# 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 S C C 89.66 1.97 11.26 14.43 115.79 -155.21 -96.10 132.28 99.88 0.11 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 V C C 104.08 3.93 7.45 13.47 117.32 -157.96 -107.19 129.53 86.81 11.79 1.41 85.00 0.95 1.27 0.59 0.44 0.00 9.53 2.22 2 A C C 89.86 1.41 9.13 11.89 116.01 -151.27 -94.09 132.02 82.01 16.27 1.72 69.64 8.30 3.25 0.66 1.03 0.00 14.21 2.92 3 L C C 119.54 4.07 6.81 12.83 115.45 -152.33 -97.82 128.05 84.33 14.42 1.25 68.22 13.87 1.94 0.55 0.76 0.00 10.83 3.83 4 A C C 77.93 2.51 9.69 13.81 118.76 -139.13 -96.30 144.19 94.81 4.88 0.31 83.10 11.19 0.70 0.12 0.18 0.00 3.84 0.87 5 P C C 109.17 2.21 10.38 14.23 112.66 -102.60 -68.64 143.62 96.48 2.37 1.15 86.22 7.84 2.63 0.35 0.68 0.00 1.68 0.60 6 H C C 131.08 4.67 7.50 14.04 113.62 -140.88 -95.77 128.16 92.96 4.71 2.32 83.64 6.31 2.80 0.94 1.22 0.00 2.44 2.65 7 V C C 116.47 2.13 9.13 12.73 111.14 -151.60 -92.15 127.07 90.54 3.82 5.64 57.93 12.77 20.22 1.79 3.51 0.00 2.43 1.36 8 G C C 55.52 2.64 9.75 13.82 106.66 11.90 -36.79 55.69 90.98 2.49 6.53 51.43 15.44 24.59 2.20 3.91 0.00 1.41 1.03 9 M C C 124.42 3.60 9.08 14.37 106.49 116.15 -88.77 63.18 83.58 2.78 13.65 48.22 17.77 18.05 6.81 6.35 0.01 1.37 1.43 10 G C C 51.25 2.97 11.51 15.56 106.98 -30.18 8.58 -28.87 81.17 2.01 16.81 44.51 17.43 19.53 10.32 6.18 0.01 0.97 1.05 11 L C C 103.21 4.79 9.57 15.93 105.02 60.26 -84.07 34.74 62.08 2.40 35.53 39.53 11.84 11.11 25.90 9.24 0.01 1.23 1.12 12 D C C 98.56 3.38 11.51 16.34 105.83 66.22 -85.39 39.33 58.24 2.38 39.38 36.56 11.66 10.55 31.64 7.33 0.02 1.32 0.94 13 T C H 80.70 4.23 11.56 17.20 104.77 67.72 -84.21 4.51 50.02 1.99 47.99 32.03 11.24 7.87 40.54 6.49 0.02 1.08 0.71 14 R H H 136.07 4.29 11.87 17.59 99.53 57.75 -74.09 -25.16 39.54 1.68 58.77 26.99 7.38 6.58 51.64 5.91 0.01 0.96 0.54 15 T H H 77.10 5.27 11.72 18.42 99.12 66.67 -74.51 -28.01 34.94 1.38 63.68 23.51 5.96 6.77 55.11 7.40 0.01 0.81 0.43 16 Q H H 115.13 3.41 12.61 17.31 98.32 66.48 -74.33 -27.89 32.48 1.53 65.98 19.77 6.19 7.92 54.37 10.32 0.03 0.92 0.48 17 T H H 87.18 3.27 13.04 17.37 99.24 57.00 -78.11 -28.76 35.43 2.02 62.55 19.14 6.57 10.72 50.07 11.54 0.06 1.26 0.64 18 W H H 142.38 5.47 11.98 18.84 100.42 53.85 -80.26 -22.85 43.53 2.82 53.65 20.76 9.29 15.04 42.11 10.03 0.13 1.61 1.03 19 M C C 97.65 6.84 11.88 20.10 103.62 58.48 -88.99 12.89 63.44 4.06 32.50 37.25 14.16 12.14 27.24 5.48 0.05 2.09 1.59 20 S C C 56.23 4.07 14.49 19.58 117.10 112.47 -88.55 165.64 76.13 3.40 20.47 54.47 13.34 6.85 19.81 2.47 0.01 1.53 1.51 21 A H H 68.17 5.26 12.78 19.48 95.11 -97.05 -64.13 -36.57 33.51 0.64 65.86 10.85 10.44 14.12 60.32 3.63 0.08 0.27 0.30 22 E H H 130.64 1.73 15.85 17.32 94.35 51.28 -67.24 -38.06 24.25 0.24 75.51 5.48 4.93 14.43 71.70 3.16 0.06 0.10 0.13 23 G H H 24.95 5.61 14.46 21.94 93.98 50.64 -65.47 -39.45 20.65 0.30 79.05 9.16 3.88 8.72 75.06 2.89 0.02 0.14 0.14 24 A H H 34.26 10.32 12.94 24.63 92.77 53.63 -64.17 -40.99 6.18 0.08 93.74 3.23 0.91 2.28 92.47 1.03 0.00 0.04 0.03 25 W H H 142.23 3.99 17.29 21.99 92.52 51.26 -65.30 -40.39 1.85 0.03 98.13 0.80 0.25 0.81 97.70 0.43 0.00 0.01 0.01 26 R H H 135.71 2.10 19.17 20.50 92.24 50.81 -65.25 -40.91 0.84 0.01 99.15 0.33 0.10 0.38 98.96 0.22 0.00 0.00 0.00 27 Q H H 62.98 9.05 16.67 26.87 92.31 50.08 -65.05 -41.21 0.67 0.01 99.33 0.22 0.07 0.33 99.22 0.15 0.00 0.00 0.00 28 V H H 47.93 11.13 16.38 28.45 92.16 50.20 -64.21 -41.40 0.35 0.00 99.65 0.10 0.03 0.18 99.62 0.07 0.00 0.00 0.00 29 E H H 100.66 3.04 20.12 22.83 91.82 50.79 -64.00 -41.17 0.30 0.00 99.69 0.07 0.02 0.17 99.69 0.06 0.00 0.00 0.00 30 K H H 103.73 3.75 19.82 23.67 91.97 49.88 -65.38 -40.93 0.55 0.00 99.45 0.09 0.04 0.35 99.45 0.07 0.00 0.00 0.00 31 V H H 32.41 13.72 15.81 30.27 92.11 49.52 -64.92 -41.84 0.55 0.00 99.45 0.09 0.04 0.33 99.46 0.08 0.00 0.00 0.00 32 E H H 80.11 8.10 18.11 27.10 91.81 51.07 -63.93 -40.72 1.03 0.00 98.97 0.18 0.07 0.63 98.95 0.16 0.00 0.00 0.00 33 T H H 74.68 1.94 20.11 20.58 91.68 49.83 -65.06 -41.21 2.44 0.01 97.54 0.30 0.17 1.77 97.30 0.45 0.01 0.00 0.00 34 W H H 87.94 7.01 16.46 24.92 92.33 49.78 -65.57 -40.87 1.90 0.01 98.09 0.24 0.16 1.35 97.17 1.07 0.01 0.00 0.00 35 A H H 24.98 13.57 11.62 26.00 91.87 53.06 -64.98 -37.37 3.25 0.01 96.74 0.27 0.19 2.64 94.83 2.06 0.01 0.00 0.00 36 L H H 115.41 2.41 15.44 18.24 92.50 50.17 -70.70 -32.34 12.10 0.01 87.89 0.31 0.46 11.53 86.00 1.67 0.01 0.00 0.01 37 R H H 170.33 1.18 15.53 15.76 95.43 44.38 -81.32 -27.82 19.21 0.03 80.77 0.63 1.91 16.59 79.92 0.88 0.04 0.01 0.03 38 H C C 79.56 7.19 11.02 20.02 112.32 33.39 -129.66 85.39 99.52 0.13 0.35 77.26 21.87 0.33 0.32 0.05 0.00 0.03 0.15 39 P H H 86.49 5.12 13.07 20.29 93.55 -173.94 -62.19 -32.88 33.72 0.04 66.24 1.81 1.49 30.03 59.33 7.29 0.01 0.02 0.03 40 G H H 43.13 3.08 16.75 20.28 92.00 56.98 -64.11 -35.11 26.35 0.03 73.62 1.07 1.17 23.94 68.25 5.51 0.02 0.01 0.02 41 F H H 70.27 10.00 15.97 27.02 92.59 53.51 -66.68 -37.88 4.05 0.02 95.94 0.94 0.38 2.40 92.23 4.03 0.00 0.01 0.00 42 T H H 35.98 13.01 15.38 29.13 91.86 53.87 -63.29 -41.84 0.63 0.00 99.37 0.18 0.05 0.30 98.99 0.48 0.00 0.00 0.00 43 I H H 91.39 3.85 21.12 24.84 91.76 50.19 -64.04 -42.21 0.13 0.00 99.87 0.02 0.01 0.07 99.76 0.14 0.00 0.00 0.00 44 L H H 76.02 5.44 20.96 26.70 91.55 49.56 -64.54 -42.33 0.05 0.00 99.95 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 45 A H H 21.34 14.24 17.20 32.30 91.54 50.81 -63.35 -41.92 0.04 0.00 99.96 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 46 L H H 64.53 9.74 19.58 29.72 91.72 50.64 -63.33 -42.32 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 47 F H H 107.34 3.98 21.81 25.60 91.74 49.94 -64.15 -42.23 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 48 L H H 57.65 9.35 19.15 29.18 91.83 50.03 -64.31 -41.27 0.32 0.00 99.68 0.02 0.01 0.25 99.51 0.21 0.00 0.00 0.00 49 A H H 25.72 14.05 15.84 30.64 91.47 52.02 -63.78 -40.10 1.04 0.00 98.96 0.05 0.04 0.88 97.72 1.32 0.00 0.00 0.00 50 H H H 103.64 6.77 18.54 25.66 92.32 50.53 -67.29 -36.33 4.63 0.00 95.37 0.14 0.16 4.43 92.90 2.37 0.00 0.00 0.00 51 Y H H 132.33 5.03 18.35 23.53 95.78 47.54 -80.99 -24.53 11.94 0.03 88.03 0.59 0.72 10.61 86.07 1.96 0.02 0.01 0.02 52 I H H 72.35 10.94 14.47 25.91 100.73 62.55 -82.92 -6.52 41.95 1.08 56.97 7.66 7.61 27.56 53.66 2.23 0.19 0.38 0.72 53 G C C 37.85 8.63 14.63 23.84 106.02 34.67 -68.32 29.32 87.69 1.69 10.62 45.02 11.63 30.53 9.46 1.77 0.00 0.79 0.80 54 T C C 83.33 6.37 13.99 21.58 106.56 103.96 -93.87 7.44 91.51 2.45 6.04 42.48 36.98 12.22 4.18 1.80 0.00 1.04 1.30 55 S C C 53.67 4.60 15.74 21.24 122.62 36.54 -106.31 156.00 89.75 2.65 7.59 51.26 33.93 4.28 6.68 1.30 0.00 0.80 1.75 56 L H H 103.42 6.06 13.65 21.20 92.70 -113.27 -62.63 -34.77 13.49 0.16 86.34 5.86 3.89 4.35 84.59 1.15 0.01 0.06 0.09 57 T H H 81.51 3.11 16.90 20.32 92.13 54.82 -64.59 -40.49 7.56 0.09 92.35 2.86 1.17 3.48 91.37 1.04 0.01 0.04 0.04 58 Q H H 60.91 9.68 15.56 26.42 92.27 50.08 -66.01 -39.95 3.29 0.05 96.66 1.60 0.46 1.29 95.84 0.77 0.00 0.02 0.01 59 K H H 66.79 12.29 15.44 28.22 92.02 52.39 -63.97 -41.11 0.98 0.02 99.00 0.44 0.11 0.39 98.83 0.21 0.00 0.01 0.00 60 V H H 72.50 4.57 19.18 24.31 91.82 50.67 -64.31 -42.05 0.25 0.00 99.75 0.07 0.02 0.12 99.74 0.05 0.00 0.00 0.00 61 V H H 67.67 5.22 19.32 25.03 91.63 50.12 -64.04 -42.47 0.09 0.00 99.91 0.02 0.00 0.05 99.91 0.02 0.00 0.00 0.00 62 I H H 45.97 12.24 17.14 30.21 92.08 49.15 -64.49 -42.74 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 63 F H H 79.21 9.38 17.73 27.90 91.88 49.90 -63.80 -41.80 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 64 I H H 87.73 3.53 19.01 22.69 91.55 50.13 -64.08 -42.10 0.08 0.00 99.92 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 65 L H H 70.78 6.83 17.55 25.31 91.72 50.06 -64.87 -41.39 0.17 0.00 99.83 0.01 0.00 0.13 99.75 0.11 0.00 0.00 0.00 66 L H H 53.33 11.80 15.03 27.62 91.87 50.43 -65.16 -39.03 0.46 0.00 99.54 0.02 0.01 0.39 99.15 0.43 0.00 0.00 0.00 67 M H H 94.94 5.87 16.09 23.01 91.78 51.60 -65.70 -36.04 3.52 0.00 96.48 0.09 0.10 3.46 94.92 1.43 0.00 0.00 0.00 68 L H H 106.24 3.02 16.33 19.47 92.92 52.21 -70.92 -31.56 19.86 0.02 80.13 0.42 0.64 19.48 77.59 1.84 0.02 0.01 0.01 69 V H H 73.72 6.95 13.73 21.80 99.08 45.75 -88.53 -18.96 32.37 0.23 67.40 2.18 4.05 26.50 64.57 2.30 0.15 0.08 0.18 70 T H H 53.14 10.18 10.40 21.43 107.42 81.31 -76.17 136.98 46.73 1.02 52.25 24.99 11.76 10.20 26.97 25.10 0.02 0.49 0.48 71 P H G 88.29 3.49 13.00 17.55 97.44 17.31 -67.82 -24.85 41.41 0.84 57.76 18.03 5.74 16.92 23.32 35.16 0.01 0.48 0.34 72 S H G 78.76 3.39 11.03 15.75 98.55 57.23 -78.78 -9.30 40.53 1.63 57.84 16.09 6.16 18.26 21.56 36.33 0.04 0.92 0.63 73 M C C 119.69 4.62 8.83 15.13 101.75 68.91 -85.93 1.62 63.95 2.51 33.54 49.07 3.51 13.34 15.93 15.48 0.00 1.39 1.27 74 T C C 94.56 3.93 11.22 16.82 110.18 128.87 -91.71 110.77 99.91 0.06 0.03 99.81 0.09 0.06 0.01 0.00 0.00 0.03 0.01