# 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 A C C 70.98 4.14 11.23 16.80 111.00 -129.46 -79.15 143.15 99.91 0.03 0.06 99.79 0.10 0.06 0.03 0.00 0.00 0.01 0.01 1 S C C 80.12 2.43 9.47 13.30 108.75 -135.55 -81.43 132.63 75.56 0.55 23.89 68.61 1.29 5.49 22.58 1.48 0.00 0.21 0.34 2 N C H 117.27 2.01 9.07 12.30 103.02 38.09 -80.70 -9.08 49.77 0.64 49.59 29.19 9.66 11.58 45.45 3.52 0.01 0.24 0.35 3 N H H 109.77 2.14 9.89 13.11 98.81 70.97 -74.09 -29.33 34.13 0.47 65.40 18.49 7.34 9.86 59.83 4.03 0.01 0.20 0.23 4 T H H 91.92 1.94 11.15 13.83 95.30 62.25 -68.41 -35.58 19.99 0.30 79.71 10.28 4.16 6.70 75.01 3.57 0.01 0.13 0.12 5 A H H 65.67 2.08 12.05 14.79 93.89 53.76 -67.24 -37.51 17.67 0.24 82.09 9.30 3.28 5.77 78.93 2.50 0.01 0.11 0.10 6 S H H 62.68 2.29 12.82 15.71 93.72 53.17 -66.84 -40.15 13.20 0.17 86.62 7.78 2.31 3.71 84.71 1.35 0.00 0.07 0.07 7 I H H 96.86 2.17 13.35 15.96 92.86 50.83 -65.46 -41.41 3.27 0.03 96.70 1.46 0.54 1.24 96.25 0.50 0.00 0.01 0.01 8 A H H 57.76 1.99 14.15 16.37 91.87 50.92 -63.78 -41.54 1.83 0.01 98.16 0.72 0.22 0.79 97.90 0.36 0.00 0.00 0.00 9 Q H H 104.98 1.72 14.91 16.32 92.20 49.52 -65.29 -40.80 1.49 0.01 98.50 0.54 0.18 0.69 98.30 0.29 0.00 0.00 0.00 10 A H H 57.14 2.41 13.97 17.02 91.80 50.64 -63.94 -41.14 1.14 0.00 98.85 0.39 0.11 0.54 98.77 0.19 0.00 0.00 0.00 11 R H H 140.88 1.75 14.81 16.49 91.68 50.46 -64.74 -40.23 0.80 0.00 99.20 0.22 0.07 0.40 99.19 0.12 0.00 0.00 0.00 12 K H H 122.85 1.57 15.25 16.32 92.01 50.37 -64.94 -40.78 0.63 0.00 99.36 0.15 0.05 0.33 99.38 0.09 0.00 0.00 0.00 13 L H H 92.05 1.79 15.06 16.57 91.88 49.98 -64.40 -41.56 0.52 0.00 99.48 0.11 0.04 0.28 99.49 0.08 0.00 0.00 0.00 14 V H H 80.30 2.12 14.71 16.98 91.70 49.48 -64.25 -41.73 0.40 0.00 99.60 0.08 0.03 0.21 99.62 0.06 0.00 0.00 0.00 15 E H H 104.52 1.83 15.07 16.72 91.53 50.38 -64.02 -41.08 0.41 0.00 99.59 0.07 0.03 0.23 99.60 0.07 0.00 0.00 0.00 16 Q H H 104.48 1.56 15.05 16.07 91.74 50.29 -64.65 -40.97 0.59 0.00 99.41 0.09 0.04 0.35 99.42 0.10 0.00 0.00 0.00 17 L H H 95.50 1.84 14.38 16.20 91.77 50.29 -64.83 -40.73 0.74 0.00 99.26 0.12 0.05 0.44 99.21 0.17 0.00 0.00 0.00 18 K H H 125.54 1.76 14.55 16.34 91.67 50.55 -64.23 -40.53 1.18 0.00 98.82 0.20 0.09 0.73 98.67 0.31 0.00 0.00 0.00 19 M H H 108.88 1.50 15.13 15.98 92.00 49.71 -65.01 -40.83 2.30 0.01 97.69 0.36 0.19 1.52 97.27 0.65 0.00 0.00 0.00 20 E H H 111.84 1.60 15.04 16.14 92.00 49.93 -65.41 -39.73 5.23 0.02 94.75 0.77 0.48 3.60 94.11 1.02 0.01 0.00 0.01 21 A H H 53.99 2.88 13.30 17.31 92.32 51.49 -65.77 -38.68 16.71 0.06 83.23 2.53 1.78 11.89 82.14 1.59 0.01 0.02 0.04 22 N H H 91.44 2.15 14.78 17.01 93.39 52.17 -67.06 -37.50 33.02 0.14 66.85 7.37 3.03 21.98 65.49 1.98 0.01 0.05 0.09 23 I H H 99.03 1.81 14.75 16.28 92.94 52.64 -65.63 -41.31 17.06 0.13 82.81 5.96 3.35 7.99 80.73 1.84 0.01 0.05 0.07 24 D H H 87.01 2.07 14.47 16.67 92.74 49.84 -66.47 -40.51 12.72 0.11 87.17 5.77 1.80 5.14 85.61 1.57 0.00 0.05 0.05 25 R H H 139.90 1.99 14.26 16.48 92.39 50.99 -65.50 -40.09 6.93 0.05 93.01 2.73 1.00 3.21 91.68 1.33 0.00 0.02 0.03 26 I H H 98.45 1.76 14.94 16.39 92.12 49.95 -65.14 -41.33 3.71 0.04 96.25 1.56 0.54 1.59 95.58 0.69 0.00 0.02 0.01 27 K H H 119.44 1.87 15.46 17.14 92.18 50.07 -65.05 -40.67 2.74 0.04 97.22 1.25 0.36 1.16 96.72 0.48 0.00 0.02 0.01 28 V H H 81.10 2.60 14.87 17.91 92.04 49.57 -64.47 -41.73 1.47 0.01 98.52 0.55 0.18 0.67 98.31 0.28 0.00 0.00 0.00 29 S H H 61.06 2.18 15.81 17.99 91.91 50.51 -64.53 -40.98 1.18 0.01 98.81 0.39 0.12 0.57 98.73 0.20 0.00 0.00 0.00 30 K H H 124.81 1.59 16.95 17.66 92.13 49.63 -65.31 -40.94 0.91 0.00 99.09 0.22 0.09 0.52 99.02 0.14 0.00 0.00 0.00 31 A H H 53.24 2.66 15.58 18.69 91.91 50.31 -64.14 -41.69 0.84 0.00 99.15 0.20 0.07 0.47 99.14 0.12 0.00 0.00 0.00 32 A H H 53.75 2.99 15.31 19.12 91.80 50.60 -63.63 -41.07 0.47 0.00 99.53 0.08 0.03 0.25 99.57 0.07 0.00 0.00 0.00 33 A H H 58.90 2.11 16.20 18.15 91.76 50.88 -63.73 -40.95 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 34 D H H 90.46 1.56 16.58 17.20 92.02 49.70 -65.04 -40.75 0.29 0.00 99.71 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 35 L H H 90.57 2.73 15.05 18.34 91.93 50.31 -64.58 -41.59 0.23 0.00 99.77 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 36 M H H 100.56 2.92 15.04 18.71 91.76 50.43 -64.19 -40.99 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 37 A H H 61.96 1.59 16.26 16.93 91.68 50.42 -63.88 -41.32 0.31 0.00 99.69 0.02 0.01 0.21 99.69 0.06 0.00 0.00 0.00 38 Y H H 129.02 1.79 15.88 17.19 92.12 49.65 -64.38 -41.28 0.52 0.00 99.48 0.04 0.02 0.37 99.45 0.13 0.00 0.00 0.00 39 C H H 53.11 5.45 12.38 19.67 92.35 50.05 -65.01 -40.67 0.71 0.00 99.29 0.07 0.04 0.48 99.22 0.19 0.00 0.00 0.00 40 E H H 118.29 2.25 14.83 17.51 91.77 51.11 -64.49 -39.45 1.42 0.00 98.58 0.09 0.07 1.07 98.30 0.46 0.00 0.00 0.00 41 A H H 71.84 1.19 15.70 15.44 92.34 50.78 -67.00 -36.79 6.67 0.00 93.33 0.15 0.23 6.35 92.41 0.85 0.00 0.00 0.00 42 H H H 104.58 3.43 13.23 17.77 97.59 40.96 -91.16 -14.40 21.37 0.02 78.61 0.75 0.98 19.75 76.76 1.72 0.02 0.00 0.02 43 A H G 41.06 9.33 8.97 19.78 92.46 81.16 -62.82 -34.05 19.78 0.11 80.11 2.54 1.59 14.18 26.74 54.83 0.01 0.06 0.06 44 K H G 157.54 1.24 13.53 14.82 91.64 58.56 -69.10 -25.61 28.67 0.07 71.26 1.10 1.39 25.74 11.76 59.91 0.00 0.04 0.05 45 E H G 152.19 0.84 13.57 13.23 96.85 45.17 -94.14 -6.01 30.47 0.11 69.41 1.78 2.94 24.51 6.67 63.97 0.00 0.05 0.07 46 D C C 56.01 8.36 7.12 17.02 111.80 95.15 -92.22 114.60 99.63 0.25 0.12 75.13 24.24 0.22 0.05 0.04 0.00 0.05 0.27 47 P C T 106.12 2.00 11.14 14.46 92.47 -151.84 -64.88 -23.37 81.02 0.15 18.84 2.23 4.10 72.41 0.78 20.34 0.00 0.07 0.08 48 L C T 120.25 2.31 10.70 14.27 93.33 64.85 -77.68 -13.41 80.75 0.39 18.86 1.89 4.31 72.95 0.94 19.52 0.00 0.21 0.17 49 L C C 93.82 6.11 8.92 16.47 101.03 69.51 -84.94 2.92 67.83 5.75 26.42 27.12 22.33 18.24 2.41 23.82 0.04 2.49 3.55 50 T C C 89.47 3.14 10.96 15.74 118.34 104.62 -102.02 133.58 93.24 4.17 2.59 43.98 36.21 12.99 0.54 2.22 0.00 1.97 2.08 51 P C S 108.74 2.16 11.65 15.13 110.65 -106.31 -70.37 134.41 98.72 0.79 0.49 40.11 47.27 11.24 0.06 0.55 0.00 0.41 0.36 52 V C C 70.00 7.41 7.52 16.50 118.75 -141.11 -101.86 135.19 98.36 1.49 0.15 59.43 38.62 0.43 0.06 0.08 0.00 0.50 0.88 53 P C C 82.86 1.88 13.27 15.31 113.21 -106.64 -65.10 144.37 98.11 1.52 0.37 96.63 1.25 0.34 0.12 0.15 0.00 0.51 1.00 54 A H G 76.64 5.34 8.04 15.23 93.19 -122.21 -61.28 -31.67 45.60 0.37 54.03 4.45 5.49 31.88 1.54 56.30 0.00 0.20 0.15 55 S H G 96.96 0.69 11.58 11.56 93.73 61.85 -74.07 -16.30 45.01 0.17 54.83 2.00 3.63 35.21 1.40 57.62 0.00 0.09 0.06 56 E H G 131.30 2.04 11.02 13.93 98.86 53.12 -90.09 -7.14 40.65 0.44 58.91 5.01 7.75 25.13 1.60 60.12 0.00 0.22 0.17 57 N C C 55.88 8.41 7.43 17.33 112.04 63.71 -108.65 106.08 99.15 0.49 0.36 72.05 26.43 0.55 0.18 0.15 0.00 0.12 0.52 58 P C T 96.00 2.73 10.99 15.37 93.23 -158.61 -66.50 -18.67 79.72 0.20 20.09 5.89 6.87 66.86 7.11 12.98 0.00 0.09 0.20 59 F C T 135.35 3.36 10.10 14.91 95.34 61.40 -85.18 -2.19 76.00 0.41 23.59 5.51 7.03 62.82 10.27 13.77 0.01 0.20 0.38 60 R C C 140.79 4.35 9.39 15.60 105.07 92.36 -78.41 73.35 59.87 1.47 38.65 32.30 14.24 13.43 18.00 20.42 0.01 0.64 0.96 61 E C C 139.38 2.09 10.91 13.94 105.82 70.70 -83.49 72.02 62.43 1.37 36.20 42.76 9.03 10.18 22.01 14.63 0.00 0.65 0.73 62 K C C 135.22 3.63 9.06 14.59 109.38 84.82 -86.26 116.27 59.32 1.52 39.16 38.87 9.74 10.49 24.58 14.81 0.01 0.74 0.75 63 K C C 143.42 2.76 9.87 14.37 113.71 -157.92 -92.78 129.53 62.23 1.69 36.09 41.79 9.59 10.55 23.45 13.00 0.01 0.86 0.77 64 F C C 143.72 3.43 8.63 13.93 113.11 -129.39 -93.40 127.65 63.46 2.50 34.04 43.11 9.79 10.13 21.56 13.02 0.01 1.38 1.00 65 F C C 149.26 2.60 8.79 13.10 113.42 -163.41 -100.64 122.53 62.70 3.91 33.39 38.75 11.31 12.41 20.94 12.87 0.03 2.35 1.35 66 S C C 77.78 3.17 8.03 13.04 112.91 -150.44 -99.96 125.62 61.53 7.06 31.42 37.78 11.00 12.76 18.90 12.83 0.05 4.92 1.77 67 A C C 83.34 2.33 7.92 11.94 112.10 -155.55 -94.87 121.55 55.72 15.73 28.54 34.81 10.01 11.36 17.37 11.19 0.13 12.55 2.59 68 I C C 130.28 2.14 8.09 11.94 112.68 -155.98 -96.55 120.73 60.29 16.92 22.79 48.50 2.51 9.25 15.77 6.36 0.05 13.80 3.76 69 L C C 113.60 4.12 10.11 16.03 112.40 -159.17 -96.35 121.85 99.25 0.67 0.08 99.18 0.11 0.09 0.05 0.01 0.00 0.53 0.03