# 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 V C C 55.32 12.33 14.00 26.63 108.98 -157.24 -89.67 115.02 99.45 0.29 0.26 99.34 0.14 0.10 0.21 0.01 0.00 0.13 0.05 1 Q H H 99.03 5.78 13.05 19.98 98.03 80.61 -69.22 -36.03 39.67 0.66 59.66 37.53 0.80 2.92 56.92 1.30 0.00 0.28 0.25 2 K H H 139.54 2.18 12.54 15.65 94.82 58.33 -66.74 -36.89 13.00 0.21 86.79 5.63 1.84 6.01 83.75 2.58 0.01 0.11 0.08 3 L H H 95.56 2.74 13.25 16.77 93.49 53.72 -67.20 -38.48 6.66 0.15 93.19 2.95 0.97 3.14 90.15 2.64 0.01 0.09 0.05 4 F H H 84.04 6.71 13.44 21.76 92.98 51.49 -66.15 -41.17 3.27 0.08 96.64 1.75 0.51 1.27 94.93 1.46 0.00 0.05 0.02 5 V H H 58.18 6.89 14.17 22.71 92.33 50.22 -65.13 -41.48 1.83 0.03 98.14 0.83 0.24 0.75 97.70 0.46 0.00 0.02 0.01 6 D H H 79.12 2.48 17.63 19.79 92.02 51.17 -65.00 -40.26 1.73 0.02 98.25 0.59 0.20 0.84 98.06 0.29 0.00 0.01 0.00 7 K H H 101.98 3.57 17.62 21.65 92.23 50.41 -65.59 -40.27 1.98 0.02 98.00 0.54 0.20 1.12 97.86 0.27 0.00 0.01 0.01 8 I H H 45.72 10.78 14.60 26.73 92.17 50.96 -64.35 -41.87 0.94 0.01 99.05 0.24 0.09 0.51 98.95 0.19 0.00 0.00 0.00 9 R H H 121.32 3.65 18.05 22.24 91.87 51.24 -64.00 -41.21 1.03 0.01 98.96 0.20 0.09 0.64 98.72 0.35 0.00 0.00 0.00 10 E H H 104.36 1.96 18.75 19.69 91.95 50.05 -64.59 -41.14 2.17 0.01 97.82 0.31 0.17 1.57 97.33 0.61 0.00 0.01 0.00 11 Y H H 72.41 8.15 14.86 24.75 92.53 50.86 -65.06 -41.01 2.83 0.02 97.15 0.53 0.30 1.83 96.48 0.83 0.01 0.01 0.00 12 R H H 107.80 7.27 15.57 23.90 92.34 52.47 -64.70 -39.61 4.79 0.05 95.16 1.10 0.55 3.01 93.43 1.85 0.01 0.03 0.02 13 T H H 79.36 1.91 16.81 18.05 92.52 51.28 -66.26 -39.03 10.25 0.12 89.63 1.77 1.23 7.21 86.15 3.48 0.05 0.06 0.05 14 K H H 114.41 2.99 15.09 18.65 93.33 51.77 -68.86 -34.50 19.27 0.38 80.35 4.60 3.20 12.28 75.03 4.42 0.10 0.18 0.18 15 R H H 98.94 8.49 10.99 20.61 95.34 56.88 -72.14 -28.17 33.73 1.66 64.62 16.62 5.94 13.72 57.53 4.52 0.08 0.83 0.76 16 Q H H 125.25 2.86 12.30 16.42 96.37 64.45 -72.21 -26.56 46.68 2.67 50.65 24.40 8.32 16.15 44.22 4.34 0.07 1.33 1.16 17 T C H 109.30 1.25 11.52 12.97 100.01 55.80 -82.62 -13.64 58.31 3.27 38.41 20.70 15.78 23.85 31.39 4.95 0.20 1.44 1.70 18 S C T 81.72 2.26 10.09 13.48 102.44 45.83 -92.49 8.66 82.97 1.03 16.01 17.65 19.69 45.60 11.67 4.21 0.02 0.46 0.69 19 G C T 61.48 1.25 11.96 13.58 100.68 -97.66 83.92 5.06 96.62 0.67 2.71 21.17 32.76 42.90 0.70 1.82 0.00 0.35 0.31 20 G C C 34.50 5.78 10.90 18.32 127.90 117.38 -103.32 173.34 96.21 3.18 0.61 47.61 46.19 2.73 0.15 0.45 0.00 1.59 1.28 21 P C C 89.78 4.71 12.95 19.06 111.04 -68.32 -70.48 142.99 89.91 8.05 2.04 74.24 11.19 3.97 0.60 1.57 0.00 3.41 5.03 22 V C C 88.67 7.45 11.23 19.95 110.20 -150.33 -87.39 116.21 90.51 4.97 4.53 38.04 28.42 24.51 0.93 3.49 0.00 2.47 2.13 23 D C C 99.40 3.93 14.50 19.64 111.23 -109.92 -91.72 108.36 91.16 3.77 5.07 40.21 25.24 26.11 1.14 3.75 0.00 1.89 1.64 24 A C C 52.44 9.29 10.53 20.94 104.39 150.87 -93.67 11.78 92.84 2.61 4.55 68.67 17.94 5.73 1.81 2.64 0.00 1.01 2.19 25 G C C 29.59 4.75 13.94 20.07 124.92 -133.27 -70.95 177.34 96.55 0.66 2.78 72.99 22.30 0.85 2.81 0.29 0.00 0.16 0.60 26 P H H 104.22 1.68 13.51 15.32 93.26 -74.48 -62.24 -35.15 9.54 0.04 90.43 1.63 1.36 6.59 86.76 3.62 0.02 0.02 0.02 27 E H H 128.16 1.49 14.39 15.68 92.24 54.03 -65.04 -39.28 5.78 0.03 94.19 0.93 0.57 4.09 90.88 3.49 0.01 0.02 0.01 28 Y H H 73.06 8.99 11.60 22.16 92.77 49.51 -66.77 -40.06 2.13 0.02 97.85 0.67 0.27 1.13 95.11 2.80 0.00 0.01 0.00 29 Q H H 85.69 6.11 14.56 22.02 92.12 52.04 -63.88 -41.27 0.85 0.00 99.14 0.31 0.10 0.38 98.85 0.36 0.00 0.00 0.00 30 Q H H 105.16 1.62 18.01 18.34 92.12 50.02 -64.47 -41.90 0.44 0.00 99.55 0.10 0.03 0.23 99.54 0.10 0.00 0.00 0.00 31 D H H 72.53 3.48 17.31 21.29 92.27 49.38 -65.01 -40.73 0.40 0.00 99.60 0.07 0.02 0.22 99.62 0.06 0.00 0.00 0.00 32 L H H 43.76 11.28 13.97 26.53 92.21 50.44 -64.56 -41.10 0.22 0.00 99.78 0.04 0.01 0.12 99.79 0.03 0.00 0.00 0.00 33 D H H 77.97 3.84 17.75 22.19 91.68 51.23 -63.84 -40.95 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 34 R H H 137.64 1.52 19.10 19.00 92.04 49.84 -64.97 -41.54 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 35 E H H 75.87 6.42 16.88 24.54 92.04 49.64 -64.75 -41.34 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 36 L H H 51.17 10.24 14.94 26.47 92.02 50.29 -64.17 -41.01 0.28 0.00 99.72 0.02 0.01 0.21 99.73 0.03 0.00 0.00 0.00 37 F H H 110.35 2.40 18.29 20.25 91.58 50.47 -64.14 -41.20 0.53 0.00 99.47 0.05 0.02 0.37 99.48 0.08 0.00 0.00 0.00 38 K H H 108.69 2.29 18.02 19.78 91.97 50.18 -64.71 -41.10 0.40 0.00 99.60 0.03 0.02 0.30 99.41 0.24 0.00 0.00 0.00 39 L H H 44.61 9.25 13.17 24.24 91.97 50.62 -64.63 -41.17 0.35 0.00 99.65 0.03 0.02 0.26 99.20 0.49 0.00 0.00 0.00 40 K H H 99.10 6.45 13.62 21.44 91.93 52.23 -64.14 -38.83 0.39 0.00 99.61 0.03 0.02 0.29 99.16 0.50 0.00 0.00 0.00 41 Q H H 133.07 1.03 15.10 15.13 92.77 50.80 -66.84 -37.62 1.01 0.00 98.99 0.04 0.04 0.91 98.36 0.64 0.00 0.00 0.00 42 M H H 117.58 2.69 13.69 16.96 95.48 43.05 -74.18 -36.02 3.05 0.01 96.94 0.07 0.13 2.98 96.37 0.44 0.01 0.00 0.00 43 Y H H 103.19 7.38 9.58 18.42 101.21 33.10 -104.89 -5.36 24.39 0.23 75.38 1.58 3.81 19.54 73.73 0.95 0.13 0.06 0.19 44 G C T 48.99 2.53 12.25 16.04 110.52 -132.91 66.44 -141.41 89.88 0.38 9.74 14.34 11.03 64.12 2.30 7.77 0.00 0.21 0.23 45 K C T 177.12 0.74 12.64 12.55 98.23 -15.02 -85.22 11.02 86.96 0.53 12.51 8.83 24.02 53.24 1.38 11.94 0.00 0.27 0.32 46 A C S 54.75 6.28 8.32 16.52 118.59 113.11 -84.79 151.50 89.05 1.25 9.70 28.81 48.09 11.16 1.04 9.51 0.00 0.57 0.82 47 D C C 95.80 2.79 13.53 17.24 108.66 -114.96 -86.08 115.95 93.07 1.92 5.01 84.55 4.06 4.05 0.89 4.38 0.00 0.83 1.23 48 M C G 87.78 11.17 8.19 19.90 95.67 -170.79 -77.89 -6.99 57.60 1.05 41.35 22.07 7.10 24.17 1.51 44.29 0.00 0.56 0.31 49 N C G 124.63 1.72 13.16 15.49 94.03 71.69 -78.44 -10.37 58.21 0.55 41.24 5.99 7.73 40.03 1.31 44.45 0.00 0.30 0.20 50 T C G 97.56 2.04 12.49 15.27 106.90 66.24 -97.97 28.39 55.18 1.05 43.78 15.05 12.60 24.62 1.51 45.33 0.00 0.53 0.37 51 F C S 102.62 9.79 7.66 17.98 117.64 110.62 -89.50 139.36 90.23 1.57 8.20 35.06 48.14 6.84 1.13 6.98 0.00 0.62 1.23 52 P C C 80.71 5.39 10.81 17.78 113.25 -88.68 -72.09 145.48 91.86 0.86 7.28 60.42 14.95 14.76 0.68 8.31 0.00 0.48 0.40 53 N C C 129.96 1.37 12.55 14.54 109.95 -120.37 -87.82 121.95 91.00 3.02 5.98 70.36 9.01 10.16 0.64 6.76 0.00 1.91 1.16 54 F C C 107.27 8.69 7.09 16.77 121.69 -161.50 -109.05 141.45 91.40 8.18 0.43 87.32 4.05 0.44 0.12 0.28 0.00 5.47 2.33 55 T C C 109.50 1.35 12.63 14.62 118.42 -157.90 -114.47 133.34 88.46 11.24 0.30 87.30 1.79 0.31 0.09 0.17 0.00 7.37 2.97 56 F C C 108.30 8.62 6.64 16.20 118.08 -156.56 -102.72 135.72 83.02 16.25 0.73 80.31 2.62 0.57 0.28 0.38 0.00 7.92 7.92 57 E C C 153.40 1.10 11.81 12.96 112.69 -145.45 -91.42 141.09 96.10 3.44 0.46 57.74 36.49 2.22 0.10 0.38 0.00 2.19 0.88 58 D C S 123.70 1.37 11.88 13.67 104.67 -7.73 -77.44 81.90 98.18 1.66 0.16 35.41 61.86 1.18 0.03 0.13 0.00 1.04 0.35 59 P C C 69.03 9.61 6.82 17.27 116.34 -149.47 -70.41 145.95 97.29 1.75 0.95 91.88 3.48 2.10 0.19 0.71 0.00 1.20 0.44 60 K C C 161.66 1.22 12.47 14.05 115.84 -143.64 -101.24 129.71 88.80 10.00 1.20 79.34 6.58 2.57 0.38 0.84 0.00 5.70 4.58 61 F C C 129.88 6.67 6.78 14.82 119.98 -161.55 -106.41 137.14 86.18 11.21 2.60 75.74 8.12 2.17 0.98 1.58 0.00 7.88 3.54 62 E C C 146.76 1.41 10.36 12.62 116.38 -153.70 -102.61 134.19 83.14 11.03 5.82 69.96 9.10 3.93 1.87 3.88 0.00 8.98 2.28 63 A C C 82.98 3.24 7.92 13.10 114.12 -124.58 -82.11 132.28 74.98 11.35 13.67 59.43 8.85 6.76 3.56 9.94 0.01 8.94 2.50 64 V C C 108.76 2.92 7.24 12.03 114.39 -158.82 -98.49 132.72 80.51 7.02 12.47 56.72 14.15 9.61 2.73 9.92 0.01 5.04 1.81 65 E C C 155.18 1.15 8.92 11.12 115.20 -124.88 -91.53 131.36 84.69 5.15 10.17 57.78 17.32 9.50 2.09 8.27 0.00 3.25 1.79 66 K C C 146.49 2.79 7.00 11.99 115.69 -135.42 -92.41 133.11 97.10 1.85 1.05 64.94 30.51 1.87 0.36 0.61 0.00 0.94 0.78 67 P C C 102.35 2.64 7.42 12.00 111.11 -109.44 -69.24 145.63 97.06 0.92 2.02 81.48 7.17 8.46 0.52 1.43 0.00 0.57 0.37 68 Q C C 153.02 0.99 7.76 9.72 108.85 -121.17 -84.09 118.60 97.37 0.92 1.71 89.07 1.68 6.96 0.46 0.89 0.00 0.51 0.43 69 S C C 87.99 2.11 9.26 12.97 113.45 -130.53 -94.91 134.26 99.86 0.11 0.03 99.64 0.18 0.09 0.01 0.00 0.00 0.06 0.02