# 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 S C C 81.55 2.93 11.04 15.42 112.90 -154.78 -91.09 139.70 99.96 0.02 0.01 99.86 0.09 0.03 0.00 0.00 0.00 0.01 0.00 1 S C C 78.34 2.91 9.09 13.77 115.41 -119.78 -90.09 141.02 90.65 0.17 9.18 84.73 1.05 5.27 7.81 0.93 0.00 0.07 0.13 2 P C C 91.86 3.64 8.44 13.82 108.43 -104.97 -72.79 144.45 82.87 0.32 16.81 51.53 13.01 17.56 14.87 2.65 0.00 0.12 0.25 3 T C C 85.26 2.48 9.80 13.55 112.12 -121.18 -80.20 156.69 61.97 0.62 37.41 41.35 11.60 8.33 35.72 2.40 0.00 0.19 0.41 4 I H H 122.66 1.63 10.47 12.76 94.57 -104.18 -63.53 -37.66 10.35 0.08 89.57 3.94 2.24 4.38 87.73 1.63 0.01 0.03 0.04 5 P H H 84.52 1.75 11.82 14.05 92.50 51.22 -65.44 -39.66 7.02 0.05 92.93 2.60 0.98 3.39 91.46 1.51 0.01 0.02 0.02 6 S H H 53.12 3.68 11.60 16.92 92.66 50.93 -65.69 -39.67 2.85 0.02 97.12 1.19 0.43 1.25 95.93 1.18 0.00 0.01 0.01 7 R H H 135.76 2.21 13.46 16.20 92.38 50.75 -65.49 -40.58 1.54 0.02 98.44 0.48 0.20 0.80 97.82 0.68 0.01 0.01 0.01 8 L H H 96.01 1.70 14.06 15.55 92.21 49.50 -64.82 -41.47 1.41 0.02 98.57 0.35 0.16 0.82 98.01 0.63 0.01 0.01 0.00 9 Y H H 118.07 2.82 12.91 16.77 92.71 49.25 -65.97 -40.49 2.20 0.03 97.78 0.51 0.25 1.36 97.05 0.81 0.01 0.01 0.01 10 S H H 55.80 3.76 12.34 17.59 92.81 51.48 -66.23 -39.16 4.46 0.02 95.52 0.48 0.36 3.54 94.47 1.09 0.03 0.01 0.01 11 L H H 101.99 1.80 13.61 15.39 93.49 48.62 -68.49 -40.08 9.86 0.03 90.11 0.42 0.68 9.22 88.04 1.54 0.07 0.01 0.02 12 L H H 104.88 2.01 13.12 15.34 95.85 42.66 -73.64 -38.68 31.56 0.12 68.32 0.88 2.31 28.87 64.80 2.75 0.25 0.04 0.11 13 F C H 119.59 3.71 11.51 16.56 98.68 38.13 -86.56 -19.41 50.25 0.45 49.30 3.80 5.95 39.88 42.54 7.02 0.24 0.19 0.37 14 R C T 149.10 2.85 12.37 16.39 95.79 71.02 -72.84 -24.70 61.95 1.00 37.05 11.26 13.60 37.24 27.38 9.23 0.15 0.42 0.72 15 R C C 143.14 2.84 12.11 16.09 105.27 55.19 -94.95 86.73 69.52 1.63 28.85 31.03 14.93 24.57 19.65 8.07 0.03 0.64 1.07 16 T H H 75.37 4.74 11.29 17.66 106.52 114.56 -80.96 -27.21 42.46 0.85 56.69 27.27 11.47 4.36 54.55 1.64 0.01 0.25 0.45 17 S H H 73.78 2.29 13.33 16.08 94.54 51.03 -66.32 -36.20 8.78 0.06 91.15 3.00 1.54 4.19 89.93 1.27 0.01 0.03 0.03 18 T H H 76.26 2.67 14.04 17.22 92.83 52.48 -65.97 -40.28 3.81 0.03 96.16 1.34 0.47 1.82 95.48 0.86 0.00 0.02 0.01 19 F H H 100.24 4.67 13.08 19.29 92.57 50.49 -65.57 -40.56 1.20 0.01 98.79 0.39 0.12 0.55 98.43 0.49 0.00 0.00 0.00 20 A H H 58.02 3.42 14.17 18.39 91.83 51.37 -64.02 -41.43 0.54 0.00 99.46 0.15 0.04 0.25 99.39 0.17 0.00 0.00 0.00 21 L H H 100.07 1.77 15.73 17.04 91.95 50.21 -65.00 -40.36 0.47 0.00 99.53 0.09 0.03 0.26 99.50 0.13 0.00 0.00 0.00 22 T H H 72.62 2.63 15.08 18.21 92.35 49.61 -65.50 -41.49 0.47 0.00 99.53 0.07 0.03 0.29 99.52 0.09 0.00 0.00 0.00 23 I H H 88.99 3.69 14.82 19.34 92.17 49.19 -64.84 -42.07 0.50 0.00 99.50 0.05 0.03 0.34 99.51 0.06 0.00 0.00 0.00 24 A H H 61.28 2.54 15.99 18.58 91.93 49.70 -64.18 -42.08 0.55 0.00 99.45 0.06 0.03 0.38 99.46 0.07 0.00 0.00 0.00 25 V H H 84.27 1.69 16.94 17.69 91.85 49.45 -64.27 -42.10 0.37 0.00 99.62 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 26 G H H 32.47 2.89 15.54 19.18 91.85 50.43 -63.54 -41.81 0.32 0.00 99.68 0.04 0.01 0.20 99.70 0.05 0.00 0.00 0.00 27 A H H 50.69 3.40 14.90 19.25 91.69 50.44 -63.64 -41.57 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 28 L H H 92.97 2.22 15.95 18.07 91.77 50.13 -64.05 -41.93 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 29 F H H 125.68 1.49 16.35 16.85 91.84 49.95 -64.27 -41.96 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 30 F H H 119.36 1.94 15.57 17.27 91.96 49.39 -64.69 -41.28 0.23 0.00 99.77 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 31 E H H 97.78 3.23 14.79 18.86 91.94 50.83 -64.18 -40.88 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 32 R H H 130.52 2.27 15.71 18.04 91.87 50.09 -64.81 -40.91 0.33 0.00 99.67 0.03 0.01 0.23 99.66 0.06 0.00 0.00 0.00 33 A H H 60.60 1.80 16.23 17.45 91.73 50.40 -63.94 -41.81 0.59 0.00 99.41 0.06 0.03 0.40 99.41 0.10 0.00 0.00 0.00 34 F H H 119.45 1.98 16.14 17.76 92.05 49.01 -64.82 -41.34 0.82 0.00 99.18 0.12 0.06 0.53 99.16 0.13 0.00 0.00 0.00 35 D H H 73.29 3.70 14.90 19.65 92.15 49.92 -64.65 -41.23 0.98 0.00 99.02 0.15 0.07 0.61 99.04 0.13 0.00 0.00 0.00 36 Q H H 105.66 2.15 16.44 18.39 91.98 49.72 -64.89 -41.09 0.98 0.00 99.02 0.10 0.06 0.68 99.03 0.13 0.00 0.00 0.00 37 G H H 39.63 1.79 16.87 17.89 92.01 50.01 -64.22 -41.41 1.30 0.00 98.70 0.15 0.09 0.87 98.73 0.16 0.00 0.00 0.00 38 A H H 53.63 2.86 15.63 19.12 91.88 50.27 -64.40 -41.27 1.06 0.00 98.94 0.14 0.07 0.67 98.97 0.16 0.00 0.00 0.00 39 D H H 73.31 3.74 15.42 20.17 91.97 50.80 -64.56 -40.45 0.89 0.00 99.11 0.10 0.05 0.56 99.14 0.14 0.00 0.00 0.00 40 A H H 56.82 2.22 15.77 18.09 91.67 51.18 -63.63 -41.57 1.04 0.00 98.96 0.10 0.06 0.70 98.98 0.16 0.00 0.00 0.00 41 I H H 96.21 1.63 16.05 16.87 91.61 49.26 -63.81 -42.50 0.84 0.00 99.16 0.09 0.06 0.57 99.10 0.17 0.00 0.00 0.00 42 Y H H 112.43 3.25 13.91 18.29 92.08 49.22 -64.75 -41.57 0.70 0.00 99.30 0.10 0.06 0.45 99.11 0.28 0.00 0.00 0.00 43 E H H 93.80 4.16 12.68 18.39 91.87 51.28 -64.66 -39.59 1.26 0.00 98.73 0.14 0.08 0.92 98.29 0.56 0.00 0.00 0.00 44 H H H 137.73 1.09 14.52 14.68 92.67 48.52 -68.63 -39.11 2.84 0.01 97.16 0.20 0.18 2.33 96.48 0.79 0.00 0.00 0.00 45 I H H 114.47 1.53 13.82 14.97 94.81 44.27 -77.02 -33.97 10.42 0.02 89.56 0.49 0.77 9.17 88.67 0.85 0.02 0.01 0.01 46 N C H 74.09 5.63 9.88 17.41 99.88 41.56 -100.69 8.06 52.10 0.36 47.54 9.03 5.60 36.68 46.58 1.73 0.02 0.12 0.24 47 E C T 125.02 3.34 11.91 16.88 103.51 143.06 -53.89 95.61 59.21 0.60 40.20 12.71 7.70 38.91 34.44 5.51 0.05 0.24 0.44 48 G C T 50.39 2.42 13.65 16.56 98.46 3.65 77.31 -10.65 54.55 0.26 45.19 6.21 7.82 40.49 37.16 7.94 0.06 0.11 0.21 49 K H H 126.84 2.04 13.83 16.04 96.49 71.02 -79.05 -28.07 38.87 0.28 60.84 8.81 6.97 23.29 52.06 8.52 0.05 0.13 0.18 50 L H H 76.44 5.12 12.15 18.98 94.10 58.17 -65.90 -39.90 25.11 0.31 74.58 7.96 4.37 13.42 67.15 6.75 0.04 0.15 0.17 51 W H H 127.81 4.16 12.53 18.16 92.21 51.71 -64.78 -39.54 8.49 0.11 91.40 2.86 1.23 4.56 84.41 6.83 0.01 0.06 0.03 52 K H H 127.93 1.49 15.31 16.25 92.11 51.90 -65.17 -40.00 5.75 0.05 94.20 1.14 0.60 3.82 87.29 7.09 0.01 0.03 0.01 53 H H H 108.03 2.09 14.51 16.69 92.81 49.27 -66.52 -39.60 9.41 0.05 90.53 1.27 0.87 7.01 83.46 7.31 0.02 0.03 0.02 54 I H H 74.69 4.23 12.79 18.58 93.11 47.53 -67.96 -38.93 11.19 0.09 88.72 2.54 1.50 7.25 84.62 3.98 0.03 0.04 0.05 55 K H H 104.32 3.10 13.39 17.73 91.77 53.95 -62.69 -41.51 4.45 0.03 95.51 1.31 0.52 2.53 91.65 3.97 0.00 0.02 0.01 56 H H H 110.62 1.48 14.06 15.14 91.98 50.38 -64.51 -40.30 4.28 0.03 95.69 0.86 0.42 2.81 90.93 4.94 0.01 0.01 0.01 57 K H H 115.55 1.87 13.10 15.22 92.18 50.26 -65.63 -39.62 4.92 0.04 95.04 1.18 0.62 3.01 90.35 4.80 0.01 0.02 0.01 58 Y H H 118.80 3.23 10.43 15.22 92.97 49.40 -67.81 -37.44 9.36 0.14 90.50 3.30 1.67 4.93 86.93 3.02 0.02 0.07 0.06 59 E H H 126.72 1.67 10.19 12.68 93.44 53.17 -69.02 -31.89 18.08 0.22 81.70 5.98 3.01 9.61 78.68 2.50 0.02 0.09 0.11 60 N H H 124.85 0.97 9.57 10.73 96.58 53.65 -78.59 -12.83 36.30 0.23 63.47 11.33 4.70 20.36 61.31 2.06 0.01 0.08 0.14 61 K C C 148.01 1.90 7.67 11.07 102.85 73.29 -83.50 10.76 65.65 0.18 34.17 39.87 1.90 21.55 35.13 1.37 0.00 0.06 0.12 62 E C C 145.50 1.98 10.18 13.56 106.85 115.07 -81.79 104.76 99.94 0.01 0.05 99.80 0.06 0.10 0.03 0.00 0.00 0.00 0.00