# 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 125.98 3.74 9.39 14.92 115.48 -160.99 -98.47 129.79 99.89 0.09 0.03 99.79 0.09 0.05 0.01 0.00 0.00 0.04 0.02 1 S C C 85.49 2.04 7.79 11.55 113.78 -155.79 -97.34 131.28 94.76 2.34 2.90 88.60 1.38 5.48 1.17 1.04 0.00 1.28 1.05 2 F C C 162.05 1.76 7.17 10.45 108.06 -160.35 -95.01 97.39 89.61 4.55 5.84 59.84 20.69 8.77 2.49 3.25 0.00 1.94 3.02 3 L C C 112.94 2.79 6.99 11.53 112.84 90.54 -91.19 126.01 73.30 1.83 24.87 49.86 13.33 9.45 5.71 19.79 0.00 0.95 0.91 4 P C G 105.68 2.08 8.27 11.85 101.37 -117.42 -70.71 -13.45 61.97 0.97 37.06 30.93 8.81 21.83 5.60 31.89 0.00 0.52 0.42 5 S C G 94.65 1.04 8.52 10.19 101.66 53.55 -85.91 3.83 57.20 1.25 41.55 22.51 11.32 24.36 6.18 34.40 0.00 0.62 0.60 6 F C C 148.07 2.70 7.58 12.00 108.99 70.08 -92.49 95.47 66.32 2.44 31.24 38.47 14.71 13.01 5.42 25.98 0.00 1.20 1.20 7 I C C 129.14 1.87 9.04 12.51 116.64 129.00 -97.02 131.95 88.42 3.44 8.14 66.33 16.14 5.64 2.99 5.17 0.00 1.67 2.06 8 L C C 87.70 6.65 7.04 15.30 117.47 -134.07 -87.64 144.37 96.00 2.97 1.02 82.12 12.84 0.66 0.68 0.32 0.00 1.04 2.34 9 S C C 63.80 1.91 12.20 14.54 118.49 -114.21 -74.96 162.19 99.04 0.49 0.47 97.66 1.36 0.18 0.34 0.05 0.00 0.15 0.26 10 D H H 118.92 1.29 10.87 12.90 92.42 -102.02 -59.79 -38.16 3.41 0.01 96.58 0.95 0.76 1.63 96.18 0.48 0.00 0.00 0.00 11 E H H 131.80 0.99 12.40 12.79 92.17 51.69 -65.16 -40.12 2.10 0.01 97.89 0.38 0.24 1.30 97.56 0.52 0.00 0.00 0.00 12 S H H 47.30 3.58 11.41 16.76 92.19 49.61 -65.72 -40.62 1.09 0.01 98.90 0.34 0.13 0.56 98.45 0.52 0.00 0.00 0.00 13 K H H 104.38 3.35 12.58 17.24 91.81 51.19 -63.86 -40.91 0.36 0.00 99.64 0.12 0.03 0.15 99.58 0.12 0.00 0.00 0.00 14 E H H 111.19 1.67 14.59 15.96 91.79 49.95 -64.65 -40.80 0.38 0.00 99.62 0.09 0.03 0.20 99.64 0.06 0.00 0.00 0.00 15 R H H 133.62 1.78 14.83 16.38 92.04 50.13 -64.89 -41.37 0.31 0.00 99.69 0.07 0.02 0.16 99.71 0.04 0.00 0.00 0.00 16 I H H 87.69 2.98 14.29 18.02 92.02 49.60 -64.52 -41.49 0.22 0.00 99.78 0.04 0.01 0.12 99.80 0.02 0.00 0.00 0.00 17 S H H 56.47 2.75 14.56 18.07 91.79 50.98 -64.10 -40.68 0.27 0.00 99.73 0.04 0.01 0.15 99.77 0.02 0.00 0.00 0.00 18 K H H 120.58 1.76 15.24 16.68 92.24 50.34 -65.02 -41.06 0.26 0.00 99.74 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 19 I H H 96.63 1.89 15.21 16.76 92.04 49.44 -64.63 -41.97 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 20 L H H 89.97 2.45 14.58 17.42 91.99 49.41 -64.58 -41.40 0.25 0.00 99.75 0.04 0.01 0.16 99.73 0.07 0.00 0.00 0.00 21 T H H 76.54 2.44 14.69 17.59 92.11 50.22 -64.67 -40.98 0.71 0.00 99.29 0.05 0.03 0.55 99.25 0.12 0.00 0.00 0.00 22 L H H 98.03 1.70 15.34 16.54 91.97 49.91 -64.88 -40.81 1.52 0.00 98.48 0.11 0.08 1.18 98.47 0.16 0.00 0.00 0.00 23 T H H 74.70 2.07 15.02 17.05 92.15 50.01 -65.24 -40.61 2.72 0.01 97.28 0.51 0.30 1.61 97.31 0.26 0.00 0.00 0.00 24 H H H 104.65 3.01 14.16 18.05 92.56 50.79 -65.25 -40.33 2.92 0.02 97.07 0.67 0.31 1.83 96.29 0.89 0.01 0.01 0.01 25 N H H 87.37 2.62 14.32 17.56 92.72 51.22 -65.16 -41.00 2.86 0.04 97.11 0.59 0.30 1.89 95.79 1.40 0.01 0.02 0.01 26 V H H 90.87 1.70 14.58 15.94 92.81 49.45 -66.30 -40.49 3.07 0.07 96.87 0.62 0.32 2.03 94.97 2.00 0.01 0.04 0.02 27 A H H 65.82 2.35 13.53 16.37 93.52 49.74 -67.70 -36.09 7.25 0.13 92.62 0.95 0.65 5.61 88.83 3.80 0.04 0.08 0.04 28 H H H 117.82 2.73 12.71 16.35 94.83 50.40 -73.62 -32.84 18.69 0.14 81.16 1.50 1.35 15.86 75.96 5.11 0.09 0.08 0.07 29 Y H H 147.54 2.22 12.77 15.54 97.40 51.35 -76.98 -19.04 35.85 0.36 63.79 2.75 3.40 29.04 56.89 7.28 0.22 0.18 0.24 30 G C T 41.53 3.15 12.79 16.96 97.77 52.46 -66.61 -35.94 57.04 0.34 42.62 5.00 4.60 46.25 38.58 5.10 0.07 0.15 0.23 31 W H H 156.30 2.38 13.38 16.21 96.74 49.82 -72.73 -32.88 30.25 0.25 69.50 5.28 4.59 20.86 64.81 4.10 0.09 0.10 0.17 32 I H H 90.51 3.04 13.19 17.24 94.14 55.02 -66.50 -41.61 6.70 0.06 93.24 2.21 1.31 3.16 91.88 1.37 0.01 0.03 0.02 33 P H H 69.19 3.43 13.11 17.85 93.05 50.90 -64.45 -39.52 4.09 0.07 95.84 1.63 0.45 2.00 94.14 1.71 0.01 0.05 0.01 34 F H H 121.55 2.10 14.07 16.45 92.60 51.04 -65.46 -39.98 1.64 0.05 98.31 0.43 0.21 0.99 96.54 1.78 0.01 0.04 0.01 35 V H H 83.30 2.44 13.49 16.52 92.80 49.70 -65.80 -41.00 1.56 0.10 98.35 0.39 0.20 0.99 96.82 1.50 0.02 0.07 0.01 36 L H H 94.74 2.98 12.63 16.67 92.81 49.66 -65.67 -40.64 2.80 0.16 97.04 0.52 0.31 2.05 94.99 1.95 0.04 0.12 0.02 37 Y H H 147.48 2.06 12.57 15.27 93.17 49.48 -66.51 -37.88 7.36 0.18 92.46 0.73 0.64 6.30 90.03 2.06 0.08 0.11 0.05 38 L H H 108.48 1.80 12.54 14.55 93.94 50.70 -71.57 -29.90 28.67 0.49 70.84 2.03 2.57 24.47 66.97 3.20 0.27 0.24 0.25 39 G C H 41.83 3.30 12.05 16.58 97.58 50.44 -60.39 -20.57 53.28 0.49 46.24 7.08 4.69 40.59 43.14 3.91 0.08 0.22 0.29 40 W C H 141.02 4.51 9.97 16.12 97.66 68.13 -75.86 -20.73 56.79 1.86 41.35 21.96 9.92 26.68 31.80 7.60 0.11 0.86 1.07 41 A C T 72.98 3.38 10.54 15.39 98.66 66.18 -76.03 -19.46 62.80 2.97 34.23 24.04 13.91 26.35 25.34 7.29 0.15 1.37 1.55 42 H C C 156.21 1.12 10.66 12.03 99.98 53.06 -89.87 -0.95 73.74 2.32 23.93 29.11 18.56 27.25 16.13 6.60 0.05 1.01 1.29 43 T C C 82.99 3.74 8.32 13.84 118.84 79.84 -94.99 150.21 87.96 2.04 10.00 41.93 31.09 15.40 5.92 3.53 0.00 0.79 1.36 44 S C C 95.19 1.12 10.16 11.82 107.56 -103.08 -84.27 118.50 96.88 1.26 1.87 45.01 41.23 10.78 0.49 1.28 0.00 0.58 0.64 45 N C C 118.20 2.09 9.40 12.96 109.70 36.72 -85.68 119.95 97.49 1.40 1.11 58.12 33.57 5.82 0.27 0.81 0.00 0.63 0.77 46 R C C 157.65 3.56 10.05 15.62 116.30 -157.01 -95.19 134.52 98.21 1.57 0.21 85.77 12.14 0.33 0.10 0.09 0.00 0.65 0.91 47 P C C 67.46 7.00 8.89 17.74 115.64 -107.66 -67.44 150.98 97.70 1.64 0.66 95.11 2.25 0.53 0.37 0.16 0.00 0.61 0.97 48 N C C 89.45 2.94 12.63 16.56 115.90 -114.14 -81.40 151.48 94.71 3.85 1.43 88.75 4.51 0.67 1.09 0.28 0.00 1.01 3.68 49 F H H 139.03 3.79 9.73 15.35 92.69 -118.32 -61.19 -33.88 14.33 0.88 84.79 3.53 4.09 6.88 69.99 14.41 0.21 0.36 0.52 50 L H H 115.20 2.02 11.11 14.10 91.95 57.33 -65.95 -34.17 5.53 0.05 94.42 0.57 0.49 3.82 74.46 20.60 0.01 0.03 0.01 51 N H H 101.00 3.04 11.05 15.55 92.85 54.02 -72.04 -26.62 4.57 0.04 95.39 0.50 0.39 3.08 73.51 22.48 0.00 0.03 0.01 52 L H H 99.93 4.28 10.06 15.98 94.85 53.78 -77.62 -21.52 12.04 0.15 87.81 1.39 1.48 8.50 73.33 15.08 0.07 0.08 0.06 53 L H H 115.85 2.47 10.44 14.05 100.41 51.40 -92.02 -1.16 45.72 3.81 50.46 11.89 15.32 22.69 39.94 5.18 0.94 1.26 2.79 54 S C C 66.85 3.78 8.21 14.07 117.10 107.33 -91.49 138.42 95.46 2.43 2.11 49.97 38.85 6.93 0.98 0.98 0.00 1.06 1.22 55 P C S 111.66 1.73 9.63 12.65 106.07 -114.33 -71.02 127.85 96.91 1.42 1.67 34.72 46.96 15.36 0.34 1.31 0.00 0.71 0.61 56 L C C 119.74 2.83 7.01 11.88 115.78 -115.28 -89.66 137.17 93.84 2.69 3.47 47.60 38.25 7.83 0.73 2.76 0.00 1.18 1.65 57 P C C 107.62 2.01 8.24 11.91 109.79 -106.90 -69.54 140.50 92.80 1.71 5.49 58.00 13.60 20.59 0.85 5.28 0.00 0.99 0.69 58 S C C 93.28 1.44 7.55 10.56 112.23 -127.92 -89.77 128.51 93.73 1.76 4.50 76.74 2.87 14.74 0.84 2.99 0.00 1.10 0.72 59 V C C 111.87 3.26 8.94 14.01 106.26 -146.66 -89.09 89.43 99.80 0.17 0.03 99.65 0.14 0.07 0.01 0.01 0.00 0.09 0.02