# 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 R C C 126.82 6.44 11.07 19.06 119.07 -157.23 -95.36 139.25 99.89 0.10 0.02 99.46 0.45 0.02 0.01 0.00 0.00 0.04 0.02 1 S C C 60.77 3.02 11.22 15.61 115.92 -113.70 -72.99 156.22 83.84 5.07 11.09 81.98 0.89 1.31 10.78 0.40 0.00 1.27 3.37 2 F H H 154.52 1.83 10.14 13.14 92.48 -110.75 -61.47 -36.45 4.73 0.02 95.25 1.35 0.80 2.56 94.35 0.92 0.00 0.01 0.01 3 A H H 67.80 2.02 11.15 14.02 92.10 53.71 -65.25 -38.93 1.66 0.01 98.33 0.38 0.20 0.95 97.42 1.03 0.00 0.00 0.00 4 D H H 81.16 2.74 11.96 15.86 92.37 51.24 -65.80 -39.31 0.78 0.01 99.21 0.25 0.10 0.40 97.97 1.29 0.00 0.00 0.00 5 I H H 96.01 2.15 12.86 15.60 92.17 50.54 -65.13 -41.52 0.93 0.02 99.05 0.25 0.10 0.54 98.31 0.78 0.00 0.01 0.01 6 I H H 95.66 2.03 14.20 16.35 92.48 49.02 -65.55 -41.45 2.13 0.09 97.78 0.55 0.25 1.30 97.33 0.48 0.01 0.06 0.02 7 T H H 65.05 3.21 13.79 18.13 92.47 49.72 -65.66 -41.01 7.68 0.16 92.16 1.96 1.02 4.34 92.11 0.43 0.01 0.07 0.06 8 S H H 55.28 3.02 14.06 18.06 92.48 52.22 -64.68 -40.76 11.36 0.19 88.45 4.62 1.53 4.32 89.02 0.37 0.00 0.08 0.07 9 I H H 97.66 1.84 15.13 16.65 91.99 50.07 -64.93 -41.47 2.78 0.05 97.18 1.21 0.36 1.11 97.05 0.24 0.00 0.02 0.01 10 R H H 132.46 2.26 14.83 17.43 92.20 50.59 -65.36 -40.81 1.27 0.04 98.69 0.46 0.12 0.65 98.50 0.22 0.00 0.03 0.01 11 Y H H 119.49 3.31 13.98 18.29 92.11 50.43 -65.17 -41.16 0.65 0.03 99.32 0.22 0.06 0.35 99.17 0.17 0.00 0.03 0.01 12 W H H 145.76 2.12 14.57 16.96 92.07 50.82 -64.76 -41.37 0.41 0.02 99.57 0.11 0.03 0.24 99.46 0.13 0.00 0.02 0.00 13 I H H 96.28 1.96 14.99 16.88 92.07 49.06 -64.83 -42.03 0.50 0.02 99.48 0.09 0.04 0.34 99.38 0.14 0.00 0.01 0.00 14 I H H 88.22 3.08 14.24 18.17 92.41 48.25 -65.45 -41.41 1.02 0.03 98.95 0.18 0.09 0.70 98.74 0.26 0.00 0.02 0.01 15 H H H 106.68 3.58 13.54 18.34 92.60 49.03 -66.79 -37.54 2.89 0.01 97.10 0.36 0.23 2.19 96.46 0.75 0.01 0.01 0.01 16 S H H 68.73 2.43 14.21 17.12 93.52 50.48 -72.00 -34.30 10.69 0.02 89.29 0.67 0.64 9.31 87.61 1.73 0.01 0.01 0.01 17 I H H 105.39 2.31 14.40 16.93 99.77 41.86 -86.68 -35.18 31.64 0.08 68.28 1.36 2.19 27.75 66.31 2.23 0.06 0.03 0.06 18 T H H 67.78 4.47 13.69 19.36 99.54 40.67 -84.92 -32.05 30.93 0.12 68.94 3.87 2.98 23.81 66.80 2.36 0.03 0.04 0.10 19 I H H 86.07 4.06 13.79 19.17 93.89 58.07 -64.63 -42.40 10.88 0.05 89.07 4.26 2.37 4.17 87.99 1.17 0.00 0.02 0.03 20 P H H 73.97 2.75 15.40 18.66 92.41 50.17 -64.57 -40.15 6.54 0.04 93.41 2.81 0.72 2.79 92.27 1.37 0.00 0.02 0.02 21 S H H 57.40 3.19 15.33 19.22 92.52 51.06 -65.41 -39.77 1.91 0.02 98.07 0.65 0.22 0.98 96.67 1.46 0.00 0.01 0.01 22 L H H 86.69 4.11 14.88 20.00 92.46 50.60 -65.72 -40.39 1.10 0.02 98.88 0.26 0.11 0.68 97.99 0.95 0.00 0.01 0.00 23 F H H 114.80 3.56 15.68 19.90 92.58 49.32 -65.67 -41.15 1.77 0.07 98.16 0.33 0.18 1.25 97.42 0.73 0.01 0.05 0.02 24 I H H 95.20 2.37 16.60 18.90 92.12 48.89 -65.01 -41.66 1.45 0.04 98.51 0.28 0.14 0.96 98.29 0.29 0.00 0.02 0.01 25 A H H 53.77 3.18 16.08 19.96 91.87 50.48 -63.94 -40.87 1.64 0.01 98.35 0.23 0.11 1.21 98.06 0.37 0.00 0.00 0.00 26 G H H 28.84 5.42 14.62 21.74 91.96 51.19 -63.97 -40.75 2.16 0.01 97.84 0.22 0.12 1.66 97.51 0.47 0.01 0.00 0.00 27 W H H 134.36 3.51 15.96 20.19 91.98 50.77 -64.60 -41.30 1.12 0.01 98.87 0.15 0.09 0.81 98.22 0.72 0.01 0.01 0.00 28 L H H 92.94 2.42 16.30 18.81 92.05 50.23 -65.28 -41.19 1.55 0.03 98.41 0.21 0.13 1.17 97.53 0.92 0.02 0.02 0.01 29 F H H 105.13 3.68 15.03 19.65 92.65 48.19 -65.88 -40.77 3.81 0.11 96.08 0.58 0.42 2.87 94.78 1.20 0.05 0.06 0.03 30 V H H 73.15 5.35 13.71 20.42 93.10 49.46 -67.05 -39.96 9.27 0.28 90.45 1.61 1.30 6.72 88.55 1.42 0.13 0.14 0.12 31 S H H 71.05 2.85 14.37 17.91 94.16 52.61 -70.05 -29.52 21.87 0.25 77.88 2.74 2.50 16.90 75.97 1.55 0.10 0.11 0.13 32 T C T 80.82 2.98 13.92 17.46 97.37 47.48 -85.48 -13.69 59.94 0.40 39.67 3.26 8.09 46.76 39.38 2.00 0.09 0.15 0.29 33 G C T 41.93 5.17 13.02 19.70 97.24 -112.90 71.62 2.59 60.34 0.53 39.13 8.56 11.16 39.18 37.91 2.59 0.06 0.19 0.34 34 L H H 91.58 3.05 14.40 18.32 94.96 92.77 -69.15 -37.59 24.26 0.32 75.42 8.71 4.17 12.19 68.90 5.65 0.05 0.16 0.16 35 A H H 39.56 6.46 12.49 20.92 93.93 53.77 -66.44 -38.71 13.58 0.36 86.06 4.71 2.10 7.42 78.22 7.11 0.08 0.24 0.12 36 Y H H 110.66 5.58 12.30 19.46 93.83 53.39 -66.71 -38.57 6.76 0.29 92.95 2.00 1.15 3.96 84.50 8.03 0.08 0.21 0.08 37 D H H 103.06 2.05 13.11 15.84 94.36 52.89 -70.25 -32.31 7.70 0.25 92.05 1.90 1.13 4.94 84.88 6.82 0.10 0.17 0.07 38 V H H 106.74 1.99 12.43 14.96 98.23 46.90 -80.83 -34.19 13.89 0.26 85.85 1.83 2.06 10.50 80.72 4.43 0.20 0.13 0.13 39 F H H 141.77 2.58 11.02 14.65 102.53 32.89 -98.48 -4.65 29.13 0.70 70.17 4.34 7.32 19.52 65.74 2.08 0.29 0.23 0.48 40 G C C 50.34 2.91 11.51 15.82 109.75 -115.80 81.71 63.61 96.87 0.76 2.38 43.87 23.65 29.63 1.28 0.85 0.00 0.34 0.38 41 S C C 69.11 4.24 10.33 16.38 120.32 -45.67 -99.70 146.23 98.66 1.21 0.13 62.17 36.06 0.63 0.04 0.08 0.00 0.48 0.54 42 P C C 87.20 4.79 10.91 17.35 113.23 -103.88 -69.28 147.11 98.31 1.50 0.18 78.97 18.46 0.78 0.06 0.12 0.00 0.57 1.04 43 R C C 135.69 4.71 10.08 16.61 113.92 -118.96 -87.77 125.79 99.04 0.79 0.17 92.29 6.42 0.29 0.07 0.07 0.00 0.25 0.61 44 P C G 91.17 4.69 9.88 16.33 100.30 -123.25 -63.71 -18.02 60.20 0.88 38.92 24.71 7.47 27.56 7.93 31.44 0.00 0.45 0.44 45 N C T 122.32 2.22 10.75 14.04 98.92 51.26 -84.08 4.32 55.13 0.88 43.99 11.83 8.90 33.82 11.48 33.02 0.01 0.47 0.46 46 E H G 122.19 3.23 10.82 15.60 110.14 85.42 -93.85 107.08 47.94 2.94 49.13 21.14 11.34 16.61 12.90 35.20 0.02 1.72 1.06 47 Y C C 128.60 5.62 9.59 16.83 114.30 75.40 -102.15 125.48 60.70 8.84 30.46 35.11 14.24 11.63 15.92 14.50 0.10 4.96 3.53 48 F C C 116.15 5.68 8.64 16.04 115.64 -141.78 -99.35 127.90 73.68 10.14 16.19 52.89 13.46 6.54 11.27 5.41 0.03 5.83 4.56 49 T C C 84.57 3.39 9.97 14.99 116.17 -164.83 -100.47 143.16 79.91 4.83 15.26 59.42 13.63 6.40 11.10 4.58 0.00 2.93 1.92 50 E C C 140.32 2.16 9.62 13.15 102.76 -122.41 -79.99 -4.01 61.37 1.98 36.64 24.64 18.35 19.23 19.13 16.59 0.05 0.94 1.08 51 T C C 103.66 1.86 9.21 12.20 105.75 52.07 -82.35 35.27 63.02 1.53 35.45 26.19 14.48 22.78 16.82 18.06 0.03 0.71 0.93 52 R C C 150.85 3.80 7.73 13.17 106.18 62.40 -90.33 67.45 63.46 2.49 34.05 33.59 12.18 18.25 14.90 18.42 0.02 1.19 1.44 53 Q C T 136.32 2.03 9.14 12.56 106.11 103.40 -85.77 66.91 79.92 1.55 18.54 32.34 14.85 33.59 9.73 7.91 0.01 0.74 0.83 54 G C T 57.01 1.69 11.17 13.54 110.69 -40.39 97.52 34.89 91.82 1.98 6.20 33.11 23.65 35.86 2.16 3.40 0.00 1.21 0.61 55 I C C 109.94 3.79 8.53 14.28 117.24 -34.46 -97.22 132.68 92.04 5.95 2.01 65.65 25.51 1.30 1.37 0.67 0.00 3.53 1.96 56 P C C 89.56 3.78 10.39 15.99 113.31 -111.04 -68.83 144.76 81.20 14.35 4.45 76.58 2.87 1.60 3.31 1.26 0.00 9.74 4.63 57 L C C 118.93 3.26 9.65 14.81 113.05 -130.37 -89.03 131.38 68.63 18.78 12.59 48.72 13.49 5.72 9.33 4.08 0.09 12.21 6.36 58 I C C 109.56 4.47 8.50 14.81 112.50 -143.71 -94.42 118.60 57.63 22.12 20.25 41.76 9.33 5.84 15.29 5.80 0.11 15.85 6.01 59 T C C 94.41 2.98 9.79 14.51 112.07 -167.75 -96.90 129.73 50.59 10.42 38.99 26.85 9.90 14.47 26.28 12.20 0.25 7.65 2.40 60 G C H 52.78 2.43 11.98 15.20 103.02 18.09 59.29 -11.57 52.12 2.95 44.93 17.01 11.84 23.88 28.13 15.97 0.27 1.70 1.22 61 R H H 153.43 3.02 10.99 15.31 97.81 81.53 -74.17 -25.78 45.85 2.01 52.14 17.20 10.39 18.75 34.92 16.59 0.14 1.08 0.92 62 F H H 115.29 5.39 9.99 17.00 103.69 59.43 -91.42 12.81 46.74 2.63 50.63 22.29 12.21 14.09 38.39 10.35 0.12 1.28 1.27 63 D C C 82.44 3.82 12.88 17.94 104.11 85.17 -82.20 52.02 59.24 0.90 39.86 45.64 7.38 5.08 38.80 2.35 0.00 0.38 0.37 64 S H H 57.94 4.51 12.13 18.05 97.14 70.09 -67.00 -37.97 12.06 0.15 87.79 6.98 2.10 3.11 86.43 1.26 0.00 0.06 0.05 65 L H H 97.55 2.85 13.05 16.82 93.57 52.07 -65.90 -39.33 2.63 0.03 97.34 0.95 0.37 1.22 96.53 0.90 0.00 0.01 0.01 66 E H H 109.66 1.84 14.07 15.93 92.35 51.59 -65.37 -40.14 1.48 0.02 98.49 0.59 0.18 0.68 97.72 0.81 0.00 0.01 0.00 67 Q H H 91.74 2.80 13.28 17.04 92.26 51.08 -65.34 -40.31 1.22 0.02 98.76 0.48 0.14 0.56 98.21 0.58 0.00 0.01 0.00 68 L H H 83.68 3.04 12.31 16.70 91.92 50.59 -64.51 -40.69 1.13 0.02 98.85 0.41 0.12 0.54 98.48 0.44 0.00 0.01 0.00 69 D H H 85.91 1.79 12.99 15.07 92.02 51.09 -65.05 -39.07 1.82 0.02 98.16 0.54 0.16 0.97 97.76 0.55 0.00 0.01 0.00 70 E H H 115.65 1.64 12.21 14.18 92.45 51.34 -65.87 -38.29 3.59 0.03 96.38 0.73 0.32 2.30 95.70 0.92 0.00 0.01 0.01 71 F H H 132.15 2.16 10.04 13.40 93.71 51.09 -69.98 -33.08 7.57 0.04 92.39 1.34 0.76 4.98 91.87 1.02 0.01 0.01 0.02 72 S H H 81.51 1.90 9.27 12.33 95.97 57.20 -76.66 -15.91 27.35 0.22 72.42 5.50 3.32 17.91 71.83 1.20 0.02 0.08 0.13 73 R C H 175.12 1.31 8.59 10.88 100.78 67.53 -82.73 1.79 62.12 0.45 37.43 27.93 2.30 29.07 38.95 1.31 0.00 0.16 0.27 74 S C C 83.22 2.49 9.50 13.66 109.48 119.77 -84.50 120.11 99.96 0.02 0.02 99.85 0.06 0.06 0.02 0.00 0.00 0.01 0.00