# 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 K C C 147.93 2.56 10.62 14.93 118.45 -157.29 -100.61 138.04 99.91 0.08 0.02 99.83 0.08 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 83.46 2.77 7.55 12.35 116.76 -139.02 -94.83 140.88 93.14 3.54 3.32 89.56 1.15 3.18 1.31 1.27 0.00 1.83 1.69 2 R C C 182.96 1.33 7.42 10.17 110.24 -156.55 -94.36 110.39 88.94 4.73 6.32 55.02 14.54 19.62 1.85 4.23 0.00 2.65 2.08 3 G C C 55.88 1.92 8.48 11.83 110.93 0.53 73.64 -63.61 88.65 2.93 8.42 44.61 22.95 21.43 1.91 6.24 0.00 1.48 1.37 4 N C C 118.11 2.34 8.49 12.36 108.62 -13.79 -92.01 93.07 86.05 3.36 10.59 56.67 17.46 11.76 2.82 7.84 0.00 1.74 1.71 5 T C C 102.34 2.26 8.83 12.64 103.65 125.01 -88.95 4.48 87.36 3.46 9.18 48.88 23.10 15.70 2.84 6.01 0.00 1.70 1.77 6 Y C C 161.63 2.77 9.02 13.43 107.37 78.29 -92.90 78.68 89.60 3.10 7.30 56.72 22.88 9.84 3.19 3.90 0.00 1.29 2.19 7 Q C C 105.53 4.16 9.03 15.14 113.79 140.07 -100.54 119.73 95.48 0.88 3.63 82.79 11.18 1.46 3.00 0.66 0.00 0.33 0.59 8 P C C 89.99 3.80 10.31 15.97 100.63 -137.04 -66.04 -18.58 72.74 0.83 26.43 44.34 6.86 21.41 20.01 6.51 0.00 0.42 0.46 9 S C C 71.09 3.72 10.59 15.83 103.83 63.26 -80.67 33.69 67.11 1.05 31.84 38.55 8.76 19.87 25.20 6.55 0.00 0.47 0.59 10 T C H 71.06 5.42 10.50 17.64 101.38 72.72 -86.30 3.76 49.32 1.38 49.30 35.87 8.61 5.23 45.38 3.72 0.00 0.57 0.63 11 L H H 97.45 3.25 11.82 16.46 95.15 85.57 -66.50 -39.96 13.26 0.32 86.42 8.72 2.35 2.74 84.43 1.51 0.00 0.15 0.09 12 K H H 127.06 1.64 13.96 15.44 93.27 51.93 -65.90 -40.64 6.94 0.25 92.81 3.92 1.08 2.28 90.88 1.63 0.01 0.15 0.05 13 R H H 108.91 4.37 12.37 18.35 93.32 51.02 -66.26 -39.29 4.76 0.21 95.04 2.44 0.75 1.89 92.86 1.88 0.01 0.13 0.04 14 K H H 95.43 7.06 11.74 20.28 92.66 51.46 -65.46 -38.94 4.05 0.13 95.81 1.73 0.62 1.89 93.74 1.89 0.01 0.08 0.03 15 R H H 151.11 2.35 14.04 17.06 94.17 48.05 -70.85 -36.53 6.19 0.16 93.66 1.73 0.84 3.69 91.49 2.07 0.05 0.08 0.05 16 T H H 91.61 1.86 15.25 16.87 98.48 40.62 -80.48 -37.65 13.08 0.13 86.79 1.66 1.58 9.63 85.25 1.69 0.08 0.05 0.07 17 F H H 109.67 4.72 13.56 19.51 102.83 26.52 -103.57 -13.23 35.54 0.33 64.14 4.75 6.91 23.94 62.61 1.38 0.09 0.10 0.23 18 G C H 24.17 6.52 14.96 23.12 119.65 -116.41 82.47 -164.53 52.51 0.46 47.03 30.45 12.34 8.40 46.80 1.59 0.00 0.14 0.27 19 F H H 97.36 8.37 13.64 23.06 93.47 -47.14 -64.85 -37.88 6.50 0.04 93.45 1.56 1.22 3.58 92.00 1.58 0.03 0.02 0.02 20 L H H 97.33 2.62 16.47 19.35 92.09 52.45 -64.35 -40.77 2.28 0.01 97.70 0.49 0.29 1.33 96.10 1.78 0.00 0.01 0.00 21 A H H 46.95 3.74 16.03 20.86 91.99 51.20 -64.39 -40.31 1.40 0.01 98.59 0.25 0.14 0.86 95.46 3.28 0.00 0.00 0.00 22 R H H 75.02 8.98 13.03 23.61 92.09 51.12 -67.86 -34.07 2.28 0.01 97.71 0.21 0.16 1.67 94.09 3.86 0.00 0.00 0.00 23 A H H 52.80 7.08 12.58 21.33 91.75 58.62 -69.65 -22.28 18.71 0.02 81.27 0.66 0.74 17.65 77.28 3.64 0.01 0.01 0.01 24 K C T 159.48 1.00 15.67 15.49 94.10 59.18 -80.34 -15.09 67.10 0.06 32.83 2.09 4.17 60.19 30.84 2.61 0.01 0.02 0.06 25 S C S 45.92 5.13 9.94 17.28 124.33 79.93 -94.53 158.02 98.03 0.43 1.54 7.87 89.21 0.82 1.48 0.08 0.00 0.06 0.48 26 K H H 166.27 0.81 13.99 14.03 91.98 -113.38 -59.87 -36.97 16.63 0.02 83.35 0.54 2.35 13.78 82.04 1.25 0.03 0.00 0.01 27 Q H H 116.09 2.01 14.59 16.79 92.18 50.63 -66.17 -37.85 15.27 0.01 84.73 0.52 1.07 13.27 83.97 1.15 0.01 0.00 0.01 28 G H H 13.68 9.48 11.25 23.01 91.81 52.00 -63.60 -41.52 4.31 0.01 95.68 0.87 0.49 2.61 95.08 0.95 0.00 0.00 0.00 29 S H H 52.27 4.08 15.18 20.59 91.76 51.46 -63.77 -41.01 1.16 0.00 98.84 0.37 0.11 0.53 98.74 0.25 0.00 0.00 0.00 30 K H H 119.79 1.51 18.73 18.61 91.87 50.34 -64.88 -41.22 0.76 0.00 99.24 0.23 0.07 0.36 99.21 0.12 0.00 0.00 0.00 31 I H H 66.14 5.04 16.30 22.66 91.78 49.96 -64.07 -42.89 0.34 0.01 99.66 0.11 0.02 0.15 99.65 0.06 0.00 0.00 0.00 32 L H H 56.11 8.29 14.40 24.23 91.94 50.30 -63.47 -41.88 0.17 0.00 99.83 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 33 K H H 116.30 1.94 17.50 18.83 91.57 50.49 -63.90 -41.08 0.27 0.00 99.73 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 34 R H H 128.12 1.77 16.33 17.47 91.93 50.08 -64.75 -40.62 0.54 0.00 99.46 0.06 0.03 0.36 99.43 0.13 0.00 0.00 0.00 35 R H H 90.21 6.33 12.58 20.45 92.13 50.36 -64.93 -40.79 1.46 0.00 98.53 0.21 0.10 0.96 98.31 0.41 0.00 0.00 0.00 36 K H H 116.63 3.51 12.94 17.83 91.84 51.15 -64.61 -39.56 4.53 0.02 95.45 0.60 0.31 3.22 94.57 1.28 0.01 0.01 0.00 37 L H H 125.68 0.96 13.67 13.63 91.82 51.97 -67.06 -32.61 13.76 0.05 86.19 0.95 0.88 11.63 85.06 1.42 0.02 0.02 0.02 38 K C T 130.78 2.07 11.68 14.40 95.03 52.89 -82.53 -10.38 61.61 0.19 38.21 2.60 4.74 52.02 38.55 1.87 0.03 0.06 0.13 39 G C T 43.71 3.52 11.26 16.32 101.29 -106.85 77.18 10.71 84.93 0.36 14.71 15.24 8.77 60.83 10.76 4.03 0.00 0.15 0.21 40 R C C 136.47 4.11 9.84 15.55 97.63 123.39 -75.09 -18.20 71.23 1.47 27.31 48.00 9.63 13.01 12.07 15.81 0.00 0.76 0.72 41 W C C 174.96 2.80 10.33 14.50 98.72 64.80 -79.74 -14.13 66.25 3.10 30.65 38.53 12.13 15.32 12.15 18.86 0.01 2.01 0.99 42 F C C 144.02 2.47 9.32 13.24 101.87 70.79 -84.59 -0.49 65.42 5.30 29.28 42.66 10.37 12.29 11.33 18.09 0.02 3.90 1.34 43 L C C 120.77 2.89 7.86 12.34 103.47 70.53 -84.70 -0.27 71.93 5.67 22.40 46.26 11.74 13.83 9.64 12.81 0.01 4.14 1.56 44 S C C 82.83 2.31 7.79 11.71 109.90 78.03 -94.35 92.14 86.46 2.89 10.65 73.26 3.13 11.10 5.01 4.48 0.00 2.06 0.94 45 H C C 142.27 2.97 9.89 14.50 108.09 -139.46 -88.66 87.78 99.91 0.05 0.04 99.71 0.13 0.10 0.01 0.00 0.00 0.03 0.01