# 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 112.03 5.52 10.62 17.85 117.94 -140.46 -91.95 139.51 99.91 0.07 0.01 99.73 0.19 0.03 0.00 0.00 0.00 0.03 0.01 1 P C C 93.57 3.69 9.81 15.30 113.64 -104.49 -67.98 149.13 93.90 1.17 4.93 86.62 1.22 6.74 1.03 3.23 0.00 0.73 0.42 2 Q C C 146.19 1.36 8.90 11.47 113.25 -122.27 -85.91 134.58 86.87 6.97 6.16 61.83 12.96 11.71 1.32 5.00 0.00 3.60 3.57 3 L C C 107.12 5.20 6.87 13.89 114.37 -121.95 -88.01 134.90 82.61 11.62 5.76 63.51 14.10 4.32 2.05 3.66 0.00 5.00 7.36 4 D C C 88.55 2.62 10.80 14.72 114.53 -131.49 -84.69 141.73 94.20 2.89 2.91 88.23 4.94 1.30 2.13 0.65 0.00 1.48 1.26 5 T H H 98.31 2.72 9.88 14.39 93.02 -131.77 -63.07 -31.32 37.66 0.40 61.94 7.56 6.01 25.01 56.86 4.06 0.08 0.17 0.24 6 S H H 76.50 1.35 12.36 13.61 92.93 58.36 -65.85 -37.76 36.16 0.21 63.64 3.54 4.23 28.60 59.59 3.71 0.10 0.08 0.15 7 T H H 62.96 3.77 11.49 16.90 93.12 50.73 -67.48 -38.75 18.19 0.20 81.60 3.87 2.46 12.68 77.44 3.25 0.09 0.09 0.12 8 W H H 118.43 5.02 11.40 18.17 92.33 54.04 -63.23 -42.27 1.24 0.00 98.76 0.45 0.14 0.54 98.63 0.23 0.00 0.00 0.00 9 L H H 102.79 1.68 14.39 15.87 91.99 49.98 -64.56 -41.14 0.21 0.00 99.79 0.05 0.01 0.10 99.77 0.06 0.00 0.00 0.00 10 T H H 77.70 1.86 14.95 16.58 91.91 49.49 -65.00 -41.42 0.08 0.00 99.92 0.02 0.00 0.04 99.91 0.03 0.00 0.00 0.00 11 M H H 80.82 4.69 13.36 19.54 92.19 49.98 -64.96 -41.88 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 12 I H H 87.44 3.51 14.98 19.34 91.83 49.74 -64.21 -42.17 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 13 L H H 97.10 1.62 16.12 16.95 91.87 49.77 -64.46 -41.59 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 14 S H H 55.93 2.72 15.02 18.30 91.93 50.23 -64.67 -41.03 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 15 M H H 87.09 4.23 14.32 19.72 92.02 51.05 -64.74 -41.39 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 16 F H H 116.80 2.32 15.65 18.03 91.93 50.23 -64.62 -41.80 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 17 L H H 95.66 1.73 15.77 16.92 91.77 49.96 -64.67 -41.52 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 18 T H H 67.92 2.89 14.61 18.16 91.67 50.11 -64.57 -41.83 0.14 0.00 99.86 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 19 L H H 87.17 2.98 14.76 18.40 91.82 49.95 -64.60 -41.64 0.29 0.00 99.71 0.01 0.01 0.24 99.56 0.18 0.00 0.00 0.00 20 F H H 116.43 2.23 14.87 17.30 92.08 49.49 -64.89 -41.52 1.05 0.00 98.95 0.03 0.03 1.01 98.66 0.27 0.00 0.00 0.00 21 I H H 96.43 2.08 14.91 16.90 91.93 48.96 -64.86 -41.98 3.27 0.01 96.72 0.08 0.15 3.15 96.22 0.39 0.01 0.00 0.00 22 I H H 95.38 2.23 15.05 17.31 92.09 48.53 -65.04 -41.92 5.15 0.02 94.83 0.23 0.38 4.59 93.90 0.87 0.02 0.01 0.01 23 F H H 107.58 2.91 14.48 18.14 92.18 48.66 -65.61 -40.88 4.10 0.03 95.87 0.60 0.45 2.95 94.29 1.68 0.01 0.01 0.01 24 Q H H 91.34 3.21 14.11 18.38 91.72 51.27 -64.09 -40.67 3.19 0.04 96.77 0.67 0.36 2.11 94.89 1.93 0.01 0.02 0.01 25 L H H 91.34 2.16 15.09 17.27 91.97 50.42 -65.00 -40.47 3.20 0.04 96.76 0.58 0.35 2.20 94.64 2.19 0.01 0.02 0.01 26 K H H 108.78 2.49 14.61 17.52 92.39 50.17 -65.08 -40.07 4.99 0.06 94.94 0.81 0.59 3.64 92.72 2.16 0.02 0.03 0.02 27 V H H 73.72 3.68 12.87 17.90 92.66 49.59 -66.90 -39.12 9.47 0.15 90.39 1.61 1.32 6.84 87.44 2.59 0.06 0.07 0.07 28 S H H 63.39 2.96 12.61 16.80 92.66 52.79 -67.92 -33.49 20.64 0.33 79.03 5.02 3.07 13.33 73.86 4.29 0.08 0.16 0.19 29 K H H 138.96 1.67 12.98 14.84 94.38 52.84 -74.67 -25.60 35.94 0.40 63.66 5.74 5.00 25.81 57.63 5.26 0.13 0.18 0.26 30 H C H 112.98 3.56 10.76 15.67 100.63 54.69 -85.70 -13.63 50.54 1.11 48.35 11.52 12.29 28.82 40.30 5.70 0.22 0.44 0.71 31 N C C 102.10 2.91 10.53 14.81 99.21 64.31 -76.70 -11.48 65.57 2.74 31.69 28.27 16.56 22.40 23.01 6.92 0.12 1.13 1.59 32 F C C 134.72 2.92 9.94 14.34 97.94 66.21 -75.11 -17.10 70.73 2.66 26.61 34.62 15.36 21.54 14.27 11.39 0.04 1.23 1.54 33 Y C C 155.17 2.67 9.67 13.76 99.53 62.06 -80.95 -13.08 75.51 2.24 22.25 33.84 17.15 25.47 10.46 10.71 0.03 1.03 1.31 34 H C C 139.88 2.20 9.96 13.35 103.22 55.77 -91.10 4.32 79.83 2.34 17.83 33.99 25.50 21.44 7.73 8.80 0.02 1.00 1.52 35 N C C 113.74 2.52 9.50 13.52 107.78 52.14 -98.09 99.31 95.87 1.29 2.83 63.83 28.85 3.27 1.28 1.42 0.00 0.50 0.87 36 P C C 88.42 4.61 7.83 14.39 110.23 -148.28 -71.03 144.95 90.67 1.27 8.07 66.36 11.88 12.31 2.54 5.53 0.00 0.67 0.70 37 E C C 152.36 1.22 10.26 12.28 112.58 -124.20 -87.07 134.19 89.63 2.78 7.60 63.14 15.24 10.99 2.65 4.93 0.00 1.34 1.70 38 L C C 118.39 3.76 7.80 13.59 113.42 -123.95 -82.69 134.16 91.13 2.82 6.05 77.42 9.92 3.60 3.08 2.84 0.00 1.34 1.79 39 T C C 87.07 3.29 8.96 14.18 117.63 -144.61 -96.20 139.41 92.30 1.27 6.43 81.66 8.49 2.19 4.77 1.57 0.00 0.56 0.76 40 P C C 95.27 2.50 9.59 13.56 108.01 -113.42 -68.70 143.76 77.97 1.35 20.67 65.58 5.99 6.68 13.71 6.58 0.00 0.67 0.79 41 T C C 93.62 3.36 8.53 13.51 100.05 -125.68 -74.68 -22.24 59.39 1.29 39.32 36.96 10.37 12.06 24.18 15.10 0.01 0.61 0.71 42 K C H 145.47 1.74 10.03 12.71 97.30 63.25 -72.96 -27.43 51.97 1.48 46.55 28.70 10.64 12.85 28.98 17.36 0.03 0.71 0.74 43 M C H 113.62 3.14 9.54 14.16 97.52 59.19 -76.79 -21.85 50.83 1.60 47.57 30.13 10.02 10.87 30.46 16.97 0.02 0.79 0.73 44 L C C 100.97 4.23 8.92 14.80 100.35 61.50 -78.34 -18.30 58.41 1.86 39.73 37.19 10.27 11.24 27.86 11.58 0.02 0.89 0.96 45 K C C 144.65 2.22 10.05 13.52 101.18 64.18 -81.89 -7.77 67.60 2.09 30.31 40.68 12.87 14.22 21.01 9.05 0.01 0.95 1.21 46 Q C C 119.12 3.19 8.79 13.62 107.53 72.57 -88.53 79.93 79.19 1.63 19.18 45.76 17.01 16.49 13.07 5.92 0.00 0.70 1.05 47 N C C 121.82 1.89 10.28 13.33 104.74 66.90 -87.99 31.14 89.32 1.22 9.46 45.59 29.08 14.88 5.55 3.59 0.00 0.49 0.81 48 T C C 74.35 4.71 8.56 15.14 115.36 110.41 -102.62 123.51 95.58 1.42 3.00 50.68 41.47 3.53 1.76 1.08 0.00 0.49 0.98 49 P C C 95.53 3.11 10.51 15.16 96.35 -148.62 -67.88 -20.82 85.47 1.30 13.23 41.65 18.69 25.82 5.83 6.66 0.00 0.59 0.77 50 W C C 155.52 4.54 8.82 14.92 100.47 66.08 -86.34 3.63 79.76 2.74 17.51 44.24 13.40 22.78 8.53 8.14 0.01 1.30 1.59 51 E C C 123.54 3.58 10.77 15.88 101.81 101.98 -81.76 -10.38 73.45 3.35 23.20 51.73 12.97 8.63 15.89 7.36 0.01 1.65 1.77 52 T C C 76.90 4.65 10.27 16.57 113.25 82.49 -92.76 130.36 65.43 3.14 31.43 44.55 11.75 9.36 23.67 7.65 0.01 1.69 1.32 53 K C H 128.36 3.46 11.75 16.54 101.52 -142.84 -76.55 -11.33 52.24 3.47 44.29 31.64 10.06 11.74 33.48 9.77 0.06 2.00 1.26 54 W H H 138.56 5.84 10.37 17.68 97.64 69.25 -71.64 -23.00 44.89 3.25 51.86 24.05 9.48 12.65 37.55 13.11 0.09 1.94 1.13 55 T H H 73.39 5.85 10.92 18.26 98.50 64.52 -75.60 -25.55 39.22 3.44 57.34 21.32 7.94 11.09 40.94 15.37 0.09 2.18 1.06 56 K H H 133.68 2.83 12.37 16.42 96.03 65.53 -76.58 -19.96 38.68 3.60 57.72 17.53 8.65 13.40 37.67 19.17 0.19 2.23 1.15 57 I H H 103.80 3.89 11.80 16.94 99.13 56.26 -82.62 -24.58 44.32 5.36 50.31 17.56 9.80 18.07 32.46 16.60 0.40 3.34 1.77 58 Y C C 123.77 5.98 10.52 17.84 102.82 54.60 -90.94 -9.64 54.49 7.87 37.64 25.68 14.26 16.78 23.41 12.02 0.41 3.75 3.69 59 L C C 86.77 5.00 10.00 16.65 108.04 80.97 -86.66 103.87 70.27 2.98 26.75 47.05 16.18 7.26 13.87 12.77 0.01 1.48 1.37 60 P H G 93.98 2.86 10.56 14.84 94.72 59.18 -65.81 -27.10 41.64 1.13 57.24 13.26 6.82 22.17 11.87 44.78 0.02 0.65 0.43 61 L H G 125.53 1.78 10.54 13.21 94.77 55.30 -75.63 -17.90 42.14 1.01 56.85 8.69 6.59 26.82 10.77 46.09 0.03 0.56 0.44 62 L H G 108.59 3.55 8.98 14.13 99.51 56.91 -88.92 -4.31 46.30 2.37 51.32 19.10 11.04 18.48 7.11 42.02 0.03 1.23 1.00 63 L C S 102.22 4.20 7.31 13.41 114.72 98.83 -90.07 131.21 92.04 2.64 5.32 39.25 47.59 5.52 1.83 3.08 0.00 1.06 1.67 64 P C C 110.40 1.64 8.58 11.67 109.65 -110.95 -69.79 136.87 95.89 1.49 2.61 88.13 2.36 5.76 0.88 1.30 0.00 0.73 0.83 65 L C C 124.48 3.03 9.47 14.39 106.80 -121.40 -78.97 96.51 99.86 0.10 0.04 99.64 0.17 0.10 0.02 0.01 0.00 0.05 0.02