# 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 I C C 89.68 8.33 12.40 22.00 117.29 -159.53 -102.73 126.30 97.05 2.86 0.08 97.22 0.17 0.06 0.06 0.01 0.00 2.37 0.12 1 V C C 95.17 4.07 12.32 18.12 118.87 -163.52 -110.39 130.85 56.72 42.44 0.83 55.70 0.84 0.37 0.62 0.23 0.00 37.72 4.51 2 L C C 88.31 7.17 8.22 17.00 118.98 -150.01 -100.94 135.08 55.14 43.44 1.42 50.24 3.06 0.84 0.96 0.59 0.00 39.90 4.42 3 N C C 88.98 3.35 11.05 15.93 118.03 -136.11 -87.27 152.15 73.06 24.42 2.52 65.00 5.38 1.80 1.47 1.09 0.00 22.01 3.24 4 R C T 171.42 2.62 9.32 13.54 95.95 -114.58 -67.78 -23.46 68.41 5.13 26.46 19.62 17.71 32.35 12.84 12.14 0.12 3.72 1.52 5 T C T 102.60 1.57 9.81 12.10 99.58 63.08 -81.34 -14.97 72.18 2.89 24.93 19.75 17.64 35.74 11.91 11.91 0.07 1.68 1.28 6 Q C C 114.55 3.68 8.72 13.98 103.65 64.91 -87.50 14.25 72.12 4.48 23.40 32.84 18.92 21.56 10.21 11.99 0.06 2.30 2.12 7 R C C 147.58 4.33 8.15 14.21 106.61 106.82 -80.04 89.97 82.48 4.00 13.52 44.34 17.67 21.09 6.96 5.97 0.01 2.14 1.81 8 K C C 161.60 1.29 10.31 12.12 102.20 111.17 -85.88 -2.22 89.49 4.24 6.27 37.70 37.55 14.94 2.52 3.27 0.01 2.26 1.76 9 T C S 90.29 2.86 9.55 13.98 119.12 58.10 -110.53 136.32 93.98 4.46 1.55 41.56 50.61 2.37 0.72 0.71 0.00 2.48 1.54 10 P C C 90.45 4.54 9.33 15.63 111.73 -110.14 -70.38 142.53 89.48 5.15 5.37 69.45 11.27 8.67 1.76 3.59 0.00 4.22 1.03 11 T C C 92.30 4.62 9.52 15.86 113.41 -151.60 -97.57 126.26 69.88 23.14 6.98 41.79 18.93 10.38 2.10 4.83 0.03 18.95 2.99 12 V C E 106.63 2.77 11.18 15.54 116.47 -155.96 -100.75 126.98 50.12 46.04 3.84 35.80 11.04 3.60 1.96 2.28 0.04 37.67 7.60 13 I C C 100.31 6.67 7.70 15.91 117.47 -158.85 -100.45 131.92 56.55 42.17 1.28 45.10 8.87 1.05 0.86 0.69 0.01 32.26 11.18 14 R C C 150.31 2.59 9.78 14.01 115.44 -123.10 -82.92 141.53 95.52 4.20 0.27 90.79 4.43 0.48 0.12 0.12 0.00 3.26 0.79 15 P C T 120.55 1.29 9.72 12.05 104.90 -103.52 -61.78 134.28 95.32 0.78 3.91 3.67 4.63 87.67 1.18 2.08 0.00 0.51 0.26 16 G C T 64.80 0.63 10.99 10.81 96.84 35.04 73.28 -1.20 95.37 0.41 4.22 3.82 5.00 87.08 1.48 2.22 0.00 0.27 0.14 17 F C C 94.82 7.68 7.04 16.12 113.61 124.53 -80.07 134.27 88.87 3.89 7.24 74.10 11.95 2.67 4.41 2.82 0.00 1.94 2.10 18 K C C 150.49 1.59 12.66 14.62 108.84 -143.25 -90.39 111.87 81.17 7.74 11.09 73.24 4.36 3.05 9.48 2.09 0.00 4.12 3.66 19 I H H 87.50 7.80 8.33 17.22 103.20 -159.78 -80.57 7.97 46.58 3.89 49.53 39.34 4.12 4.13 41.63 7.11 0.01 2.91 0.76 20 T H H 96.42 1.90 12.47 14.99 95.45 109.51 -73.23 -31.70 30.07 6.20 63.73 20.45 4.72 5.91 52.72 9.65 0.04 5.75 0.76 21 R H H 146.88 2.23 12.15 15.23 98.59 56.71 -74.15 -32.49 20.86 10.47 68.67 13.24 3.49 5.06 56.71 9.79 0.07 10.76 0.88 22 I H H 79.15 6.30 10.29 18.24 97.05 62.11 -70.91 -36.51 14.88 7.93 77.19 10.75 2.26 3.03 68.44 6.65 0.02 8.22 0.61 23 R H H 132.87 3.28 12.56 17.07 95.86 56.05 -69.47 -37.51 13.71 5.60 80.69 9.37 2.04 3.29 72.45 6.45 0.03 5.96 0.43 24 A H H 61.20 2.89 12.56 16.33 96.26 54.15 -68.94 -37.43 14.97 4.62 80.41 8.14 2.34 5.12 71.42 7.59 0.05 4.90 0.43 25 F H H 114.40 3.52 11.34 16.30 96.19 52.21 -70.14 -37.72 16.72 3.97 79.32 8.40 2.72 6.32 70.41 7.67 0.07 3.92 0.49 26 Y H H 134.54 3.71 10.59 15.81 97.64 51.89 -75.15 -29.11 21.88 5.15 72.97 11.78 3.70 7.71 65.14 6.20 0.10 4.58 0.79 27 M H H 118.96 2.94 10.37 14.66 98.23 58.56 -75.71 -22.64 32.83 4.81 62.36 16.74 5.21 12.00 55.38 5.81 0.10 3.91 0.86 28 R H H 163.02 2.11 10.26 13.61 99.61 65.38 -77.66 -18.75 44.54 5.27 50.19 16.65 8.53 19.67 43.65 6.14 0.16 4.29 0.91 29 K C H 151.11 1.90 10.93 13.81 102.16 61.64 -86.35 8.31 53.63 7.28 39.09 23.92 10.19 19.62 33.47 5.76 0.12 5.75 1.17 30 V C C 81.42 6.76 7.80 16.12 114.59 104.20 -96.36 125.91 63.72 11.40 24.88 45.18 9.37 7.99 22.45 3.95 0.04 9.22 1.80 31 K C C 151.02 1.95 11.73 14.73 113.39 -159.05 -98.67 119.89 68.41 13.29 18.30 52.95 6.78 6.99 16.34 3.54 0.01 11.26 2.12 32 Y C C 144.60 4.89 9.08 15.73 112.81 -154.09 -95.64 125.21 65.07 14.84 20.09 47.42 8.42 8.02 16.86 4.59 0.05 11.55 3.09 33 T C C 92.27 3.32 9.90 14.77 109.90 -161.71 -97.25 115.66 74.29 7.37 18.35 50.95 10.82 11.50 14.84 4.65 0.02 5.31 1.91 34 G C C 52.91 2.98 10.55 14.86 101.67 -130.78 -75.47 -2.22 69.78 4.55 25.67 32.53 20.38 17.39 17.88 7.53 0.06 2.69 1.53 35 E C S 134.60 2.39 11.38 15.03 105.36 90.42 -86.33 37.27 72.22 2.04 25.74 20.21 27.12 25.27 19.19 6.19 0.06 1.03 0.93 36 G C C 37.11 4.17 12.51 17.94 111.89 23.76 -91.24 89.23 68.59 2.20 29.21 36.00 16.92 15.93 23.86 5.23 0.03 0.97 1.06 37 M H H 103.09 4.60 11.17 17.34 95.26 -77.49 -65.16 -38.64 11.34 0.21 88.45 6.12 2.53 3.56 84.18 3.42 0.01 0.11 0.07 38 P H H 83.99 2.48 13.55 16.70 93.08 53.30 -65.12 -39.74 7.78 0.24 91.98 3.43 1.24 3.55 86.90 4.64 0.02 0.17 0.06 39 E H H 110.40 2.02 14.91 16.89 92.92 50.58 -66.65 -39.88 5.14 0.22 94.64 2.42 0.82 2.27 89.53 4.73 0.01 0.18 0.04 40 I H H 86.38 3.62 13.96 18.66 92.51 50.45 -66.00 -41.29 5.80 0.26 93.94 2.84 0.94 2.45 90.64 2.87 0.01 0.19 0.05 41 L H H 82.00 3.83 14.20 19.26 92.50 49.58 -65.97 -40.55 6.21 0.28 93.52 3.12 0.96 2.59 91.82 1.25 0.01 0.18 0.06 42 D H H 86.83 2.19 15.88 18.06 92.17 50.98 -65.01 -39.79 4.43 0.14 95.43 2.16 0.61 1.78 94.76 0.57 0.00 0.08 0.04 43 G H H 34.35 2.75 15.54 18.89 92.25 50.70 -64.24 -41.45 4.11 0.10 95.79 1.53 0.56 2.10 95.16 0.54 0.01 0.05 0.04 44 K H H 111.82 2.87 15.83 19.19 92.29 50.46 -65.99 -40.55 2.06 0.04 97.90 0.82 0.26 0.95 97.64 0.31 0.00 0.02 0.01 45 N H H 75.62 3.14 14.92 18.97 92.00 51.75 -64.58 -40.98 1.04 0.03 98.93 0.47 0.11 0.43 98.80 0.17 0.00 0.01 0.01 46 V H H 85.67 1.78 16.28 17.38 91.95 50.56 -64.82 -41.23 0.61 0.02 99.37 0.27 0.05 0.26 99.30 0.10 0.00 0.01 0.00 47 Y H H 121.22 2.16 15.49 17.63 92.04 50.21 -64.29 -42.16 0.48 0.02 99.50 0.20 0.04 0.21 99.44 0.09 0.00 0.01 0.00 48 I H H 85.93 2.78 14.63 18.12 92.07 49.29 -64.48 -42.15 0.42 0.01 99.56 0.17 0.04 0.19 99.52 0.08 0.00 0.01 0.00 49 R H H 132.83 1.90 15.18 16.99 91.90 50.32 -64.44 -41.03 0.45 0.01 99.54 0.14 0.04 0.22 99.54 0.06 0.00 0.00 0.00 50 N H H 91.04 1.59 15.66 16.52 92.07 49.72 -64.92 -40.68 0.78 0.00 99.21 0.18 0.06 0.44 99.25 0.06 0.00 0.00 0.00 51 R H H 132.02 2.03 15.17 17.16 92.09 50.26 -64.69 -40.60 0.80 0.00 99.19 0.17 0.07 0.46 99.23 0.07 0.00 0.00 0.00 52 Q H H 96.05 2.70 14.29 17.75 91.87 50.84 -64.96 -40.34 0.67 0.00 99.33 0.16 0.05 0.35 99.37 0.06 0.00 0.00 0.00 53 K H H 123.63 1.64 15.45 16.62 91.94 50.81 -64.98 -40.14 0.56 0.00 99.43 0.14 0.04 0.29 99.48 0.05 0.00 0.00 0.00 54 T H H 77.60 1.75 15.28 16.58 92.00 50.08 -65.33 -40.89 0.48 0.00 99.52 0.11 0.03 0.25 99.55 0.05 0.00 0.00 0.00 55 M H H 98.14 2.19 14.50 16.93 92.23 49.86 -64.95 -41.54 0.48 0.00 99.52 0.11 0.04 0.24 99.55 0.06 0.00 0.00 0.00 56 I H H 92.72 2.17 14.24 16.71 92.25 49.94 -64.52 -41.85 0.53 0.00 99.47 0.12 0.04 0.28 99.48 0.08 0.00 0.00 0.00 57 A H H 60.04 1.81 14.60 16.24 92.01 50.10 -64.30 -41.39 0.94 0.00 99.05 0.17 0.07 0.57 99.04 0.16 0.00 0.00 0.00 58 E H H 105.25 1.85 14.37 16.13 92.31 50.28 -65.62 -40.05 2.03 0.01 97.96 0.33 0.17 1.32 97.77 0.40 0.00 0.00 0.00 59 A H H 55.31 2.74 12.34 16.28 92.39 51.54 -65.65 -38.93 5.36 0.02 94.61 0.86 0.50 3.71 94.02 0.87 0.01 0.01 0.01 60 R H H 151.62 1.61 12.58 14.42 93.23 52.52 -68.21 -35.38 14.77 0.09 85.14 2.36 1.55 10.65 83.92 1.41 0.02 0.04 0.05 61 N H H 105.57 1.71 11.77 13.78 95.71 53.61 -72.16 -28.12 32.78 0.38 66.84 9.11 4.98 19.28 64.10 2.12 0.03 0.16 0.21 62 R H H 158.90 1.82 10.22 13.04 97.76 61.38 -72.95 -24.42 39.48 0.70 59.81 18.62 7.69 14.36 54.50 4.14 0.02 0.30 0.36 63 K H H 145.15 1.71 10.10 12.72 98.33 66.17 -74.73 -27.71 40.18 0.77 59.04 19.74 7.01 14.32 50.09 8.07 0.02 0.39 0.37 64 S H H 76.40 2.25 9.56 12.99 102.55 60.05 -82.13 -6.29 43.73 0.97 55.30 22.23 6.97 15.28 44.41 10.14 0.03 0.50 0.45 65 L H H 116.24 2.55 8.32 12.50 104.67 74.16 -84.63 29.30 46.21 1.59 52.20 25.09 8.79 13.62 40.60 10.32 0.04 0.79 0.74 66 K C H 154.12 1.53 9.11 11.79 105.31 78.21 -85.75 52.93 53.80 2.01 44.18 27.25 10.35 17.57 34.22 8.60 0.07 0.97 0.98 67 N C C 118.94 2.08 7.83 11.46 108.21 76.65 -89.42 94.18 64.28 1.63 34.09 31.47 12.66 21.02 24.16 9.02 0.03 0.74 0.90 68 K C C 151.81 1.78 7.92 11.17 111.30 117.27 -92.80 115.08 66.90 2.14 30.97 33.02 14.18 20.31 17.45 12.85 0.03 1.02 1.15 69 A C C 87.32 1.71 7.51 10.73 110.46 -127.98 -83.01 122.93 73.53 3.13 23.33 32.94 19.01 22.63 10.40 12.00 0.03 1.64 1.35 70 I C C 140.27 1.28 7.21 9.82 112.29 -136.94 -93.22 121.07 73.11 10.78 16.11 37.48 18.81 17.74 6.95 8.66 0.09 6.41 3.87 71 M C C 134.77 2.13 6.19 10.31 116.53 -148.98 -94.46 132.42 90.29 8.91 0.80 51.72 38.26 1.32 0.38 0.40 0.00 5.71 2.22 72 P C C 111.66 1.45 7.59 10.55 111.54 -108.63 -67.49 144.98 94.10 5.35 0.55 92.32 0.99 1.07 0.21 0.19 0.00 4.13 1.09 73 R C C 181.31 1.83 9.03 12.53 108.76 -118.01 -80.36 125.68 99.82 0.15 0.03 99.69 0.14 0.06 0.01 0.00 0.00 0.07 0.03