# 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 125.10 3.78 10.41 15.67 111.58 -151.35 -87.42 122.62 99.93 0.06 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.02 0.01 1 T C C 91.79 3.38 8.43 13.59 112.08 -166.57 -94.15 124.56 88.41 3.09 8.51 85.08 1.17 3.55 4.68 2.40 0.00 1.48 1.63 2 T C C 97.93 2.39 8.90 12.71 107.58 -152.38 -89.74 7.65 71.60 4.44 23.97 48.31 12.43 10.91 9.44 14.43 0.01 2.30 2.18 3 F H G 141.81 3.45 8.35 13.43 99.25 68.36 -79.64 -10.38 45.15 2.08 52.77 21.07 9.15 16.31 10.28 41.29 0.01 1.17 0.72 4 N H G 118.63 2.10 10.11 13.49 98.94 69.32 -81.54 -7.17 46.27 1.23 52.50 13.64 9.19 24.23 10.63 41.11 0.01 0.65 0.55 5 N C G 116.99 1.98 10.33 13.40 102.15 58.68 -92.72 12.75 51.24 1.47 47.29 20.15 11.55 21.41 9.14 36.26 0.01 0.71 0.76 6 L C C 83.04 5.87 7.87 15.71 116.23 116.12 -86.52 140.21 82.36 1.29 16.35 42.25 36.47 4.47 11.86 3.57 0.00 0.40 0.97 7 P C C 79.60 3.19 11.40 16.00 111.59 -106.51 -67.03 147.23 72.92 0.77 26.31 61.66 4.72 7.24 14.98 10.61 0.00 0.39 0.40 8 S H G 80.83 2.84 10.21 14.54 96.63 -112.16 -65.57 -29.79 28.43 0.66 70.91 8.93 5.05 14.40 21.07 49.89 0.02 0.36 0.28 9 I H G 128.03 1.22 11.21 12.57 93.55 60.65 -68.92 -31.97 30.44 0.33 69.23 2.80 3.92 21.82 21.25 49.82 0.03 0.17 0.19 10 F H G 116.54 3.43 11.29 16.06 95.98 49.50 -77.98 -23.48 24.33 0.25 75.41 3.01 2.68 16.47 30.66 46.87 0.04 0.13 0.14 11 V H H 67.12 5.48 10.61 18.21 93.09 70.52 -63.12 -42.53 8.57 0.10 91.33 3.22 1.86 3.79 83.88 7.15 0.01 0.04 0.04 12 P H H 78.98 2.51 13.88 17.08 91.79 51.44 -64.09 -38.51 5.90 0.07 94.03 1.25 0.58 3.74 85.70 8.66 0.01 0.04 0.02 13 L H H 101.45 1.76 14.88 16.34 92.69 49.57 -66.36 -40.34 3.61 0.05 96.33 0.62 0.37 2.41 87.63 8.91 0.01 0.04 0.02 14 V H H 76.13 3.50 13.81 18.47 92.52 49.36 -65.98 -40.43 3.55 0.05 96.40 0.66 0.44 2.33 91.15 5.36 0.01 0.03 0.02 15 G H H 34.31 4.36 13.07 19.09 92.31 51.60 -65.24 -39.75 15.40 0.05 84.55 0.80 0.74 13.98 79.23 5.17 0.03 0.02 0.03 16 L H H 107.29 1.76 15.02 16.50 93.10 48.82 -67.76 -38.32 37.23 0.06 62.71 0.72 1.45 34.90 59.16 3.65 0.05 0.02 0.05 17 V H H 87.96 2.00 15.25 17.02 94.03 47.12 -69.15 -40.94 12.35 0.03 87.62 0.49 1.10 10.80 86.34 1.21 0.04 0.01 0.02 18 F H H 111.82 2.92 14.59 18.20 92.53 50.31 -65.22 -41.72 3.02 0.00 96.98 0.93 0.43 1.37 96.77 0.49 0.00 0.00 0.00 19 P H H 69.52 3.20 14.28 18.55 91.82 50.48 -64.21 -40.55 0.98 0.00 99.02 0.29 0.07 0.48 98.80 0.35 0.00 0.00 0.00 20 A H H 62.27 1.98 15.69 17.45 91.95 50.81 -64.33 -41.10 0.15 0.00 99.85 0.02 0.01 0.08 99.72 0.16 0.00 0.00 0.00 21 I H H 99.91 1.80 16.21 17.44 92.19 49.28 -64.92 -41.70 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 22 A H H 53.21 3.16 14.59 18.74 91.77 50.08 -63.58 -41.75 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 23 M H H 102.75 2.31 15.60 18.06 91.85 49.98 -64.39 -41.06 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 59.08 1.92 15.53 17.22 91.57 50.64 -63.52 -41.51 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 25 S H H 59.07 2.21 15.17 17.50 91.73 50.23 -64.32 -40.93 0.36 0.00 99.64 0.03 0.01 0.25 99.66 0.06 0.00 0.00 0.00 26 L H H 88.83 2.52 14.54 17.53 91.74 50.52 -64.39 -41.23 0.38 0.00 99.62 0.03 0.02 0.25 99.60 0.10 0.00 0.00 0.00 27 F H H 115.81 1.93 14.36 16.33 91.47 50.53 -64.12 -41.40 0.53 0.00 99.47 0.07 0.03 0.35 99.35 0.20 0.00 0.00 0.00 28 L H H 92.34 1.72 13.92 15.56 91.73 50.51 -64.48 -41.24 0.87 0.01 99.12 0.12 0.05 0.59 98.91 0.33 0.00 0.01 0.00 29 H H H 108.92 1.90 12.91 15.12 92.33 49.73 -65.43 -40.31 2.12 0.04 97.84 0.31 0.16 1.50 97.38 0.60 0.00 0.03 0.01 30 I H H 99.56 1.90 11.62 14.09 92.77 49.13 -66.58 -39.58 5.11 0.15 94.75 0.95 0.53 3.44 94.02 0.91 0.01 0.10 0.03 31 Q H H 117.57 1.60 10.99 13.08 94.11 51.01 -70.10 -32.54 14.25 0.27 85.48 3.11 1.77 9.21 84.24 1.39 0.02 0.15 0.09 32 K H H 145.29 1.39 10.31 12.18 95.65 55.05 -75.65 -21.74 34.51 0.45 65.04 6.91 4.76 23.06 62.65 2.16 0.05 0.20 0.22 33 N C H 116.20 1.79 9.01 11.90 101.63 55.88 -88.58 6.20 58.13 1.10 40.77 18.38 9.91 29.43 38.61 2.68 0.03 0.50 0.45 34 K C C 144.47 2.18 7.75 11.65 109.12 126.46 -86.33 110.75 77.46 4.11 18.42 45.02 12.99 18.87 15.55 3.74 0.01 2.53 1.28 35 I C C 133.61 1.64 7.32 10.51 107.38 -148.24 -89.35 99.71 88.66 4.73 6.61 80.21 2.02 6.55 5.22 1.22 0.00 3.03 1.73 36 F C C 151.33 2.67 9.59 13.94 110.63 42.88 -94.67 107.56 99.88 0.10 0.01 99.85 0.05 0.03 0.01 0.00 0.00 0.05 0.01