# 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 A C C 72.34 4.59 11.72 17.80 115.06 -142.23 -86.00 138.97 99.95 0.04 0.00 99.88 0.08 0.01 0.00 0.00 0.00 0.02 0.00 1 T C C 100.75 3.29 9.48 14.73 112.22 -117.16 -82.77 132.71 97.92 1.40 0.67 96.90 0.52 0.87 0.25 0.18 0.00 0.59 0.69 2 T C C 97.21 3.31 9.77 14.98 115.49 -150.93 -102.62 124.85 96.58 2.24 1.18 85.47 9.08 1.93 0.45 0.66 0.00 1.11 1.29 3 P C C 93.26 4.80 9.42 16.09 112.50 -145.17 -81.93 137.27 94.22 2.07 3.71 75.59 13.49 5.09 0.94 2.78 0.00 1.21 0.90 4 L C C 105.09 5.23 10.84 17.73 114.24 -127.14 -89.19 135.55 90.80 2.71 6.49 64.50 17.85 8.33 1.53 5.08 0.00 1.58 1.13 5 E C C 142.17 2.39 14.62 18.02 114.13 -130.25 -89.70 133.17 91.58 2.96 5.47 70.47 13.84 7.11 1.41 4.12 0.00 1.71 1.35 6 W C C 91.76 15.26 8.15 22.43 115.65 -129.38 -88.39 133.16 94.20 2.74 3.06 79.70 11.78 2.18 1.55 1.39 0.00 0.94 2.47 7 S C C 53.00 3.76 16.19 20.57 124.53 -157.37 -96.73 164.28 98.31 0.40 1.29 93.30 4.45 0.47 1.25 0.13 0.00 0.11 0.28 8 P H H 98.32 3.80 13.11 18.50 91.91 -101.20 -60.06 -34.50 18.54 0.04 81.43 1.44 1.79 14.69 81.06 0.97 0.02 0.01 0.02 9 T H H 93.63 1.73 17.25 18.33 92.21 53.30 -65.98 -38.96 13.07 0.04 86.89 1.06 1.12 10.56 86.44 0.77 0.02 0.01 0.03 10 V H H 39.00 10.98 15.05 27.30 92.61 49.17 -66.29 -41.19 1.90 0.01 98.09 0.42 0.22 1.07 98.04 0.24 0.00 0.00 0.00 11 G H H 13.82 14.25 14.17 29.33 91.43 53.46 -62.57 -42.12 0.35 0.00 99.65 0.10 0.02 0.14 99.67 0.05 0.00 0.00 0.00 12 I H H 98.18 2.76 20.91 22.97 91.51 50.05 -64.07 -41.34 0.08 0.00 99.92 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 13 I H H 82.56 4.41 20.91 25.38 91.75 49.19 -64.46 -42.61 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 14 M H H 30.16 17.80 16.73 34.48 92.13 49.62 -64.81 -42.22 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 15 V H H 57.63 10.75 19.78 30.87 91.64 50.16 -63.58 -42.29 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 16 I H H 101.28 1.88 24.18 23.93 91.44 48.76 -64.16 -41.96 0.10 0.00 99.90 0.00 0.00 0.08 99.91 0.01 0.00 0.00 0.00 17 A H H 30.92 9.31 19.62 30.03 91.67 49.69 -64.40 -41.97 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 18 N H H 22.80 18.70 16.64 35.11 91.79 50.92 -64.51 -41.56 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.01 0.00 0.00 0.00 19 V H H 77.40 5.06 22.15 27.29 91.48 50.35 -63.89 -42.06 0.16 0.00 99.83 0.01 0.01 0.11 99.85 0.01 0.00 0.00 0.00 20 I H H 97.39 2.22 23.64 24.22 91.49 48.90 -64.24 -42.63 0.13 0.00 99.87 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 21 A H H 20.27 13.38 17.17 31.69 91.76 50.27 -64.11 -42.39 0.16 0.00 99.84 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 22 I H H 54.13 13.34 18.01 31.41 91.80 49.64 -64.24 -42.07 0.21 0.00 99.79 0.01 0.01 0.16 99.72 0.09 0.00 0.00 0.00 23 T H H 76.86 2.31 21.93 22.99 91.51 49.97 -63.70 -42.16 0.52 0.00 99.48 0.02 0.02 0.44 99.35 0.17 0.00 0.00 0.00 24 F H H 102.77 3.79 20.60 24.27 91.99 48.08 -65.21 -41.44 1.32 0.00 98.68 0.06 0.06 1.11 98.42 0.34 0.00 0.00 0.00 25 G H H 9.95 15.73 13.95 30.55 91.93 52.46 -63.83 -41.49 2.86 0.01 97.13 0.23 0.18 2.24 95.65 1.68 0.01 0.00 0.00 26 R H H 110.44 8.34 17.65 26.76 91.69 52.42 -64.11 -38.06 5.66 0.02 94.32 0.40 0.36 4.79 90.64 3.78 0.02 0.01 0.01 27 Q H H 114.44 1.98 19.36 20.41 92.44 52.08 -67.72 -35.06 10.62 0.05 89.33 0.79 0.83 8.85 85.20 4.23 0.06 0.03 0.03 28 T H H 58.77 7.81 15.11 24.06 94.86 50.56 -75.43 -28.89 24.82 0.29 74.88 2.69 2.90 19.59 70.39 3.95 0.16 0.12 0.19 29 I C H 54.92 14.77 10.41 24.71 105.87 70.61 -84.28 61.42 54.56 3.11 42.33 19.79 11.26 25.79 35.62 4.30 0.26 1.22 1.76 30 K C C 148.49 2.35 15.68 18.72 96.39 115.02 -73.54 -28.35 76.98 2.18 20.84 30.79 20.36 26.47 16.21 4.03 0.04 0.88 1.22 31 Y C C 132.71 3.45 13.14 17.93 109.28 37.59 -123.20 78.80 98.29 0.89 0.81 60.04 36.79 1.45 0.43 0.30 0.00 0.26 0.73 32 P C T 75.88 9.80 9.51 20.30 96.88 173.28 -64.89 -22.97 95.99 0.47 3.54 18.94 7.45 69.53 0.54 3.03 0.00 0.27 0.24 33 S C T 96.63 1.08 13.57 14.24 97.18 54.52 -86.55 1.97 96.43 0.47 3.11 13.81 10.01 72.23 0.39 3.07 0.00 0.26 0.23 34 A C C 56.66 6.26 9.91 18.05 117.25 108.50 -85.77 143.28 94.20 1.75 4.05 52.82 36.06 5.06 0.84 3.09 0.00 0.60 1.51 35 E C C 139.30 2.77 12.73 17.16 116.61 -113.72 -84.46 140.40 97.40 1.57 1.02 70.10 24.95 2.26 0.30 0.70 0.00 0.64 1.05 36 P C C 72.29 9.44 10.21 20.57 113.87 -103.28 -70.00 148.73 96.86 1.30 1.83 81.50 10.40 4.83 0.49 1.35 0.00 0.63 0.78 37 A C C 81.67 2.91 14.25 18.32 112.29 -118.89 -81.01 140.55 95.14 3.29 1.58 76.21 15.12 3.34 0.51 1.07 0.00 1.30 2.46 38 L C C 88.37 8.95 9.42 19.51 115.85 -122.55 -89.23 136.08 96.06 3.15 0.79 76.43 18.53 1.10 0.33 0.43 0.00 1.31 1.88 39 P C C 82.13 5.01 12.07 18.71 110.52 -107.05 -68.31 147.10 91.91 3.27 4.83 70.41 13.44 7.63 1.43 3.51 0.00 1.62 1.96 40 S C C 74.45 3.89 11.07 16.63 111.51 -118.73 -93.51 125.94 89.28 3.39 7.33 64.83 14.90 8.75 2.36 5.20 0.00 1.46 2.51 41 A C C 66.75 6.08 8.94 16.53 104.05 -138.75 -79.53 18.73 67.83 1.90 30.27 31.81 15.62 21.22 6.35 22.98 0.01 0.85 1.17 42 K C G 156.70 1.81 11.16 14.02 101.19 80.64 -79.32 -8.31 62.27 1.62 36.11 22.42 14.45 26.50 7.13 27.72 0.01 0.76 1.00 43 F C G 146.58 2.92 9.96 14.29 102.96 60.93 -83.81 -4.44 59.62 2.70 37.67 20.59 15.29 25.19 7.02 29.00 0.03 1.34 1.53 44 F C T 134.65 4.49 9.92 15.82 103.04 31.89 -93.61 31.48 69.74 4.37 25.89 22.76 18.15 29.98 6.24 18.05 0.06 1.96 2.78 45 G C T 51.79 3.58 13.90 18.65 105.15 -105.79 59.76 26.70 86.22 2.33 11.44 21.27 22.88 42.55 2.57 8.25 0.01 1.10 1.37 46 G C C 41.33 6.53 14.99 22.45 112.05 -68.80 92.18 -167.79 91.27 3.50 5.23 34.16 32.53 25.07 1.27 3.64 0.00 1.69 1.65 47 F C C 71.71 14.45 12.50 26.91 117.93 124.77 -97.45 135.71 83.63 14.31 2.06 67.45 12.59 2.08 1.26 0.81 0.00 4.83 10.98 48 G C C 23.84 8.54 18.85 28.19 125.35 -144.63 -91.36 169.29 89.19 6.33 4.49 78.42 8.42 1.21 4.71 0.46 0.00 1.64 5.13 49 A H H 53.77 10.74 18.24 29.30 92.75 -97.15 -61.05 -38.28 2.10 0.01 97.90 0.52 0.36 1.05 97.77 0.29 0.00 0.00 0.00 50 P H H 62.31 8.18 20.83 29.62 91.90 53.18 -64.09 -39.67 0.78 0.00 99.21 0.14 0.07 0.49 99.01 0.30 0.00 0.00 0.00 51 A H H 26.46 13.39 19.51 33.32 91.95 50.74 -65.07 -40.59 0.19 0.00 99.81 0.03 0.01 0.11 99.62 0.23 0.00 0.00 0.00 52 L H H 45.34 15.24 20.90 35.57 91.54 50.11 -63.89 -42.39 0.11 0.00 99.89 0.01 0.01 0.07 99.80 0.11 0.00 0.00 0.00 53 L H H 67.06 10.37 24.02 34.40 91.70 49.08 -64.32 -42.00 0.18 0.00 99.82 0.02 0.01 0.12 99.78 0.07 0.00 0.00 0.00 54 A H H 35.33 10.32 23.22 34.06 91.57 50.47 -64.20 -41.62 0.44 0.00 99.56 0.04 0.02 0.32 99.46 0.16 0.00 0.00 0.00 55 T H H 32.64 14.80 23.29 37.64 92.12 49.45 -65.61 -41.45 1.54 0.00 98.45 0.10 0.07 1.29 98.17 0.36 0.00 0.00 0.00 56 T H H 40.84 14.48 24.39 38.13 92.51 49.75 -65.99 -40.99 5.60 0.01 94.40 0.26 0.29 4.90 93.97 0.57 0.00 0.00 0.00 57 A H H 34.60 12.04 24.42 36.50 92.62 51.08 -65.54 -41.20 10.02 0.06 89.92 1.04 0.99 7.82 89.20 0.85 0.03 0.02 0.03 58 F H H 74.69 10.48 26.09 36.74 92.11 50.16 -64.64 -41.85 4.19 0.03 95.78 0.78 0.63 2.80 94.92 0.82 0.02 0.02 0.02 59 G H H 14.51 15.33 22.61 37.78 91.60 51.59 -63.44 -41.88 3.04 0.02 96.94 0.63 0.35 2.03 96.08 0.89 0.01 0.01 0.01 60 H H H 59.48 15.43 23.61 37.92 91.87 50.81 -64.99 -41.62 2.46 0.03 97.51 0.52 0.27 1.73 96.45 0.98 0.01 0.02 0.01 61 I H H 70.67 10.04 25.32 35.54 92.04 48.96 -64.44 -42.62 1.59 0.04 98.37 0.33 0.18 1.09 97.63 0.72 0.01 0.02 0.01 62 L H H 63.65 9.89 25.48 35.22 91.80 48.27 -64.59 -42.56 2.00 0.03 97.97 0.36 0.19 1.41 97.34 0.67 0.01 0.02 0.01 63 G H H 11.74 15.99 21.15 37.24 91.91 50.19 -64.46 -42.02 3.44 0.02 96.54 0.57 0.30 2.36 96.08 0.68 0.00 0.01 0.01 64 V H H 41.96 13.27 22.12 35.40 91.88 51.01 -63.46 -42.68 1.92 0.02 98.06 0.36 0.21 1.22 97.47 0.72 0.01 0.01 0.00 65 G H H 25.74 8.33 21.43 30.37 91.87 50.93 -63.74 -41.71 1.98 0.03 97.99 0.40 0.20 1.29 96.90 1.18 0.01 0.02 0.00 66 L H H 67.99 9.10 20.59 29.78 92.37 49.43 -65.69 -41.09 2.41 0.04 97.55 0.35 0.21 1.77 95.95 1.67 0.01 0.03 0.01 67 V H H 50.82 13.41 18.00 31.29 93.16 47.58 -67.59 -38.79 5.23 0.08 94.70 0.47 0.44 4.33 93.25 1.41 0.03 0.04 0.02 68 L H H 76.53 8.70 16.47 26.01 94.30 48.03 -77.99 -18.44 32.43 0.34 67.22 1.57 2.25 28.61 65.27 1.85 0.13 0.15 0.17 69 G C T 43.96 5.51 15.58 22.09 99.12 -103.78 59.67 5.01 68.43 0.61 30.96 8.45 4.65 52.76 31.50 2.06 0.02 0.28 0.28 70 L C C 94.43 6.53 12.13 20.05 98.35 90.84 -79.64 -14.67 74.70 3.34 21.97 35.07 13.45 26.64 18.14 3.56 0.03 1.52 1.60 71 H C C 121.40 4.96 11.15 17.69 106.26 62.68 -92.25 43.37 84.97 2.80 12.23 60.09 4.19 20.37 10.07 2.28 0.00 1.59 1.41 72 N C C 113.88 3.71 12.62 17.97 106.00 -120.37 -86.20 74.41 99.92 0.06 0.02 99.76 0.12 0.06 0.01 0.00 0.00 0.03 0.01