# 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 106.77 5.84 12.60 19.68 114.95 -130.13 -84.75 139.17 99.97 0.02 0.01 99.92 0.05 0.02 0.01 0.00 0.00 0.00 0.00 1 A C C 61.68 6.38 9.83 17.76 108.76 -108.37 -70.31 143.29 88.69 0.75 10.56 81.24 0.99 7.55 7.60 1.80 0.00 0.33 0.47 2 N C C 117.63 2.48 10.57 14.42 102.60 -148.34 -85.45 2.72 87.47 0.86 11.67 54.48 20.33 12.50 8.71 3.00 0.00 0.32 0.67 3 I C S 95.32 3.84 9.97 15.46 114.90 90.49 -92.70 136.73 77.09 1.42 21.49 34.31 37.47 5.20 19.86 1.80 0.01 0.35 0.99 4 K H H 142.82 2.07 11.64 14.83 94.14 -112.48 -62.70 -37.83 17.31 0.17 82.52 6.92 3.85 7.31 77.99 3.74 0.02 0.07 0.09 5 S H H 67.33 1.93 12.92 15.20 93.38 52.16 -67.05 -38.06 15.20 0.12 84.68 5.72 2.29 7.36 80.52 3.97 0.01 0.06 0.07 6 N H H 63.18 4.69 12.12 18.72 93.05 52.36 -66.62 -38.70 8.20 0.09 91.70 4.45 1.26 2.89 88.28 3.03 0.00 0.04 0.04 7 E H H 90.39 4.45 13.70 19.59 92.38 52.51 -64.78 -41.08 2.64 0.02 97.34 1.27 0.38 0.97 96.65 0.71 0.00 0.01 0.01 8 K H H 116.93 1.99 16.04 17.80 92.18 50.94 -64.94 -40.98 1.81 0.01 98.17 0.76 0.21 0.74 97.91 0.37 0.00 0.01 0.00 9 R H H 130.35 2.69 16.13 19.12 92.43 50.39 -65.51 -40.52 1.42 0.01 98.58 0.51 0.14 0.62 98.47 0.25 0.00 0.00 0.00 10 L H H 74.46 5.38 14.98 21.76 92.45 50.74 -65.46 -41.06 0.97 0.00 99.03 0.30 0.09 0.43 99.05 0.14 0.00 0.00 0.00 11 R H H 131.18 2.54 17.21 19.77 92.32 50.31 -64.97 -40.96 1.00 0.00 98.99 0.26 0.08 0.48 99.06 0.12 0.00 0.00 0.00 12 Q H H 92.05 2.70 17.32 20.01 92.23 49.88 -65.29 -40.90 1.03 0.00 98.97 0.24 0.09 0.50 99.08 0.09 0.00 0.00 0.00 13 N H H 66.78 5.44 15.76 22.51 92.59 50.64 -65.48 -40.46 1.17 0.00 98.83 0.32 0.10 0.52 98.98 0.08 0.00 0.00 0.00 14 I H H 85.54 3.89 16.88 21.48 92.17 50.08 -65.32 -41.43 0.81 0.00 99.19 0.20 0.07 0.38 99.29 0.07 0.00 0.00 0.00 15 K H H 120.29 2.01 18.49 19.80 91.83 49.79 -64.46 -41.53 0.62 0.00 99.38 0.13 0.05 0.30 99.46 0.06 0.00 0.00 0.00 16 R H H 116.69 4.99 17.27 23.04 92.25 49.70 -65.13 -41.00 0.58 0.00 99.42 0.11 0.04 0.29 99.49 0.06 0.00 0.00 0.00 17 N H H 71.89 6.94 16.76 24.81 92.36 50.37 -65.03 -40.66 0.67 0.00 99.33 0.11 0.05 0.35 99.41 0.07 0.00 0.00 0.00 18 L H H 89.21 2.72 19.46 21.63 92.07 49.76 -64.98 -41.47 0.66 0.00 99.34 0.10 0.05 0.36 99.41 0.07 0.00 0.00 0.00 19 N H H 84.46 3.15 19.65 22.68 92.16 49.52 -64.95 -41.29 0.84 0.00 99.15 0.13 0.06 0.47 99.25 0.08 0.00 0.00 0.00 20 N H H 43.42 11.50 15.75 28.29 92.49 50.05 -65.63 -40.26 1.27 0.00 98.73 0.22 0.09 0.73 98.86 0.10 0.00 0.00 0.00 21 K H H 110.23 4.53 19.65 24.79 92.01 51.05 -64.23 -40.96 0.55 0.00 99.45 0.09 0.04 0.30 99.51 0.06 0.00 0.00 0.00 22 G H H 36.82 2.44 21.16 22.56 91.81 50.10 -64.06 -41.85 0.63 0.00 99.37 0.09 0.04 0.36 99.44 0.07 0.00 0.00 0.00 23 Q H H 50.19 11.15 18.14 30.16 92.05 49.56 -65.11 -41.68 0.58 0.00 99.42 0.08 0.04 0.33 99.49 0.06 0.00 0.00 0.00 24 K H H 68.09 13.81 17.45 31.14 91.43 52.17 -62.57 -41.84 0.43 0.00 99.57 0.06 0.03 0.24 99.62 0.04 0.00 0.00 0.00 25 T H H 77.16 2.16 22.78 23.34 91.30 50.17 -64.07 -40.78 0.50 0.00 99.50 0.08 0.03 0.28 99.57 0.05 0.00 0.00 0.00 26 K H H 109.25 3.45 22.16 25.40 91.59 49.59 -64.87 -40.79 0.38 0.00 99.61 0.04 0.02 0.23 99.67 0.04 0.00 0.00 0.00 27 L H H 17.26 19.04 15.37 34.63 91.97 50.66 -64.62 -42.51 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 28 K H H 100.17 7.75 20.82 29.20 91.53 51.64 -62.57 -41.69 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 29 T H H 75.11 1.86 23.54 23.11 91.69 49.39 -64.23 -41.56 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 30 N H H 38.78 11.30 19.62 31.81 91.93 49.91 -65.02 -41.53 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 31 V H H 20.45 18.07 16.91 34.98 91.68 50.36 -63.79 -42.46 0.14 0.00 99.86 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 32 K H H 111.63 2.74 23.10 25.03 91.48 50.80 -63.41 -41.17 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 33 N H H 81.62 3.29 22.37 25.13 91.81 49.62 -64.79 -40.91 0.45 0.00 99.55 0.03 0.02 0.31 99.56 0.07 0.00 0.00 0.00 34 F H H 21.66 17.96 15.51 33.85 92.20 50.80 -63.94 -42.17 0.43 0.00 99.57 0.05 0.02 0.26 99.56 0.11 0.00 0.00 0.00 35 H H H 84.47 9.67 19.19 29.24 91.67 51.24 -63.25 -41.46 0.69 0.00 99.31 0.11 0.05 0.40 99.23 0.22 0.00 0.00 0.00 36 K H H 121.21 1.56 21.43 20.86 91.93 50.26 -64.99 -41.10 1.77 0.00 98.22 0.19 0.15 1.29 98.00 0.37 0.00 0.00 0.00 37 E H H 53.28 7.73 15.55 25.23 92.24 49.78 -65.79 -39.80 4.03 0.02 95.95 0.81 0.49 2.51 95.51 0.66 0.01 0.01 0.01 38 I H H 45.91 14.35 12.14 26.62 92.67 51.53 -66.02 -40.15 8.99 0.07 90.95 2.09 0.97 5.70 89.26 1.91 0.02 0.03 0.03 39 N H H 121.91 1.56 16.30 17.76 92.03 51.90 -67.52 -31.09 17.23 0.06 82.71 1.97 1.61 13.18 81.41 1.76 0.02 0.02 0.03 40 L C T 109.48 2.33 14.17 16.87 95.89 47.87 -87.73 -4.40 70.18 0.09 29.74 3.14 6.99 57.87 29.87 2.02 0.01 0.03 0.08 41 D C T 111.08 3.70 14.44 19.73 95.67 -115.17 59.42 32.28 97.30 0.08 2.62 15.92 9.05 72.57 1.83 0.56 0.00 0.03 0.04 42 N C C 71.93 6.97 15.56 24.03 102.42 130.58 -97.00 51.14 97.16 0.16 2.68 93.47 1.93 2.18 1.86 0.41 0.00 0.05 0.11 43 L H H 33.92 19.25 11.82 30.32 94.45 146.60 -68.12 -31.29 47.15 0.12 52.73 40.23 2.08 3.95 52.34 1.31 0.00 0.04 0.06 44 G H H 43.65 3.59 20.74 24.73 91.69 61.75 -62.14 -40.84 13.18 0.04 86.78 6.70 1.46 4.35 86.07 1.38 0.00 0.01 0.02 45 N H H 88.69 3.34 22.77 25.64 92.09 49.22 -67.09 -38.81 5.00 0.03 94.97 2.01 0.65 2.23 93.73 1.35 0.00 0.01 0.01 46 V H H 8.62 20.94 15.66 36.72 91.75 50.86 -64.67 -42.86 1.60 0.01 98.39 0.56 0.17 0.74 97.91 0.62 0.00 0.01 0.00 47 Y H H 72.09 15.17 20.09 34.55 91.61 51.88 -62.42 -42.60 0.38 0.00 99.62 0.10 0.03 0.16 99.58 0.11 0.00 0.00 0.00 48 S H H 62.39 2.12 25.25 25.51 91.39 50.39 -63.52 -42.30 0.30 0.00 99.70 0.05 0.01 0.16 99.70 0.08 0.00 0.00 0.00 49 Q H H 58.68 9.96 22.54 32.91 91.79 48.90 -65.08 -41.57 0.24 0.00 99.76 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 50 A H H 4.06 23.75 16.20 40.13 91.68 50.13 -63.51 -42.54 0.22 0.00 99.78 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 51 D H H 63.04 7.29 22.77 30.46 91.45 51.47 -63.31 -41.40 0.69 0.00 99.31 0.08 0.03 0.43 99.39 0.07 0.00 0.00 0.00 52 R H H 125.53 2.36 24.21 25.13 91.91 49.99 -64.76 -41.32 1.15 0.00 98.84 0.08 0.07 0.88 98.83 0.14 0.00 0.00 0.00 53 L H H 17.03 14.03 16.42 32.05 91.94 50.29 -64.86 -41.17 1.49 0.01 98.50 0.24 0.16 1.00 98.22 0.36 0.01 0.01 0.01 54 A H H 26.03 14.20 14.38 29.10 92.01 51.94 -63.54 -40.92 2.22 0.02 97.76 0.40 0.19 1.56 96.97 0.87 0.01 0.01 0.01 55 R H H 177.34 1.22 18.55 18.97 91.14 52.41 -65.25 -32.27 7.17 0.02 92.81 0.28 0.31 7.01 91.62 0.76 0.02 0.01 0.01 56 K C T 122.77 3.52 15.47 19.94 92.70 52.57 -85.70 -3.88 77.19 0.02 22.79 0.20 1.35 75.53 22.11 0.78 0.00 0.00 0.02 57 G C T 51.71 3.71 16.40 21.29 95.63 -109.95 80.12 11.49 99.69 0.01 0.30 0.34 2.94 96.52 0.15 0.05 0.00 0.00 0.00 58 I C S 57.67 11.20 15.75 28.04 95.22 120.98 -77.78 -32.23 99.81 0.11 0.08 3.33 95.26 1.26 0.05 0.02 0.00 0.03 0.04 59 I C S 16.30 20.22 11.44 31.53 131.76 22.71 -135.31 148.86 98.81 1.11 0.08 5.34 93.19 0.57 0.04 0.01 0.00 0.20 0.64 60 S C C 55.04 3.38 20.81 23.70 116.86 -104.20 -69.52 152.68 99.82 0.12 0.06 99.37 0.47 0.02 0.04 0.00 0.00 0.03 0.05 61 T H H 81.35 9.26 13.18 23.59 91.35 -111.62 -57.92 -37.84 6.81 0.01 93.18 0.45 0.56 5.62 90.44 2.91 0.01 0.00 0.00 62 N H H 114.08 1.09 20.08 18.98 91.67 53.18 -64.22 -39.65 5.65 0.01 94.34 0.32 0.34 4.89 91.29 3.15 0.01 0.00 0.00 63 R H H 101.46 6.37 19.15 26.22 92.42 47.15 -67.02 -39.69 2.30 0.01 97.69 0.40 0.25 1.56 95.19 2.58 0.00 0.01 0.00 64 A H H 5.96 20.69 11.91 32.85 91.45 52.04 -62.71 -42.60 0.77 0.00 99.22 0.16 0.08 0.43 98.93 0.41 0.00 0.00 0.00 65 R H H 128.94 4.10 21.12 25.70 91.38 51.31 -63.27 -40.95 0.44 0.00 99.56 0.07 0.03 0.24 99.49 0.17 0.00 0.00 0.00 66 R H H 137.05 1.76 22.96 22.78 91.79 49.53 -64.38 -41.61 0.32 0.00 99.68 0.04 0.02 0.19 99.64 0.11 0.00 0.00 0.00 67 L H H 35.82 14.37 18.36 33.04 91.98 49.09 -65.17 -41.64 0.40 0.00 99.59 0.04 0.02 0.26 99.60 0.08 0.00 0.00 0.00 68 K H H 60.25 15.94 18.11 33.40 91.51 51.73 -62.48 -42.22 1.06 0.00 98.94 0.08 0.06 0.73 99.04 0.09 0.00 0.00 0.00 69 S H H 63.70 2.20 23.49 24.05 91.41 50.29 -63.91 -41.05 1.43 0.00 98.57 0.18 0.10 0.89 98.74 0.09 0.00 0.00 0.00 70 R H H 120.25 4.05 22.52 26.53 91.72 49.55 -65.20 -40.86 0.69 0.00 99.31 0.11 0.05 0.39 99.37 0.08 0.00 0.00 0.00 71 N H H 17.46 19.15 16.19 35.34 91.79 50.35 -64.39 -42.21 0.52 0.00 99.48 0.10 0.03 0.29 99.49 0.09 0.00 0.00 0.00 72 V H H 64.19 7.99 21.14 29.73 91.58 50.52 -63.35 -41.48 0.32 0.00 99.68 0.07 0.02 0.16 99.69 0.06 0.00 0.00 0.00 73 A H H 56.74 2.49 22.80 23.94 91.79 50.50 -63.87 -42.18 0.27 0.00 99.73 0.04 0.02 0.14 99.74 0.06 0.00 0.00 0.00 74 V H H 45.18 9.46 19.60 30.17 92.00 49.29 -65.08 -41.91 0.33 0.00 99.67 0.04 0.02 0.19 99.67 0.07 0.00 0.00 0.00 75 L H H 32.97 15.19 16.41 32.01 91.73 50.52 -63.90 -42.10 0.41 0.00 99.59 0.05 0.03 0.24 99.59 0.09 0.00 0.00 0.00 76 N H H 86.97 3.40 20.48 23.86 91.67 50.74 -64.13 -40.07 0.91 0.00 99.09 0.14 0.06 0.52 99.13 0.15 0.00 0.00 0.00 77 K H H 121.91 2.45 19.92 21.87 92.15 50.54 -65.22 -40.50 1.66 0.00 98.34 0.24 0.12 1.04 98.31 0.29 0.00 0.00 0.00 78 T H H 39.97 10.36 15.71 27.41 92.68 49.82 -66.08 -40.49 2.63 0.01 97.36 0.56 0.26 1.49 97.25 0.42 0.00 0.00 0.00 79 Q H H 90.38 6.11 17.17 24.30 92.41 50.69 -65.13 -39.77 5.12 0.03 94.86 1.66 0.66 2.49 94.47 0.68 0.00 0.01 0.01 80 V H H 82.17 2.35 16.51 18.75 92.66 50.59 -65.28 -41.21 9.57 0.09 90.35 3.92 1.44 4.15 89.21 1.20 0.01 0.04 0.03 81 T H H 74.62 2.87 15.41 18.78 93.14 49.86 -67.21 -38.86 15.89 0.13 83.98 6.67 2.22 6.61 82.89 1.49 0.01 0.05 0.06 82 A H H 47.35 6.37 11.58 19.81 93.79 52.69 -67.80 -36.62 25.96 0.27 73.77 12.28 4.06 9.15 72.38 1.89 0.01 0.11 0.13 83 V H H 95.32 3.05 11.60 15.89 96.02 52.89 -72.32 -31.85 37.07 0.58 62.36 19.49 6.37 11.20 60.19 2.25 0.01 0.23 0.27 84 E C H 144.50 1.49 10.85 13.01 98.48 58.47 -74.68 -18.25 51.93 0.59 47.48 21.24 7.23 23.39 45.05 2.53 0.01 0.23 0.32 85 G C C 58.08 1.90 10.35 13.45 101.51 42.84 -56.70 -1.76 75.36 0.21 24.44 42.84 1.78 29.23 24.39 1.53 0.00 0.09 0.13 86 K C C 143.30 3.05 11.00 15.67 104.15 90.57 -82.89 31.82 99.95 0.01 0.04 99.82 0.07 0.08 0.02 0.00 0.00 0.00 0.00