# 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 T C C 81.54 6.93 14.10 22.23 118.70 126.49 -107.66 142.56 99.94 0.06 0.00 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.00 1 S C C 74.62 4.85 14.01 20.45 115.09 -144.15 -97.63 132.49 92.76 6.33 0.91 90.35 1.25 1.66 0.34 0.33 0.00 4.45 1.61 2 V C C 64.33 13.03 10.59 23.75 117.23 -149.79 -98.06 130.12 88.43 10.84 0.73 73.39 13.14 1.77 0.27 0.47 0.00 8.19 2.77 3 K C C 116.52 5.83 17.51 24.65 120.70 -157.88 -104.04 137.79 89.48 10.21 0.31 78.07 10.91 0.60 0.11 0.21 0.00 8.42 1.69 4 P C C 55.60 14.27 13.94 28.05 113.30 -106.04 -66.16 145.75 88.31 9.29 2.40 81.60 4.64 2.23 0.66 1.62 0.00 7.00 2.25 5 I C C 80.72 11.63 16.59 28.33 99.44 -136.12 -79.02 -22.57 89.60 3.88 6.52 43.70 33.32 12.93 1.12 5.42 0.00 2.24 1.26 6 F C C 102.55 10.63 17.33 27.93 110.41 46.66 -99.45 76.06 87.69 5.94 6.38 45.43 29.92 12.53 1.29 5.24 0.01 3.12 2.45 7 S C C 29.10 15.45 11.54 26.77 118.84 133.23 -100.57 138.20 93.23 4.28 2.49 85.57 5.48 2.26 0.80 1.50 0.00 2.24 2.15 8 R C S 168.39 3.46 16.11 20.68 96.46 -161.28 -82.57 -15.44 98.22 0.55 1.22 29.89 64.58 3.89 0.67 0.41 0.00 0.21 0.34 9 D C C 81.52 4.17 17.25 22.29 109.37 82.25 -93.88 107.58 98.05 0.46 1.48 59.12 35.74 3.20 0.96 0.45 0.00 0.14 0.40 10 M H H 74.67 15.17 12.01 26.86 93.96 -170.57 -63.56 -36.15 8.53 0.02 91.45 2.70 2.25 3.51 90.28 1.23 0.00 0.01 0.01 11 N H H 107.52 2.10 19.35 21.21 92.07 54.41 -63.98 -40.79 4.58 0.01 95.41 0.77 0.59 2.94 94.36 1.31 0.00 0.00 0.01 12 E H H 80.07 4.07 19.78 24.30 91.79 48.69 -65.35 -40.38 2.29 0.01 97.70 0.61 0.25 1.28 96.54 1.32 0.00 0.00 0.00 13 A H H 5.42 19.98 14.18 34.95 91.45 51.38 -63.18 -43.05 1.13 0.00 98.86 0.34 0.12 0.54 98.51 0.49 0.00 0.00 0.00 14 K H H 68.63 14.30 20.32 34.03 91.36 51.42 -62.47 -41.88 0.67 0.00 99.32 0.16 0.05 0.34 99.30 0.15 0.00 0.00 0.00 15 R H H 129.46 2.54 25.27 26.75 91.59 50.14 -64.20 -41.75 0.30 0.00 99.70 0.05 0.02 0.15 99.70 0.07 0.00 0.00 0.00 16 R H H 73.15 11.76 22.74 34.40 91.88 49.18 -64.73 -41.61 0.26 0.00 99.74 0.04 0.01 0.15 99.73 0.07 0.00 0.00 0.00 17 V H H 3.53 25.24 18.60 44.03 91.23 49.99 -63.77 -43.25 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 18 R H H 84.32 12.52 23.70 35.67 91.44 50.89 -62.63 -41.96 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 19 E H H 93.61 4.37 26.57 30.97 91.58 49.98 -64.30 -41.08 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 20 L H H 10.66 20.21 21.77 41.73 91.40 49.81 -64.16 -43.19 0.14 0.00 99.86 0.00 0.00 0.10 99.86 0.03 0.00 0.00 0.00 21 Y H H 13.76 22.96 21.81 43.96 91.54 50.02 -63.12 -42.74 0.21 0.00 99.79 0.01 0.01 0.15 99.80 0.04 0.00 0.00 0.00 22 R H H 103.31 7.94 25.81 34.11 91.48 51.18 -63.32 -42.12 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 23 A H H 20.87 10.32 23.68 35.25 91.40 50.53 -63.84 -42.31 0.17 0.00 99.83 0.01 0.01 0.13 99.74 0.12 0.00 0.00 0.00 24 W H H 8.19 24.34 20.50 44.51 91.50 49.79 -63.77 -42.56 0.25 0.00 99.75 0.01 0.01 0.20 99.44 0.34 0.00 0.00 0.00 25 Y H H 38.48 19.47 21.74 40.14 91.39 51.00 -64.12 -38.93 0.74 0.00 99.26 0.02 0.02 0.71 97.90 1.34 0.00 0.00 0.00 26 R H H 131.38 4.73 25.64 30.93 91.72 52.39 -69.34 -30.21 11.87 0.00 88.13 0.08 0.15 13.28 84.67 1.82 0.00 0.00 0.00 27 E H H 39.90 15.11 20.64 35.96 96.35 46.08 -91.75 -14.22 31.15 0.01 68.84 0.28 0.54 31.65 65.36 2.16 0.01 0.00 0.01 28 V H H 3.86 26.01 16.55 42.99 91.72 87.96 -59.39 -44.87 4.00 0.01 95.99 0.76 0.53 2.30 94.96 1.45 0.00 0.00 0.00 29 P H H 47.79 10.77 22.36 33.56 91.24 51.89 -63.04 -39.11 1.86 0.00 98.13 0.24 0.10 1.29 97.16 1.21 0.00 0.00 0.00 30 N H H 72.48 5.08 24.48 29.61 91.93 50.12 -65.84 -41.06 0.87 0.00 99.13 0.10 0.06 0.60 98.19 1.04 0.00 0.00 0.00 31 T H H 8.73 18.87 18.44 37.82 92.62 50.50 -64.77 -43.47 0.44 0.00 99.56 0.06 0.04 0.28 99.29 0.33 0.00 0.00 0.00 32 V H H 14.61 17.85 15.93 34.24 91.71 49.96 -63.44 -42.53 0.61 0.00 99.39 0.06 0.04 0.43 98.85 0.62 0.00 0.00 0.00 33 H H H 124.45 2.96 19.67 22.91 92.60 48.55 -65.78 -41.17 1.04 0.00 98.96 0.05 0.04 0.88 98.36 0.67 0.00 0.00 0.00 34 L H H 87.02 6.54 17.80 25.07 92.37 48.95 -67.38 -35.58 4.58 0.00 95.41 0.08 0.15 4.46 94.72 0.57 0.00 0.00 0.00 35 F C T 53.35 14.47 13.38 28.38 97.81 36.16 -100.04 3.83 67.60 0.07 32.32 1.17 3.21 61.31 32.89 1.32 0.01 0.02 0.08 36 Q C T 140.23 2.10 19.72 21.94 94.31 -122.52 57.11 42.41 98.41 0.03 1.56 9.13 1.97 87.56 1.07 0.23 0.00 0.01 0.01 37 L C C 28.00 19.90 8.44 27.02 115.51 175.12 -83.98 139.03 99.15 0.26 0.59 89.81 6.85 2.49 0.29 0.22 0.00 0.09 0.25 38 D C C 125.47 1.02 20.37 19.48 98.85 -137.83 -87.43 30.20 99.68 0.14 0.18 64.02 31.09 4.58 0.05 0.11 0.00 0.07 0.07 39 I C S 47.08 12.92 11.44 25.38 128.57 95.62 -115.86 153.68 98.84 0.79 0.37 44.90 53.54 0.51 0.27 0.08 0.00 0.20 0.52 40 S C C 57.65 2.88 21.44 23.27 118.18 -101.86 -73.10 157.64 98.94 0.56 0.50 98.20 0.73 0.19 0.35 0.05 0.00 0.16 0.33 41 V H H 54.99 16.54 12.04 28.12 91.59 -112.43 -58.13 -39.28 2.57 0.01 97.42 0.62 0.47 1.25 97.30 0.35 0.00 0.00 0.00 42 K H H 140.11 1.99 20.60 22.34 91.82 53.34 -63.49 -40.56 1.39 0.00 98.61 0.19 0.15 0.92 98.42 0.33 0.00 0.00 0.00 43 Q H H 85.46 3.60 21.47 24.84 91.97 48.15 -65.70 -40.83 0.55 0.00 99.45 0.10 0.04 0.33 99.26 0.27 0.00 0.00 0.00 44 G H H 2.56 20.54 14.66 36.09 91.20 50.69 -62.70 -43.72 0.35 0.00 99.65 0.08 0.02 0.18 99.61 0.10 0.00 0.00 0.00 45 R H H 59.97 15.55 19.69 34.77 91.57 50.34 -62.88 -42.07 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 46 D H H 82.52 2.36 24.77 25.66 91.62 50.10 -64.21 -41.95 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 47 K H H 80.50 7.73 22.82 30.91 91.84 49.08 -64.80 -41.57 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 48 V H H 4.38 23.92 16.70 40.87 91.51 49.24 -63.79 -43.43 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 49 R H H 90.51 12.02 21.11 32.86 91.36 51.18 -62.43 -41.64 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 50 E H H 99.29 2.03 23.79 23.82 91.28 50.23 -63.97 -41.88 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 51 M H H 44.95 11.48 19.46 31.83 92.05 49.63 -65.02 -41.58 0.20 0.00 99.80 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 52 F H H 12.43 22.45 13.59 35.83 91.88 50.25 -64.76 -41.44 0.41 0.00 99.59 0.03 0.02 0.27 99.51 0.17 0.00 0.00 0.00 53 K H H 127.27 3.78 19.34 24.07 91.74 51.85 -63.96 -38.45 1.55 0.00 98.45 0.09 0.08 1.26 98.00 0.58 0.00 0.00 0.00 54 K H H 140.17 1.90 19.38 20.69 91.75 52.35 -69.18 -27.86 8.94 0.00 91.06 0.16 0.33 8.78 89.82 0.90 0.01 0.00 0.00 55 N C T 34.50 15.84 12.24 28.30 100.64 43.95 -108.41 19.97 55.44 0.07 44.48 6.13 2.76 45.42 42.98 2.61 0.01 0.02 0.07 56 A C T 57.78 10.57 14.57 26.16 93.05 121.21 -62.97 -26.85 95.32 0.14 4.54 3.69 3.48 88.90 1.89 1.86 0.00 0.06 0.12 57 H C T 136.87 2.61 19.83 22.57 94.21 56.78 -89.87 0.74 97.78 0.07 2.15 4.12 4.49 89.41 0.38 1.53 0.00 0.04 0.04 58 V C C 22.51 19.18 9.30 28.16 109.58 114.34 -78.56 118.70 99.02 0.29 0.70 96.09 2.20 0.84 0.28 0.25 0.00 0.09 0.24 59 T C C 99.19 3.15 18.75 22.96 102.02 167.66 -110.31 -8.24 99.71 0.14 0.14 94.24 4.94 0.52 0.07 0.04 0.00 0.04 0.15 60 D C C 71.71 5.36 17.55 24.33 110.76 96.60 -83.53 119.78 99.43 0.31 0.26 52.61 46.61 0.14 0.24 0.02 0.00 0.04 0.33 61 P H H 59.53 13.51 12.97 27.07 92.33 -149.92 -60.66 -35.00 1.32 0.00 98.68 0.08 0.13 0.99 98.46 0.34 0.00 0.00 0.00 62 R H H 150.22 2.55 19.71 22.45 91.51 56.01 -63.89 -39.54 0.61 0.00 99.39 0.03 0.03 0.50 99.08 0.35 0.00 0.00 0.00 63 V H H 42.62 8.82 18.87 29.03 92.01 48.24 -65.67 -41.93 0.17 0.00 99.83 0.01 0.01 0.12 99.58 0.28 0.00 0.00 0.00 64 V H H 7.25 22.21 15.50 37.99 91.34 50.73 -62.66 -43.69 0.04 0.00 99.96 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 65 D H H 54.97 11.10 21.64 32.80 91.47 51.25 -63.05 -41.15 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 66 L H H 79.09 3.93 24.64 28.26 91.48 50.65 -64.52 -41.34 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 67 L H H 16.55 17.99 20.46 38.49 91.76 49.95 -63.95 -42.75 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 68 V H H 11.48 21.96 20.05 41.56 91.57 49.40 -63.21 -43.16 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 69 I H H 78.02 5.77 24.82 30.56 91.80 49.60 -63.99 -42.69 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 70 K H H 95.73 5.12 25.31 30.45 91.60 48.97 -64.79 -41.09 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 71 G H H 2.86 21.78 17.39 39.60 91.52 51.17 -63.76 -42.77 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 72 K H H 74.06 13.94 22.18 35.26 91.38 51.94 -62.67 -41.66 0.18 0.00 99.82 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 73 M H H 95.01 2.93 24.76 26.72 91.41 50.23 -64.06 -42.05 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 74 E H H 53.69 11.25 21.44 33.19 91.74 49.71 -64.82 -41.16 0.29 0.00 99.71 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 75 L H H 13.20 21.79 16.98 38.63 91.99 50.62 -63.81 -41.98 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.06 0.00 0.00 0.00 76 E H H 93.46 6.50 22.32 29.09 91.63 50.83 -63.83 -41.02 0.33 0.00 99.67 0.03 0.02 0.20 99.67 0.07 0.00 0.00 0.00 77 E H H 86.75 3.80 22.01 25.62 91.72 49.79 -64.86 -41.10 0.96 0.00 99.04 0.08 0.05 0.70 98.96 0.19 0.00 0.00 0.00 78 T H H 16.24 16.54 16.37 33.48 92.76 49.41 -66.08 -41.30 2.75 0.01 97.24 0.27 0.21 2.05 96.96 0.50 0.00 0.00 0.00 79 I H H 45.22 14.23 16.18 30.59 92.96 49.30 -67.22 -39.20 7.94 0.04 92.02 0.82 0.74 6.22 90.73 1.42 0.03 0.01 0.02 80 N H H 104.44 2.45 19.41 21.51 95.13 43.40 -74.80 -33.47 20.74 0.06 79.21 1.11 1.49 17.87 77.56 1.86 0.05 0.02 0.04 81 V H H 78.34 5.03 17.47 23.24 102.49 35.57 -92.54 -35.41 48.02 0.23 51.75 3.09 6.50 37.91 49.50 2.64 0.10 0.08 0.18 82 W C T 78.60 13.92 14.18 27.94 101.85 38.91 -91.62 -20.20 63.87 1.43 34.71 19.16 14.58 30.94 27.85 5.89 0.12 0.56 0.89 83 K C C 95.95 10.40 15.43 26.08 101.79 76.19 -77.33 22.79 73.09 2.18 24.73 38.62 14.34 20.31 17.66 6.78 0.02 0.93 1.34 84 Q C C 72.23 10.59 13.25 24.67 111.99 87.13 -84.40 123.51 79.16 2.19 18.65 56.51 11.96 9.79 14.35 4.86 0.00 0.84 1.69 85 R C T 138.27 5.86 16.92 23.78 97.37 -129.83 -72.41 -25.26 71.37 0.69 27.94 16.53 18.68 36.16 22.76 5.08 0.02 0.29 0.48 86 T C T 47.43 10.25 14.65 25.89 113.04 46.17 -108.11 125.55 67.09 0.59 32.32 17.08 15.31 35.09 26.81 5.01 0.04 0.22 0.45 87 H H H 73.86 9.70 16.60 27.23 95.34 -134.15 -66.04 -34.15 25.34 0.78 73.89 7.54 6.00 13.00 56.88 15.52 0.26 0.37 0.42 88 V H H 46.42 12.56 16.70 29.71 93.16 51.29 -66.70 -38.50 16.09 0.36 83.54 2.93 2.29 9.94 62.39 21.95 0.14 0.22 0.14 89 M H H 53.85 11.88 15.45 28.16 92.55 51.45 -67.40 -34.25 8.21 0.20 91.59 1.49 1.06 4.95 64.04 28.23 0.04 0.13 0.05 90 R H H 112.61 7.06 16.24 24.41 92.22 57.76 -67.31 -31.48 11.31 0.17 88.52 1.76 1.18 7.15 57.22 32.50 0.03 0.11 0.06 91 F H H 95.53 8.47 15.36 24.68 93.02 57.07 -72.55 -28.83 27.04 0.15 72.81 2.03 2.23 20.22 45.47 29.81 0.05 0.08 0.10 92 F H H 83.02 10.79 12.98 24.47 99.97 47.41 -93.06 -6.32 49.35 0.86 49.79 10.75 11.24 27.88 32.95 16.01 0.15 0.34 0.68 93 H C C 103.55 7.04 12.18 20.54 112.97 85.89 -92.90 124.62 88.32 1.14 10.54 55.43 24.45 8.32 7.86 2.60 0.00 0.37 0.97 94 E C C 124.30 4.79 11.88 18.42 108.60 -133.40 -78.97 122.16 91.03 0.83 8.14 75.57 8.75 6.78 4.52 3.39 0.00 0.36 0.64 95 T C C 89.29 5.41 9.93 16.94 107.70 -140.40 -90.34 67.11 92.14 0.91 6.96 69.45 13.46 9.06 3.27 3.64 0.00 0.38 0.74 96 E C C 129.23 3.38 10.59 15.79 113.50 104.69 -92.20 125.79 95.04 0.86 4.10 64.98 24.81 5.18 1.77 2.20 0.00 0.31 0.75 97 A C C 75.33 3.90 10.19 16.09 116.36 -123.84 -87.60 137.67 99.50 0.34 0.16 69.39 29.72 0.44 0.07 0.07 0.00 0.12 0.19 98 P C C 90.54 4.22 11.59 17.67 114.22 -101.22 -67.73 147.88 99.51 0.34 0.15 94.04 5.05 0.45 0.05 0.07 0.00 0.13 0.20 99 R C C 154.17 4.84 11.63 18.52 115.34 -124.38 -87.73 133.54 99.60 0.34 0.06 95.76 3.74 0.12 0.02 0.02 0.00 0.11 0.21 100 P C C 53.14 11.72 8.71 21.07 114.44 -107.07 -67.41 147.72 98.99 0.54 0.46 96.66 1.77 0.68 0.17 0.16 0.00 0.19 0.37 101 K C S 168.65 1.01 14.25 14.99 97.21 -150.28 -85.42 -19.78 99.01 0.30 0.69 45.47 51.69 1.96 0.36 0.21 0.00 0.08 0.24 102 D C C 72.13 4.32 13.60 19.20 125.49 35.11 -122.53 150.82 96.23 1.22 2.54 49.83 44.14 2.05 1.93 0.49 0.00 0.25 1.30 103 F H H 105.26 8.50 12.48 22.30 93.13 -124.04 -62.38 -36.78 10.37 0.07 89.55 2.94 2.44 5.48 86.30 2.72 0.05 0.03 0.05 104 L H H 79.28 6.73 14.51 22.39 92.04 53.24 -64.60 -39.25 5.01 0.02 94.96 0.67 0.55 3.72 91.25 3.77 0.03 0.01 0.01 105 S H H 41.15 4.64 14.48 20.99 91.65 52.10 -64.66 -39.63 1.89 0.02 98.09 0.32 0.22 1.26 93.52 4.65 0.01 0.01 0.00 106 K H H 83.39 6.88 13.92 22.30 92.27 51.85 -65.72 -39.42 1.61 0.02 98.38 0.25 0.19 1.10 93.89 4.56 0.00 0.01 0.00 107 F H H 87.52 8.49 13.68 23.29 93.26 48.77 -68.72 -38.71 4.50 0.04 95.46 0.45 0.43 3.64 91.05 4.38 0.02 0.02 0.01 108 Y H H 131.86 4.61 14.43 19.98 97.09 44.41 -80.51 -28.88 15.61 0.12 84.27 1.40 1.84 12.66 81.24 2.67 0.08 0.05 0.07 109 V C H 91.86 3.48 14.02 18.31 99.36 48.82 -90.00 -6.61 52.43 0.50 47.07 4.99 8.96 37.43 46.16 1.85 0.10 0.16 0.36 110 G C T 41.70 6.92 11.29 19.58 101.82 -114.48 73.61 13.95 93.71 0.87 5.42 29.28 17.99 46.97 3.46 1.46 0.00 0.37 0.46 111 H C C 118.53 4.92 11.05 17.65 108.41 137.00 -90.73 83.71 96.25 2.29 1.46 73.65 17.38 4.88 0.66 0.69 0.00 0.81 1.94 112 D C C 93.67 4.61 10.62 17.06 110.84 89.81 -99.69 110.14 99.69 0.29 0.02 98.48 1.20 0.09 0.01 0.00 0.00 0.12 0.09 113 P C C 88.28 5.73 11.96 19.49 104.06 -150.62 -68.24 40.24 99.97 0.02 0.01 99.80 0.13 0.05 0.00 0.00 0.00 0.01 0.00