# 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 132.67 3.28 11.28 16.29 113.50 -164.20 -93.71 128.32 99.55 0.42 0.03 99.32 0.26 0.08 0.01 0.01 0.00 0.26 0.06 1 G C C 48.28 3.57 10.01 15.37 123.29 -144.92 -119.35 173.38 91.72 7.99 0.29 89.41 1.72 0.96 0.10 0.16 0.00 6.04 1.60 2 K C C 159.38 1.70 11.04 13.88 114.63 -88.19 -89.70 136.67 79.10 20.36 0.54 66.04 10.42 1.84 0.19 0.43 0.00 15.30 5.78 3 V C C 94.97 6.03 8.35 16.12 116.82 -134.92 -101.57 130.92 76.93 22.39 0.68 68.88 5.82 1.44 0.26 0.46 0.00 16.03 7.11 4 H C C 136.95 3.09 11.21 15.75 114.08 -158.96 -99.75 131.96 80.39 17.66 1.95 49.37 17.51 14.07 0.62 1.39 0.01 12.83 4.19 5 G C S 45.71 3.68 13.84 18.43 112.88 5.05 92.74 -146.62 92.01 5.55 2.44 24.71 45.90 22.05 0.62 1.60 0.00 3.57 1.55 6 S C C 52.92 5.13 13.52 20.02 120.74 6.91 -97.08 153.57 88.74 5.75 5.51 56.68 28.90 2.50 4.01 1.36 0.01 1.57 4.97 7 L H H 82.61 8.15 11.60 21.19 93.09 -116.98 -62.63 -33.07 26.89 0.57 72.53 3.57 4.25 18.06 40.40 32.98 0.14 0.32 0.29 8 A H H 60.06 5.08 12.99 19.60 91.97 59.53 -64.95 -36.93 20.55 0.50 78.95 2.24 2.29 14.22 43.67 37.00 0.10 0.33 0.15 9 R H H 156.69 2.33 14.05 17.07 92.54 52.41 -71.98 -25.55 18.73 0.87 80.41 2.84 2.49 11.84 44.61 37.27 0.15 0.54 0.24 10 A H T 55.29 6.46 10.71 18.75 94.85 59.27 -82.13 -7.59 45.98 0.98 53.04 3.23 5.46 34.99 32.96 21.68 0.40 0.50 0.79 11 G C T 52.85 2.97 13.96 17.90 98.11 -108.54 78.41 10.55 90.36 0.71 8.93 8.37 9.24 72.92 4.80 3.84 0.01 0.40 0.43 12 K C C 124.30 4.13 12.18 17.79 102.58 114.93 -93.16 14.90 82.58 6.89 10.53 54.97 13.81 12.88 4.62 5.78 0.03 2.98 4.94 13 V C C 70.92 7.92 8.15 17.39 116.39 91.81 -99.53 125.23 77.92 12.69 9.40 55.67 14.18 6.22 5.03 4.36 0.03 4.75 9.75 14 K C T 161.75 1.53 10.77 13.47 109.62 -120.56 -72.18 128.53 80.43 6.21 13.36 14.69 12.49 52.86 3.33 9.70 0.05 3.51 3.37 15 G C T 65.77 0.68 11.61 11.55 98.49 9.11 75.74 0.85 87.09 1.41 11.50 8.68 14.45 63.51 1.93 9.90 0.00 0.89 0.64 16 Q C C 129.30 2.40 9.51 13.42 107.04 80.62 -95.84 5.44 84.94 4.49 10.58 38.50 28.08 18.32 2.22 8.04 0.01 1.97 2.86 17 T C C 84.19 4.23 8.53 14.70 119.92 69.35 -104.88 135.47 93.81 5.02 1.18 59.15 32.30 2.22 0.53 0.59 0.00 1.85 3.36 18 P C C 87.96 3.87 10.14 15.77 112.62 -105.08 -68.30 148.50 94.50 2.32 3.17 63.14 20.64 10.66 1.36 1.86 0.00 1.35 1.00 19 K C C 162.98 1.41 10.69 13.24 112.23 -117.73 -82.79 129.84 91.78 5.47 2.75 70.53 15.32 4.84 1.38 1.40 0.00 2.22 4.32 20 V C C 85.86 6.10 6.62 14.36 118.30 -156.89 -101.89 136.07 94.96 2.17 2.87 84.50 9.53 0.66 2.32 0.57 0.00 0.89 1.53 21 P C C 101.36 1.48 10.52 12.72 114.63 -107.60 -66.26 149.26 92.94 0.85 6.21 89.72 2.38 1.67 3.84 1.54 0.00 0.41 0.44 22 K C C 163.36 1.51 8.04 11.16 111.03 -103.23 -72.52 136.72 77.66 1.19 21.15 59.38 10.77 7.48 10.55 10.53 0.00 0.56 0.72 23 Q C C 131.18 2.23 7.12 11.18 114.46 -143.85 -93.39 137.20 76.51 1.69 21.80 60.05 10.07 6.48 10.81 10.87 0.00 0.84 0.87 24 E C C 151.91 1.44 7.95 10.57 110.45 -122.50 -84.21 124.71 77.64 1.63 20.74 65.39 7.90 4.76 11.37 8.95 0.00 0.82 0.81 25 K C C 149.99 2.08 7.14 10.98 113.37 -133.57 -89.39 132.24 83.67 1.17 15.16 70.79 8.95 4.35 10.56 4.15 0.00 0.57 0.63 26 K C C 158.86 1.47 7.38 10.41 112.84 -130.03 -86.84 132.86 87.52 1.36 11.12 76.98 6.70 3.99 8.15 2.75 0.00 0.66 0.77 27 K C C 154.60 1.87 7.39 10.97 112.45 -142.19 -89.60 134.32 87.95 2.09 9.96 70.42 12.85 4.29 7.84 2.30 0.00 0.91 1.38 28 E C C 150.04 1.33 9.05 11.53 114.82 -129.36 -91.99 134.44 88.84 2.04 9.13 70.02 14.62 3.85 7.47 1.92 0.00 0.94 1.16 29 A C C 76.17 3.71 7.50 13.20 112.68 -114.52 -75.90 136.68 86.38 2.50 11.12 72.30 9.10 4.41 9.58 2.07 0.00 1.26 1.29 30 V C C 106.54 2.20 8.63 12.33 117.35 -167.84 -108.97 144.48 85.33 2.80 11.86 70.62 9.98 3.73 11.16 1.64 0.00 1.24 1.62 31 G H H 47.06 1.67 11.73 13.59 114.48 -1.02 54.34 -155.44 46.73 1.45 51.82 30.22 11.90 5.85 48.07 2.69 0.01 0.55 0.70 32 R H H 167.22 1.32 11.56 12.98 94.55 -32.03 -66.67 -33.73 14.71 0.49 84.80 8.73 3.04 5.05 78.92 3.80 0.03 0.26 0.17 33 A H H 55.03 3.81 10.21 15.78 93.11 54.84 -65.49 -38.74 8.92 0.65 90.43 5.36 1.74 3.45 84.62 4.17 0.04 0.45 0.17 34 K H H 119.15 2.57 12.39 15.94 92.49 53.10 -65.13 -39.52 4.86 0.57 94.57 2.62 1.00 2.04 90.11 3.63 0.04 0.45 0.11 35 K H H 125.55 1.56 13.81 15.17 92.35 51.38 -65.27 -40.01 4.28 0.63 95.09 1.81 0.80 2.16 91.38 3.17 0.05 0.48 0.14 36 R H H 127.80 2.75 13.18 16.79 92.77 51.20 -66.04 -39.16 4.99 0.62 94.38 1.77 0.74 2.86 90.29 3.63 0.07 0.49 0.16 37 L H H 81.59 4.61 11.90 18.11 93.31 52.93 -66.59 -37.10 8.11 0.42 91.47 2.44 0.99 5.05 86.67 4.29 0.10 0.31 0.16 38 L H H 105.42 2.26 13.41 16.18 93.68 55.12 -68.39 -35.10 18.16 0.44 81.40 3.62 1.76 12.81 77.19 4.02 0.14 0.25 0.22 39 Y H H 150.01 2.06 12.70 15.16 96.97 48.57 -81.48 -22.95 35.62 1.01 63.37 8.84 5.67 22.37 58.44 3.42 0.24 0.44 0.59 40 N C H 78.40 5.41 10.64 17.62 104.61 61.32 -91.79 45.22 50.20 2.15 47.65 27.47 9.06 15.48 40.47 5.36 0.07 1.00 1.09 41 K H H 130.64 3.70 11.65 16.83 95.61 83.87 -68.09 -23.73 36.54 1.78 61.68 13.68 5.47 16.83 38.61 23.58 0.08 1.10 0.64 42 R H H 157.09 2.32 12.40 15.61 94.12 67.68 -69.88 -25.06 35.92 2.31 61.78 10.87 5.60 18.42 37.80 24.94 0.13 1.53 0.70 43 F H H 118.12 5.19 10.87 17.41 100.62 49.90 -92.47 -7.77 36.27 6.88 56.84 13.10 6.65 16.61 34.56 22.25 0.38 4.76 1.68 44 I C H 102.92 5.41 10.75 17.55 99.35 77.54 -80.76 -22.40 50.28 12.98 36.74 17.99 10.30 22.26 27.08 9.20 1.06 8.58 3.53 45 S C T 85.88 1.90 12.59 15.04 102.41 48.91 -95.57 24.50 69.19 8.92 21.88 25.45 11.98 32.32 15.17 6.50 0.20 6.04 2.35 46 A C C 59.07 5.85 8.89 16.67 116.33 116.16 -85.68 136.57 88.09 7.96 3.95 61.70 23.52 3.01 2.98 1.31 0.01 4.90 2.57 47 P C C 100.17 2.74 10.30 14.82 113.44 -128.42 -85.06 138.23 82.78 12.76 4.46 71.06 7.26 3.33 3.06 1.72 0.00 8.01 5.55 48 V C C 107.30 3.28 8.82 13.93 114.60 -150.25 -97.35 128.28 79.18 15.14 5.68 56.67 15.25 6.25 3.29 2.64 0.04 7.13 8.72 49 G C C 50.39 2.25 8.90 12.59 122.67 -137.88 -109.46 173.56 86.53 8.33 5.14 50.86 23.61 12.22 1.72 3.34 0.02 3.90 4.33 50 L C T 148.11 0.77 8.67 9.81 108.05 -52.06 -73.03 122.80 90.47 2.32 7.20 13.35 17.75 59.20 1.52 5.67 0.00 1.39 1.12 51 G C T 66.33 0.58 9.96 10.05 100.07 6.30 80.81 0.32 92.53 1.34 6.13 11.38 18.87 62.06 0.99 5.29 0.00 0.84 0.56 52 G C C 48.36 3.33 8.33 13.45 119.19 105.25 -107.12 170.84 87.49 7.00 5.51 45.64 30.13 11.62 1.05 4.59 0.01 3.53 3.43 53 K C C 156.10 1.55 10.57 13.24 117.28 -97.81 -92.97 138.97 84.71 12.01 3.28 68.19 10.88 4.76 1.13 2.31 0.00 7.55 5.17 54 R C C 153.33 4.45 8.61 15.13 115.10 -113.82 -80.72 139.14 79.10 17.84 3.06 64.95 8.54 3.98 1.24 1.92 0.00 9.11 10.25 55 A C C 74.82 3.92 8.94 14.74 114.82 -121.50 -84.41 144.26 90.57 7.70 1.73 62.20 23.81 4.32 0.57 1.24 0.00 4.28 3.59 56 Q C C 133.13 2.07 9.76 13.29 116.78 -108.51 -84.63 140.97 95.47 3.76 0.77 64.69 28.80 2.10 0.23 0.56 0.00 2.04 1.58 57 P C C 106.50 2.77 8.87 13.44 110.92 -101.01 -68.41 141.53 91.94 2.77 5.29 57.81 14.47 19.18 0.97 4.79 0.00 1.63 1.14 58 N C C 111.74 3.19 7.90 12.97 110.69 -123.58 -89.11 123.79 91.47 3.13 5.40 59.33 14.34 17.29 1.18 4.53 0.00 1.69 1.63 59 K C C 163.71 1.53 9.38 11.97 101.46 -161.46 -86.76 3.04 89.64 3.76 6.61 53.88 24.01 11.52 1.70 4.83 0.00 1.78 2.28 60 Q C C 121.31 2.84 8.09 12.85 114.70 98.46 -92.37 131.42 93.50 3.29 3.21 53.85 35.55 4.15 1.26 1.68 0.00 1.44 2.06 61 P C C 102.28 2.53 8.85 13.04 109.53 -113.88 -68.51 144.17 86.07 2.48 11.45 66.98 7.97 10.53 2.76 9.16 0.00 1.44 1.16 62 A C T 90.97 1.90 8.71 12.11 108.03 -109.91 -77.94 122.14 79.11 2.71 18.18 30.80 16.47 32.34 3.06 14.66 0.01 1.42 1.24 63 G C C 56.04 2.42 8.97 12.98 111.39 -2.30 -54.64 132.67 75.78 4.91 19.31 30.38 18.05 28.34 3.07 15.61 0.03 2.85 1.68 64 K C C 148.64 2.64 8.09 12.71 115.67 -106.12 -96.45 134.59 77.36 9.94 12.70 57.59 10.22 9.43 3.45 9.25 0.02 6.31 3.73 65 L C C 132.73 2.00 7.98 11.80 115.14 -158.44 -98.48 135.64 85.06 10.70 4.24 76.53 2.65 5.72 1.97 1.77 0.00 6.76 4.60 66 G C C 54.87 2.36 11.91 15.44 113.45 5.99 82.21 -98.57 99.32 0.62 0.06 98.81 0.44 0.20 0.02 0.01 0.00 0.44 0.08