# 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 126.81 4.42 11.81 17.54 112.96 -153.25 -94.31 127.67 99.68 0.29 0.02 99.61 0.15 0.04 0.01 0.00 0.00 0.11 0.07 1 A C C 65.97 5.74 7.83 15.17 117.16 -127.19 -85.75 142.08 96.91 0.71 2.38 95.92 0.62 0.95 1.49 0.36 0.00 0.27 0.41 2 P C C 93.70 2.73 9.70 13.89 112.38 -105.12 -67.78 149.24 80.46 0.95 18.59 68.81 4.46 8.09 7.22 10.42 0.00 0.51 0.49 3 S C G 86.65 2.46 8.58 12.69 102.48 -108.61 -71.11 -14.51 53.46 1.78 44.77 31.47 8.35 13.69 13.20 31.54 0.01 0.94 0.79 4 A H G 83.72 2.39 8.59 12.50 101.95 60.99 -81.34 6.00 40.15 2.43 57.42 19.86 8.01 13.07 17.27 39.53 0.02 1.38 0.86 5 L H G 120.76 2.44 9.17 13.12 107.67 69.18 -86.92 99.16 44.12 3.78 52.09 22.80 9.09 13.29 18.37 32.89 0.05 2.22 1.29 6 L C C 106.55 4.17 8.48 14.49 111.97 67.17 -88.76 124.01 53.34 4.31 42.35 32.09 11.17 10.16 22.75 19.59 0.05 2.32 1.87 7 R H C 140.49 3.90 9.90 15.54 113.51 -147.03 -90.39 135.90 47.83 2.22 49.95 33.49 7.97 6.40 31.19 18.96 0.01 1.29 0.70 8 P H H 85.79 3.50 10.43 15.43 106.73 -113.89 -71.16 139.03 36.68 2.26 61.06 23.42 4.69 8.62 33.96 27.11 0.02 1.63 0.54 9 F H H 139.22 3.14 10.29 14.83 98.06 -121.91 -73.50 -26.64 25.79 1.73 72.48 12.50 4.39 8.97 39.47 33.00 0.04 1.17 0.45 10 W H H 158.16 3.76 10.33 15.55 97.34 60.33 -74.15 -22.42 20.46 1.07 78.46 9.38 3.36 7.53 46.30 32.41 0.03 0.71 0.27 11 K H H 129.61 3.65 10.34 15.56 96.65 69.12 -73.44 -25.43 21.23 0.76 78.01 5.70 3.20 11.20 44.49 34.61 0.08 0.49 0.23 12 L H H 119.27 2.83 10.37 14.27 98.44 57.24 -79.77 -12.71 29.66 1.13 69.21 5.80 4.40 17.38 39.97 31.12 0.20 0.69 0.45 13 L H H 117.49 2.92 10.00 14.35 104.39 59.51 -90.92 5.82 45.37 4.27 50.36 13.26 11.60 21.81 29.77 18.56 0.65 2.13 2.22 14 A C C 67.58 4.34 8.74 14.98 116.40 109.12 -88.05 139.06 83.53 4.52 11.95 41.40 36.50 6.27 7.70 3.92 0.03 2.13 2.06 15 P C C 105.74 2.39 10.30 14.16 112.58 -111.16 -71.32 144.46 79.10 6.48 14.42 57.32 11.29 10.23 6.22 8.35 0.01 4.11 2.47 16 A C C 77.84 4.27 8.13 14.33 114.21 -119.06 -83.16 138.37 78.84 8.15 13.01 53.53 14.71 10.53 4.62 8.52 0.02 4.92 3.14 17 R C C 176.72 1.82 10.06 13.28 113.68 -143.35 -94.47 129.99 83.36 8.30 8.34 53.91 21.13 8.55 2.98 5.33 0.01 4.88 3.21 18 F C C 140.11 3.89 8.04 13.79 117.43 -137.56 -99.23 133.80 90.98 5.91 3.11 62.63 25.13 3.52 1.28 1.82 0.00 3.46 2.16 19 P C C 103.71 2.80 9.29 13.76 107.84 -115.47 -72.01 135.71 88.63 3.77 7.60 54.49 15.64 18.78 2.42 5.06 0.00 2.41 1.20 20 S C C 78.78 2.96 9.37 13.93 115.52 -139.01 -101.90 129.44 83.06 5.48 11.46 47.29 18.07 17.98 4.43 6.85 0.01 2.92 2.46 21 V C C 107.77 3.60 8.91 14.13 100.74 -152.71 -81.99 -6.03 70.07 4.24 25.69 36.96 18.86 14.79 13.57 11.72 0.05 2.09 1.96 22 S C C 83.32 2.12 10.54 13.78 100.72 67.01 -75.85 -23.75 61.30 3.04 35.65 25.17 15.06 21.98 20.02 14.72 0.10 1.61 1.34 23 S C C 77.88 2.59 10.54 14.35 99.84 52.89 -78.37 -18.50 57.52 4.14 38.34 26.60 12.99 18.89 22.73 14.74 0.13 2.28 1.64 24 S C C 62.98 5.40 9.95 16.91 99.00 64.89 -76.08 -22.77 51.96 5.71 42.33 31.32 10.68 10.46 28.07 14.05 0.08 3.34 1.99 25 R C H 143.30 4.26 11.20 16.94 97.95 60.06 -78.39 -13.61 47.82 6.86 45.32 25.87 10.41 12.47 30.53 14.14 0.17 4.35 2.07 26 S C C 66.08 4.61 11.37 17.44 105.32 60.75 -82.76 61.05 51.63 6.20 42.17 31.91 8.57 11.10 28.22 14.23 0.07 4.14 1.78 27 K C H 130.27 3.91 12.37 17.56 100.81 61.84 -79.14 -10.09 48.50 7.84 43.66 24.53 11.12 13.73 29.26 13.80 0.23 5.43 1.90 28 F C H 120.39 5.96 10.69 18.06 107.08 73.15 -89.42 67.47 45.25 16.50 38.25 23.25 10.01 13.07 26.41 11.16 0.50 12.50 3.08 29 Y C C 143.23 4.71 11.74 17.86 106.68 77.83 -98.23 40.43 44.80 24.81 30.39 27.79 8.46 8.96 22.86 7.70 0.30 19.16 4.78 30 I C C 114.32 4.01 10.25 15.87 107.17 101.38 -92.72 52.42 60.57 18.39 21.04 35.58 13.18 11.85 16.16 5.57 0.16 14.13 3.36 31 Q C C 121.37 3.24 10.57 15.40 116.07 76.09 -101.96 138.05 77.82 11.43 10.74 43.47 22.07 12.84 7.09 3.89 0.05 7.74 2.85 32 E C C 134.74 2.89 10.33 15.01 115.73 -114.59 -89.85 136.63 96.86 2.74 0.39 54.75 41.69 0.92 0.18 0.17 0.00 1.39 0.90 33 P C C 83.54 4.38 9.36 15.60 114.55 -100.61 -67.33 148.20 98.41 0.75 0.84 81.36 13.12 3.93 0.24 0.60 0.00 0.42 0.33 34 P C C 103.84 2.86 9.28 13.82 105.93 -104.75 -71.07 127.42 94.65 1.03 4.32 63.16 11.95 18.96 0.73 4.10 0.00 0.54 0.56 35 H C C 147.21 2.11 8.17 11.76 105.02 112.16 -92.03 30.43 93.01 1.42 5.57 34.80 23.43 34.73 0.88 4.72 0.00 0.66 0.77 36 G C S 58.30 1.82 10.51 13.30 103.94 -20.45 -78.64 0.51 94.27 1.33 4.40 25.18 42.02 27.00 0.63 3.84 0.00 0.65 0.69 37 S C S 84.20 2.01 11.56 14.79 114.17 37.93 -110.65 116.50 96.90 2.01 1.09 41.57 53.50 2.12 0.38 0.54 0.00 0.79 1.11 38 P C C 65.64 9.77 8.58 19.25 116.06 -123.44 -70.09 148.20 95.57 2.15 2.28 80.89 11.39 3.22 1.15 0.99 0.00 0.94 1.42 39 N C C 87.16 4.12 12.58 18.26 108.75 -116.50 -81.34 120.27 92.91 3.07 4.02 86.24 4.47 1.78 3.37 0.68 0.00 0.94 2.52 40 W H H 170.38 3.67 11.19 16.79 93.58 -149.21 -63.77 -34.45 12.37 0.14 87.48 3.29 2.48 7.18 84.52 2.34 0.05 0.06 0.08 41 L H H 117.34 1.42 14.22 15.20 92.44 55.88 -65.20 -39.26 8.96 0.07 90.98 1.24 1.03 6.64 88.44 2.55 0.04 0.03 0.03 42 K H H 102.76 4.62 14.30 20.17 93.15 48.83 -68.59 -37.59 5.56 0.09 94.36 1.38 0.73 3.53 91.59 2.65 0.03 0.04 0.04 43 V H H 53.55 8.37 13.04 23.04 92.22 52.09 -63.96 -42.41 1.05 0.02 98.93 0.31 0.15 0.56 98.44 0.52 0.00 0.01 0.01 44 G H H 35.77 3.16 17.17 20.77 91.73 50.74 -63.36 -41.95 0.79 0.01 99.19 0.17 0.08 0.49 98.87 0.38 0.00 0.00 0.00 45 L H H 89.97 2.89 18.20 21.06 92.28 49.71 -65.36 -41.29 1.09 0.01 98.89 0.17 0.10 0.75 98.47 0.49 0.00 0.01 0.00 46 T H H 47.30 7.94 15.96 25.39 92.13 50.38 -64.50 -42.07 1.11 0.01 98.88 0.19 0.11 0.72 98.65 0.32 0.00 0.00 0.00 47 L H H 84.79 5.01 18.44 24.05 91.93 49.29 -64.90 -41.21 0.65 0.00 99.35 0.11 0.05 0.40 99.33 0.11 0.00 0.00 0.00 48 G H H 36.40 2.73 18.99 21.35 91.94 50.70 -64.18 -42.02 0.72 0.00 99.28 0.10 0.05 0.47 99.29 0.09 0.00 0.00 0.00 49 T H H 60.11 4.40 18.05 23.21 92.08 49.64 -65.07 -41.58 0.69 0.00 99.31 0.11 0.06 0.44 99.30 0.08 0.00 0.00 0.00 50 S H H 40.96 6.74 16.43 24.62 92.08 51.44 -64.23 -41.91 0.44 0.00 99.56 0.09 0.04 0.26 99.57 0.05 0.00 0.00 0.00 51 V H H 79.20 2.75 18.20 20.77 91.79 50.22 -64.05 -42.41 0.15 0.00 99.84 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 52 F H H 116.34 2.14 17.82 19.39 91.67 49.90 -63.89 -42.20 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 53 L H H 80.67 4.22 16.15 21.26 91.65 49.95 -64.12 -41.86 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 54 W H H 132.14 3.63 16.26 20.65 91.80 50.27 -64.23 -41.32 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 I H H 92.75 2.05 16.84 18.42 91.41 50.11 -63.98 -41.80 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 56 Y H H 116.66 2.73 16.23 19.15 91.73 49.55 -64.57 -41.86 0.27 0.00 99.73 0.01 0.01 0.21 99.70 0.07 0.00 0.00 0.00 57 L H H 75.40 4.49 14.88 20.64 91.82 50.20 -64.44 -41.87 0.48 0.00 99.52 0.03 0.02 0.38 99.47 0.10 0.00 0.00 0.00 58 I H H 90.77 2.62 15.69 18.63 91.81 49.28 -64.50 -42.00 0.66 0.00 99.33 0.07 0.05 0.49 99.18 0.20 0.00 0.00 0.00 59 K H H 119.19 1.66 16.49 17.38 91.83 49.57 -65.15 -41.07 1.20 0.00 98.79 0.13 0.07 0.91 98.52 0.37 0.00 0.00 0.00 60 Q H H 92.82 2.89 15.71 19.05 92.28 48.96 -65.64 -40.63 3.03 0.01 96.96 0.25 0.20 2.43 96.57 0.53 0.00 0.00 0.00 61 H H H 93.11 4.20 14.56 19.92 92.41 49.80 -66.11 -40.18 8.98 0.02 90.99 1.11 0.77 6.62 90.86 0.60 0.01 0.01 0.02 62 N H H 87.43 2.44 15.71 18.36 92.09 50.73 -65.32 -39.84 6.68 0.02 93.30 1.94 0.66 3.53 93.32 0.52 0.00 0.01 0.01 63 E H H 108.58 1.81 16.68 17.75 92.53 50.33 -65.38 -41.03 1.18 0.00 98.82 0.19 0.11 0.71 98.75 0.23 0.00 0.00 0.00 64 D H H 73.27 3.22 15.39 19.38 92.40 50.21 -65.26 -40.70 1.06 0.00 98.94 0.17 0.09 0.67 98.80 0.26 0.00 0.00 0.00 65 V H H 72.27 3.53 14.87 19.41 92.14 49.91 -64.35 -41.61 0.63 0.00 99.36 0.08 0.04 0.41 99.31 0.17 0.00 0.00 0.00 66 L H H 86.55 2.05 15.52 17.48 91.75 50.11 -64.02 -41.31 0.44 0.00 99.56 0.06 0.03 0.25 99.57 0.09 0.00 0.00 0.00 67 E H H 95.86 1.94 15.26 17.06 91.70 50.20 -64.02 -41.55 0.41 0.00 99.58 0.06 0.02 0.24 99.59 0.09 0.00 0.00 0.00 68 Y H H 103.28 3.09 12.84 17.26 91.91 49.52 -64.80 -41.43 0.44 0.00 99.56 0.06 0.03 0.27 99.51 0.13 0.00 0.00 0.00 69 K H H 104.75 2.76 12.12 16.06 92.06 50.35 -64.54 -40.98 0.65 0.00 99.35 0.09 0.04 0.42 99.24 0.20 0.00 0.00 0.00 70 R H H 159.38 1.13 12.22 13.09 92.40 48.77 -66.04 -39.89 1.56 0.00 98.44 0.13 0.09 1.20 98.17 0.41 0.00 0.00 0.00 71 R H H 168.45 1.05 11.11 12.12 93.20 47.40 -69.39 -32.97 8.25 0.01 91.73 0.26 0.34 7.73 91.08 0.57 0.01 0.00 0.00 72 N C T 106.54 2.07 10.09 13.18 95.73 40.26 -93.47 0.12 71.07 0.04 28.90 0.64 1.83 67.59 29.13 0.77 0.00 0.01 0.03 73 G C T 59.97 1.14 10.73 12.36 95.64 -112.58 75.56 12.85 98.92 0.07 1.02 5.57 3.45 90.18 0.57 0.17 0.00 0.03 0.03 74 L C C 97.97 4.29 7.41 13.60 107.47 133.18 -88.78 74.49 98.70 0.54 0.76 95.50 1.34 2.07 0.33 0.22 0.00 0.21 0.33 75 E C C 136.76 2.68 12.28 16.45 112.74 95.15 -96.24 131.41 99.94 0.05 0.02 99.80 0.12 0.05 0.00 0.00 0.00 0.02 0.01