# 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 G C C 40.52 8.39 13.81 23.05 119.71 -159.56 -100.30 168.09 99.94 0.05 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.00 1 T C C 95.60 4.50 12.12 18.40 111.61 -136.32 -96.07 116.65 94.53 3.22 2.25 88.39 1.73 4.88 0.77 1.02 0.00 2.14 1.08 2 S C C 76.68 4.37 12.38 18.55 114.26 -147.58 -94.11 128.45 89.50 7.72 2.78 61.64 21.13 6.79 0.89 1.91 0.00 5.24 2.40 3 V C C 71.44 11.40 10.91 22.90 116.75 -148.76 -97.64 130.37 89.48 8.38 2.14 70.83 16.13 2.60 0.87 1.20 0.00 5.63 2.73 4 K C C 114.79 6.18 16.32 23.89 120.05 -151.87 -100.74 138.50 93.12 5.57 1.31 77.50 14.73 1.19 0.63 0.64 0.00 3.67 1.64 5 P C C 58.16 12.89 13.84 26.89 112.25 -104.45 -66.29 145.52 87.15 4.60 8.25 75.82 5.92 5.64 2.22 5.94 0.00 2.96 1.50 6 I C C 87.95 10.55 15.83 26.75 97.15 -129.45 -73.16 -24.95 79.92 2.58 17.50 29.88 24.39 26.46 2.79 14.01 0.01 1.32 1.13 7 F C C 110.06 9.12 16.55 26.03 102.37 50.78 -96.76 11.17 77.69 4.36 17.95 30.65 21.85 26.27 3.02 14.05 0.02 2.19 1.95 8 S C C 29.35 15.06 11.01 25.98 113.81 121.35 -85.96 132.08 90.79 3.68 5.52 79.47 7.67 3.52 1.75 3.65 0.00 1.81 2.14 9 R C S 167.24 3.69 15.89 20.56 96.88 -167.95 -84.21 -14.14 97.35 0.66 1.98 36.13 56.73 4.64 1.11 0.68 0.00 0.23 0.48 10 D C C 81.75 4.14 17.23 22.24 109.24 84.40 -96.65 104.67 97.73 0.44 1.83 66.26 27.92 3.52 1.19 0.57 0.00 0.13 0.41 11 M H H 72.35 15.42 12.01 27.07 94.06 -160.98 -63.79 -35.79 8.42 0.02 91.56 2.90 2.12 3.37 90.40 1.19 0.00 0.01 0.01 12 N H H 106.79 2.19 19.30 21.37 92.03 54.79 -63.61 -40.94 4.40 0.01 95.59 0.73 0.56 2.86 94.49 1.34 0.00 0.00 0.00 13 E H H 83.24 3.79 20.04 24.05 91.73 48.61 -65.31 -40.51 2.35 0.01 97.64 0.62 0.25 1.34 96.43 1.36 0.00 0.00 0.00 14 A H H 5.81 19.45 14.34 34.66 91.48 51.42 -63.18 -42.82 1.24 0.00 98.76 0.40 0.13 0.59 98.33 0.55 0.00 0.00 0.00 15 K H H 67.02 14.49 20.15 34.06 91.43 51.30 -62.43 -41.94 0.71 0.00 99.29 0.17 0.06 0.36 99.24 0.17 0.00 0.00 0.00 16 R H H 128.97 2.56 25.16 26.68 91.43 50.16 -64.08 -41.85 0.28 0.00 99.72 0.05 0.02 0.15 99.71 0.08 0.00 0.00 0.00 17 R H H 76.09 11.27 22.77 34.01 91.79 49.17 -64.82 -41.57 0.23 0.00 99.77 0.04 0.01 0.13 99.76 0.07 0.00 0.00 0.00 18 V H H 3.65 25.14 18.50 43.81 91.22 49.85 -63.85 -43.20 0.21 0.00 99.79 0.03 0.01 0.13 99.79 0.05 0.00 0.00 0.00 19 R H H 83.59 12.83 23.57 35.76 91.46 50.81 -62.54 -41.96 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 20 E H H 95.32 4.34 26.58 30.94 91.66 49.89 -64.47 -41.14 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 21 L H H 11.68 19.86 21.89 41.47 91.41 49.66 -64.19 -43.20 0.12 0.00 99.88 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 22 Y H H 13.05 23.15 21.80 44.16 91.52 50.05 -63.18 -42.60 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 23 R H H 100.48 8.56 25.74 34.58 91.41 51.18 -63.17 -42.12 0.11 0.00 99.89 0.00 0.00 0.08 99.88 0.04 0.00 0.00 0.00 24 A H H 21.32 10.37 23.92 35.49 91.43 50.66 -64.09 -42.26 0.13 0.00 99.87 0.01 0.00 0.10 99.77 0.12 0.00 0.00 0.00 25 W H H 8.19 24.34 20.82 44.78 91.48 49.90 -63.83 -42.54 0.20 0.00 99.80 0.01 0.01 0.16 99.49 0.34 0.00 0.00 0.00 26 Y H H 35.79 19.87 22.05 40.83 91.34 51.10 -64.18 -38.83 0.66 0.00 99.34 0.02 0.02 0.64 97.94 1.39 0.00 0.00 0.00 27 R H H 126.90 5.50 25.74 31.90 91.81 52.81 -69.64 -28.92 12.27 0.00 87.73 0.07 0.15 13.87 84.00 1.89 0.00 0.00 0.00 28 E H H 36.83 15.67 20.73 36.61 96.17 46.74 -92.75 -13.40 35.05 0.01 64.94 0.32 0.56 35.50 61.38 2.23 0.00 0.00 0.01 29 V H H 4.16 25.87 16.80 43.08 91.79 89.03 -59.04 -44.70 4.24 0.01 95.75 0.81 0.55 2.46 94.54 1.62 0.00 0.00 0.00 30 P H H 48.41 10.73 22.62 33.75 91.21 51.75 -63.33 -38.76 2.17 0.00 97.83 0.29 0.12 1.51 96.66 1.42 0.00 0.00 0.00 31 N H H 69.19 5.73 24.35 30.26 92.00 50.27 -66.05 -40.75 1.02 0.00 98.97 0.13 0.08 0.70 97.81 1.28 0.00 0.00 0.00 32 T H H 7.82 19.37 18.17 38.05 92.58 50.72 -64.64 -43.37 0.49 0.00 99.51 0.07 0.05 0.30 99.16 0.42 0.00 0.00 0.00 33 V H H 17.01 17.07 16.17 33.72 91.79 50.09 -63.43 -42.41 0.67 0.00 99.32 0.08 0.05 0.47 98.69 0.71 0.00 0.00 0.00 34 H H H 124.13 2.91 19.74 22.83 92.75 48.13 -66.09 -41.19 1.18 0.00 98.82 0.06 0.05 0.99 98.15 0.75 0.00 0.00 0.00 35 L H H 84.49 7.00 17.73 25.49 92.66 48.29 -68.06 -36.19 5.06 0.00 94.94 0.11 0.19 4.85 94.24 0.61 0.01 0.00 0.00 36 F C T 52.89 14.50 13.30 28.32 98.09 36.56 -99.56 4.50 66.35 0.10 33.55 1.57 3.78 58.87 34.30 1.34 0.01 0.03 0.10 37 Q C T 140.25 2.15 19.43 21.81 94.54 -123.74 56.34 43.11 98.45 0.04 1.51 11.86 2.57 84.26 1.02 0.25 0.00 0.02 0.02 38 L C C 30.51 19.15 8.63 26.59 116.71 172.94 -87.09 141.45 98.91 0.32 0.77 84.26 11.48 3.12 0.39 0.30 0.00 0.11 0.33 39 D C C 126.19 0.98 20.24 19.22 98.58 -136.43 -86.38 32.60 99.64 0.15 0.21 70.52 24.78 4.36 0.06 0.13 0.00 0.07 0.08 40 I C C 46.28 13.50 11.39 25.72 127.74 101.60 -114.74 151.46 98.74 0.76 0.49 62.04 36.08 0.58 0.36 0.11 0.00 0.20 0.63 41 S C C 55.58 3.12 21.66 23.86 119.66 -107.12 -75.82 159.62 99.03 0.43 0.55 98.06 0.89 0.23 0.39 0.05 0.00 0.12 0.26 42 V H H 52.82 16.88 12.39 28.79 91.69 -110.47 -58.63 -39.01 2.70 0.01 97.29 0.62 0.49 1.34 97.19 0.36 0.00 0.00 0.00 43 K H H 139.54 2.00 20.77 22.46 91.90 53.11 -63.57 -40.68 1.41 0.00 98.58 0.20 0.14 0.92 98.40 0.33 0.00 0.00 0.00 44 Q H H 85.10 3.78 21.50 25.13 91.94 48.05 -65.68 -40.86 0.61 0.00 99.38 0.12 0.05 0.36 99.18 0.29 0.00 0.00 0.00 45 G H H 2.40 21.05 14.63 36.52 91.24 50.70 -62.84 -43.68 0.39 0.00 99.61 0.09 0.03 0.20 99.57 0.11 0.00 0.00 0.00 46 R H H 63.34 15.51 19.76 34.72 91.58 50.59 -62.70 -42.19 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.03 0.00 0.00 0.00 47 D H H 83.75 2.33 24.85 25.73 91.53 49.95 -64.30 -41.91 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 48 K H H 78.58 8.02 22.81 31.18 91.79 49.02 -64.91 -41.70 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 49 V H H 4.04 24.19 16.77 41.23 91.41 48.97 -63.77 -43.55 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 50 R H H 88.92 12.40 21.15 33.20 91.40 51.21 -62.36 -41.89 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 51 E H H 101.31 2.02 24.03 24.02 91.42 50.17 -63.90 -41.56 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 52 M H H 44.50 11.54 19.62 32.02 92.03 49.69 -65.01 -41.61 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 53 F H H 11.00 22.86 13.75 36.46 91.89 50.15 -64.68 -41.62 0.45 0.00 99.55 0.04 0.02 0.30 99.48 0.17 0.00 0.00 0.00 54 M H H 107.61 4.91 19.31 25.15 91.79 51.43 -64.34 -38.51 1.57 0.00 98.43 0.10 0.08 1.26 98.00 0.56 0.00 0.00 0.00 55 K H H 140.92 1.85 19.78 20.96 91.78 52.36 -68.70 -28.36 9.73 0.00 90.26 0.17 0.34 9.55 89.04 0.89 0.01 0.00 0.00 56 N C T 35.08 15.70 12.63 28.62 100.68 42.81 -108.90 18.64 54.18 0.07 45.75 4.42 2.57 45.90 44.52 2.50 0.01 0.02 0.06 57 A C T 54.25 11.84 14.49 27.01 93.17 119.71 -63.18 -26.58 94.54 0.16 5.30 3.85 3.74 87.62 2.38 2.22 0.00 0.07 0.13 58 H C T 136.41 2.68 20.25 23.08 94.44 56.71 -90.07 2.19 97.43 0.08 2.49 4.76 4.56 88.31 0.49 1.81 0.00 0.04 0.04 59 V C C 22.00 19.33 9.54 28.62 109.41 116.82 -77.04 119.26 98.97 0.29 0.75 96.16 2.06 0.89 0.30 0.27 0.00 0.09 0.24 60 T C C 97.77 3.46 18.85 23.48 102.02 168.38 -110.39 -7.54 99.69 0.15 0.16 94.19 4.89 0.60 0.07 0.05 0.00 0.04 0.16 61 D C C 70.91 5.53 17.73 24.68 110.62 99.46 -83.44 119.50 99.44 0.31 0.25 51.74 47.49 0.14 0.24 0.02 0.00 0.04 0.33 62 P H H 58.87 13.84 13.14 27.47 92.40 -150.22 -60.76 -35.12 1.15 0.00 98.85 0.08 0.12 0.82 98.72 0.26 0.00 0.00 0.00 63 R H H 148.54 2.76 19.90 22.94 91.56 55.89 -63.73 -39.77 0.49 0.00 99.50 0.02 0.03 0.39 99.29 0.26 0.00 0.00 0.00 64 V H H 42.42 9.06 19.16 29.47 92.05 48.21 -65.63 -41.98 0.13 0.00 99.87 0.01 0.01 0.09 99.68 0.21 0.00 0.00 0.00 65 V H H 6.56 22.48 15.79 38.56 91.34 50.49 -62.75 -43.75 0.03 0.00 99.97 0.00 0.00 0.02 99.94 0.04 0.00 0.00 0.00 66 D H H 50.87 11.83 21.79 33.60 91.43 51.15 -63.03 -41.38 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 77.48 4.18 24.93 28.93 91.57 50.71 -64.45 -41.36 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 68 L H H 15.73 18.21 20.82 39.02 91.71 49.88 -63.97 -42.79 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 69 V H H 9.80 22.54 20.30 42.41 91.51 49.45 -63.28 -43.23 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 70 I H H 75.57 6.45 24.95 31.44 91.84 49.58 -63.88 -42.71 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 71 K H H 95.02 5.28 25.58 30.92 91.61 49.06 -64.88 -41.16 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 72 G H H 2.59 22.13 17.68 40.24 91.31 51.14 -63.68 -42.81 0.21 0.00 99.79 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 73 K H H 69.18 14.85 22.26 36.09 91.39 51.90 -62.56 -41.79 0.22 0.00 99.78 0.01 0.01 0.16 99.78 0.04 0.00 0.00 0.00 74 M H H 95.24 2.95 25.12 27.10 91.45 50.21 -64.09 -41.99 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.04 0.00 0.00 0.00 75 E H H 51.26 11.42 21.68 33.60 91.71 49.82 -64.95 -41.26 0.28 0.00 99.72 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 76 L H H 10.13 22.78 16.88 39.58 91.82 50.89 -63.95 -42.17 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 77 E H H 91.20 7.07 22.26 29.59 91.54 51.02 -63.66 -40.79 0.29 0.00 99.71 0.03 0.02 0.18 99.70 0.07 0.00 0.00 0.00 78 E H H 87.83 3.71 22.27 25.67 91.69 50.03 -65.00 -41.01 0.85 0.00 99.15 0.07 0.05 0.63 99.07 0.17 0.00 0.00 0.00 79 T H H 16.36 16.62 16.43 33.57 92.93 50.02 -66.15 -40.94 2.35 0.00 97.65 0.21 0.18 1.80 97.37 0.43 0.00 0.00 0.00 80 I H H 44.43 15.00 16.01 30.98 93.20 51.15 -66.91 -38.38 6.93 0.03 93.04 0.62 0.59 5.60 91.92 1.20 0.04 0.01 0.02 81 N H H 107.13 2.34 19.61 21.54 95.41 44.99 -74.27 -32.05 20.31 0.04 79.65 0.85 1.28 18.01 78.12 1.66 0.04 0.01 0.03 82 V C H 79.21 4.89 17.63 23.24 101.66 34.92 -94.47 -34.63 50.58 0.18 49.24 2.56 6.15 40.91 47.77 2.33 0.07 0.06 0.15 83 W C T 75.23 14.73 14.06 28.42 100.65 42.94 -90.33 -13.70 63.04 1.54 35.42 20.89 13.93 29.14 27.41 6.94 0.11 0.63 0.94 84 K C C 90.61 10.86 15.55 26.67 99.77 92.82 -75.60 -20.80 71.68 1.74 26.58 35.06 16.27 20.52 19.44 6.95 0.02 0.75 0.98 85 Q C C 78.61 7.97 16.59 25.49 105.16 54.41 -82.61 78.88 73.69 1.33 24.98 52.67 9.57 10.90 20.13 5.34 0.00 0.54 0.84 86 R H H 112.06 10.40 16.15 26.93 94.56 -128.28 -64.67 -36.13 20.50 0.20 79.30 7.96 4.68 9.00 74.84 3.29 0.03 0.08 0.11 87 T H H 56.27 7.90 17.32 26.26 94.43 52.81 -68.87 -35.47 10.93 0.07 89.00 2.62 1.72 6.70 85.74 3.13 0.03 0.03 0.04 88 H H H 63.49 8.88 17.58 27.63 93.56 52.87 -65.62 -39.94 4.86 0.07 95.07 1.30 0.73 2.94 90.23 4.72 0.02 0.05 0.02 89 I H H 36.03 14.55 16.19 31.21 93.12 49.79 -65.65 -42.07 2.91 0.06 97.02 0.65 0.38 1.86 92.06 4.98 0.01 0.05 0.01 90 M H H 59.80 10.63 16.44 28.08 92.48 51.17 -65.75 -38.21 3.21 0.04 96.75 0.48 0.35 2.28 89.19 7.66 0.01 0.03 0.01 91 R H H 122.81 5.12 17.86 23.88 92.40 53.71 -66.60 -35.39 10.70 0.05 89.25 0.72 0.63 8.70 74.61 15.27 0.02 0.03 0.02 92 F H H 80.28 10.45 15.81 26.94 93.21 51.44 -72.39 -32.23 24.11 0.05 75.84 1.11 1.35 20.83 63.80 12.81 0.03 0.02 0.04 93 F H H 69.31 12.80 13.56 26.78 99.85 45.06 -94.58 -4.99 45.47 0.65 53.89 8.61 9.12 28.93 44.69 7.78 0.14 0.24 0.49 94 H C C 102.61 7.17 13.09 21.54 111.92 92.19 -87.29 122.83 85.74 1.37 12.88 53.90 21.42 10.10 10.22 2.83 0.00 0.48 1.06 95 E C C 118.52 5.60 12.12 19.39 109.63 -134.90 -80.54 125.64 90.72 0.86 8.41 76.61 7.58 6.63 5.02 3.14 0.00 0.38 0.64 96 T C C 88.58 5.61 10.27 17.41 104.89 -149.26 -90.21 16.52 91.99 0.86 7.16 67.87 14.10 9.91 3.45 3.62 0.00 0.36 0.68 97 E C C 129.29 3.44 10.72 15.95 113.22 102.11 -92.40 123.29 94.77 0.89 4.34 62.41 26.05 6.32 1.80 2.34 0.00 0.32 0.76 98 A C C 73.18 4.18 10.14 16.30 117.03 -129.75 -88.46 138.82 99.46 0.38 0.16 66.78 32.27 0.47 0.07 0.08 0.00 0.14 0.20 99 P C C 93.69 3.73 11.98 17.48 113.93 -99.83 -67.57 147.76 99.48 0.38 0.15 94.64 4.46 0.42 0.05 0.07 0.00 0.15 0.22 100 R C C 151.11 5.34 11.15 18.58 115.41 -119.53 -86.38 133.11 99.59 0.35 0.06 96.42 3.09 0.12 0.02 0.02 0.00 0.12 0.22 101 P C C 53.26 11.28 8.85 20.93 114.27 -106.50 -67.60 147.97 99.10 0.44 0.46 96.68 1.85 0.70 0.17 0.16 0.00 0.15 0.30 102 T C C 117.08 1.10 13.97 14.96 97.32 -150.40 -86.60 -16.01 98.89 0.30 0.81 50.64 46.11 2.24 0.41 0.26 0.00 0.08 0.26 103 D C C 73.62 4.35 12.64 18.46 123.33 48.53 -116.90 143.26 95.47 1.33 3.20 51.96 40.85 2.44 2.43 0.64 0.00 0.28 1.40 104 F H H 110.86 7.27 11.86 20.71 93.42 -130.13 -62.93 -36.17 14.85 0.15 85.00 4.80 3.72 7.30 78.98 5.00 0.06 0.06 0.09 105 L H H 84.74 5.83 13.72 20.88 92.02 53.93 -64.83 -38.44 7.62 0.05 92.33 1.12 0.90 5.41 85.13 7.36 0.03 0.02 0.02 106 S H H 45.06 4.56 13.54 19.97 91.85 52.82 -65.08 -38.38 3.24 0.03 96.73 0.58 0.39 2.11 87.30 9.58 0.01 0.02 0.01 107 K H H 96.48 6.09 13.56 21.04 92.70 52.33 -66.63 -37.96 3.32 0.03 96.65 0.54 0.40 2.21 87.11 9.70 0.01 0.02 0.01 108 F H H 97.52 7.30 13.30 21.87 94.19 49.52 -70.58 -35.25 9.31 0.09 90.59 1.02 0.98 7.21 82.71 7.94 0.05 0.05 0.04 109 Y H H 133.35 4.39 13.59 19.10 98.36 44.56 -86.49 -18.65 26.52 0.41 73.07 3.81 4.47 19.23 67.97 3.94 0.16 0.17 0.25 110 V C H 90.52 4.06 12.99 18.23 104.23 62.44 -88.53 9.95 59.16 1.16 39.67 11.49 13.27 34.31 37.22 2.47 0.10 0.41 0.73 111 G C T 42.07 6.73 10.93 18.97 106.05 -121.74 64.50 13.40 90.72 1.45 7.83 32.90 21.70 36.82 4.99 2.23 0.00 0.62 0.75 112 H C C 126.80 4.30 10.79 16.79 107.72 104.00 -91.10 75.30 94.31 3.11 2.58 67.09 19.40 7.55 1.19 1.20 0.00 1.17 2.41 113 D C C 96.19 4.18 10.12 16.18 111.21 146.08 -98.25 110.30 99.56 0.41 0.03 98.17 1.41 0.10 0.01 0.01 0.00 0.19 0.12 114 P C C 90.65 5.16 11.52 18.56 104.86 -145.50 -68.05 105.59 99.96 0.03 0.01 99.81 0.12 0.05 0.00 0.00 0.00 0.01 0.00