# 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 107.02 4.86 10.84 17.21 112.76 -159.91 -97.65 121.59 99.84 0.09 0.07 99.78 0.07 0.05 0.04 0.00 0.00 0.04 0.01 1 W C C 165.80 2.86 8.53 12.84 105.84 -155.77 -82.67 34.63 69.15 2.97 27.87 62.89 1.05 5.82 24.66 2.81 0.00 1.40 1.37 2 R H H 165.93 1.43 8.36 10.75 96.39 88.69 -70.11 -33.01 38.62 1.95 59.44 22.26 6.95 11.28 49.09 8.53 0.05 1.13 0.70 3 I H H 120.08 1.48 8.70 11.02 94.53 57.51 -69.13 -36.32 16.75 0.90 82.36 6.45 2.87 7.36 61.95 20.46 0.06 0.64 0.21 4 W H H 162.61 2.38 8.56 12.35 95.16 53.70 -71.99 -30.46 9.22 0.38 90.41 2.81 1.29 4.44 65.87 25.20 0.02 0.29 0.07 5 L H H 110.20 2.53 9.08 13.00 95.90 58.09 -73.81 -27.71 12.82 0.42 86.77 2.87 1.72 7.11 65.12 22.73 0.07 0.27 0.12 6 L H H 122.74 1.37 10.52 12.27 97.32 49.21 -80.99 -24.87 26.22 0.58 73.20 4.76 4.21 17.09 60.17 13.00 0.17 0.31 0.28 7 F C H 124.41 3.55 9.29 14.49 111.89 50.44 -99.12 108.33 49.92 1.39 48.69 13.93 21.22 17.15 42.14 3.77 0.30 0.43 1.05 8 D C C 75.02 3.87 10.46 16.18 108.76 -145.76 -96.91 111.44 95.94 0.17 3.89 89.81 4.73 1.02 4.06 0.23 0.00 0.06 0.09 9 P H H 84.21 3.84 10.68 16.47 93.49 -160.33 -62.41 -33.59 13.96 0.07 85.97 4.68 1.54 7.65 81.93 4.11 0.01 0.03 0.04 10 R H H 152.29 1.64 12.89 14.84 92.33 54.56 -65.52 -39.05 6.94 0.03 93.02 1.13 0.65 4.88 88.86 4.43 0.01 0.02 0.01 11 R H H 133.36 2.05 13.49 15.94 92.43 49.82 -66.43 -39.75 4.36 0.04 95.60 1.05 0.46 2.62 90.59 5.24 0.01 0.02 0.01 12 A H H 50.66 3.43 12.27 17.33 92.01 51.41 -64.11 -41.01 3.41 0.03 96.56 1.10 0.41 1.75 95.06 1.65 0.01 0.01 0.02 13 L H H 91.98 2.39 13.91 16.91 92.02 50.62 -65.08 -40.78 1.65 0.01 98.34 0.53 0.19 0.77 98.19 0.30 0.00 0.00 0.00 14 V H H 84.66 1.81 14.63 16.29 91.77 49.92 -64.45 -41.63 0.47 0.00 99.53 0.12 0.03 0.23 99.50 0.12 0.00 0.00 0.00 15 L H H 89.85 2.03 14.40 16.59 91.63 49.88 -64.02 -41.18 0.24 0.00 99.76 0.04 0.01 0.13 99.73 0.09 0.00 0.00 0.00 16 L H H 91.29 2.57 14.01 17.26 91.86 50.03 -64.72 -40.87 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 17 F H H 117.03 2.38 14.27 17.18 92.08 50.41 -64.87 -40.79 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 18 V H H 88.91 1.62 15.09 16.22 91.95 50.23 -64.66 -41.57 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 19 F H H 121.27 1.87 14.82 16.57 92.01 49.52 -65.14 -41.19 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 20 L H H 89.67 3.02 14.19 18.14 92.12 50.32 -64.63 -41.35 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 21 F H H 120.37 2.19 15.15 17.53 91.92 50.09 -64.60 -41.05 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 22 G H H 39.32 1.80 15.77 17.11 91.84 50.13 -64.29 -41.73 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 23 L H H 89.54 2.39 15.70 18.22 92.09 49.33 -64.94 -41.45 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 24 A H H 48.36 4.37 13.91 19.97 91.74 51.52 -63.19 -41.42 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 25 I H H 97.48 2.18 16.00 18.13 91.78 50.44 -64.74 -41.28 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 26 I H H 98.26 1.72 16.41 17.38 91.88 50.01 -64.53 -41.83 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 27 I H H 84.80 3.53 15.13 19.56 92.04 49.27 -64.53 -42.04 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 28 H H H 91.04 5.07 13.99 20.54 92.12 50.80 -64.00 -41.22 0.20 0.00 99.80 0.01 0.01 0.14 99.74 0.09 0.00 0.00 0.00 29 F H H 123.47 1.77 15.62 17.05 91.75 50.11 -64.40 -41.09 0.29 0.00 99.71 0.01 0.01 0.23 99.53 0.22 0.00 0.00 0.00 30 I H H 98.78 1.93 15.34 17.05 92.04 49.53 -65.05 -41.47 0.64 0.00 99.36 0.03 0.03 0.53 98.86 0.54 0.00 0.00 0.00 31 L H H 73.76 5.60 12.49 19.80 92.34 49.52 -65.69 -37.83 2.83 0.01 97.16 0.13 0.14 2.55 95.88 1.29 0.01 0.00 0.00 32 L H H 96.67 4.09 12.22 17.90 92.60 53.69 -71.41 -25.80 20.14 0.05 79.81 0.87 1.00 18.35 77.76 1.94 0.03 0.02 0.03 33 S C T 84.11 1.40 13.03 14.37 95.23 55.66 -85.52 -6.87 59.48 0.35 40.17 5.58 5.34 46.98 38.91 2.78 0.04 0.14 0.23 34 T C S 59.53 5.82 8.26 16.20 117.20 92.22 -87.79 148.62 84.45 1.77 13.78 28.94 45.59 9.74 10.99 2.77 0.02 0.54 1.42 35 S C T 96.36 1.15 11.74 13.24 94.82 -133.72 -69.13 -18.06 64.29 0.56 35.15 12.21 16.81 36.16 12.73 21.37 0.02 0.26 0.45 36 R C T 163.54 1.91 11.55 14.40 97.50 66.31 -78.01 -14.69 61.43 0.82 37.74 13.02 12.61 36.18 13.45 23.74 0.03 0.39 0.59 37 F C C 100.03 7.17 8.71 17.33 105.78 51.86 -95.07 42.50 59.23 2.52 38.24 26.35 13.74 20.16 13.11 23.90 0.05 1.17 1.53 38 N C C 90.19 4.49 11.15 17.31 104.60 139.21 -86.30 60.34 71.67 2.61 25.73 48.40 9.96 13.06 11.96 13.84 0.01 1.31 1.48 39 W C T 166.77 3.72 10.52 15.80 96.67 141.17 -75.50 -13.96 65.96 1.88 32.16 20.60 14.33 32.25 10.09 20.60 0.04 0.88 1.21 40 L C T 114.55 2.90 10.09 14.52 101.35 61.13 -88.13 -6.64 68.65 3.44 27.91 24.58 15.85 29.74 8.84 17.39 0.06 1.61 1.93 41 D C C 112.22 2.04 10.51 13.88 106.31 79.84 -86.80 55.51 78.09 2.79 19.11 41.47 20.09 16.87 6.79 11.78 0.01 1.23 1.76 42 G C C 43.69 3.88 10.08 15.66 122.00 27.19 114.61 173.74 89.18 1.34 9.49 49.85 31.10 8.54 4.23 4.82 0.00 0.54 0.92 43 P C C 104.44 2.33 10.51 14.07 107.36 -55.71 -71.53 138.34 78.89 1.23 19.88 47.89 13.41 17.52 6.52 13.35 0.00 0.62 0.69 44 R C C 169.23 2.32 9.13 13.19 108.17 -125.11 -84.61 118.96 74.96 2.50 22.54 45.97 12.33 16.81 7.37 14.98 0.00 1.30 1.25 45 A C C 79.01 3.33 7.63 12.90 110.20 -130.16 -83.40 129.69 77.93 2.57 19.50 54.32 11.67 12.01 6.59 12.78 0.00 1.38 1.25 46 A C C 85.87 2.20 7.59 11.53 111.47 -126.79 -85.75 133.55 90.52 1.55 7.93 83.18 1.71 7.13 2.90 3.51 0.00 0.81 0.77 47 K C C 161.75 1.58 10.40 13.23 108.57 -119.33 -85.34 117.29 99.93 0.05 0.02 99.84 0.08 0.05 0.01 0.00 0.00 0.02 0.01