# 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 132.61 2.99 10.30 14.82 116.74 -155.16 -93.87 138.47 99.93 0.06 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 A C C 88.08 2.02 7.80 11.61 112.40 -123.34 -80.44 136.77 94.68 5.13 0.19 93.65 1.13 0.50 0.08 0.06 0.00 2.13 2.45 2 V C C 113.32 2.20 6.81 10.95 116.80 -138.46 -100.25 132.50 94.72 5.09 0.19 75.23 19.43 0.37 0.10 0.08 0.00 2.49 2.30 3 P C C 96.87 2.63 7.49 12.10 114.45 -108.14 -67.05 148.13 95.47 3.24 1.29 89.56 4.06 2.06 0.43 0.69 0.00 1.90 1.30 4 K C C 170.13 1.04 8.07 9.99 109.75 -124.87 -80.29 129.75 91.97 3.07 4.96 71.52 14.17 5.81 1.76 3.23 0.00 1.44 2.08 5 R C C 178.16 1.59 7.42 10.52 113.71 -117.54 -92.12 132.25 89.62 3.96 6.41 59.52 22.42 7.61 2.26 4.06 0.00 2.01 2.11 6 R C C 182.01 1.41 7.85 10.72 113.46 -152.63 -93.30 130.96 87.88 5.21 6.91 65.52 16.34 5.76 3.47 3.37 0.00 2.72 2.83 7 K C C 126.88 3.89 7.26 13.11 116.93 -135.09 -90.84 143.39 92.06 4.02 3.92 77.37 12.53 1.80 3.03 1.02 0.00 1.71 2.54 8 S C C 64.70 2.23 9.95 13.39 118.19 -118.26 -78.34 159.49 93.25 2.41 4.33 87.85 4.50 0.76 4.06 0.45 0.00 0.83 1.55 9 R H H 180.74 1.21 9.89 11.93 92.68 -107.32 -61.00 -36.54 13.64 0.14 86.23 4.38 2.70 7.29 81.90 3.57 0.03 0.06 0.07 10 S H H 78.11 1.03 11.40 12.09 92.70 54.41 -66.13 -38.70 14.25 0.21 85.54 4.73 2.24 8.27 80.24 4.29 0.03 0.12 0.09 11 N H H 82.24 2.62 11.20 14.97 94.15 49.70 -70.32 -36.66 11.39 0.46 88.15 6.15 2.28 4.62 81.56 4.90 0.03 0.31 0.14 12 T H H 64.74 3.90 10.64 16.27 92.98 53.81 -65.69 -40.77 8.60 0.33 91.07 4.62 1.50 3.44 87.79 2.32 0.02 0.21 0.10 13 R H H 151.59 1.33 13.15 14.22 92.85 50.89 -66.35 -38.49 11.03 0.36 88.61 4.93 1.60 5.39 85.25 2.47 0.03 0.22 0.12 14 S H H 67.64 1.67 12.81 14.47 93.32 51.62 -67.53 -38.09 17.72 0.43 81.84 7.47 2.80 8.58 78.08 2.62 0.04 0.23 0.18 15 R H H 133.16 2.86 11.59 15.48 95.00 52.62 -69.39 -36.13 24.84 0.71 74.45 11.66 4.31 10.44 69.69 3.21 0.04 0.34 0.32 16 R H H 138.17 2.88 11.19 15.30 94.97 55.36 -69.10 -34.13 28.27 0.74 71.00 14.98 4.33 10.24 63.87 5.86 0.02 0.37 0.33 17 S H H 73.86 2.01 11.08 13.96 94.99 58.33 -69.85 -30.11 35.08 0.51 64.41 13.14 4.87 16.39 53.33 11.74 0.02 0.26 0.25 18 Q H H 131.49 1.64 10.69 12.95 96.78 57.05 -77.37 -17.68 43.92 0.64 55.45 12.92 6.89 23.60 42.85 13.04 0.04 0.31 0.34 19 W C H 165.75 3.48 9.10 14.16 101.81 63.14 -88.59 5.53 57.13 1.80 41.07 25.09 12.36 20.36 31.12 9.31 0.05 0.84 0.88 20 K C C 149.54 1.94 10.84 14.05 112.78 102.58 -90.33 123.21 74.61 4.88 20.52 49.40 10.08 14.23 16.55 4.81 0.01 2.66 2.26 21 A C C 69.63 5.50 7.75 14.99 114.23 -129.39 -84.11 137.15 83.68 7.25 9.07 68.57 8.50 5.65 7.08 2.46 0.00 3.70 4.04 22 A C C 82.10 2.58 10.95 14.83 114.52 -139.71 -87.78 143.51 90.11 5.96 3.93 71.01 14.82 3.83 2.63 1.42 0.00 3.22 3.07 23 K C C 162.16 1.62 10.95 13.79 111.83 -100.16 -81.38 128.82 95.99 3.04 0.98 74.64 19.85 1.72 0.46 0.46 0.00 1.89 0.98 24 T C C 74.86 8.05 7.74 16.92 118.91 -132.89 -96.87 143.53 94.91 4.32 0.77 87.01 6.39 1.60 0.22 0.47 0.00 3.69 0.62 25 E C C 144.41 1.60 14.09 15.98 113.29 -127.37 -89.09 130.14 78.37 21.03 0.59 69.54 6.92 1.07 0.16 0.41 0.00 20.61 1.29 26 L E E 92.88 9.28 8.90 19.25 117.87 -141.22 -92.94 134.97 39.64 60.19 0.17 37.33 1.89 0.16 0.05 0.09 0.00 59.84 0.64 27 V E E 79.06 4.57 14.34 20.50 122.73 -169.70 -119.17 139.06 3.81 96.08 0.11 3.41 0.25 0.04 0.05 0.03 0.00 95.94 0.28 28 G E E 45.16 4.41 13.71 19.62 115.50 -114.77 -74.49 142.54 3.97 95.85 0.18 3.69 0.17 0.05 0.07 0.05 0.00 95.66 0.32 29 V E E 45.37 10.95 8.02 20.13 114.02 -143.04 -102.14 124.00 30.13 68.16 1.71 27.14 1.84 0.63 0.66 0.78 0.00 68.03 0.92 30 T C T 104.38 1.66 12.72 14.90 98.34 -156.10 -80.37 -21.47 61.84 26.41 11.76 21.58 13.97 27.69 2.06 8.26 0.04 25.18 1.22 31 V C T 104.16 3.02 10.09 14.34 99.52 54.07 -82.85 -28.90 74.62 13.85 11.53 13.49 15.39 46.73 2.62 8.37 0.05 11.59 1.77 32 A C T 79.08 2.55 9.99 13.61 101.23 30.94 -94.19 9.29 89.65 1.94 8.41 12.97 11.70 64.64 1.82 6.95 0.00 1.42 0.49 33 G C T 59.40 1.35 11.20 12.98 97.83 -100.36 80.67 3.14 93.78 4.19 2.02 26.88 15.03 51.90 0.25 1.86 0.00 3.63 0.45 34 H C E 118.29 3.98 9.45 15.20 118.34 116.51 -96.19 141.75 52.22 47.05 0.74 39.76 8.08 3.20 0.15 0.63 0.00 47.01 1.17 35 A E E 74.28 3.58 12.00 17.22 119.93 -130.75 -104.84 139.90 23.28 76.47 0.26 20.15 2.12 0.42 0.07 0.15 0.00 76.54 0.55 36 H E E 101.90 7.96 10.82 20.16 119.19 -145.31 -104.87 136.98 6.85 92.94 0.20 6.06 0.58 0.16 0.08 0.07 0.00 92.40 0.65 37 K E E 115.87 5.68 13.35 20.79 118.44 -162.84 -111.07 134.46 11.23 88.50 0.28 10.12 0.96 0.20 0.14 0.11 0.00 86.43 2.03 38 V C C 57.94 9.39 11.48 22.48 116.40 -136.48 -101.84 131.20 78.35 20.65 1.00 71.72 4.50 0.70 0.47 0.39 0.00 21.44 0.77 39 P C C 67.71 5.98 13.52 21.14 109.33 -108.08 -65.57 144.35 70.31 6.02 23.67 44.12 13.34 12.90 14.84 8.88 0.03 4.75 1.13 40 R C H 144.92 5.37 12.19 18.91 96.72 -118.44 -69.05 -22.58 54.47 2.94 42.59 24.40 13.07 17.42 25.04 17.17 0.11 1.70 1.09 41 R H H 154.50 2.67 14.33 17.74 96.83 62.52 -72.71 -28.61 46.90 5.66 47.44 18.91 11.21 17.42 28.59 18.25 0.27 3.65 1.71 42 L H H 78.68 7.56 13.50 22.19 99.21 48.05 -84.66 -14.06 43.18 13.25 43.56 20.89 9.60 14.11 28.43 13.93 0.52 9.30 3.22 43 L H H 48.19 11.07 11.46 23.66 101.90 70.67 -76.28 12.15 44.86 10.19 44.94 35.31 6.95 4.09 41.06 3.43 0.04 6.95 2.17 44 K H H 118.38 2.81 17.12 20.15 94.01 64.42 -64.13 -40.05 10.83 2.88 86.28 6.08 2.04 3.86 81.08 3.73 0.07 2.81 0.33 45 A H H 43.50 5.06 14.76 21.59 91.98 52.17 -65.23 -39.94 7.08 3.79 89.12 3.59 1.23 2.91 83.52 4.31 0.10 4.04 0.31 46 A H H 32.21 9.94 11.99 23.48 92.59 50.66 -66.26 -40.16 4.95 2.74 92.31 2.47 0.77 2.08 86.57 4.82 0.05 3.06 0.19 47 R H H 145.61 3.78 14.58 19.61 92.15 52.41 -66.35 -33.25 8.74 3.01 88.25 2.71 1.26 5.24 82.98 4.24 0.24 2.96 0.37 48 L C T 109.87 2.22 13.67 16.28 94.48 52.99 -83.57 -9.99 51.56 2.51 45.93 2.63 3.37 43.87 43.39 3.84 0.36 1.93 0.61 49 G C T 50.69 3.79 12.69 17.97 97.02 -107.06 78.69 6.42 86.34 0.58 13.08 3.79 5.63 75.92 12.39 1.69 0.01 0.35 0.23 50 L C S 102.64 3.76 12.96 17.91 97.02 110.35 -83.15 -20.30 83.80 4.54 11.66 20.33 37.37 26.89 7.61 3.47 0.14 2.55 1.64 51 I C S 65.37 9.63 9.43 20.29 120.98 52.08 -114.87 138.46 75.27 13.57 11.16 32.98 35.42 7.49 7.50 3.32 0.26 6.42 6.60 52 D C C 84.62 3.52 13.00 17.78 111.53 -144.73 -93.92 122.63 86.69 6.24 7.08 79.04 4.92 2.45 4.82 2.44 0.00 4.36 1.97 53 F C T 130.12 5.85 8.72 16.29 97.27 -158.64 -74.01 -18.48 68.49 4.12 27.39 25.10 11.67 31.53 5.86 21.93 0.05 2.53 1.33 54 D C T 120.47 1.18 9.83 11.46 97.61 67.97 -79.15 -5.42 72.87 2.16 24.97 16.21 14.11 41.91 4.86 20.79 0.02 1.23 0.86 55 K C C 146.14 2.14 7.95 11.73 104.39 77.55 -85.98 30.58 77.43 1.96 20.61 55.09 5.19 16.24 4.08 17.39 0.00 1.22 0.78 56 R C C 157.97 3.56 9.02 14.53 109.68 115.79 -87.78 108.93 99.81 0.12 0.07 99.63 0.14 0.11 0.03 0.01 0.00 0.05 0.03