# 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 100.82 6.56 12.67 20.49 113.00 -143.95 -88.01 131.93 99.96 0.01 0.03 99.90 0.04 0.03 0.01 0.00 0.00 0.00 0.00 1 V C C 87.46 4.83 11.21 17.53 106.71 -122.01 -72.88 137.79 64.60 0.76 34.65 54.70 1.15 8.76 32.43 2.23 0.00 0.31 0.41 2 L H H 116.75 3.05 11.18 15.50 95.94 -112.11 -67.91 -32.94 48.13 0.65 51.21 24.57 8.43 15.36 47.85 3.16 0.01 0.26 0.36 3 S H H 71.28 2.29 13.47 16.15 94.97 53.44 -69.31 -36.61 29.52 0.38 70.10 17.46 5.12 7.65 66.44 2.98 0.01 0.16 0.18 4 A H H 50.60 5.51 12.92 20.04 93.59 54.45 -67.07 -38.80 10.17 0.11 89.72 5.40 1.77 3.23 87.66 1.84 0.00 0.05 0.04 5 T H H 59.76 8.10 13.56 22.91 93.31 51.97 -66.81 -40.24 6.24 0.09 93.68 3.00 0.90 2.42 92.30 1.31 0.00 0.04 0.03 6 T H H 77.63 3.36 17.21 20.86 92.76 50.74 -65.61 -40.72 3.66 0.05 96.29 1.47 0.48 1.66 95.47 0.86 0.01 0.03 0.01 7 I H H 97.02 2.50 18.67 20.66 92.44 49.04 -65.29 -41.61 1.64 0.01 98.34 0.52 0.20 0.80 98.07 0.40 0.00 0.01 0.00 8 G H H 24.24 7.70 15.98 25.34 92.22 50.85 -64.41 -41.93 1.16 0.00 98.84 0.26 0.10 0.63 98.71 0.30 0.00 0.00 0.00 9 A H H 41.23 8.54 16.69 26.46 91.90 50.43 -64.54 -41.07 1.01 0.00 98.99 0.14 0.07 0.64 98.88 0.28 0.00 0.00 0.00 10 L H H 95.29 3.06 20.37 23.09 92.18 49.78 -65.04 -41.34 1.03 0.00 98.96 0.12 0.07 0.68 98.93 0.21 0.00 0.00 0.00 11 L H H 92.17 3.00 20.49 23.05 92.29 49.36 -65.11 -41.84 1.15 0.00 98.84 0.14 0.08 0.72 98.90 0.16 0.00 0.00 0.00 12 G H H 21.83 9.41 16.52 27.33 92.16 50.88 -63.85 -42.61 1.42 0.00 98.57 0.16 0.09 0.95 98.64 0.16 0.00 0.00 0.00 13 L H H 74.88 7.20 18.60 26.50 92.15 49.27 -64.70 -41.42 0.83 0.00 99.17 0.08 0.05 0.54 99.19 0.14 0.00 0.00 0.00 14 G H H 37.70 2.84 20.08 22.49 92.09 50.75 -63.84 -42.15 0.74 0.00 99.26 0.09 0.04 0.44 99.31 0.11 0.00 0.00 0.00 15 T H H 65.59 3.88 19.22 23.36 92.18 49.45 -65.05 -41.85 0.68 0.00 99.32 0.10 0.05 0.40 99.35 0.11 0.00 0.00 0.00 16 Q H H 66.84 9.58 16.76 27.24 92.26 50.44 -64.39 -41.22 0.66 0.00 99.34 0.09 0.04 0.43 99.32 0.12 0.00 0.00 0.00 17 M H H 88.39 5.56 17.67 24.15 92.12 49.83 -64.30 -41.86 0.74 0.00 99.26 0.09 0.05 0.50 99.21 0.16 0.00 0.00 0.00 18 Y H H 133.73 1.84 19.62 20.09 92.10 49.42 -64.71 -41.52 1.04 0.00 98.96 0.13 0.07 0.70 98.86 0.24 0.00 0.00 0.00 19 S H H 42.86 4.86 16.14 22.43 92.10 50.12 -64.63 -41.41 1.80 0.01 98.20 0.21 0.14 1.28 97.96 0.40 0.00 0.00 0.00 20 N H H 41.75 8.66 12.46 23.21 92.06 50.06 -65.43 -40.01 3.64 0.01 96.35 0.39 0.28 2.75 95.57 1.00 0.01 0.00 0.00 21 A H H 63.72 3.20 13.90 18.20 92.15 51.32 -64.50 -39.87 5.41 0.01 94.58 0.36 0.33 4.50 92.93 1.86 0.01 0.00 0.00 22 L H H 125.71 1.19 13.65 14.38 92.37 51.09 -68.76 -30.63 14.33 0.03 85.64 0.72 0.96 12.68 83.19 2.39 0.03 0.01 0.02 23 R C T 143.27 2.96 11.54 15.74 96.36 50.31 -87.97 2.15 67.89 0.08 32.03 1.33 3.17 62.01 31.07 2.31 0.01 0.02 0.08 24 K C T 166.56 1.38 13.22 15.18 96.74 -121.63 56.83 35.69 90.98 0.05 8.97 6.41 3.71 80.84 7.84 1.14 0.00 0.02 0.04 25 L C C 68.58 7.82 8.49 18.19 117.34 160.89 -90.77 136.52 99.21 0.21 0.58 80.16 18.40 0.62 0.35 0.17 0.00 0.06 0.24 26 P C C 76.76 3.31 13.73 18.15 111.37 -108.79 -65.77 142.95 94.72 0.42 4.87 91.00 1.84 2.40 1.11 3.19 0.00 0.18 0.28 27 Y C T 140.56 7.08 10.20 18.77 94.96 -133.48 -64.68 -24.88 63.69 0.50 35.81 12.26 11.37 37.51 2.10 36.22 0.00 0.22 0.32 28 M C T 129.34 2.54 11.97 15.65 95.98 63.41 -83.22 -4.19 62.24 0.70 37.07 11.13 10.35 38.29 2.32 37.19 0.00 0.33 0.39 29 R C G 143.04 3.89 11.59 17.06 98.70 85.84 -80.47 -17.02 66.46 0.70 32.84 23.47 21.66 18.02 2.71 33.29 0.00 0.29 0.54 30 H C C 93.51 5.09 11.53 18.36 112.24 33.24 -118.19 101.95 97.83 0.33 1.84 72.54 24.13 1.20 1.26 0.46 0.00 0.08 0.32 31 P H H 82.04 5.32 11.15 18.53 93.66 -159.97 -61.23 -35.24 19.15 0.07 80.78 6.18 2.28 10.50 76.95 4.01 0.01 0.03 0.05 32 W H H 178.77 1.34 15.04 15.84 91.94 55.50 -65.16 -36.50 8.08 0.02 91.91 1.01 0.67 5.93 88.81 3.56 0.01 0.01 0.01 33 E H H 89.33 4.37 15.09 20.69 92.09 52.49 -65.75 -38.80 1.67 0.00 98.33 0.36 0.15 0.97 95.85 2.67 0.00 0.00 0.00 34 H H H 53.72 11.34 12.31 24.83 92.16 51.55 -64.54 -41.50 0.70 0.00 99.29 0.15 0.06 0.40 98.29 1.10 0.00 0.00 0.00 35 V H H 80.45 3.33 17.51 21.31 91.70 49.28 -64.56 -42.05 0.59 0.00 99.41 0.09 0.04 0.37 98.98 0.51 0.00 0.00 0.00 36 V H H 89.36 1.78 19.02 19.50 91.93 48.87 -64.64 -41.78 0.65 0.00 99.35 0.08 0.04 0.45 99.09 0.34 0.00 0.00 0.00 37 G H H 25.10 6.95 15.67 24.39 91.71 49.92 -64.11 -41.58 1.26 0.00 98.73 0.17 0.08 0.89 98.47 0.38 0.00 0.00 0.00 38 M H H 78.69 7.58 16.35 25.03 91.92 50.03 -64.79 -41.33 1.33 0.00 98.66 0.17 0.09 0.95 98.44 0.34 0.00 0.00 0.00 39 G H H 38.48 2.52 18.80 20.96 92.05 50.18 -63.98 -42.12 1.18 0.00 98.82 0.16 0.08 0.82 98.72 0.22 0.00 0.00 0.00 40 L H H 92.81 2.28 19.43 20.82 92.08 48.68 -64.87 -41.63 0.42 0.00 99.58 0.06 0.03 0.26 99.54 0.12 0.00 0.00 0.00 41 G H H 24.88 6.68 15.99 24.35 92.01 50.91 -63.64 -41.75 0.30 0.00 99.70 0.04 0.01 0.18 99.67 0.09 0.00 0.00 0.00 42 A H H 50.25 4.60 16.87 22.61 91.72 50.27 -63.73 -41.66 0.19 0.00 99.81 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 43 V H H 85.43 2.00 18.83 19.88 91.96 49.59 -64.03 -42.43 0.15 0.00 99.85 0.01 0.00 0.09 99.85 0.03 0.00 0.00 0.00 44 F H H 112.60 2.53 18.34 20.46 91.99 49.11 -64.30 -42.32 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 45 V H H 63.43 5.12 15.92 22.27 91.94 49.47 -63.97 -41.84 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 46 N H H 78.28 3.62 16.58 20.90 92.03 49.97 -64.66 -40.89 0.28 0.00 99.72 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 47 Q H H 97.79 2.14 17.39 19.06 92.03 50.37 -64.33 -41.59 0.32 0.00 99.68 0.02 0.01 0.22 99.68 0.06 0.00 0.00 0.00 48 L H H 84.67 2.93 16.55 19.83 92.11 49.93 -64.52 -41.37 0.30 0.00 99.70 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 49 L H H 78.28 3.99 15.50 20.55 91.92 50.50 -64.37 -41.09 0.38 0.00 99.61 0.06 0.02 0.25 99.56 0.11 0.00 0.00 0.00 50 K H H 120.30 1.98 17.01 18.63 91.79 50.29 -64.43 -40.85 0.54 0.00 99.46 0.09 0.04 0.34 99.40 0.12 0.00 0.00 0.00 51 W H H 136.78 2.23 16.53 18.58 92.12 49.71 -64.35 -41.66 0.47 0.00 99.53 0.09 0.04 0.28 99.48 0.11 0.00 0.00 0.00 52 E H H 95.97 3.35 16.00 20.03 92.03 49.92 -64.17 -41.21 0.42 0.00 99.58 0.09 0.04 0.24 99.54 0.09 0.00 0.00 0.00 53 A H H 53.08 2.59 15.89 18.90 91.65 50.77 -64.03 -41.28 0.59 0.00 99.41 0.11 0.05 0.35 99.38 0.11 0.00 0.00 0.00 54 Q H H 100.95 1.82 17.01 18.10 92.10 49.68 -64.52 -41.12 0.72 0.00 99.28 0.16 0.06 0.40 99.26 0.12 0.00 0.00 0.00 55 V H H 72.03 3.24 15.35 19.46 92.02 49.79 -64.19 -41.73 0.53 0.00 99.47 0.14 0.05 0.27 99.46 0.09 0.00 0.00 0.00 56 E H H 105.50 2.35 16.03 18.47 91.84 50.25 -64.09 -41.12 0.34 0.00 99.66 0.07 0.02 0.18 99.66 0.07 0.00 0.00 0.00 57 Q H H 101.14 1.64 16.52 17.31 91.94 49.92 -64.17 -41.23 0.33 0.00 99.66 0.06 0.02 0.19 99.67 0.06 0.00 0.00 0.00 58 D H H 78.81 2.27 15.93 18.19 91.92 49.60 -64.79 -40.68 0.43 0.00 99.57 0.08 0.02 0.24 99.59 0.07 0.00 0.00 0.00 59 L H H 82.55 3.04 14.86 18.76 91.86 49.99 -64.35 -41.20 0.26 0.00 99.74 0.04 0.02 0.14 99.75 0.05 0.00 0.00 0.00 60 D H H 83.17 1.83 15.90 17.31 91.79 50.48 -64.46 -40.48 0.27 0.00 99.73 0.05 0.01 0.14 99.76 0.04 0.00 0.00 0.00 61 K H H 115.13 1.67 15.97 17.00 91.96 50.23 -64.77 -41.06 0.36 0.00 99.64 0.05 0.02 0.20 99.68 0.06 0.00 0.00 0.00 62 M H H 95.61 2.61 15.11 18.19 91.95 50.13 -64.71 -41.36 0.34 0.00 99.66 0.05 0.02 0.18 99.69 0.06 0.00 0.00 0.00 63 L H H 90.79 2.27 15.03 17.58 91.82 49.82 -64.32 -40.93 0.40 0.00 99.60 0.07 0.03 0.20 99.64 0.06 0.00 0.00 0.00 64 E H H 110.20 1.63 15.80 16.78 91.83 50.42 -64.71 -40.90 0.54 0.00 99.46 0.10 0.03 0.28 99.51 0.08 0.00 0.00 0.00 65 K H H 123.64 1.73 15.84 17.17 92.09 49.57 -65.36 -40.30 0.77 0.00 99.23 0.14 0.06 0.42 99.27 0.11 0.00 0.00 0.00 66 A H H 55.27 2.74 14.61 18.12 91.73 50.33 -64.46 -41.01 1.10 0.00 98.89 0.23 0.08 0.58 98.94 0.17 0.00 0.00 0.00 67 K H H 119.72 1.76 16.19 17.44 91.85 50.38 -64.87 -40.33 1.71 0.00 98.29 0.36 0.14 0.92 98.31 0.27 0.00 0.00 0.00 68 A H H 54.04 2.24 15.26 17.76 91.75 50.44 -64.35 -40.43 2.39 0.01 97.60 0.53 0.23 1.33 97.44 0.47 0.00 0.00 0.00 69 A H H 51.64 2.70 14.10 17.79 91.74 51.05 -63.90 -40.88 3.51 0.01 96.48 0.85 0.38 1.95 96.02 0.80 0.00 0.00 0.00 70 N H H 88.37 2.02 14.49 16.68 92.23 50.64 -65.57 -39.51 6.67 0.03 93.29 1.89 0.77 3.75 91.93 1.62 0.01 0.01 0.01 71 E H H 112.74 1.73 13.61 15.38 92.29 51.89 -65.59 -38.90 10.11 0.06 89.83 2.74 1.25 5.98 86.49 3.47 0.01 0.03 0.03 72 R H H 139.50 2.06 12.11 14.92 92.72 52.89 -66.86 -36.91 15.79 0.12 84.08 4.72 2.04 8.83 77.84 6.43 0.02 0.06 0.06 73 R H H 151.55 1.82 11.37 14.01 93.40 56.09 -68.94 -33.03 26.23 0.28 73.49 7.62 3.28 15.06 65.28 8.44 0.03 0.14 0.15 74 Y H H 165.91 1.34 10.92 12.56 96.22 52.02 -77.51 -26.97 38.31 0.65 61.04 12.02 6.11 21.08 52.89 7.16 0.06 0.31 0.37 75 I C H 117.54 2.17 9.25 12.63 103.96 56.73 -90.15 6.51 56.84 1.61 41.55 21.90 15.03 21.75 35.52 4.15 0.08 0.60 0.98 76 D C C 109.22 2.13 9.53 13.00 105.73 85.07 -84.78 71.77 82.76 0.73 16.51 34.09 17.28 31.99 11.57 4.28 0.00 0.30 0.48 77 G C C 51.11 2.89 9.59 14.05 109.36 -23.14 81.57 14.65 86.81 0.58 12.61 38.83 19.95 28.43 4.86 7.25 0.00 0.24 0.45 78 D C C 111.53 2.46 9.19 13.19 103.60 -90.49 -85.72 19.43 77.06 0.67 22.28 39.78 17.54 19.25 4.37 18.30 0.00 0.29 0.48 79 D C C 109.74 2.32 8.97 12.87 106.33 106.63 -85.11 62.72 76.08 0.71 23.22 32.97 18.43 24.32 3.61 19.89 0.00 0.32 0.45 80 D C C 110.36 2.40 9.42 13.45 106.52 109.59 -87.69 79.28 82.92 0.65 16.43 62.87 3.95 16.55 2.95 12.98 0.00 0.35 0.34 81 I C C 102.75 6.29 9.43 17.19 106.47 157.91 -89.68 54.27 99.93 0.04 0.03 99.83 0.10 0.03 0.01 0.00 0.00 0.02 0.01