# 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 D C C 82.97 7.63 20.08 27.99 104.61 -105.27 -88.62 82.30 99.75 0.19 0.06 99.59 0.15 0.10 0.02 0.01 0.00 0.08 0.04 1 C C C 38.64 15.85 13.84 29.23 105.44 152.45 -91.47 39.17 77.63 7.88 14.49 70.35 2.25 5.65 9.92 3.35 0.00 4.34 4.13 2 A C C 39.62 12.76 13.56 26.63 110.15 68.21 -80.48 134.39 73.05 11.96 14.98 51.16 11.62 9.76 9.11 5.79 0.03 7.06 5.47 3 K C C 129.52 4.31 16.66 21.99 109.51 -134.21 -86.72 115.72 72.33 10.33 17.34 47.15 13.24 12.05 8.92 8.15 0.04 6.39 4.06 4 E C T 118.97 6.69 14.51 22.39 107.66 -83.87 -71.25 123.52 76.43 7.23 16.34 15.49 13.68 47.18 7.62 8.32 0.13 4.60 2.97 5 G C T 40.95 8.03 16.40 25.07 101.47 17.37 85.14 -2.24 84.76 5.71 9.53 20.59 15.44 49.77 3.17 5.51 0.02 4.18 1.31 6 E C C 80.21 9.98 16.42 27.21 117.44 130.41 -88.72 138.26 77.25 18.03 4.72 60.25 11.38 4.65 1.91 2.86 0.00 14.58 4.37 7 V C C 65.43 11.40 17.82 29.60 116.09 -139.54 -94.95 131.35 51.75 45.01 3.24 38.87 7.55 2.21 2.08 1.40 0.03 26.21 21.65 8 C C C 26.52 17.07 13.67 30.64 117.95 -143.04 -98.27 141.95 74.20 22.96 2.84 60.07 8.48 4.47 1.20 1.65 0.00 19.76 4.37 9 S C C 63.40 6.66 18.40 25.65 106.68 -138.12 -85.50 16.75 80.05 15.16 4.78 42.58 20.03 18.33 1.40 3.25 0.01 11.21 3.19 10 W C T 135.60 9.03 15.15 24.74 103.40 5.27 -80.18 61.36 88.17 5.28 6.55 12.87 23.02 52.49 1.68 4.55 0.02 3.69 1.69 11 G C T 43.09 7.12 16.24 23.96 104.15 -17.04 84.76 -2.60 90.61 2.62 6.77 17.13 26.86 47.15 1.77 4.54 0.00 1.61 0.94 12 K C C 101.68 8.79 16.12 25.66 112.99 95.27 -94.73 134.50 74.61 13.09 12.31 38.93 22.67 14.00 4.53 7.27 0.05 8.73 3.83 13 K C C 106.68 9.27 19.20 28.69 109.74 -125.13 -86.87 109.77 54.17 30.08 15.74 31.45 13.49 10.58 6.42 9.07 0.32 20.46 8.23 14 C C C 26.01 17.18 16.82 33.80 116.63 -150.59 -102.37 135.42 49.76 31.61 18.63 29.25 12.03 10.29 7.55 10.52 0.32 22.14 7.90 15 C C C 24.50 16.64 16.54 33.30 116.80 -136.00 -98.84 133.26 53.55 30.87 15.58 33.09 12.11 9.60 6.70 8.32 0.34 21.18 8.64 16 D C C 70.35 8.94 18.65 28.10 108.75 -149.71 -93.37 93.88 69.92 20.35 9.73 47.86 13.11 9.43 3.73 5.83 0.03 15.61 4.39 17 L C T 73.38 11.58 14.53 26.42 101.69 97.47 -82.07 7.10 71.60 14.95 13.45 24.65 19.85 28.67 4.00 8.68 0.15 9.13 4.88 18 D C T 91.75 5.61 16.97 23.36 99.61 39.06 -84.77 18.89 87.60 3.17 9.23 9.71 17.65 60.15 1.89 7.18 0.01 2.16 1.27 19 N C T 92.54 8.19 17.05 25.82 97.29 -70.28 61.55 27.31 88.63 4.78 6.59 19.16 20.81 49.19 1.01 5.23 0.00 3.54 1.04 20 F C C 60.63 14.88 16.00 30.85 116.37 134.92 -101.49 135.45 66.09 31.11 2.80 44.92 13.22 7.58 0.93 2.15 0.02 22.38 8.80 21 Y C C 95.25 11.82 21.67 33.26 114.88 -149.59 -101.74 125.16 61.13 36.32 2.54 40.37 14.86 5.69 1.06 1.72 0.04 25.55 10.72 22 C C C 12.81 21.27 16.35 37.42 120.08 -160.11 -105.67 134.88 78.41 20.34 1.25 56.58 20.00 2.20 0.50 0.77 0.01 16.01 3.93 23 P C C 32.86 11.67 19.84 32.80 110.86 -110.85 -66.40 143.04 78.37 18.39 3.25 71.27 4.49 2.31 1.62 1.59 0.00 11.49 7.24 24 M H G 89.14 10.99 16.96 28.30 93.72 -119.94 -61.80 -31.46 29.51 1.67 68.81 6.20 5.14 19.13 7.60 60.28 0.02 1.11 0.52 25 E H G 110.81 5.10 19.78 25.48 92.35 61.56 -68.20 -26.31 27.37 1.31 71.32 3.04 3.82 20.56 9.32 61.96 0.05 0.91 0.35 26 F H G 37.95 16.89 16.22 32.82 97.02 47.45 -85.12 -24.69 24.08 1.68 74.24 4.67 4.24 15.59 14.37 59.43 0.05 1.16 0.49 27 I H G 27.48 19.29 14.70 33.31 94.30 68.03 -65.11 -38.88 34.29 3.91 61.79 15.59 8.21 11.47 24.60 36.35 0.19 2.33 1.25 28 P H G 71.44 5.52 19.45 25.62 92.44 62.05 -66.06 -26.88 39.77 2.73 57.50 10.27 5.68 23.25 20.91 37.06 0.14 1.88 0.82 29 H H G 90.33 8.39 17.33 26.55 96.66 50.93 -88.81 -8.76 42.02 4.10 53.89 10.40 7.27 24.28 18.74 34.86 0.39 2.59 1.46 30 C C C 21.82 19.07 10.03 28.19 109.02 93.17 -86.03 113.55 64.72 9.89 25.38 42.60 13.85 7.66 14.91 11.10 0.06 4.93 4.89 31 K C T 149.21 2.79 17.21 20.75 96.80 -162.41 -70.37 -22.50 63.62 6.60 29.78 13.52 15.06 35.39 12.65 16.41 0.30 4.39 2.27 32 K C T 123.09 5.01 17.05 22.90 99.46 53.46 -87.91 -4.37 62.21 10.29 27.50 14.38 13.56 35.09 10.49 16.14 0.25 7.67 2.42 33 Y C C 57.08 18.47 11.16 28.50 114.82 109.49 -91.91 129.79 62.85 17.83 19.32 35.48 15.59 12.49 8.05 10.83 0.16 11.39 6.01 34 K C C 103.86 7.32 18.38 26.68 121.77 -160.54 -110.01 138.45 79.45 15.68 4.87 54.56 19.44 5.44 2.34 2.54 0.01 12.27 3.40 35 P C C 72.88 9.09 18.00 27.51 107.83 -104.97 -69.62 145.80 80.25 14.32 5.43 50.48 16.43 13.55 1.82 3.55 0.01 12.08 2.08 36 Y C C 95.59 13.75 16.45 29.70 113.49 -131.05 -96.91 122.13 72.63 21.16 6.21 46.91 16.56 9.22 2.84 3.55 0.07 14.31 6.56 37 V C C 40.76 14.63 15.27 30.38 118.05 -149.17 -101.86 131.32 79.39 16.88 3.72 55.54 21.27 2.72 2.46 1.39 0.03 13.00 3.59 38 P C C 64.89 8.30 18.03 27.23 109.97 -109.35 -67.40 141.39 77.74 14.69 7.57 59.57 10.40 7.19 4.39 3.37 0.01 12.57 2.49 39 V C C 68.77 12.51 14.51 26.86 106.05 -148.82 -84.50 47.84 70.32 15.44 14.24 42.15 15.70 12.83 7.73 6.70 0.08 10.89 3.93 40 T C C 77.81 7.81 16.79 25.04 102.05 73.59 -89.28 -2.91 71.91 12.66 15.43 39.42 19.68 13.49 7.97 7.32 0.06 9.33 2.72 41 T C C 65.81 9.25 17.10 26.80 113.87 74.68 -103.36 130.93 70.91 13.42 15.68 34.46 24.16 13.54 8.07 7.11 0.13 9.58 2.94 42 N C C 80.35 9.91 19.06 29.06 104.06 -116.34 -85.72 66.00 73.31 13.53 13.16 43.92 17.10 13.04 6.27 6.58 0.06 9.62 3.42 43 C C C 25.84 17.69 16.02 33.29 110.68 154.97 -96.02 108.44 67.47 20.83 11.70 47.73 11.09 7.40 6.78 5.29 0.06 12.88 8.77 44 A C C 28.72 15.63 16.50 31.84 112.95 -121.04 -82.30 142.66 68.92 20.03 11.05 47.13 13.59 7.67 6.62 4.72 0.05 11.48 8.73 45 K C C 114.93 6.33 19.43 26.34 116.12 -128.71 -92.68 140.60 73.19 14.81 12.00 42.08 18.10 13.39 5.84 5.81 0.07 8.75 5.96 46 E C T 124.33 6.23 16.45 23.83 107.25 -77.01 -63.78 119.73 87.28 4.92 7.80 9.07 12.08 66.11 3.10 4.39 0.04 3.40 1.81 47 G C T 42.09 8.02 17.58 26.01 98.38 9.14 85.17 -0.21 92.53 2.80 4.67 13.10 14.42 65.30 1.35 2.98 0.01 2.16 0.68 48 E C C 70.33 11.68 17.33 29.60 118.47 123.10 -91.67 140.81 78.16 18.23 3.61 61.38 12.14 3.78 1.93 1.84 0.00 13.93 5.00 49 V E C 54.98 13.12 19.14 32.45 115.19 -135.78 -96.45 130.87 46.93 50.18 2.89 35.35 7.55 2.46 1.90 1.22 0.04 27.67 23.82 50 C C C 24.04 17.49 16.00 33.25 117.53 -162.03 -101.35 140.84 73.83 23.54 2.64 59.98 8.97 4.73 1.15 1.55 0.00 19.18 4.43 51 G C C 30.65 10.53 19.63 29.92 117.38 -137.45 -91.35 -118.08 83.44 13.94 2.62 43.52 24.88 15.65 0.66 2.12 0.01 10.01 3.17 52 W C T 144.01 9.14 17.21 26.52 103.96 -38.63 -77.01 73.05 90.98 5.51 3.50 10.09 26.88 54.33 0.55 2.85 0.01 3.65 1.63 53 G C T 43.44 7.54 18.18 25.94 99.99 -6.44 85.39 -0.91 93.34 3.75 2.91 14.67 33.71 45.27 0.40 2.47 0.00 2.63 0.85 54 S C C 37.27 12.68 16.24 29.46 121.07 117.54 -93.62 146.74 81.22 16.07 2.70 54.07 20.35 7.29 0.77 2.09 0.00 11.99 3.44 55 K C C 97.23 10.31 20.81 31.12 114.36 -129.67 -95.35 132.84 53.90 42.54 3.56 39.39 10.17 3.79 1.76 2.09 0.06 28.32 14.41 56 C C C 23.02 18.51 15.93 33.89 114.97 -150.33 -96.02 140.69 58.90 37.55 3.55 46.43 8.49 4.55 1.43 2.31 0.04 29.83 6.93 57 C C C 36.84 14.39 17.06 31.46 111.06 -88.70 -99.22 115.76 62.65 33.62 3.73 36.53 17.20 10.79 1.11 2.80 0.06 23.83 7.67 58 H C T 117.58 6.76 18.22 25.60 99.91 -8.09 -36.91 47.77 89.69 7.70 2.62 9.62 18.05 62.30 0.50 2.13 0.01 5.46 1.93 59 G C T 48.72 5.44 18.64 24.82 97.01 -58.31 78.00 9.36 94.53 4.33 1.14 17.53 20.51 56.72 0.13 1.07 0.00 3.50 0.54 60 L C C 38.82 16.37 14.49 31.03 121.29 128.03 -100.46 141.46 56.37 43.12 0.51 45.27 8.14 1.80 0.18 0.43 0.00 35.03 9.16 61 D E E 72.25 9.04 22.97 32.18 111.36 -133.26 -93.91 121.18 48.81 50.53 0.66 37.13 8.46 1.71 0.27 0.52 0.01 40.68 11.24 62 C C C 12.15 22.56 14.71 36.94 121.83 -159.71 -107.15 140.99 71.23 28.23 0.54 58.48 11.06 1.16 0.22 0.40 0.00 24.94 3.75 63 P C C 33.51 10.96 19.00 31.43 112.68 -105.62 -65.53 145.24 73.22 25.65 1.13 69.78 2.56 0.82 0.46 0.68 0.00 18.01 7.70 64 L H G 98.42 7.81 16.74 25.65 92.51 -118.11 -60.79 -31.70 19.16 0.88 79.97 4.58 3.00 11.33 4.42 75.86 0.00 0.69 0.11 65 A H G 66.49 4.86 19.03 24.62 90.89 62.95 -68.23 -22.01 17.49 0.43 82.08 1.97 2.02 13.00 4.38 78.24 0.00 0.33 0.06 66 F H G 31.93 18.28 14.88 32.89 97.58 45.60 -93.03 -16.14 14.10 0.36 85.54 2.59 2.03 9.13 7.12 78.78 0.00 0.29 0.05 67 I H H 37.12 17.61 14.69 31.78 95.57 80.24 -63.83 -41.86 30.73 1.12 68.16 17.26 8.34 6.61 44.42 22.29 0.02 0.62 0.43 68 P H H 73.97 3.41 20.39 23.61 91.91 55.43 -63.79 -35.60 30.18 1.46 68.36 11.77 3.84 13.53 43.71 25.62 0.06 1.06 0.40 69 Y H H 78.48 9.25 17.44 27.83 93.91 51.10 -72.81 -29.04 23.46 2.37 74.17 7.42 3.56 11.91 47.48 27.21 0.14 1.71 0.58 70 C H H 11.83 20.02 11.24 30.75 95.14 60.33 -71.67 -32.24 25.24 4.73 70.03 16.35 4.67 6.21 51.36 16.92 0.12 2.97 1.40 71 E H H 111.44 5.03 15.71 21.89 93.17 60.75 -66.13 -33.98 32.39 4.42 63.20 14.58 4.62 12.75 45.19 18.33 0.19 3.27 1.08 72 K H H 140.99 2.03 15.18 17.51 93.55 54.48 -72.07 -26.06 41.28 3.63 55.10 13.06 4.79 21.69 41.02 15.68 0.10 2.74 0.90 73 Y C C 93.38 11.30 10.35 22.02 100.34 51.44 -90.29 -1.11 56.56 2.33 41.12 34.16 2.51 20.26 31.93 8.61 0.01 1.30 1.22 74 R C C 139.40 7.40 13.61 22.30 107.76 127.79 -76.81 98.43 99.61 0.14 0.25 99.02 0.26 0.33 0.25 0.02 0.00 0.07 0.04