# 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 115.91 5.64 9.84 16.99 113.53 -158.71 -93.43 130.49 99.93 0.06 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.01 1 T C C 98.35 2.81 8.80 13.35 114.51 -160.51 -96.47 136.66 93.62 4.59 1.80 91.79 0.89 1.65 0.80 0.52 0.00 2.81 1.54 2 Q C C 136.82 2.10 8.26 12.01 110.22 -149.74 -90.39 111.80 87.54 8.68 3.78 67.18 14.82 5.46 1.53 2.20 0.00 6.03 2.77 3 H C C 136.93 2.96 7.77 12.57 111.61 -155.19 -92.56 123.34 85.58 9.23 5.18 66.27 12.58 6.54 1.92 3.25 0.00 6.52 2.92 4 K C C 147.59 2.59 8.17 12.55 112.11 -161.58 -95.78 120.10 83.96 7.27 8.77 52.95 16.07 15.29 2.84 5.69 0.01 4.65 2.52 5 S C C 85.61 2.32 8.66 12.50 108.87 -130.31 -89.96 104.92 87.03 3.30 9.68 39.37 22.11 26.36 2.08 7.06 0.00 1.93 1.09 6 S C C 85.66 2.21 9.42 12.94 106.35 34.09 -93.54 20.46 86.26 4.50 9.25 36.63 26.07 24.47 1.93 6.79 0.00 2.91 1.19 7 M C C 111.28 5.39 8.78 15.90 115.23 118.97 -93.73 131.17 77.69 16.22 6.09 45.99 18.85 13.74 1.38 4.63 0.01 13.00 2.39 8 V C C 97.64 3.70 11.90 17.31 118.09 -158.54 -105.92 127.81 68.26 30.06 1.68 54.90 10.40 2.38 0.76 1.06 0.01 26.14 4.35 9 Y C C 116.11 8.91 10.65 20.84 117.90 -154.83 -102.15 132.29 66.79 32.67 0.54 60.12 5.11 0.67 0.30 0.29 0.00 29.19 4.32 10 I C C 93.34 5.61 15.34 22.59 121.16 -167.52 -116.85 131.36 76.60 23.26 0.14 73.63 2.97 0.14 0.09 0.06 0.00 21.53 1.58 11 P C C 54.05 10.86 11.78 23.80 114.64 -111.65 -66.34 146.07 84.23 15.21 0.56 82.30 1.80 0.36 0.40 0.14 0.00 13.28 1.73 12 T C C 53.35 6.30 13.03 21.14 118.71 -124.48 -80.57 163.40 93.28 2.45 4.27 89.56 2.82 0.81 4.40 0.35 0.00 1.02 1.04 13 T H H 96.12 2.90 13.05 17.20 92.85 -108.35 -60.48 -36.34 6.76 0.07 93.18 3.00 1.66 2.58 90.94 1.76 0.01 0.03 0.03 14 K H H 133.08 1.47 14.82 15.84 92.39 53.27 -65.62 -39.71 3.65 0.05 96.30 1.19 0.56 1.93 94.23 2.05 0.01 0.02 0.01 15 E H H 64.25 6.70 12.27 21.01 92.58 49.51 -66.64 -39.02 2.62 0.04 97.34 0.97 0.37 1.31 94.83 2.47 0.00 0.03 0.01 16 A H H 38.19 7.86 11.22 20.99 92.53 52.64 -64.43 -39.71 3.67 0.05 96.28 1.28 0.51 1.86 94.43 1.87 0.01 0.03 0.02 17 K H H 130.98 1.74 14.25 16.07 92.69 51.92 -66.66 -37.08 11.29 0.17 88.54 3.55 1.39 6.45 86.58 1.87 0.02 0.08 0.07 18 R H H 149.55 2.07 13.42 16.03 93.84 51.44 -69.78 -33.52 17.73 0.22 82.05 5.38 2.70 9.90 79.74 2.05 0.03 0.09 0.11 19 R H H 125.69 5.96 10.64 18.04 98.18 53.71 -81.30 -16.28 34.30 0.38 65.32 11.24 5.79 17.65 62.86 2.07 0.03 0.14 0.22 20 N C T 106.37 3.41 11.05 15.88 100.60 66.41 -83.83 1.21 67.43 0.57 32.00 20.57 14.00 32.21 30.29 2.36 0.02 0.19 0.37 21 G C C 55.26 2.35 11.17 14.63 104.35 -47.55 70.08 5.52 92.25 0.56 7.19 45.20 19.19 28.23 4.26 2.52 0.00 0.22 0.38 22 K C C 145.60 2.45 10.18 14.08 105.37 87.13 -89.71 29.94 91.41 0.82 7.77 61.96 17.18 12.28 4.35 3.26 0.00 0.33 0.64 23 S C C 76.20 3.26 9.14 14.07 111.34 75.53 -89.43 133.66 84.04 0.79 15.17 44.57 19.99 19.79 9.05 5.68 0.00 0.31 0.61 24 E C C 145.55 2.06 10.42 13.73 104.99 -126.70 -83.92 26.61 71.76 0.62 27.62 29.29 20.10 23.14 20.22 6.54 0.01 0.22 0.48 25 G C H 45.96 2.94 11.79 15.77 109.11 48.28 -36.72 -102.46 56.54 0.86 42.59 25.08 17.93 14.92 35.75 5.42 0.03 0.31 0.54 26 I H H 110.54 2.74 11.66 15.36 97.77 33.42 -73.01 -32.43 33.11 0.84 66.05 18.23 8.23 8.09 61.40 3.30 0.02 0.37 0.36 27 L H H 84.87 4.82 11.88 18.21 95.91 57.60 -69.35 -36.82 22.52 0.43 77.05 15.16 3.67 4.38 74.31 2.13 0.00 0.20 0.14 28 N H H 82.98 4.10 13.75 19.02 96.25 55.00 -69.22 -37.63 14.53 0.20 85.27 10.56 1.95 2.74 83.03 1.55 0.00 0.10 0.06 29 T H H 78.41 2.97 14.67 18.31 93.99 52.29 -66.31 -39.40 6.57 0.13 93.30 3.96 0.89 2.10 91.72 1.22 0.00 0.07 0.04 30 I H H 87.94 3.85 15.12 19.79 92.75 50.26 -65.41 -41.02 2.18 0.03 97.80 0.97 0.31 0.93 97.11 0.67 0.00 0.01 0.00 31 E H H 85.92 5.04 14.86 21.27 92.32 51.02 -64.43 -40.72 0.88 0.00 99.12 0.30 0.10 0.40 98.95 0.25 0.00 0.00 0.00 32 E H H 100.62 3.05 16.48 20.00 92.20 50.85 -64.92 -40.51 0.68 0.00 99.32 0.18 0.06 0.37 99.24 0.15 0.00 0.00 0.00 33 V H H 75.06 3.41 16.50 20.49 92.22 50.32 -64.42 -42.10 0.50 0.00 99.49 0.12 0.04 0.27 99.47 0.09 0.00 0.00 0.00 34 V H H 63.97 5.58 15.79 22.63 92.02 49.74 -64.35 -41.78 0.33 0.00 99.66 0.08 0.03 0.17 99.66 0.05 0.00 0.00 0.00 35 E H H 92.74 4.37 16.93 22.13 92.01 50.79 -64.42 -40.83 0.27 0.00 99.73 0.05 0.02 0.15 99.73 0.05 0.00 0.00 0.00 36 K H H 112.58 2.73 17.58 20.37 92.04 50.42 -64.98 -40.79 0.49 0.00 99.51 0.05 0.03 0.36 99.49 0.08 0.00 0.00 0.00 37 L H H 72.50 5.65 16.07 22.86 92.32 49.84 -65.11 -41.69 0.80 0.00 99.20 0.07 0.04 0.62 99.16 0.11 0.00 0.00 0.00 38 Y H H 99.75 6.46 15.89 23.42 92.18 50.24 -64.40 -41.90 1.60 0.01 98.40 0.22 0.14 1.17 98.13 0.34 0.00 0.00 0.00 39 W H H 136.17 2.99 17.28 20.42 92.42 50.14 -65.07 -40.83 1.64 0.01 98.36 0.18 0.12 1.28 97.67 0.74 0.01 0.00 0.00 40 T H H 61.24 4.63 16.29 22.00 92.34 50.89 -65.16 -40.75 1.22 0.00 98.78 0.12 0.08 0.96 97.78 1.06 0.00 0.00 0.00 41 Y H H 90.72 8.59 14.54 24.20 92.66 50.56 -66.54 -39.71 1.59 0.01 98.41 0.13 0.10 1.28 96.70 1.78 0.00 0.00 0.00 42 Y H H 117.91 5.45 15.58 21.86 93.16 50.42 -67.39 -37.22 3.77 0.01 96.22 0.23 0.20 3.26 93.00 3.29 0.01 0.00 0.00 43 I H H 102.21 3.06 16.37 19.65 94.34 46.26 -72.11 -36.38 17.16 0.02 82.82 0.40 0.63 16.68 79.41 2.83 0.03 0.01 0.01 44 H H H 87.21 7.56 13.98 22.74 97.54 44.51 -93.24 -15.92 38.10 0.06 61.84 1.88 2.24 33.23 58.76 3.79 0.03 0.02 0.05 45 L H H 66.09 9.73 12.59 23.58 93.67 82.93 -63.44 -40.60 24.58 0.17 75.25 10.76 5.18 9.00 59.89 14.99 0.02 0.07 0.10 46 P H H 77.25 3.32 16.14 19.91 92.53 53.74 -65.07 -34.56 14.66 0.10 85.23 3.14 1.63 8.87 65.75 20.49 0.02 0.06 0.05 47 F H H 100.26 5.44 14.81 21.40 94.14 52.56 -70.43 -33.47 7.47 0.08 92.45 1.32 0.81 4.64 71.78 21.36 0.02 0.06 0.02 48 Y H H 89.55 10.15 12.31 23.35 92.99 57.10 -66.09 -36.86 7.06 0.11 92.83 1.28 0.89 4.39 74.30 19.01 0.02 0.08 0.03 49 L H H 109.48 3.32 14.49 18.74 93.01 53.68 -71.49 -25.44 20.79 0.14 79.07 1.73 1.78 16.11 64.51 15.65 0.07 0.08 0.07 50 M H H 127.02 2.29 13.90 16.67 97.57 52.86 -86.91 -5.37 43.28 0.44 56.28 5.83 5.69 31.21 45.38 11.27 0.12 0.21 0.29 51 A C C 45.23 10.43 9.11 20.34 114.47 92.79 -88.06 147.18 80.53 1.43 18.04 36.62 31.78 11.55 16.27 2.31 0.01 0.43 1.02 52 S C C 62.52 2.93 15.29 18.53 119.13 -121.17 -85.88 166.92 86.47 1.34 12.19 54.80 25.89 4.63 12.34 1.06 0.00 0.36 0.93 53 F H H 141.02 3.51 12.79 17.77 92.89 -96.41 -61.97 -37.59 8.09 0.04 91.86 2.04 1.97 4.13 90.90 0.91 0.01 0.01 0.03 54 D H H 91.16 2.39 15.76 18.33 92.60 53.04 -65.35 -39.14 4.46 0.03 95.51 1.16 0.60 2.53 94.91 0.77 0.00 0.01 0.01 55 S H H 30.14 8.50 13.43 23.95 92.01 51.73 -64.79 -40.56 1.29 0.01 98.70 0.43 0.16 0.62 98.25 0.52 0.00 0.00 0.00 56 F H H 82.29 8.64 14.74 24.58 92.08 51.70 -63.70 -41.89 0.34 0.00 99.65 0.11 0.04 0.16 99.55 0.14 0.00 0.00 0.00 57 F H H 116.56 2.60 17.94 20.38 91.78 49.85 -64.39 -41.94 0.26 0.00 99.74 0.07 0.02 0.14 99.69 0.08 0.00 0.00 0.00 58 L H H 79.09 4.08 17.93 22.57 91.61 49.42 -64.26 -42.36 0.24 0.00 99.76 0.04 0.02 0.14 99.74 0.05 0.00 0.00 0.00 59 H H H 54.83 11.10 15.54 27.76 92.01 49.93 -64.28 -41.98 0.33 0.00 99.66 0.05 0.02 0.21 99.67 0.04 0.00 0.00 0.00 60 V H H 62.66 6.79 17.09 25.03 92.00 50.27 -64.11 -41.80 0.23 0.00 99.76 0.04 0.02 0.14 99.77 0.03 0.00 0.00 0.00 61 F H H 117.48 2.29 18.96 20.55 91.90 49.75 -64.49 -41.79 0.11 0.00 99.89 0.01 0.01 0.07 99.88 0.02 0.00 0.00 0.00 62 F H H 88.07 6.03 17.26 24.31 92.00 49.16 -64.91 -42.05 0.09 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 63 L H H 54.79 10.20 15.42 26.72 91.96 50.42 -64.31 -41.40 0.15 0.00 99.85 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 64 T H H 67.43 4.26 17.41 22.41 91.97 50.55 -64.58 -41.74 0.31 0.00 99.69 0.03 0.02 0.21 99.66 0.08 0.00 0.00 0.00 65 I H H 93.03 2.77 18.04 20.63 91.95 49.13 -65.09 -42.05 0.62 0.00 99.38 0.06 0.03 0.45 99.26 0.19 0.00 0.00 0.00 66 F H H 85.79 6.80 16.15 24.13 92.38 48.56 -65.91 -41.28 2.07 0.01 97.92 0.19 0.13 1.63 97.47 0.56 0.00 0.01 0.00 67 S H H 41.90 8.26 14.67 24.31 92.44 50.34 -65.91 -39.32 8.57 0.06 91.36 0.75 0.57 7.12 90.28 1.20 0.02 0.04 0.02 68 L H H 98.52 2.78 16.68 19.72 92.66 51.29 -67.75 -37.09 20.82 0.25 78.93 3.17 2.33 15.54 75.99 2.66 0.07 0.11 0.13 69 S H H 59.92 3.36 15.78 19.76 93.65 52.11 -68.85 -36.51 33.15 0.61 66.24 5.73 3.62 23.83 63.28 2.86 0.10 0.31 0.28 70 F H H 97.43 5.58 14.77 21.39 93.57 51.26 -67.41 -40.58 22.60 0.59 76.82 4.99 2.84 15.12 73.81 2.57 0.11 0.31 0.25 71 F H H 104.90 4.23 15.23 20.44 92.89 51.27 -65.29 -40.96 6.22 0.18 93.60 1.89 0.98 3.60 91.26 2.09 0.03 0.11 0.05 72 G H H 33.85 2.93 14.94 18.77 92.14 51.89 -63.65 -41.19 4.15 0.11 95.74 1.06 0.47 2.59 93.62 2.13 0.01 0.09 0.02 73 I H H 88.69 2.91 14.86 18.44 92.41 49.78 -65.30 -41.53 1.97 0.13 97.91 0.42 0.20 1.30 95.99 1.94 0.01 0.12 0.01 74 L H H 79.42 4.14 13.19 18.64 92.42 50.16 -65.36 -40.71 1.49 0.13 98.38 0.28 0.14 1.00 96.05 2.38 0.01 0.13 0.01 75 K H H 113.52 2.94 12.69 16.70 92.53 52.59 -65.01 -38.32 2.41 0.11 97.48 0.29 0.16 1.79 92.06 5.57 0.00 0.12 0.01 76 Y H H 149.69 1.79 11.68 14.09 93.35 51.23 -67.87 -35.81 4.46 0.05 95.50 0.31 0.23 3.68 88.84 6.88 0.01 0.04 0.01 77 C H H 90.90 2.10 10.30 13.29 94.41 51.56 -72.27 -28.94 15.42 0.08 84.50 0.95 0.85 13.40 80.18 4.52 0.03 0.04 0.04 78 F H H 147.17 2.21 9.11 12.40 98.71 49.18 -85.95 -12.23 47.29 0.65 52.07 15.31 1.70 29.29 50.26 2.74 0.01 0.25 0.45 79 L C C 111.86 3.45 10.17 15.31 101.30 79.26 -77.84 13.15 99.95 0.03 0.02 99.86 0.05 0.05 0.01 0.00 0.00 0.01 0.00