# 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 128.95 3.62 11.10 16.39 118.54 -167.02 -99.35 134.75 99.79 0.19 0.02 99.75 0.09 0.03 0.01 0.00 0.00 0.09 0.02 1 A C C 76.71 3.92 7.97 13.82 115.33 -130.23 -86.43 140.84 88.53 5.25 6.22 84.96 1.14 3.30 3.86 1.52 0.00 3.23 1.99 2 K C C 152.99 1.98 8.87 12.56 114.83 -141.93 -95.04 135.64 83.41 6.59 10.00 63.99 11.83 7.15 6.82 3.53 0.00 4.13 2.55 3 S C C 72.46 4.13 7.87 13.87 115.94 -122.86 -87.02 143.78 80.65 4.28 15.06 64.38 9.40 6.37 10.82 4.69 0.00 2.44 1.89 4 K C C 156.64 1.94 10.61 13.83 98.76 -138.46 -75.61 -17.74 63.06 1.70 35.24 28.39 15.93 19.86 26.44 7.71 0.04 0.82 0.83 5 N C H 99.73 4.01 10.09 15.75 105.22 63.15 -95.14 39.62 60.85 1.31 37.85 27.16 14.67 20.36 28.89 7.58 0.04 0.58 0.72 6 H C H 116.07 5.23 10.20 16.98 102.62 139.81 -87.89 16.82 50.29 1.67 48.04 31.18 10.36 10.11 39.35 7.35 0.02 0.74 0.87 7 T H H 79.50 4.49 11.31 17.32 107.80 100.24 -86.09 82.63 45.31 1.44 53.25 27.29 8.96 10.78 45.36 6.26 0.03 0.69 0.63 8 N H H 98.39 3.85 12.40 17.51 102.13 53.93 -83.29 8.09 42.95 1.20 55.85 23.86 9.85 11.09 48.09 5.97 0.03 0.56 0.53 9 H H H 106.74 5.80 11.62 18.86 101.09 73.75 -75.63 -24.86 38.21 1.10 60.68 20.02 9.35 10.97 52.84 5.76 0.04 0.51 0.50 10 N H H 92.38 4.57 12.92 18.72 98.92 60.75 -75.40 -18.44 38.89 1.01 60.10 21.64 7.70 11.51 52.47 5.71 0.03 0.48 0.47 11 Q H H 106.79 4.06 13.34 18.51 97.87 65.27 -76.20 -23.73 35.43 0.98 63.59 17.82 7.89 11.67 55.87 5.79 0.04 0.46 0.45 12 S H H 53.48 5.96 12.44 19.84 101.92 59.89 -79.48 -17.61 39.97 1.03 59.00 21.30 8.50 12.01 52.10 5.10 0.03 0.47 0.49 13 S H H 60.44 4.19 13.51 18.87 96.78 61.57 -69.21 -34.39 34.98 0.95 64.07 16.40 9.02 11.70 56.93 5.03 0.06 0.44 0.43 14 K H H 107.77 3.48 13.55 18.10 94.68 57.16 -67.60 -37.84 26.42 1.01 72.57 11.54 6.57 10.91 63.71 6.20 0.11 0.52 0.44 15 N H H 70.53 5.58 11.10 18.48 94.04 54.18 -67.20 -37.97 22.70 1.18 76.12 11.21 4.47 9.05 65.36 8.66 0.10 0.71 0.44 16 H H H 122.12 3.36 11.45 16.04 95.00 50.45 -71.69 -35.73 21.23 1.48 77.29 8.59 4.03 10.16 63.37 12.18 0.18 0.96 0.53 17 R H H 169.69 1.46 12.07 13.84 95.88 50.20 -75.54 -29.87 26.81 1.32 71.87 5.74 4.83 16.86 58.63 12.08 0.50 0.75 0.62 18 N C H 106.80 2.48 11.48 14.87 99.11 31.36 -98.11 2.72 52.41 0.60 46.99 5.11 7.99 39.01 40.75 6.28 0.15 0.26 0.44 19 G C T 53.45 2.53 12.05 15.79 97.17 -107.51 79.45 12.12 96.31 1.08 2.61 30.11 22.53 44.08 0.90 1.42 0.00 0.56 0.40 20 I C C 86.95 6.20 8.19 16.32 115.87 141.30 -91.09 131.52 90.34 7.68 1.97 69.63 16.30 3.56 0.83 1.14 0.00 3.34 5.20 21 K C C 154.70 1.67 12.43 15.09 114.96 -153.91 -95.16 137.06 93.76 4.89 1.34 72.52 18.23 2.82 0.56 0.76 0.00 2.33 2.77 22 G C C 41.46 5.23 11.08 17.85 124.33 -103.69 -87.67 168.37 98.64 1.11 0.25 71.19 26.68 0.92 0.09 0.14 0.00 0.54 0.44 23 P C C 85.90 5.67 10.32 17.67 112.89 -74.57 -69.29 147.26 97.75 0.99 1.25 84.79 10.41 2.56 0.52 0.61 0.00 0.41 0.70 24 V C C 98.35 3.37 9.89 15.06 115.75 -127.61 -90.33 137.15 95.38 0.79 3.84 83.95 8.92 2.45 2.61 1.10 0.00 0.28 0.69 25 P C C 98.25 2.90 9.55 14.10 109.21 -110.30 -66.85 141.57 59.56 0.85 39.59 35.72 10.49 13.92 23.89 15.04 0.00 0.38 0.56 26 L H H 126.66 1.87 9.69 12.72 99.55 -122.21 -74.85 -16.54 45.98 0.87 53.15 18.41 9.78 18.16 34.67 18.05 0.03 0.40 0.50 27 H H H 125.15 3.14 9.65 14.21 102.47 57.11 -86.02 16.02 41.24 1.28 57.48 19.90 8.08 13.74 39.07 17.92 0.04 0.64 0.62 28 L H H 94.01 5.45 9.41 16.41 99.91 99.65 -74.94 -21.05 38.96 1.11 59.93 19.60 8.12 12.61 46.50 12.06 0.04 0.54 0.53 29 H H H 123.13 3.86 10.77 16.09 104.16 58.97 -83.68 14.38 42.27 1.18 56.55 17.51 9.81 16.99 44.24 10.17 0.10 0.57 0.62 30 N C H 109.42 2.84 12.29 16.29 101.13 68.35 -83.73 -9.93 50.01 1.23 48.76 20.61 13.07 18.34 37.76 8.88 0.09 0.53 0.72 31 S C C 60.75 5.94 10.34 17.82 107.54 80.50 -85.77 94.60 65.25 1.94 32.81 37.10 13.20 15.80 23.84 8.00 0.02 0.81 1.22 32 K C C 128.37 5.04 10.68 17.19 100.10 103.71 -88.95 1.63 71.93 2.67 25.40 43.49 12.76 15.78 16.20 8.80 0.01 1.15 1.83 33 R C T 167.20 2.44 11.05 15.17 106.47 110.86 -73.56 106.18 75.62 1.80 22.58 20.87 15.38 39.94 12.27 9.46 0.04 0.83 1.22 34 G C T 56.26 2.21 12.27 15.34 101.73 14.04 78.53 0.38 82.52 1.23 16.25 20.44 19.81 43.13 6.71 8.52 0.01 0.58 0.80 35 S C C 64.67 5.36 9.71 16.80 113.32 108.13 -89.65 133.89 82.70 4.17 13.13 44.93 25.68 12.35 6.39 6.01 0.01 1.55 3.08 36 W C C 148.27 3.86 11.71 17.00 110.37 -106.99 -87.74 120.14 91.38 1.87 6.75 77.84 10.58 2.60 5.69 1.28 0.00 0.66 1.35 37 L H H 103.65 3.69 12.25 17.52 93.83 -133.86 -60.47 -39.35 6.68 0.03 93.29 2.52 1.17 2.87 92.39 1.03 0.00 0.01 0.01 38 P H H 89.89 2.00 14.52 16.65 92.49 52.07 -64.70 -39.11 3.61 0.02 96.38 0.79 0.38 2.28 95.38 1.15 0.00 0.01 0.00 39 A H H 51.48 4.01 13.87 19.26 92.41 50.51 -65.40 -40.75 1.20 0.01 98.79 0.35 0.13 0.63 97.89 0.99 0.00 0.00 0.00 40 L H H 67.31 5.40 13.91 21.01 92.25 50.76 -64.82 -41.49 0.56 0.00 99.44 0.17 0.06 0.26 99.18 0.33 0.00 0.00 0.00 41 V H H 74.01 3.18 16.32 20.08 91.67 49.64 -63.97 -42.22 0.52 0.00 99.48 0.12 0.04 0.27 99.42 0.15 0.00 0.00 0.00 42 N H H 82.73 2.69 16.95 19.75 91.88 49.67 -64.53 -40.56 0.88 0.00 99.12 0.18 0.06 0.52 99.08 0.16 0.00 0.00 0.00 43 A H H 47.88 4.19 15.82 21.25 91.75 51.01 -64.08 -40.93 0.84 0.00 99.16 0.18 0.06 0.47 99.12 0.17 0.00 0.00 0.00 44 R H H 120.26 3.18 16.90 20.44 91.81 50.92 -64.52 -41.36 0.71 0.00 99.29 0.15 0.05 0.40 99.25 0.15 0.00 0.00 0.00 45 R H H 122.22 2.42 16.68 19.04 91.86 50.29 -64.29 -41.74 0.70 0.00 99.30 0.16 0.05 0.39 99.22 0.18 0.00 0.00 0.00 46 V H H 74.85 2.75 15.69 18.90 91.68 49.92 -63.91 -42.05 0.70 0.00 99.30 0.18 0.05 0.36 99.24 0.17 0.00 0.00 0.00 47 R H H 130.07 2.34 16.24 18.66 91.67 50.03 -64.30 -41.50 0.94 0.00 99.05 0.18 0.07 0.56 98.96 0.23 0.00 0.00 0.00 48 K H H 114.71 2.18 16.18 18.18 91.80 49.77 -64.60 -41.42 1.87 0.00 98.12 0.26 0.13 1.26 97.98 0.37 0.00 0.00 0.00 49 H H H 107.54 2.12 15.67 17.70 92.01 49.33 -64.86 -40.49 5.01 0.01 94.98 0.74 0.44 3.42 94.87 0.52 0.00 0.00 0.01 50 N H H 87.08 2.46 15.34 18.05 92.31 50.20 -65.97 -39.44 10.29 0.05 89.67 2.87 1.07 5.60 89.82 0.60 0.00 0.01 0.02 51 Q H H 103.65 2.46 15.57 18.15 92.45 51.08 -65.28 -41.16 3.90 0.02 96.08 1.18 0.50 1.89 96.00 0.41 0.00 0.01 0.01 52 K H H 121.56 1.78 16.35 17.55 92.15 49.85 -65.05 -41.58 1.80 0.01 98.19 0.49 0.22 0.92 98.03 0.34 0.00 0.00 0.00 53 A H H 53.33 2.24 15.76 18.10 91.71 50.20 -63.92 -41.46 1.41 0.01 98.58 0.36 0.15 0.74 98.42 0.32 0.00 0.00 0.00 54 A H H 50.05 2.86 14.99 18.67 91.75 50.48 -63.88 -41.09 1.16 0.01 98.84 0.29 0.11 0.60 98.74 0.25 0.00 0.00 0.00 55 L H H 84.31 2.60 15.15 18.21 91.79 50.23 -64.47 -41.29 0.87 0.00 99.13 0.21 0.08 0.45 99.09 0.17 0.00 0.00 0.00 56 K H H 117.91 1.60 16.11 16.98 91.71 50.23 -64.41 -41.20 0.77 0.00 99.23 0.18 0.07 0.40 99.22 0.13 0.00 0.00 0.00 57 K H H 113.76 1.78 15.52 16.91 91.82 50.00 -64.42 -40.97 0.70 0.00 99.30 0.14 0.05 0.38 99.31 0.11 0.00 0.00 0.00 58 R H H 128.91 2.36 14.84 17.52 91.76 50.10 -64.67 -40.96 0.59 0.00 99.41 0.11 0.04 0.32 99.43 0.09 0.00 0.00 0.00 59 R H H 138.13 1.80 15.19 16.85 91.63 50.49 -64.00 -40.91 0.42 0.00 99.58 0.08 0.03 0.23 99.58 0.07 0.00 0.00 0.00 60 E H H 112.97 1.46 15.53 16.17 91.70 49.91 -64.78 -40.69 0.36 0.00 99.64 0.06 0.02 0.20 99.64 0.07 0.00 0.00 0.00 61 R H H 134.88 1.80 15.25 16.78 91.89 49.92 -64.70 -41.26 0.43 0.00 99.57 0.07 0.03 0.24 99.57 0.09 0.00 0.00 0.00 62 I H H 90.43 2.36 14.51 17.26 91.80 49.72 -64.52 -41.66 0.44 0.00 99.56 0.08 0.03 0.24 99.53 0.10 0.00 0.00 0.00 63 A H H 59.65 1.68 14.51 15.98 91.54 50.80 -63.54 -40.95 0.67 0.00 99.33 0.12 0.05 0.38 99.26 0.19 0.00 0.00 0.00 64 A H H 60.23 1.69 13.69 15.35 91.84 50.63 -64.35 -41.15 1.76 0.00 98.24 0.24 0.12 1.17 98.03 0.44 0.00 0.00 0.00 65 F H H 120.78 1.89 12.07 14.42 92.43 50.22 -65.82 -39.33 4.05 0.01 95.94 0.65 0.34 2.67 95.41 0.92 0.00 0.00 0.00 66 A H H 73.79 1.48 10.89 12.84 92.65 52.56 -66.37 -35.31 11.78 0.05 88.17 1.81 1.08 8.24 87.35 1.46 0.01 0.02 0.02 67 A H H 87.06 0.95 9.59 10.76 94.03 55.10 -71.85 -23.83 36.52 0.29 63.19 7.12 3.70 25.34 61.51 2.03 0.02 0.11 0.17 68 K C C 155.11 1.23 8.40 10.48 98.72 61.16 -81.40 -6.88 64.38 0.59 35.02 35.78 2.11 24.49 35.37 1.66 0.00 0.22 0.37 69 N C C 122.48 1.92 10.18 13.41 104.30 141.79 -78.02 73.41 99.94 0.02 0.03 99.75 0.10 0.11 0.02 0.00 0.00 0.01 0.00