# 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 N C C 96.48 4.51 10.85 16.87 107.37 -145.37 -90.15 99.74 99.88 0.04 0.09 99.73 0.11 0.09 0.05 0.00 0.00 0.01 0.01 1 R C C 160.25 2.60 9.09 13.17 98.99 150.96 -78.22 -14.65 53.68 0.43 45.89 41.73 2.32 10.48 37.88 7.13 0.00 0.21 0.26 2 Q H H 126.46 1.88 8.84 11.97 98.50 71.92 -74.76 -21.77 46.63 0.84 52.53 25.81 8.54 13.29 39.86 11.64 0.02 0.40 0.45 3 I H H 116.63 2.38 8.59 12.35 97.10 59.29 -74.67 -25.59 40.72 1.15 58.13 23.03 8.29 10.35 43.76 13.45 0.02 0.60 0.50 4 L H H 117.61 2.19 8.64 12.20 97.97 54.90 -80.35 -15.92 46.38 1.11 52.51 28.22 9.51 9.87 41.60 9.73 0.02 0.53 0.53 5 T C C 90.65 2.90 8.69 13.15 102.54 64.94 -84.93 1.89 63.18 0.91 35.91 42.77 9.77 11.04 29.83 5.65 0.00 0.39 0.53 6 R C C 170.71 1.85 8.98 12.21 107.56 84.52 -83.62 90.50 80.44 0.58 18.98 56.23 11.41 12.42 15.77 3.54 0.00 0.24 0.39 7 G C C 53.74 2.55 8.72 12.89 113.19 -105.19 -87.57 157.37 92.25 0.30 7.44 75.55 8.08 8.64 5.61 1.80 0.00 0.14 0.20 8 K C C 156.54 1.77 8.55 11.73 112.63 -98.16 -93.11 123.68 90.42 0.65 8.93 80.67 5.41 4.60 6.49 2.16 0.00 0.30 0.36 9 Q C C 130.70 2.53 7.57 11.98 112.79 -141.47 -92.01 130.50 83.08 1.33 15.59 72.61 5.59 5.29 11.15 4.02 0.00 0.67 0.67 10 S C C 82.17 2.78 7.84 12.50 113.79 -141.09 -90.73 134.09 79.90 1.70 18.40 66.98 6.72 6.47 12.83 5.31 0.00 0.93 0.77 11 K C C 150.37 2.18 8.18 12.12 114.09 -145.76 -92.45 128.95 78.83 2.35 18.82 62.82 8.54 7.40 13.25 5.65 0.00 1.34 1.01 12 K C C 152.15 2.18 8.37 12.27 111.68 -152.15 -91.91 119.72 81.37 2.34 16.29 62.13 10.67 8.23 12.03 4.61 0.00 1.31 1.03 13 F C C 153.93 2.62 7.60 12.05 113.71 -156.99 -97.65 127.70 85.41 1.93 12.65 59.52 14.35 11.32 9.25 3.63 0.00 1.03 0.91 14 G C C 55.26 2.19 9.17 12.78 112.59 -71.12 -99.71 152.40 89.64 1.64 8.72 57.49 20.67 11.61 5.30 3.33 0.00 0.92 0.68 15 T C C 102.19 2.65 7.84 12.15 110.12 -91.22 -90.58 117.15 82.65 3.66 13.69 61.29 12.71 8.56 7.21 6.62 0.00 2.48 1.13 16 D C C 118.12 1.75 9.11 12.12 105.22 -153.27 -88.16 37.74 78.89 7.06 14.05 51.37 18.55 9.34 6.74 7.19 0.01 5.32 1.49 17 E C C 141.51 2.16 9.00 12.77 115.35 57.46 -101.70 129.76 66.41 19.37 14.22 48.70 11.10 6.57 7.37 7.04 0.02 16.22 2.97 18 V C C 96.48 4.84 7.39 14.11 116.93 -157.10 -102.95 128.56 73.99 19.85 6.16 63.65 6.77 2.72 3.85 2.43 0.00 18.20 2.37 19 T C C 107.02 1.64 11.08 13.87 116.23 -158.76 -105.23 127.28 78.31 17.48 4.21 67.08 7.49 2.99 2.83 1.53 0.00 15.93 2.14 20 F C C 116.88 6.91 7.01 15.35 118.95 -161.46 -100.40 138.06 86.91 10.15 2.93 65.72 19.21 2.11 2.27 0.91 0.00 6.99 2.78 21 D C C 92.37 2.47 11.10 14.76 109.48 -132.39 -88.61 116.61 97.86 0.82 1.31 93.56 3.81 0.67 1.10 0.17 0.00 0.46 0.23 22 K H H 139.23 3.18 10.13 15.31 93.87 -159.43 -64.41 -34.38 12.95 0.14 86.91 4.53 2.65 6.28 81.82 4.57 0.02 0.08 0.06 23 D H H 112.42 0.81 13.16 12.90 92.52 54.68 -65.95 -38.23 9.77 0.11 90.12 2.13 1.42 6.29 83.91 6.12 0.03 0.06 0.04 24 S H H 52.67 3.01 12.01 16.38 93.17 50.25 -66.68 -38.93 7.23 0.13 92.65 2.53 1.10 3.78 85.80 6.67 0.01 0.08 0.04 25 R H H 100.88 5.83 10.60 18.16 92.86 53.35 -65.54 -39.63 5.13 0.10 94.77 2.29 0.81 2.28 90.00 4.52 0.01 0.06 0.03 26 L H H 100.26 2.22 13.33 16.16 92.52 51.61 -65.91 -39.05 6.32 0.12 93.55 2.01 0.88 3.58 88.54 4.86 0.01 0.08 0.03 27 D H H 101.33 1.27 14.47 14.97 93.31 50.15 -68.80 -37.19 10.38 0.15 89.47 2.39 1.30 6.80 84.61 4.72 0.03 0.09 0.06 28 Y H H 128.63 3.28 12.70 16.96 97.34 45.60 -78.54 -35.63 17.15 0.29 82.56 3.98 2.57 11.31 77.06 4.73 0.07 0.15 0.14 29 L H H 89.23 4.39 11.79 17.41 96.71 52.06 -76.99 -26.65 27.93 0.85 71.21 9.43 5.31 15.02 64.88 4.42 0.12 0.42 0.41 30 T H H 81.89 2.67 13.19 16.60 97.01 66.85 -72.63 -29.14 41.74 0.77 57.49 9.26 7.29 26.23 52.71 3.64 0.12 0.34 0.41 31 G C H 40.47 3.18 13.79 17.72 97.74 42.21 -61.60 -18.53 52.79 0.64 46.57 13.56 10.79 29.04 42.62 3.31 0.06 0.25 0.37 32 F H H 107.83 3.83 11.93 17.22 95.49 75.13 -67.02 -35.58 30.70 0.52 68.78 19.68 5.08 6.46 66.20 2.13 0.01 0.20 0.23 33 H H H 119.08 2.10 13.49 16.10 93.40 57.30 -64.61 -40.83 9.63 0.14 90.23 5.60 1.45 2.93 88.72 1.20 0.00 0.06 0.05 34 K H H 132.63 1.31 15.04 15.55 92.44 51.01 -65.52 -40.46 4.28 0.08 95.64 2.09 0.67 1.71 94.45 1.02 0.00 0.04 0.03 35 R H H 123.85 2.35 14.44 17.22 92.15 50.15 -65.20 -40.98 2.49 0.05 97.46 1.24 0.35 0.98 96.65 0.74 0.00 0.03 0.01 36 K H H 105.66 2.74 14.69 18.15 91.93 50.58 -64.22 -40.98 2.09 0.04 97.86 0.98 0.27 0.87 97.33 0.51 0.00 0.02 0.01 37 L H H 87.13 1.97 15.73 17.46 91.70 50.06 -63.89 -41.20 1.76 0.03 98.21 0.73 0.20 0.75 97.95 0.34 0.00 0.02 0.01 38 Q H H 95.06 1.87 15.98 17.41 91.75 50.30 -64.15 -41.17 1.72 0.02 98.25 0.68 0.18 0.74 98.11 0.26 0.00 0.01 0.01 39 R H H 124.11 2.44 15.29 18.07 91.92 50.09 -64.65 -40.87 1.83 0.02 98.15 0.65 0.19 0.84 98.08 0.22 0.00 0.01 0.01 40 Q H H 96.94 2.49 15.36 18.17 91.92 50.01 -64.57 -40.79 1.44 0.01 98.55 0.49 0.15 0.65 98.56 0.15 0.00 0.00 0.00 41 K H H 123.69 1.41 16.87 17.06 91.77 49.84 -64.40 -41.35 1.18 0.01 98.81 0.35 0.11 0.56 98.85 0.12 0.00 0.00 0.00 42 K H H 115.74 1.72 16.58 17.58 91.85 49.38 -64.83 -40.97 1.17 0.00 98.83 0.31 0.10 0.57 98.90 0.12 0.00 0.00 0.00 43 A H H 47.56 3.30 14.39 18.93 91.69 50.46 -63.41 -41.33 0.98 0.00 99.02 0.26 0.08 0.48 99.07 0.11 0.00 0.00 0.00 44 Q H H 100.13 2.01 16.18 17.93 91.86 50.13 -64.21 -40.72 0.79 0.00 99.20 0.19 0.06 0.39 99.26 0.09 0.00 0.00 0.00 45 E H H 104.28 1.63 16.60 17.29 91.75 50.27 -64.20 -41.37 0.74 0.00 99.26 0.17 0.06 0.37 99.32 0.08 0.00 0.00 0.00 46 F H H 113.13 2.08 15.84 17.72 91.82 49.70 -64.82 -41.62 0.58 0.00 99.42 0.13 0.04 0.29 99.46 0.07 0.00 0.00 0.00 47 I H H 84.88 2.64 14.80 18.05 91.85 49.77 -64.47 -41.55 0.52 0.00 99.48 0.12 0.04 0.26 99.52 0.07 0.00 0.00 0.00 48 K H H 117.68 1.69 15.90 17.05 91.65 50.26 -64.01 -41.33 0.51 0.00 99.49 0.11 0.04 0.26 99.53 0.06 0.00 0.00 0.00 49 E H H 106.20 1.66 15.82 16.87 91.74 49.96 -64.45 -41.06 0.49 0.00 99.51 0.09 0.04 0.26 99.56 0.05 0.00 0.00 0.00 50 Q H H 96.82 1.93 15.46 17.19 91.71 50.00 -64.30 -40.91 0.53 0.00 99.47 0.10 0.04 0.28 99.53 0.05 0.00 0.00 0.00 51 E H H 96.75 2.18 15.06 17.45 91.67 50.36 -63.86 -41.25 0.51 0.00 99.48 0.10 0.04 0.27 99.54 0.06 0.00 0.00 0.00 52 R H H 132.75 1.68 15.38 16.63 91.84 50.23 -64.61 -40.56 0.61 0.00 99.39 0.12 0.04 0.32 99.44 0.07 0.00 0.00 0.00 53 L H H 91.76 1.79 15.30 16.75 91.59 50.25 -64.46 -40.84 0.62 0.00 99.38 0.13 0.04 0.32 99.43 0.08 0.00 0.00 0.00 54 R H H 133.75 1.52 15.58 16.41 91.64 50.04 -64.41 -40.68 0.62 0.00 99.37 0.13 0.05 0.31 99.44 0.07 0.00 0.00 0.00 55 K H H 112.05 1.95 15.20 17.02 91.83 50.03 -64.55 -40.83 0.81 0.00 99.18 0.17 0.06 0.42 99.27 0.08 0.00 0.00 0.00 56 I H H 90.92 1.91 15.11 16.88 91.63 49.74 -64.20 -41.70 0.62 0.00 99.38 0.15 0.05 0.30 99.43 0.07 0.00 0.00 0.00 57 E H H 104.95 1.61 15.66 16.63 91.52 49.76 -64.01 -41.41 0.55 0.00 99.45 0.12 0.04 0.27 99.51 0.07 0.00 0.00 0.00 58 E H H 101.68 1.91 15.27 16.98 91.72 49.83 -64.42 -41.38 0.66 0.00 99.34 0.12 0.05 0.35 99.40 0.08 0.00 0.00 0.00 59 R H H 130.57 1.84 15.10 16.77 91.78 50.25 -64.39 -40.74 0.60 0.00 99.40 0.11 0.04 0.32 99.45 0.07 0.00 0.00 0.00 60 Q H H 97.62 1.80 15.11 16.68 91.42 50.60 -64.31 -40.39 0.59 0.00 99.41 0.13 0.05 0.30 99.46 0.07 0.00 0.00 0.00 61 K H H 118.72 1.49 15.70 16.39 91.69 50.25 -64.49 -40.92 0.73 0.00 99.27 0.16 0.06 0.37 99.32 0.09 0.00 0.00 0.00 62 I H H 90.79 1.93 14.90 16.73 91.79 49.74 -64.09 -41.66 0.69 0.00 99.31 0.16 0.05 0.33 99.36 0.08 0.00 0.00 0.00 63 R H H 127.46 1.84 14.93 16.65 91.67 50.41 -64.05 -41.36 0.62 0.00 99.37 0.15 0.05 0.30 99.42 0.08 0.00 0.00 0.00 64 Q H H 98.61 1.69 15.23 16.50 91.45 50.22 -64.09 -40.89 0.76 0.00 99.24 0.15 0.06 0.40 99.31 0.08 0.00 0.00 0.00 65 E H H 108.77 1.54 15.52 16.34 91.58 50.04 -64.31 -40.83 0.88 0.00 99.12 0.19 0.07 0.45 99.20 0.09 0.00 0.00 0.00 66 R H H 129.76 1.91 14.83 16.62 91.75 49.99 -64.47 -40.73 0.70 0.00 99.30 0.16 0.05 0.35 99.36 0.08 0.00 0.00 0.00 67 K H H 116.71 1.83 15.00 16.72 91.55 50.17 -64.42 -40.71 0.58 0.00 99.42 0.15 0.04 0.28 99.47 0.07 0.00 0.00 0.00 68 E H H 106.47 1.60 15.54 16.51 91.59 50.22 -64.23 -41.03 0.52 0.00 99.48 0.12 0.03 0.25 99.52 0.07 0.00 0.00 0.00 69 V H H 81.89 1.84 15.34 16.84 91.63 49.76 -64.26 -41.66 0.52 0.00 99.48 0.13 0.04 0.25 99.52 0.06 0.00 0.00 0.00 70 M H H 96.36 2.27 14.63 17.13 91.96 49.72 -64.06 -41.24 0.33 0.00 99.67 0.07 0.02 0.16 99.69 0.05 0.00 0.00 0.00 71 E H H 104.88 1.82 15.22 16.81 91.63 50.45 -63.88 -41.04 0.32 0.00 99.68 0.06 0.02 0.17 99.71 0.05 0.00 0.00 0.00 72 E H H 110.06 1.52 15.75 16.46 91.68 49.90 -64.36 -40.97 0.42 0.00 99.58 0.06 0.02 0.24 99.61 0.06 0.00 0.00 0.00 73 Q H H 99.62 1.97 15.01 16.88 91.66 49.99 -64.38 -40.97 0.69 0.00 99.31 0.11 0.03 0.41 99.37 0.08 0.00 0.00 0.00 74 L H H 88.65 2.16 14.65 17.03 91.88 50.12 -64.47 -40.79 0.61 0.00 99.39 0.15 0.04 0.31 99.42 0.08 0.00 0.00 0.00 75 K H H 117.99 1.61 15.36 16.46 91.65 50.59 -64.08 -41.24 0.43 0.00 99.57 0.09 0.03 0.21 99.59 0.07 0.00 0.00 0.00 76 T H H 76.09 1.81 15.18 16.66 91.76 49.84 -64.49 -41.09 0.61 0.00 99.39 0.11 0.04 0.34 99.41 0.10 0.00 0.00 0.00 77 F H H 118.12 1.86 14.94 16.60 91.88 49.42 -64.43 -41.27 0.65 0.00 99.35 0.13 0.05 0.35 99.37 0.10 0.00 0.00 0.00 78 K H H 120.41 1.73 15.15 16.61 91.95 50.01 -64.70 -40.43 0.72 0.00 99.28 0.15 0.05 0.38 99.31 0.10 0.00 0.00 0.00 79 E H H 105.75 1.82 15.20 16.76 91.80 50.46 -64.42 -40.99 0.96 0.00 99.04 0.17 0.07 0.56 99.02 0.18 0.00 0.00 0.00 80 S H H 59.20 1.98 14.95 16.89 91.75 50.63 -64.14 -40.81 1.66 0.00 98.33 0.29 0.13 1.00 98.29 0.29 0.00 0.00 0.00 81 L H H 90.46 1.99 14.64 16.66 91.96 50.26 -64.41 -40.50 2.31 0.01 97.69 0.51 0.23 1.28 97.62 0.36 0.00 0.00 0.00 82 N H H 86.52 2.02 14.63 16.78 91.97 51.66 -64.27 -40.33 2.91 0.01 97.08 0.92 0.34 1.42 96.85 0.45 0.00 0.00 0.00 83 L H H 90.26 1.97 14.36 16.45 91.85 50.92 -64.69 -40.70 3.38 0.02 96.60 1.05 0.39 1.73 96.13 0.68 0.00 0.01 0.01 84 K H H 118.00 1.79 14.43 16.09 91.96 50.47 -65.26 -40.28 3.79 0.03 96.19 1.26 0.45 1.88 95.57 0.81 0.00 0.01 0.01 85 F H H 117.61 2.01 13.60 15.88 91.98 49.89 -65.94 -40.11 4.70 0.04 95.25 1.71 0.65 2.31 94.15 1.14 0.01 0.02 0.02 86 R H H 139.50 1.66 13.81 15.45 92.19 51.35 -65.72 -39.34 7.24 0.07 92.69 2.43 0.95 3.82 91.07 1.66 0.01 0.03 0.02 87 Y H H 138.42 1.77 13.25 15.13 93.12 50.21 -66.96 -38.96 10.47 0.11 89.43 3.64 1.52 5.41 87.14 2.18 0.01 0.06 0.04 88 L H H 101.45 2.12 12.61 15.27 94.12 51.38 -68.61 -37.15 17.04 0.20 82.76 7.18 2.87 7.26 80.37 2.13 0.01 0.09 0.09 89 T H H 83.10 2.38 12.09 15.27 96.53 52.88 -75.45 -28.42 31.73 0.33 67.95 16.32 4.63 10.50 66.20 2.05 0.01 0.13 0.15 90 K H H 126.73 2.28 12.21 15.22 99.13 62.74 -72.66 -29.90 41.00 0.34 58.67 20.02 8.10 11.79 57.69 2.10 0.01 0.13 0.17 91 N H H 88.93 2.88 11.60 15.56 100.42 55.15 -73.88 -27.52 42.69 0.31 57.00 26.55 5.80 9.26 55.68 2.43 0.00 0.12 0.15 92 E H H 116.36 2.69 11.94 15.75 94.26 58.53 -67.00 -36.44 19.59 0.19 80.22 10.10 3.38 6.60 76.07 3.68 0.00 0.09 0.08 93 R H H 148.48 1.42 13.40 14.61 93.15 53.67 -66.40 -38.88 16.65 0.19 83.15 8.51 2.48 6.01 79.45 3.38 0.00 0.10 0.07 94 R H H 130.44 1.97 13.48 15.72 92.90 50.98 -66.68 -39.37 12.83 0.19 86.98 7.75 1.94 3.84 83.13 3.16 0.00 0.10 0.06 95 I H H 86.70 2.82 12.44 16.44 92.67 51.10 -65.37 -40.69 8.89 0.14 90.97 5.01 1.41 2.89 88.34 2.23 0.00 0.08 0.04 96 N H H 93.23 1.71 13.50 15.23 92.71 50.81 -66.06 -39.21 9.99 0.14 89.87 5.23 1.45 3.65 87.41 2.13 0.00 0.08 0.04 97 Q H H 107.31 1.53 13.18 14.55 92.81 51.42 -65.74 -39.70 10.81 0.15 89.04 5.02 1.78 4.38 86.32 2.37 0.01 0.08 0.05 98 R H H 136.48 1.68 12.51 14.44 92.92 51.38 -66.48 -39.44 13.68 0.19 86.13 6.36 2.25 5.52 83.22 2.47 0.01 0.09 0.07 99 K H H 122.90 1.62 11.96 13.90 93.15 51.36 -66.62 -38.80 18.51 0.27 81.23 9.09 2.98 7.23 77.49 2.97 0.01 0.13 0.11 100 A H H 66.83 1.78 10.90 13.41 93.60 52.70 -66.55 -37.22 22.68 0.27 77.05 10.48 3.88 9.32 71.99 4.06 0.01 0.13 0.13 101 N H H 111.79 1.38 9.79 11.74 95.93 53.08 -74.19 -25.78 31.87 0.38 67.75 14.02 5.32 13.88 61.27 5.12 0.02 0.17 0.20 102 D H H 110.94 1.39 8.54 10.92 97.15 63.47 -75.81 -19.23 45.39 0.48 54.14 18.40 7.27 21.01 47.78 5.03 0.02 0.20 0.29 103 N C C 124.50 1.28 8.02 10.30 100.51 63.22 -83.88 2.32 69.20 0.33 30.46 42.18 2.00 24.57 28.16 2.73 0.00 0.14 0.22 104 K C C 148.90 2.07 9.84 13.29 105.09 95.73 -82.09 64.69 99.90 0.02 0.08 99.69 0.10 0.14 0.06 0.00 0.00 0.01 0.00