# 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 73.37 4.56 12.31 18.41 117.04 -145.98 -92.21 143.80 99.90 0.08 0.02 99.84 0.08 0.03 0.01 0.00 0.00 0.03 0.01 1 I C C 121.45 4.12 9.49 15.23 107.32 -147.45 -89.28 57.48 78.19 3.13 18.67 68.59 1.87 8.56 13.67 3.99 0.00 1.90 1.42 2 G C C 49.70 3.58 9.88 15.07 113.06 -157.76 -86.86 146.99 74.23 4.11 21.67 48.01 12.36 14.15 14.85 6.61 0.01 2.46 1.56 3 R C C 164.11 2.70 10.22 14.54 111.90 -116.37 -90.79 125.04 67.39 6.10 26.51 47.75 10.60 8.87 18.87 7.92 0.02 3.86 2.12 4 A C C 70.62 5.24 9.43 16.24 109.76 -127.66 -82.56 124.22 65.59 5.00 29.41 46.92 10.17 8.30 21.87 7.88 0.01 3.13 1.71 5 S C C 74.51 4.03 10.54 16.12 110.39 -149.54 -88.48 118.42 67.92 4.24 27.84 45.92 12.48 9.49 20.41 7.66 0.02 2.55 1.48 6 S C C 78.64 3.30 10.16 14.94 108.00 -120.94 -87.28 90.80 70.34 4.42 25.24 46.29 13.24 10.66 18.25 7.30 0.02 2.61 1.63 7 K C C 136.23 3.58 9.64 14.86 103.84 70.15 -86.19 8.29 74.00 3.94 22.05 45.04 17.17 11.85 15.22 6.89 0.02 2.08 1.73 8 S C C 74.90 3.78 9.27 14.66 104.49 65.45 -86.01 31.10 79.52 2.55 17.93 47.43 13.54 18.47 9.83 8.13 0.00 1.38 1.23 9 N C T 124.75 1.95 10.22 13.40 102.77 54.62 -83.27 19.22 82.33 1.43 16.24 27.11 18.65 37.41 6.76 8.59 0.01 0.69 0.77 10 G C T 51.72 3.49 9.83 14.87 107.01 66.61 -72.12 31.71 84.69 2.03 13.28 30.27 22.25 33.06 4.37 8.11 0.01 1.05 0.88 11 R C C 161.50 2.70 10.16 14.50 110.05 110.97 -92.34 105.79 79.20 9.60 11.20 50.37 18.86 10.56 5.10 5.97 0.02 6.86 2.26 12 F C C 129.07 5.71 8.99 16.35 116.81 -149.45 -98.05 130.18 70.76 21.98 7.26 57.80 8.26 3.75 4.69 2.77 0.01 19.88 2.83 13 Q C C 124.95 3.14 12.13 17.11 118.87 -162.92 -109.65 134.75 59.13 35.52 5.35 51.17 5.01 1.77 4.20 1.54 0.01 33.51 2.80 14 V C C 88.57 7.64 9.27 18.36 118.73 -155.30 -106.69 131.95 57.80 36.52 5.68 52.03 2.94 1.29 4.73 1.22 0.00 35.87 1.92 15 K C C 142.15 2.60 13.87 17.86 118.85 -161.82 -109.61 136.47 57.62 34.65 7.73 50.56 3.56 1.76 6.85 1.53 0.01 33.18 2.55 16 A C C 55.61 9.54 8.91 19.37 116.09 -139.11 -87.07 141.93 69.58 20.02 10.40 60.19 5.35 2.44 9.29 1.92 0.01 19.10 1.70 17 S C C 57.40 3.94 12.61 17.92 116.72 -121.18 -81.86 154.56 83.14 6.39 10.47 75.20 4.58 2.52 10.08 1.37 0.00 5.44 0.81 18 L H H 119.99 2.48 11.75 15.44 94.06 -114.17 -62.91 -35.51 31.11 1.22 67.67 20.27 6.48 6.00 62.74 3.48 0.01 0.75 0.27 19 K H H 136.37 2.02 13.52 16.00 93.30 55.70 -66.73 -37.49 23.09 0.88 76.02 13.43 4.35 6.66 70.54 4.22 0.02 0.55 0.23 20 E H H 89.18 6.53 12.39 20.24 93.87 52.12 -67.58 -37.57 16.76 0.81 82.42 11.00 2.70 4.41 76.43 4.70 0.01 0.54 0.20 21 K H H 116.88 3.81 14.91 19.72 92.85 54.76 -65.21 -38.99 14.91 0.82 84.27 10.15 2.22 3.60 80.27 3.03 0.01 0.53 0.19 22 V H H 81.89 3.07 16.36 19.68 92.88 51.04 -65.96 -40.50 14.27 1.07 84.65 9.40 2.02 3.63 81.80 2.20 0.01 0.71 0.23 23 V H H 64.82 6.35 15.52 23.12 92.51 50.32 -66.08 -40.82 13.92 0.94 85.15 9.16 1.97 3.38 83.15 1.54 0.01 0.59 0.20 24 T H H 65.07 5.60 16.49 23.16 92.60 51.51 -65.55 -40.50 11.88 0.53 87.59 7.33 1.54 3.20 86.40 1.10 0.01 0.30 0.13 25 G H H 37.20 3.28 17.88 21.42 92.53 51.21 -64.72 -41.51 8.70 0.24 91.06 4.85 1.21 2.79 90.04 0.91 0.00 0.13 0.07 26 L H H 85.60 4.90 17.66 23.25 92.75 49.55 -66.31 -40.22 5.17 0.17 94.66 2.74 0.67 1.86 93.88 0.71 0.00 0.10 0.04 27 T H H 60.38 7.18 16.86 25.05 92.60 50.79 -65.68 -40.95 3.39 0.11 96.50 1.67 0.42 1.31 96.03 0.50 0.00 0.06 0.02 28 A H H 57.13 3.33 18.73 22.20 92.43 50.89 -64.76 -41.34 1.95 0.04 98.01 0.76 0.22 0.85 97.77 0.36 0.00 0.02 0.01 29 A H H 57.11 3.28 18.57 21.98 92.35 50.42 -64.77 -41.29 1.42 0.02 98.56 0.47 0.15 0.69 98.35 0.31 0.00 0.01 0.00 30 A H H 41.15 7.78 15.59 24.88 92.42 50.76 -64.69 -41.03 1.32 0.02 98.66 0.38 0.13 0.70 98.40 0.36 0.00 0.01 0.00 31 L H H 86.65 4.34 17.48 22.57 92.14 49.97 -64.87 -40.83 1.53 0.02 98.45 0.38 0.15 0.89 97.99 0.58 0.00 0.01 0.00 32 T H H 77.59 2.40 17.79 19.83 92.26 50.04 -65.47 -39.51 2.61 0.03 97.37 0.46 0.22 1.73 96.40 1.16 0.01 0.02 0.01 33 A H H 49.80 5.72 14.39 21.70 92.40 52.54 -66.16 -36.59 5.63 0.04 94.33 0.74 0.48 4.20 91.00 3.52 0.02 0.02 0.01 34 Q H H 94.32 7.06 13.43 21.80 92.76 55.98 -68.73 -28.32 16.74 0.12 83.15 1.53 1.21 13.91 77.43 5.74 0.06 0.06 0.06 35 M H H 127.85 2.54 14.21 17.53 95.23 58.42 -76.39 -18.78 38.04 0.52 61.44 4.53 4.05 29.49 55.89 5.35 0.14 0.25 0.29 36 V C H 104.95 2.65 13.47 17.01 100.49 59.33 -87.95 -10.07 54.53 2.82 42.66 14.36 12.27 29.80 36.15 4.45 0.27 1.25 1.44 37 I C C 86.06 7.43 10.36 19.38 113.67 93.74 -96.05 120.59 80.32 2.15 17.53 41.37 34.42 4.79 15.01 2.53 0.02 0.78 1.08 38 P C C 77.30 5.37 12.51 19.56 109.30 -123.74 -68.39 143.00 58.62 1.31 40.07 39.22 6.16 13.04 30.46 9.84 0.00 0.78 0.50 39 D H H 96.62 4.05 13.47 18.79 104.96 -109.68 -73.45 101.30 47.54 2.33 50.13 25.71 7.26 15.36 36.07 13.33 0.03 1.51 0.74 40 V H H 82.52 5.79 12.33 19.46 98.00 143.74 -70.35 -34.71 31.39 2.57 66.04 17.22 5.78 9.33 47.14 18.14 0.05 1.64 0.71 41 A H H 56.77 5.70 11.94 19.21 95.09 57.32 -67.95 -33.78 28.91 2.74 68.35 14.44 5.18 9.88 48.05 19.80 0.06 1.92 0.67 42 E H H 121.64 3.24 13.36 17.74 95.28 57.29 -71.92 -25.30 34.98 3.01 62.02 15.72 6.47 13.55 43.27 17.93 0.11 2.03 0.91 43 A C H 65.55 4.71 11.39 17.62 98.37 64.38 -77.66 -14.04 48.79 2.46 48.75 26.54 8.85 14.74 34.84 12.58 0.06 1.38 1.02 44 A C C 64.12 5.55 10.25 17.46 103.98 77.17 -81.65 13.86 75.54 1.41 23.05 39.74 12.84 23.37 16.92 5.74 0.01 0.66 0.73 45 T C C 108.87 1.85 12.48 15.17 103.12 53.20 -86.86 28.96 90.30 1.17 8.53 54.62 13.59 22.34 5.01 3.28 0.00 0.58 0.59 46 V C C 85.21 5.75 9.36 16.74 112.93 112.98 -93.69 133.93 95.73 1.50 2.77 69.89 22.93 2.76 1.99 0.79 0.00 0.52 1.12 47 S C C 60.81 3.22 12.68 16.94 113.34 -103.45 -81.07 144.55 97.29 0.37 2.34 89.92 6.26 0.96 2.22 0.29 0.00 0.12 0.23 48 P H H 88.31 4.18 11.84 17.54 94.39 -118.06 -60.42 -34.58 21.76 0.17 78.06 8.24 3.10 10.72 74.26 3.50 0.01 0.08 0.09 49 S H H 69.63 2.77 13.42 16.89 93.37 54.79 -65.93 -38.51 16.70 0.15 83.15 4.90 2.06 9.93 78.98 3.96 0.02 0.07 0.07 50 L H H 84.54 4.14 13.66 18.91 92.90 50.01 -66.94 -39.28 6.66 0.12 93.22 3.01 1.01 2.94 89.23 3.68 0.01 0.07 0.05 51 K H H 102.79 4.54 14.90 20.60 92.32 52.31 -65.64 -40.59 1.68 0.01 98.30 0.74 0.21 0.67 97.76 0.60 0.00 0.01 0.00 52 N H H 76.98 4.98 15.75 21.65 92.35 50.93 -65.27 -40.33 1.03 0.01 98.96 0.35 0.11 0.50 98.66 0.37 0.00 0.00 0.00 53 F H H 102.96 5.03 16.49 22.21 92.09 50.49 -65.25 -41.28 0.66 0.00 99.34 0.19 0.06 0.36 99.10 0.28 0.00 0.00 0.00 54 L H H 84.02 4.00 17.56 22.13 91.96 49.81 -64.77 -41.34 0.49 0.00 99.51 0.11 0.04 0.29 99.37 0.19 0.00 0.00 0.00 55 L H H 80.32 4.85 17.98 23.44 92.20 49.87 -65.45 -40.55 0.62 0.00 99.37 0.10 0.04 0.41 99.22 0.22 0.00 0.00 0.00 56 S H H 48.45 6.79 16.86 24.50 92.31 51.54 -65.54 -40.86 1.63 0.00 98.37 0.17 0.09 1.30 98.09 0.34 0.00 0.00 0.00 57 I H H 88.64 5.01 18.67 23.99 92.41 48.90 -65.45 -41.81 2.62 0.01 97.37 0.19 0.16 2.24 97.07 0.32 0.01 0.00 0.00 58 V H H 78.52 3.56 20.02 23.35 92.48 48.86 -65.31 -42.50 1.78 0.01 98.20 0.28 0.17 1.20 98.10 0.23 0.00 0.00 0.01 59 S H H 48.85 5.17 19.19 24.92 92.05 49.77 -64.57 -41.94 1.04 0.00 98.95 0.20 0.09 0.66 98.82 0.22 0.00 0.00 0.00 60 G H H 26.72 7.68 17.37 26.17 91.97 50.94 -64.28 -41.54 0.82 0.00 99.18 0.13 0.05 0.55 99.11 0.16 0.00 0.00 0.00 61 G H H 33.60 4.48 18.70 23.76 91.94 50.74 -64.72 -41.20 0.50 0.00 99.50 0.08 0.03 0.31 99.48 0.10 0.00 0.00 0.00 62 V H H 78.44 3.42 19.69 22.74 92.25 49.57 -65.00 -42.21 0.31 0.00 99.69 0.05 0.02 0.19 99.69 0.04 0.00 0.00 0.00 63 V H H 66.88 6.08 18.24 24.83 92.27 48.81 -64.70 -42.44 0.19 0.00 99.81 0.04 0.01 0.10 99.82 0.02 0.00 0.00 0.00 64 V H H 71.53 5.99 17.95 24.60 92.12 49.58 -64.23 -42.21 0.15 0.00 99.84 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 65 T H H 76.11 2.78 19.11 21.54 91.92 49.19 -64.77 -41.65 0.18 0.00 99.81 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 66 A H H 55.92 3.65 18.23 21.98 92.16 49.02 -65.00 -42.03 0.27 0.00 99.73 0.05 0.01 0.16 99.75 0.04 0.00 0.00 0.00 67 I H H 76.47 6.55 17.25 24.37 92.14 48.82 -64.91 -42.10 0.30 0.00 99.70 0.04 0.02 0.19 99.72 0.04 0.00 0.00 0.00 68 L H H 84.15 4.39 17.83 22.74 91.96 49.76 -64.21 -41.57 0.34 0.00 99.65 0.04 0.02 0.23 99.66 0.05 0.00 0.00 0.00 69 G H H 38.01 2.56 18.48 20.56 91.80 50.26 -64.35 -41.13 0.64 0.00 99.35 0.06 0.03 0.48 99.33 0.09 0.00 0.00 0.00 70 A H H 53.04 4.26 17.29 22.10 92.34 50.47 -65.16 -41.63 1.25 0.01 98.74 0.11 0.06 1.00 98.68 0.13 0.00 0.00 0.00 71 V H H 68.20 6.12 16.32 23.17 92.29 48.90 -64.95 -42.17 1.31 0.02 98.67 0.17 0.10 0.96 98.60 0.16 0.00 0.01 0.00 72 I H H 91.48 2.96 17.27 20.38 91.76 49.58 -64.15 -41.90 1.01 0.01 98.98 0.17 0.09 0.67 98.60 0.47 0.00 0.01 0.00 73 G H H 36.24 2.65 16.59 19.29 91.94 50.62 -64.18 -41.72 1.59 0.01 98.40 0.21 0.11 1.14 97.54 0.99 0.00 0.01 0.00 74 V H H 73.57 4.20 15.00 20.16 92.52 49.24 -66.09 -40.51 1.97 0.02 98.01 0.24 0.16 1.44 96.64 1.51 0.00 0.01 0.00 75 S H H 55.41 5.80 12.83 20.04 92.39 52.95 -67.26 -32.83 6.90 0.02 93.07 0.55 0.47 5.63 90.93 2.39 0.01 0.01 0.01 76 N H H 115.81 1.91 14.18 16.23 94.93 51.99 -78.50 -18.26 32.33 0.07 67.61 1.61 1.87 28.28 65.45 2.69 0.03 0.02 0.05 77 F H H 146.35 2.18 12.50 15.22 100.09 48.51 -94.86 -3.81 48.18 0.49 51.33 7.28 9.79 31.93 47.57 2.79 0.11 0.18 0.35 78 D C C 78.43 5.99 9.40 17.21 114.73 103.16 -86.49 132.57 93.68 2.01 4.31 54.54 36.15 3.11 3.32 0.99 0.00 0.85 1.04 79 P C C 99.13 2.55 11.53 15.39 110.26 -123.77 -71.95 139.39 83.98 4.33 11.69 61.73 11.97 10.13 7.07 4.69 0.00 3.01 1.39 80 V C C 98.19 5.26 8.05 15.24 114.95 -127.63 -91.42 133.08 71.04 14.81 14.15 50.15 11.69 8.95 8.60 5.84 0.07 10.48 4.22 81 K C C 152.18 1.79 10.18 13.43 116.08 -152.66 -99.49 131.59 70.69 17.00 12.31 55.05 8.31 6.64 7.16 5.44 0.03 12.86 4.50 82 R C C 167.00 3.02 7.46 12.59 110.89 -144.90 -83.56 129.06 74.94 11.23 13.83 45.05 14.08 16.73 5.32 8.00 0.03 8.41 2.38 83 G C C 57.93 1.91 8.92 12.09 107.66 -131.61 -85.34 56.23 85.05 5.86 9.08 36.45 23.67 25.99 2.12 6.40 0.01 4.13 1.23 84 S C C 90.08 1.67 7.65 10.81 109.34 -91.07 -86.58 123.16 90.27 3.42 6.31 71.26 5.47 13.92 1.43 4.38 0.00 2.55 0.99 85 Q C C 140.96 1.95 9.38 12.91 109.68 -126.61 -86.63 117.70 99.82 0.15 0.03 99.64 0.17 0.08 0.01 0.00 0.00 0.08 0.02