# 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 140.05 2.27 8.90 12.82 113.80 -149.72 -91.05 133.90 99.92 0.06 0.01 99.84 0.09 0.03 0.01 0.00 0.00 0.03 0.01 1 T C C 108.39 1.76 6.90 10.47 114.79 -147.20 -93.32 134.51 95.01 2.78 2.21 92.33 0.86 2.53 0.82 0.76 0.00 1.43 1.28 2 K C C 168.05 0.99 7.26 9.40 114.63 -145.86 -95.49 132.31 91.82 3.85 4.32 63.28 16.03 12.44 1.18 3.15 0.00 2.20 1.71 3 G C C 54.80 2.36 6.64 10.94 119.83 -143.12 -103.13 163.96 91.36 3.42 5.22 60.47 18.22 12.61 1.21 4.13 0.00 2.04 1.32 4 K C C 164.58 1.20 8.28 10.62 114.48 -122.02 -96.92 136.82 88.32 4.58 7.09 64.49 16.24 7.41 2.24 4.88 0.00 2.52 2.21 5 R C C 174.99 2.05 7.45 11.31 114.33 -131.24 -92.42 128.77 88.08 4.67 7.24 67.25 13.24 7.42 2.09 5.24 0.00 2.78 1.97 6 T C C 104.37 2.01 8.41 11.99 112.61 -163.32 -100.24 121.35 90.27 3.79 5.93 61.56 18.38 10.31 1.58 4.39 0.00 2.20 1.58 7 F C C 147.03 3.04 7.67 12.64 115.80 -142.02 -98.69 128.31 91.49 4.06 4.44 62.55 22.17 6.38 1.51 2.95 0.00 1.81 2.63 8 Q C C 118.21 2.98 9.27 14.14 115.88 -166.35 -106.96 122.63 97.79 1.03 1.18 82.91 13.78 1.09 0.76 0.37 0.00 0.43 0.67 9 P C C 92.29 3.76 9.25 15.00 103.04 -126.51 -64.73 -17.92 82.94 0.84 16.22 44.08 8.81 30.58 9.95 5.68 0.00 0.43 0.46 10 N C C 106.52 3.15 10.26 14.81 103.61 50.88 -87.37 22.40 77.93 0.93 21.14 37.42 11.39 29.71 14.61 5.88 0.00 0.40 0.58 11 N C C 86.82 4.89 9.86 16.47 102.58 95.85 -87.22 13.33 58.77 1.25 39.97 40.95 12.21 6.02 35.48 4.20 0.01 0.46 0.68 12 R H H 148.08 2.90 11.42 15.63 94.63 101.98 -67.40 -35.30 20.95 0.47 78.58 13.69 3.91 4.51 74.87 2.64 0.01 0.23 0.15 13 R H H 146.19 1.75 13.58 15.45 92.93 55.34 -65.98 -39.86 10.42 0.43 89.15 6.13 1.76 3.31 85.54 2.88 0.01 0.26 0.10 14 R H H 112.46 4.41 12.81 18.70 93.06 51.49 -66.29 -39.90 6.57 0.36 93.07 3.57 1.10 2.44 89.39 3.17 0.01 0.25 0.07 15 A H H 44.85 7.10 11.53 20.34 92.37 52.17 -65.37 -38.92 6.50 0.33 93.17 3.12 1.05 2.79 89.47 3.24 0.02 0.22 0.08 16 R H H 151.08 2.21 14.59 17.21 93.86 50.08 -70.66 -35.49 9.76 0.46 89.79 3.72 1.58 5.02 85.96 3.25 0.05 0.28 0.14 17 V H H 90.48 2.68 14.72 17.69 98.13 42.88 -80.89 -37.01 17.46 0.48 82.06 4.59 3.07 10.38 78.98 2.43 0.10 0.22 0.22 18 H H H 100.81 4.67 13.72 19.52 100.74 35.28 -93.07 -21.02 40.92 0.73 58.35 9.90 9.69 21.83 55.95 1.86 0.08 0.26 0.44 19 G C H 28.51 5.78 14.49 21.75 106.92 52.55 -46.55 -81.27 51.39 0.71 47.90 21.88 12.53 17.60 43.76 3.53 0.03 0.27 0.39 20 F H H 95.87 7.66 13.18 22.00 93.91 11.20 -66.74 -36.82 15.05 0.25 84.70 4.35 2.86 8.62 76.97 6.84 0.10 0.13 0.13 21 R H H 135.23 3.32 14.79 19.19 92.16 54.26 -64.73 -39.63 6.85 0.14 93.01 1.69 1.01 4.11 83.86 9.14 0.04 0.09 0.04 22 L H H 87.85 3.00 15.57 19.10 92.58 50.48 -66.25 -38.74 5.52 0.11 94.37 1.17 0.69 3.37 81.52 13.11 0.03 0.07 0.03 23 R H H 100.41 6.50 13.40 21.46 93.19 51.90 -70.71 -29.44 10.88 0.14 88.98 1.69 1.25 7.43 76.40 13.03 0.07 0.08 0.06 24 M H H 78.96 8.34 10.81 20.65 96.06 59.65 -82.59 -3.44 42.49 0.33 57.18 6.62 3.83 31.21 47.72 10.18 0.06 0.15 0.24 25 R C T 171.79 1.48 14.54 16.01 93.92 82.64 -79.17 -16.05 76.10 0.56 23.34 13.62 15.03 47.17 18.17 5.34 0.03 0.19 0.45 26 T C S 65.33 3.61 11.28 16.65 124.04 73.33 -101.32 156.62 96.01 1.64 2.34 12.88 81.84 0.98 2.24 0.16 0.00 0.27 1.63 27 R H H 179.04 1.19 12.80 14.26 92.03 -116.08 -59.49 -37.70 5.48 0.01 94.51 0.53 1.22 3.40 94.20 0.63 0.01 0.00 0.01 28 A H H 72.51 1.51 14.29 15.50 91.79 52.40 -63.97 -39.98 4.16 0.00 95.84 0.28 0.31 3.29 95.30 0.81 0.00 0.00 0.00 29 G H H 19.68 7.44 11.73 21.53 92.07 50.55 -64.82 -40.73 2.08 0.00 97.91 0.34 0.18 1.36 97.20 0.92 0.00 0.00 0.00 30 R H H 122.59 4.58 14.80 20.76 91.58 51.70 -63.91 -40.57 0.96 0.00 99.04 0.28 0.09 0.48 98.83 0.31 0.00 0.00 0.00 31 S H H 65.07 1.63 17.78 18.14 92.01 50.40 -64.71 -41.08 1.30 0.01 98.69 0.31 0.12 0.69 98.75 0.13 0.00 0.00 0.00 32 I H H 82.53 3.43 17.12 21.02 92.20 49.00 -64.42 -42.70 0.60 0.01 99.38 0.21 0.06 0.28 99.38 0.07 0.00 0.01 0.00 33 V H H 47.31 7.87 14.43 24.11 91.93 49.40 -63.98 -42.53 0.24 0.00 99.76 0.05 0.01 0.12 99.77 0.04 0.00 0.00 0.00 34 S H H 51.65 2.83 16.85 20.05 91.37 50.54 -63.13 -41.29 0.40 0.00 99.60 0.06 0.02 0.23 99.61 0.08 0.00 0.00 0.00 35 S H H 54.92 2.05 16.17 17.97 91.71 50.47 -64.13 -41.08 0.80 0.00 99.20 0.09 0.04 0.52 99.18 0.16 0.00 0.00 0.00 36 R H H 102.24 4.91 13.34 19.69 92.24 50.23 -65.50 -40.29 1.71 0.01 98.28 0.28 0.14 1.08 98.12 0.36 0.00 0.00 0.00 37 R H H 128.67 4.32 12.32 18.14 91.82 51.60 -65.04 -39.24 4.41 0.03 95.56 0.81 0.37 2.92 94.99 0.87 0.01 0.01 0.01 38 R H H 179.10 0.83 13.43 13.38 91.87 51.62 -66.98 -31.68 13.33 0.08 86.59 1.08 0.89 11.18 85.75 1.02 0.03 0.03 0.04 39 K C T 144.54 1.44 11.74 13.37 95.04 52.15 -83.79 -7.28 67.45 0.13 32.43 1.61 3.22 60.06 33.66 1.31 0.01 0.04 0.09 40 G C T 49.85 2.98 11.25 15.45 100.36 -90.75 81.53 6.80 88.81 0.20 10.99 8.77 7.18 72.15 10.08 1.62 0.00 0.08 0.12 41 R C C 135.66 4.84 8.79 15.33 105.71 129.74 -80.87 65.36 76.37 1.08 22.55 56.28 9.42 10.50 11.58 11.05 0.00 0.48 0.69 42 R C C 169.40 2.17 10.55 14.06 108.54 77.74 -88.21 79.69 67.64 1.88 30.48 37.28 14.30 16.23 11.36 18.99 0.01 1.02 0.81 43 T C C 103.02 2.07 10.18 13.47 109.70 -135.30 -91.42 114.52 65.37 4.03 30.59 38.39 12.81 14.83 10.76 19.40 0.03 2.53 1.27 44 L C C 113.84 4.42 7.09 13.14 109.44 79.96 -89.84 106.94 68.90 6.73 24.37 45.21 12.00 11.95 10.74 13.54 0.02 4.32 2.23 45 S C C 86.06 1.97 8.46 12.00 114.21 98.21 -96.71 134.75 85.42 4.31 10.27 74.25 3.08 9.03 5.80 3.44 0.00 2.78 1.63 46 A C C 84.84 2.88 10.38 14.90 108.56 -118.63 -82.31 116.87 99.82 0.13 0.05 99.65 0.14 0.10 0.02 0.00 0.00 0.07 0.01