.08 63.28 7.47 4.76 20.20 43.64 21.52 0.23 1.60 0.59 20 T C H 91.22 3.35 15.15 19.27 98.55 51.17 -92.36 -5.10 50.38 2.10 47.52 7.91 7.58 33.34 33.41 15.24 0.27 1.43 0.81 21 I C S 55.11 13.40 9.34 23.08 115.92 102.22 -85.61 130.69 96.90 1.33 1.78 28.11 67.53 1.31 1.62 0.27 0.00 0.52 0.64 22 P C C 75.53 4.77 14.58 20.73 111.66 -109.87 -66.52 144.12 91.87 2.13 6.00 86.75 3.06 2.67 3.75 1.69 0.00 1.16 0.92 23 Y C C 132.60 8.25 10.82 20.05 108.41 -140.59 -86.45 106.56 61.00 4.24 34.76 34.75 11.39 14.99 15.27 19.30 0.05 2.30 1.96 24 S C C 71.03 4.54 11.75 17.72 111.43 70.00 -96.50 113.91 57.86 5.07 37.07 30.56 10.90 16.96 16.27 20.39 0.07 3.18 1.68 25 Q C C 117.58 4.68 10.80 17.06 100.68 -146.91 -83.26 -4.05 56.87 6.78 36.36 31.85 12.13 13.65 17.03 18.94 0.09 4.36 1.96 26 V C C 95.84 5.04 9.94 16.43 107.63 78.86 -93.19 75.36 65.20 10.65 24.16 37.87 15.29 12.72 16.01 8.02 0.11 7.01 2.96 27 T C C 90.29 4.02 10.90 16.52 111.17 77.02 -93.40 119.33 76.70 10.25 13.04 45.00 23.11 8.98 8.96 4.23 0.05 6.64 3.04 28 K C C 137.73 3.47 11.55 16.78 115.42 -117.45 -95.24 126.18 94.03 4.60 1.38 58.81 34.09 1.63 0.87 0.48 0.00 3.03 1.08 29 P C C 72.97 8.63 9.19 19.02 113.73 -112.01 -69.81 146.02 93.38 2.92 3.70 81.89 7.69 3.99 1.75 1.74 0.00 2.25 0.70 30 I C C 123.43 2.62 12.19 16.30 116.87 -143.08 -100.19 131.56 86.94 8.29 4.77 73.18 8.93 4.45 2.49 2.34 0.00 5.92 2.70 31 L C C 102.81 6.87 8.54 17.01 112.66 -120.32 -79.81 133.39 83.51 10.62 5.86 66.63 10.27 6.29 2.52 3.34 0.00 7.95 3.00 32 R C C 160.68 2.71 10.83 15.25 115.34 -162.07 -99.13 139.06 87.93 7.65 4.43 63.23 16.83 7.95 1.96 2.39 0.00 5.47 2.17 33 K C C 150.48 2.67 10.04 14.46 111.70 -118.02 -85.93 125.97 89.75 6.27 3.98 56.96 27.60 5.48 2.11 1.80 0.00 4.01 2.04 34 Q C C 115.56 4.39 10.48 16.69 116.55 -141.05 -90.71 135.77 93.82 2.04 4.14 72.92 19.02 1.80 3.50 0.88 0.00 1.28 0.61 35 P C C 80.04 6.87 10.36 18.72 109.86 -109.18 -67.01 143.56 81.45 1.83 16.72 71.57 4.33 5.61 13.04 3.69 0.00 1.27 0.50 36 Q C C 120.18 4.01 12.22 17.70 109.13 -131.06 -84.11 126.31 67.26 7.82 24.92 52.22 7.67 6.70 20.50 5.29 0.01 5.71 1.89 37 I C C 91.55 7.87 12.27 21.02 104.48 -151.99 -85.83 24.89 52.29 15.98 31.72 41.05 6.45 4.70 26.96 5.05 0.04 12.51 3.25 38 V C C 73.27 9.61 12.28 22.34 100.22 83.33 -78.00 -33.13 48.52 11.54 39.94 35.19 6.78 6.90 34.10 5.40 0.06 9.67 1.91 39 G C H 42.14 4.13 15.19 20.12 98.19 57.47 -67.45 -43.12 53.22 5.79 40.99 31.70 10.26 12.02 33.63 6.77 0.07 4.32 1.24 40 K H H 118.10 4.24 15.74 20.73 95.57 45.69 -73.49 -32.08 43.39 3.96 52.65 25.79 8.48 10.26 40.23 11.41 0.07 2.64 1.14 41 I H H 51.33 13.49 11.77 25.43 95.17 58.04 -69.95 -33.84 35.59 2.15 62.26 13.99 6.67 14.87 37.62 24.57 0.16 1.28 0.85 42 N H H 81.75 8.04 13.88 22.92 95.56 60.48 -74.32 -17.72 45.73 1.04 53.24 12.77 6.96 25.54 30.09 23.43 0.08 0.57 0.58 43 A C T 80.33 2.66 15.03 18.25 96.18 58.22 -86.31 -3.88 59.91 0.94 39.16 15.53 13.70 31.66 16.15 21.80 0.03 0.42 0.71 44 D C C 53.24 8.82 9.97 20.61 112.85 98.29 -88.87 123.17 99.15 0.30 0.56 73.82 25.02 0.20 0.54 0.06 0.00 0.06 0.29 45 P H H 98.06 2.17 14.50 17.44 92.25 -141.76 -60.57 -34.70 5.54 0.01 94.45 0.69 0.67 3.95 93.92 0.75 0.00 0.00 0.00 46 K H H 115.45 4.13 15.95 20.93 92.36 53.91 -65.66 -39.65 3.90 0.01 96.09 0.31 0.31 3.23 95.40 0.73 0.01 0.00 0.01 47 V H H 26.31 14.23 12.96 28.03 92.73 47.82 -66.84 -41.09 1.45 0.01 98.54 0.21 0.12 1.01 98.13 0.53 0.00 0.00 0.00 48 K H H 91.44 7.45 16.82 25.32 91.87 52.70 -63.35 -41.26 0.31 0.00 99.69 0.08 0.03 0.15 99.61 0.12 0.00 0.00 0.00 49 K H H 115.68 2.61 20.07 22.25 92.01 50.32 -65.31 -41.08 0.23 0.00 99.76 0.04 0.01 0.14 99.76 0.06 0.00 0.00 0.00 50 F H H 64.88 10.27 18.26 29.30 92.29 49.93 -65.16 -42.34 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 51 W H H 60.17 14.00 17.19 31.51 92.19 50.31 -64.59 -41.88 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 52 V H H 70.74 4.24 20.48 24.99 91.73 50.07 -63.74 -42.41 0.20 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 53 F H H 89.72 5.22 19.93 25.75 91.91 49.71 -64.46 -42.60 0.39 0.00 99.61 0.03 0.02 0.29 99.56 0.10 0.00 0.00 0.00 54 L H H 35.13 14.66 16.74 31.92 92.16 49.23 -64.94 -41.82 0.75 0.00 99.25 0.07 0.04 0.54 99.13 0.21 0.00 0.00 0.00 55 R H H 99.09 9.76 18.41 28.52 91.92 51.24 -64.32 -40.09 2.96 0.00 97.03 0.24 0.18 2.39 96.56 0.62 0.01 0.00 0.00 56 E H H 102.95 2.63 20.27 22.16 92.36 49.88 -66.34 -39.70 9.91 0.02 90.06 0.71 0.70 8.40 88.45 1.69 0.02 0.01 0.01 57 N H H 49.43 8.57 16.91 26.84 94.04 48.83 -68.40 -37.40 15.57 0.09 84.34 1.93 1.35 11.96 79.16 5.47 0.04 0.04 0.05 58 V H H 34.25 14.78 12.79 27.88 93.19 53.27 -67.11 -37.25 19.20 0.11 80.69 1.69 1.59 14.69 64.16 17.67 0.07 0.06 0.07 59 Q H H 110.82 4.03 15.82 20.82 92.86 53.78 -69.86 -29.67 34.05 0.08 65.88 1.42 1.82 30.09 49.09 17.45 0.03 0.04 0.06 60 Y H T 159.91 1.93 15.79 17.54 98.40 42.87 -86.26 -26.17 46.84 0.14 53.02 2.11 4.67 39.15 38.81 15.01 0.07 0.06 0.13 61 Y C C 92.19 7.35 12.55 21.65 112.30 26.56 -130.60 86.13 99.22 0.24 0.54 82.78 16.06 0.28 0.50 0.07 0.00 0.06 0.24 62 P H H 70.34 8.99 12.98 23.54 93.86 -170.50 -62.60 -34.07 9.87 0.03 90.11 2.09 0.98 6.48 87.90 2.51 0.01 0.01 0.01 63 F H H 127.90 3.12 17.61 21.22 92.16 57.02 -64.66 -38.80 4.46 0.01 95.52 0.44 0.35 3.58 93.10 2.51 0.01 0.01 0.01 64 L H H 54.19 8.35 17.13 26.76 92.11 50.80 -65.42 -40.80 1.00 0.02 98.99 0.17 0.09 0.66 97.11 1.96 0.00 0.02 0.00 65 W H H 55.06 15.22 15.98 31.42 91.92 50.87 -63.80 -41.83 0.37 0.04 99.59 0.08 0.03 0.21 98.82 0.79 0.00 0.05 0.00 66 Q H H 72.37 9.19 19.42 29.21 92.04 51.10 -64.12 -41.14 0.62 0.03 99.35 0.09 0.04 0.43 98.78 0.61 0.00 0.04 0.00 67 F H H 102.14 5.03 21.47 26.57 92.05 49.51 -65.54 -41.39 1.43 0.07 98.50 0.18 0.09 1.05 98.05 0.55 0.00 0.07 0.01 68 F H H 57.19 12.72 19.56 32.38 92.25 49.26 -65.56 -42.11 2.83 0.19 96.98 0.49 0.25 1.96 96.68 0.42 0.01 0.15 0.05 69 I H H 35.67 15.82 19.21 34.96 91.71 48.70 -64.54 -42.72 3.97 0.44 95.59 0.94 0.40 2.59 95.23 0.40 0.02 0.30 0.12 70 L H H 72.40 7.90 21.85 30.11 92.03 48.69 -64.78 -41.72 4.80 0.51 94.69 1.25 0.62 3.03 94.03 0.54 0.03 0.35 0.14 71 G H H 27.61 7.28 21.63 29.42 92.16 49.50 -65.11 -41.58 7.21 0.36 92.43 1.49 0.87 4.84 91.58 0.81 0.03 0.28 0.10 72 T H H 30.86 13.58 20.33 34.15 92.57 47.99 -67.01 -41.06 10.06 0.45 89.50 2.57 1.31 6.32 88.28 1.03 0.03 0.32 0.14 73 S H H 24.64 13.98 19.59 33.94 92.31 52.31 -64.00 -41.48 9.44 0.58 89.98 2.78 1.27 5.66 88.59 1.11 0.03 0.40 0.16 74 F H H 87.36 7.82 21.66 29.89 92.20 50.54 -64.98 -41.70 4.78 0.39 94.83 1.56 0.68 2.83 93.38 1.15 0.03 0.29 0.08 75 V H H 49.38 9.56 20.27 30.44 92.23 50.72 -64.88 -42.15 3.16 0.27 96.56 0.84 0.40 2.06 94.91 1.48 0.04 0.23 0.04 76 W H H 73.15 12.65 19.54 32.28 92.36 49.55 -65.20 -42.08 2.50 0.16 97.35 0.58 0.29 1.69 95.60 1.65 0.03 0.13 0.02 77 F H H 67.13 11.33 18.52 30.33 92.36 50.29 -65.33 -40.56 2.97 0.11 96.93 0.56 0.34 2.10 94.85 2.01 0.03 0.08 0.02 78 H H H 82.25 8.22 18.22 27.23 92.52 50.81 -66.76 -36.67 6.05 0.09 93.86 0.73 0.56 4.75 90.86 2.96 0.05 0.06 0.03 79 V H H 64.04 8.80 17.56 26.97 95.51 44.63 -75.23 -36.39 10.34 0.11 89.55 0.94 0.99 8.49 86.43 2.98 0.08 0.06 0.05 80 C H H 53.60 9.42 16.50 26.49 100.41 36.69 -90.19 -29.71 23.83 0.28 75.89 2.84 3.14 18.38 72.62 2.62 0.12 0.12 0.17 81 Y H H 106.20 8.64 15.87 25.20 102.40 39.95 -96.74 -8.38 48.45 1.09 50.45 10.77 10.37 28.38 46.68 2.60 0.14 0.42 0.65 82 D C C 53.50 10.06 13.33 24.64 108.79 95.52 -91.19 104.09 76.29 0.78 22.94 55.62 13.79 4.43 24.22 1.29 0.00 0.26 0.39 83 P H H 77.21 5.73 16.35 23.16 94.52 -162.50 -64.87 -30.66 19.96 0.17 79.87 5.71 3.22 11.10 78.06 1.72 0.03 0.07 0.09 84 W H H 120.91 7.14 17.73 25.45 93.39 53.91 -66.52 -40.43 5.38 0.06 94.56 1.01 0.67 3.71 93.36 1.17 0.02 0.03 0.02 85 L H H 45.87 11.87 15.55 28.25 92.74 50.16 -66.47 -39.94 1.56 0.03 98.42 0.44 0.18 0.89 97.60 0.85 0.00 0.02 0.00 86 A H H 40.35 7.06 16.62 25.16 91.98 52.86 -63.96 -41.20 1.06 0.02 98.91 0.30 0.11 0.61 98.36 0.60 0.00 0.02 0.00 87 I H H 81.64 4.08 19.00 23.45 92.33 49.66 -64.86 -42.31 1.03 0.03 98.94 0.23 0.10 0.66 98.53 0.46 0.00 0.02 0.00 88 Y H H 76.48 8.70 16.92 26.93 92.35 48.88 -65.17 -42.30 1.54 0.04 98.43 0.33 0.15 1.00 97.96 0.53 0.01 0.02 0.01 89 Q H H 68.06 10.24 15.82 26.82 92.46 50.36 -64.97 -40.39 3.72 0.04 96.24 0.64 0.37 2.58 95.50 0.87 0.01 0.02 0.01 90 A H H 56.23 4.18 17.15 22.13 92.90 51.17 -65.42 -38.35 9.70 0.04 90.25 1.20 0.96 7.30 89.22 1.26 0.02 0.02 0.02 91 N H H 91.00 3.69 16.78 21.00 93.57 49.07 -73.09 -27.52 23.19 0.16 76.64 4.04 3.26 15.97 74.91 1.62 0.04 0.06 0.11 92 N H H 53.55 10.75 11.74 23.57 98.16 52.01 -87.49 -3.44 49.06 0.55 50.39 20.43 6.09 22.84 47.10 2.96 0.02 0.21 0.36 93 A C T 66.19 6.24 12.62 20.44 94.73 93.74 -67.31 -22.27 64.63 0.50 34.87 14.79 9.06 40.41 30.29 4.89 0.02 0.21 0.32 94 H C T 151.55 1.53 14.45 15.80 98.58 50.12 -88.33 2.49 71.04 0.76 28.21 19.66 11.33 40.11 23.19 4.92 0.01 0.34 0.43 95 R C C 112.17 7.76 10.91 20.05 117.11 100.23 -92.52 147.57 87.16 1.33 11.51 48.18 30.46 8.23 9.47 2.35 0.00 0.52 0.80 96 S C C 55.62 3.65 16.54 20.61 120.39 -118.05 -83.44 163.41 85.62 6.71 7.67 74.46 8.59 1.44 7.90 0.69 0.00 1.65 5.26 97 L H H 85.80 9.86 12.32 23.07 92.42 -106.22 -60.02 -37.91 2.75 0.01 97.24 0.69 0.51 1.36 96.97 0.48 0.00 0.00 0.00 98 E H H 124.13 1.98 17.39 19.17 92.17 53.09 -64.28 -40.73 1.59 0.00 98.40 0.28 0.15 1.00 97.99 0.58 0.00 0.00 0.00 99 T H H 56.73 3.67 17.03 21.58 92.00 49.19 -64.72 -41.32 0.70 0.00 99.30 0.16 0.06 0.40 98.86 0.51 0.00 0.00 0.00 100 A H H 18.94 10.75 13.81 26.72 91.64 51.11 -63.26 -42.27 0.33 0.00 99.67 0.08 0.02 0.16 99.61 0.12 0.00 0.00 0.00 101 L H H 68.22 5.93 17.09 24.37 91.72 49.45 -63.88 -41.71 0.37 0.00 99.63 0.08 0.03 0.19 99.63 0.06 0.00 0.00 0.00 102 T H H 76.21 2.18 19.46 20.69 91.87 49.72 -64.40 -42.22 0.43 0.00 99.57 0.10 0.03 0.22 99.59 0.06 0.00 0.00 0.00 103 K H H 102.49 4.79 18.03 23.49 91.92 49.41 -65.20 -40.99 0.65 0.00 99.35 0.18 0.05 0.32 99.38 0.07 0.00 0.00 0.00 104 E H H 69.58 8.17 15.85 25.27 91.96 50.23 -64.62 -41.15 0.76 0.00 99.24 0.29 0.05 0.33 99.25 0.07 0.00 0.00 0.00 105 K H H 109.97 2.55 18.63 20.86 91.83 50.10 -63.78 -41.51 0.74 0.00 99.26 0.25 0.05 0.35 99.27 0.08 0.00 0.00 0.00 106 A H H 52.48 2.46 17.61 19.93 91.70 50.21 -63.79 -41.25 0.88 0.01 99.11 0.27 0.06 0.45 99.11 0.11 0.00 0.00 0.00 107 H H H 75.44 5.90 15.24 22.66 92.07 50.11 -64.82 -41.06 0.93 0.01 99.06 0.31 0.07 0.44 99.04 0.13 0.00 0.00 0.00 108 K H H 109.90 4.08 16.29 21.20 91.72 51.17 -64.21 -40.75 0.79 0.01 99.19 0.30 0.07 0.35 99.16 0.12 0.00 0.01 0.00 109 K H H 123.64 1.57 17.14 17.77 92.02 50.13 -64.94 -40.97 0.94 0.01 99.04 0.34 0.09 0.42 99.00 0.14 0.00 0.01 0.00 110 K H H 108.68 2.56 16.28 18.96 92.41 49.29 -65.25 -40.90 1.19 0.02 98.79 0.45 0.12 0.53 98.71 0.17 0.00 0.01 0.00 111 L H H 74.47 4.25 14.29 19.83 92.04 50.43 -64.62 -41.54 1.35 0.02 98.64 0.52 0.14 0.59 98.51 0.22 0.00 0.01 0.00 112 A H H 53.65 2.30 14.50 17.31 91.84 50.77 -63.41 -40.96 1.96 0.02 98.02 0.67 0.19 0.93 97.87 0.33 0.00 0.01 0.00 113 E H H 107.01 1.59 14.25 15.51 92.09 50.36 -65.10 -40.32 2.95 0.03 97.03 0.99 0.31 1.44 96.72 0.51 0.00 0.01 0.01 114 Q H H 100.67 2.31 12.39 15.44 92.43 50.47 -66.03 -39.28 4.93 0.04 95.03 1.62 0.56 2.51 94.47 0.81 0.00 0.02 0.01 115 E H H 119.42 2.10 11.33 14.31 92.60 50.82 -66.35 -37.25 10.81 0.06 89.13 2.92 1.18 6.19 88.43 1.23 0.01 0.02 0.03 116 E H H 140.91 1.12 10.49 11.95 93.07 52.54 -69.58 -29.87 25.99 0.15 73.86 5.97 2.76 16.50 73.18 1.44 0.01 0.05 0.09 117 S C H 86.23 1.33 9.16 11.32 96.88 56.07 -78.16 -13.77 55.79 0.19 44.02 22.91 1.38 28.49 45.76 1.28 0.00 0.06 0.13 118 E C C 134.51 2.61 10.43 14.49 101.94 81.40 -79.47 15.80 99.91 0.01 0.07 99.69 0.09 0.15 0.06 0.00 0.00 0.00 0.00