# 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 110.91 3.60 15.21 20.10 114.54 -115.61 -96.06 124.28 99.97 0.03 0.00 99.04 0.91 0.02 0.00 0.00 0.00 0.01 0.00 1 P C C 88.40 5.89 12.81 20.28 113.95 -108.63 -70.03 148.48 99.67 0.23 0.09 98.51 0.89 0.33 0.03 0.02 0.00 0.07 0.14 2 I C C 86.57 9.24 11.60 22.02 114.32 -110.67 -83.93 132.85 98.94 0.59 0.47 93.54 4.79 0.68 0.25 0.13 0.00 0.22 0.40 3 P C C 71.15 8.61 14.11 23.91 109.39 -110.35 -67.37 142.62 95.44 0.88 3.68 85.18 5.98 4.56 2.02 1.27 0.00 0.36 0.63 4 T C C 66.08 10.64 14.55 25.59 111.31 -150.06 -96.31 103.65 89.70 1.85 8.45 68.43 14.04 6.86 6.39 2.09 0.00 0.65 1.55 5 S C C 45.01 12.19 14.57 26.86 100.89 90.75 -74.74 -31.29 65.41 1.12 33.47 42.32 17.86 4.54 32.71 1.59 0.00 0.31 0.67 6 A H H 65.85 4.35 18.26 23.11 93.34 64.80 -63.62 -39.21 7.91 0.05 92.04 3.52 1.87 2.71 90.77 1.08 0.01 0.02 0.03 7 V H H 62.23 9.36 18.38 28.21 92.50 51.07 -65.35 -40.59 3.54 0.04 96.42 1.44 0.55 1.62 95.27 1.08 0.01 0.02 0.01 8 L H H 34.17 17.67 16.84 34.17 92.48 49.69 -65.81 -40.74 2.04 0.03 97.92 0.84 0.30 0.95 96.81 1.07 0.00 0.02 0.01 9 T H H 59.22 9.40 21.10 30.78 92.07 50.57 -64.32 -41.15 2.39 0.04 97.56 0.96 0.35 1.18 96.69 0.78 0.01 0.02 0.01 10 A H H 45.89 4.98 23.21 28.21 91.81 50.62 -64.14 -41.64 4.26 0.04 95.70 0.91 0.46 2.76 95.13 0.70 0.01 0.01 0.02 11 S H H 21.00 14.75 20.49 35.64 91.77 50.61 -64.80 -40.95 4.94 0.01 95.05 0.75 0.42 3.42 94.87 0.53 0.00 0.00 0.01 12 A H H 18.09 18.54 19.30 37.41 91.59 52.61 -63.16 -40.84 1.29 0.00 98.71 0.25 0.10 0.68 98.72 0.25 0.00 0.00 0.00 13 K H H 112.97 5.10 24.37 29.85 91.62 50.85 -64.29 -40.96 1.13 0.00 98.87 0.14 0.07 0.74 98.73 0.31 0.00 0.00 0.00 14 H H H 72.82 7.85 23.35 31.41 91.91 49.47 -65.21 -42.34 1.18 0.00 98.81 0.13 0.07 0.84 98.61 0.33 0.00 0.00 0.00 15 I H H 16.10 19.52 19.26 38.63 91.79 48.94 -64.28 -42.47 0.69 0.00 99.31 0.07 0.06 0.49 99.09 0.30 0.00 0.00 0.00 16 G H H 14.17 15.73 17.35 33.33 91.70 52.67 -62.87 -40.08 1.20 0.00 98.79 0.09 0.06 0.96 98.09 0.80 0.00 0.00 0.00 17 M H H 119.46 2.45 22.71 24.48 92.20 49.88 -67.08 -37.54 2.53 0.00 97.47 0.07 0.09 2.47 95.45 1.91 0.00 0.00 0.00 18 R H H 113.93 7.99 20.21 28.51 93.81 42.82 -77.92 -30.90 8.09 0.00 91.91 0.08 0.22 8.59 89.58 1.54 0.00 0.00 0.00 19 C C H 11.57 20.28 12.82 33.56 100.73 36.57 -109.13 10.43 51.30 0.05 48.65 2.95 2.78 44.16 47.80 2.24 0.01 0.01 0.06 20 M H H 87.93 10.69 16.94 28.55 92.82 113.71 -57.32 -43.05 1.79 0.00 98.21 0.55 0.16 0.74 98.17 0.37 0.00 0.00 0.00 21 P H H 97.43 1.55 23.32 23.06 92.03 49.27 -63.99 -39.89 0.39 0.00 99.61 0.03 0.02 0.27 99.47 0.21 0.00 0.00 0.00 22 E H H 53.03 12.87 19.68 32.72 91.99 48.61 -66.23 -40.16 0.09 0.00 99.91 0.01 0.00 0.06 99.81 0.13 0.00 0.00 0.00 23 N H H 12.89 20.86 16.36 37.19 91.60 51.47 -63.74 -42.00 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.04 0.00 0.00 0.00 24 V H H 75.09 4.35 24.85 29.02 91.35 50.22 -63.71 -41.65 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 25 A H H 38.67 5.42 23.42 29.52 91.27 50.80 -63.53 -42.41 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 26 F H H 13.91 20.24 17.60 38.03 91.47 49.93 -63.80 -42.68 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 27 L H H 49.48 11.18 20.85 32.60 91.46 50.33 -63.59 -41.41 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 28 K H H 115.06 1.99 23.99 24.07 91.81 50.35 -64.41 -41.13 0.29 0.00 99.71 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 29 C H H 20.88 10.41 16.05 28.64 91.98 50.06 -64.53 -40.44 0.56 0.00 99.44 0.03 0.03 0.44 99.31 0.19 0.00 0.00 0.00 30 K H H 58.16 14.56 12.93 27.56 91.80 52.95 -64.76 -37.67 1.40 0.00 98.60 0.07 0.07 1.16 98.04 0.66 0.00 0.00 0.00 31 K H H 152.19 1.60 16.68 18.24 92.30 51.18 -68.52 -34.36 5.15 0.00 94.85 0.11 0.19 4.88 94.13 0.68 0.00 0.00 0.00 32 N H H 122.84 1.07 15.57 15.51 97.33 39.81 -87.36 -21.62 15.45 0.01 84.54 0.30 1.26 13.64 84.33 0.44 0.01 0.00 0.01 33 D C C 61.92 8.05 10.94 20.54 116.42 25.05 -135.39 98.31 99.37 0.09 0.54 62.41 34.68 2.17 0.54 0.08 0.00 0.02 0.11 34 P C S 105.67 3.60 13.18 18.68 95.06 -165.00 -67.86 -14.06 99.86 0.04 0.09 29.25 59.59 11.03 0.02 0.06 0.00 0.02 0.03 35 N C C 77.81 4.31 15.62 21.29 107.01 98.03 -99.44 101.27 99.82 0.05 0.13 84.30 14.96 0.56 0.07 0.04 0.00 0.01 0.06 36 P H H 54.88 13.84 11.32 25.70 93.33 -168.05 -62.53 -33.33 15.16 0.04 84.80 2.60 1.87 9.63 70.36 15.49 0.01 0.02 0.02 37 E H H 129.04 2.32 18.60 20.98 91.84 56.24 -64.25 -40.56 6.46 0.01 93.53 0.46 0.42 5.01 78.44 15.65 0.00 0.00 0.00 38 K H H 105.86 3.32 20.18 23.24 92.32 48.58 -66.28 -39.65 4.54 0.01 95.44 0.43 0.32 3.32 78.38 17.53 0.00 0.01 0.00 39 C H H 8.95 18.74 13.30 32.54 92.29 50.76 -65.77 -39.97 6.81 0.03 93.16 1.04 0.61 4.65 83.01 10.66 0.01 0.01 0.01 40 L H H 53.34 11.54 19.05 31.11 92.45 53.00 -63.83 -41.85 3.80 0.01 96.19 1.37 0.74 1.52 95.77 0.59 0.00 0.00 0.01 41 D H H 91.55 1.90 25.32 25.32 91.98 49.37 -64.23 -41.78 0.91 0.00 99.09 0.14 0.11 0.51 99.03 0.22 0.00 0.00 0.00 42 K H H 67.49 10.36 21.91 32.60 92.09 48.76 -65.11 -41.15 0.40 0.00 99.60 0.04 0.03 0.24 99.44 0.25 0.00 0.00 0.00 43 G H H 4.64 21.61 16.81 38.49 91.33 52.55 -62.62 -42.60 0.34 0.00 99.66 0.04 0.02 0.19 99.61 0.14 0.00 0.00 0.00 44 R H H 115.04 6.54 24.44 31.21 91.66 50.51 -63.86 -41.54 0.18 0.00 99.82 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 45 D H H 74.44 4.10 25.69 29.54 91.67 50.10 -64.18 -41.73 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 46 V H H 11.63 19.83 20.03 39.76 91.81 49.24 -64.56 -43.26 0.28 0.00 99.72 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 47 T H H 28.50 16.86 21.31 37.58 91.77 50.38 -64.01 -42.12 0.41 0.00 99.59 0.04 0.02 0.23 99.67 0.05 0.00 0.00 0.00 48 R H H 140.83 2.70 25.90 28.14 91.49 50.83 -63.91 -41.25 0.45 0.00 99.55 0.04 0.02 0.28 99.57 0.09 0.00 0.00 0.00 49 C H H 37.07 9.67 22.55 33.02 91.71 49.70 -64.90 -42.47 0.62 0.00 99.38 0.07 0.03 0.38 99.37 0.15 0.00 0.00 0.00 50 V H H 11.14 21.88 19.24 40.66 91.87 49.33 -64.97 -42.14 0.70 0.00 99.30 0.10 0.04 0.41 99.25 0.19 0.00 0.00 0.00 51 L H H 58.97 11.37 22.19 33.57 91.70 51.29 -63.29 -41.80 0.43 0.00 99.57 0.05 0.02 0.26 99.54 0.13 0.00 0.00 0.00 52 G H H 33.81 3.21 24.39 26.97 91.49 50.87 -63.96 -41.71 0.75 0.00 99.25 0.07 0.03 0.52 99.23 0.16 0.00 0.00 0.00 53 L H H 25.39 15.42 20.20 35.87 92.00 49.93 -64.51 -42.84 0.67 0.00 99.33 0.06 0.03 0.48 99.24 0.19 0.00 0.00 0.00 54 L H H 22.10 20.29 18.53 38.21 91.86 50.79 -63.53 -41.76 0.29 0.00 99.71 0.04 0.02 0.17 99.64 0.13 0.00 0.00 0.00 55 K H H 111.13 3.82 23.08 26.80 91.59 50.62 -63.63 -41.52 0.30 0.00 99.70 0.03 0.01 0.19 99.60 0.17 0.00 0.00 0.00 56 D H H 69.50 4.22 22.41 26.53 91.80 49.09 -64.77 -41.11 0.49 0.00 99.51 0.04 0.02 0.34 99.33 0.27 0.00 0.00 0.00 57 L H H 8.82 20.70 15.57 36.69 91.53 50.23 -63.95 -42.87 0.61 0.00 99.39 0.06 0.04 0.42 98.92 0.56 0.00 0.00 0.00 58 H H H 70.30 14.18 17.31 31.18 91.41 51.51 -63.66 -38.99 1.52 0.00 98.48 0.12 0.09 1.21 97.67 0.92 0.00 0.00 0.00 59 Q H H 124.83 1.55 20.92 21.01 93.07 49.42 -69.41 -37.11 5.99 0.00 94.00 0.15 0.23 5.79 92.62 1.20 0.00 0.00 0.00 60 K H H 113.90 4.96 18.95 24.49 98.82 34.78 -89.58 -26.89 16.95 0.01 83.04 0.30 1.10 15.79 81.76 1.02 0.01 0.00 0.01 61 C C T 12.13 19.64 11.23 30.91 103.00 37.69 -113.76 18.12 63.26 0.45 36.29 19.51 9.55 34.43 33.34 2.60 0.03 0.12 0.43 62 Q H H 88.11 8.87 16.08 26.35 93.08 115.99 -59.00 -42.97 3.35 0.01 96.64 1.79 0.35 1.00 96.46 0.40 0.00 0.00 0.00 63 K H H 143.25 1.30 21.77 21.24 92.16 49.86 -64.76 -40.44 0.53 0.00 99.47 0.05 0.04 0.33 99.35 0.23 0.00 0.00 0.00 64 E H H 53.36 12.04 18.66 31.23 92.20 48.64 -65.71 -40.51 0.23 0.00 99.77 0.03 0.01 0.13 99.62 0.21 0.00 0.00 0.00 65 M H H 15.53 21.19 15.53 36.41 91.81 50.29 -63.75 -42.09 0.09 0.00 99.91 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 66 D H H 80.94 4.70 23.37 28.24 91.53 50.73 -63.96 -40.61 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 67 D H H 74.62 4.56 23.85 28.35 91.73 49.61 -64.54 -41.48 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 68 Y H H 18.64 20.42 18.84 38.97 92.11 48.98 -65.00 -42.70 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 69 V H H 30.27 15.06 21.06 36.16 91.17 50.97 -62.84 -42.64 0.22 0.00 99.78 0.01 0.01 0.18 99.77 0.04 0.00 0.00 0.00 70 G H H 31.17 3.32 24.39 27.27 91.25 51.41 -62.97 -41.44 1.43 0.00 98.57 0.05 0.05 1.28 98.45 0.17 0.00 0.00 0.00 71 C H H 15.09 12.50 18.34 32.66 91.53 50.88 -63.85 -41.69 0.90 0.00 99.10 0.05 0.05 0.72 98.33 0.86 0.00 0.00 0.00 72 M H H 20.96 19.29 15.39 34.64 91.86 51.74 -64.86 -39.84 1.45 0.00 98.55 0.06 0.07 1.24 96.32 2.30 0.00 0.00 0.00 73 Y H H 128.54 5.46 19.44 25.47 93.49 48.92 -69.87 -36.58 5.22 0.00 94.78 0.14 0.21 4.89 92.82 1.93 0.00 0.00 0.00 74 Y H H 145.25 2.63 18.64 20.99 98.46 37.23 -88.61 -29.57 15.61 0.02 84.37 0.53 1.39 13.53 83.47 1.04 0.02 0.00 0.01 75 Y C C 86.33 9.24 12.72 23.28 109.14 29.29 -122.65 59.52 86.63 0.64 12.73 49.15 13.88 22.75 11.58 1.73 0.00 0.17 0.74 76 T C T 77.05 8.90 14.56 24.32 98.13 -159.44 4.97 39.51 98.22 0.11 1.67 7.02 8.97 82.44 0.45 0.98 0.00 0.06 0.06 77 N C T 96.93 8.98 15.34 25.11 94.13 -38.06 64.77 21.70 98.90 0.06 1.04 4.02 15.20 79.81 0.16 0.74 0.00 0.04 0.03 78 E C C 92.66 4.97 18.96 24.84 108.07 122.05 -103.97 98.02 98.21 0.32 1.47 88.41 8.80 0.98 0.89 0.41 0.00 0.07 0.44 79 F H H 69.50 16.61 11.92 28.15 93.86 -174.96 -63.51 -36.05 14.67 0.06 85.27 4.00 2.19 7.89 73.54 12.30 0.01 0.02 0.04 80 D H H 102.36 1.90 19.99 21.33 91.54 58.67 -63.65 -38.20 5.98 0.01 94.00 0.47 0.41 4.40 79.49 15.21 0.00 0.01 0.00 81 L H H 66.92 6.00 18.48 25.62 91.96 49.04 -66.25 -37.79 4.35 0.01 95.64 0.27 0.27 3.31 81.25 14.90 0.00 0.00 0.00 82 C H H 6.38 21.78 11.89 33.69 93.61 50.57 -73.23 -31.88 10.34 0.03 89.64 1.01 0.86 7.82 79.51 10.76 0.01 0.01 0.01 83 R H H 104.97 8.89 19.27 28.79 91.76 59.12 -62.26 -41.32 3.16 0.02 96.82 1.23 0.44 1.15 96.62 0.54 0.00 0.01 0.01 84 K H H 127.74 1.57 23.66 23.12 91.72 50.32 -64.40 -41.31 0.74 0.00 99.26 0.23 0.07 0.31 99.13 0.27 0.00 0.00 0.00 85 E H H 43.87 14.22 18.73 33.12 92.00 48.90 -65.53 -40.41 0.51 0.00 99.49 0.11 0.04 0.23 99.33 0.29 0.00 0.00 0.00 86 Q H H 32.54 18.82 16.98 35.22 91.60 52.30 -62.97 -41.83 0.51 0.00 99.49 0.09 0.03 0.24 99.46 0.17 0.00 0.00 0.00 87 E H H 101.45 2.77 23.59 25.38 91.59 50.52 -63.62 -41.29 0.42 0.00 99.58 0.06 0.02 0.20 99.62 0.08 0.00 0.00 0.00 88 A H H 40.30 5.40 20.93 27.22 91.44 50.58 -64.11 -41.66 0.55 0.00 99.45 0.06 0.03 0.34 99.38 0.19 0.00 0.00 0.00 89 F H H 9.27 23.10 14.03 37.21 91.80 50.51 -64.12 -41.51 0.79 0.00 99.21 0.07 0.04 0.56 98.75 0.58 0.00 0.00 0.00 90 E H H 86.43 11.47 17.96 29.60 90.96 53.46 -64.32 -34.16 2.87 0.00 97.13 0.16 0.13 2.42 95.72 1.56 0.00 0.00 0.00 91 K H H 154.36 1.12 21.46 20.64 91.51 52.92 -71.29 -27.25 18.75 0.01 81.24 0.33 0.52 18.38 79.04 1.72 0.01 0.00 0.01 92 V H H 49.79 12.09 15.95 28.61 97.82 47.73 -89.52 -21.82 34.91 0.06 65.03 1.43 2.75 30.04 63.99 1.68 0.03 0.02 0.05 93 C C S 17.39 20.87 10.17 29.91 114.25 55.37 -110.05 111.73 97.65 1.22 1.14 26.71 69.52 1.51 0.94 0.20 0.00 0.39 0.73 94 P C C 82.86 4.37 17.47 22.76 106.98 -135.54 -69.82 128.70 98.27 1.23 0.51 95.09 1.14 2.25 0.20 0.15 0.00 0.48 0.69 95 L C C 91.87 10.87 13.69 24.80 105.85 -132.49 -80.85 100.89 99.96 0.04 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.01