# 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 119.56 5.12 11.74 18.50 117.28 -160.93 -103.65 131.26 99.49 0.44 0.07 99.50 0.12 0.05 0.04 0.01 0.00 0.24 0.05 1 M C C 116.42 5.04 9.23 16.11 117.51 -159.81 -100.72 133.51 77.12 17.90 4.98 75.13 0.97 1.63 3.90 0.92 0.00 14.71 2.74 2 R C C 167.32 2.23 10.30 14.21 116.28 -149.53 -100.22 130.64 60.68 30.13 9.20 49.79 5.97 3.51 7.53 2.54 0.02 26.77 3.86 3 I C C 95.51 7.56 7.91 16.78 116.02 -154.24 -100.50 129.98 58.11 27.48 14.41 45.74 6.88 4.11 11.67 3.67 0.03 25.38 2.51 4 S C C 68.41 3.95 10.92 16.48 115.81 -150.53 -95.57 141.18 61.04 20.24 18.72 46.78 7.79 5.25 14.51 4.89 0.02 19.08 1.68 5 R C C 160.10 3.77 10.19 15.72 103.92 -146.77 -84.47 3.24 48.07 16.54 35.39 29.62 9.85 9.09 23.94 11.38 0.11 14.25 1.78 6 K C C 141.04 2.98 11.03 15.39 104.13 73.51 -84.54 5.58 46.15 17.20 36.65 28.57 8.48 9.55 22.62 13.80 0.09 15.15 1.73 7 L C C 102.33 5.62 9.84 16.93 106.19 76.08 -87.72 40.96 49.33 18.21 32.45 29.39 9.22 11.15 19.58 12.82 0.12 15.66 2.08 8 L C C 107.26 4.90 11.11 17.61 107.35 82.95 -90.78 64.60 56.22 20.25 23.53 32.74 13.14 11.35 15.23 7.96 0.28 16.46 2.85 9 V C C 78.89 6.17 10.79 18.75 116.98 90.13 -103.29 128.12 77.51 17.25 5.24 44.53 30.60 3.06 4.02 1.44 0.06 13.68 2.61 10 P C C 83.97 4.93 12.22 18.84 111.72 -113.86 -67.71 142.13 76.52 16.58 6.91 67.27 5.09 3.24 4.80 2.31 0.00 14.86 2.41 11 V C C 90.78 6.59 9.49 17.53 109.25 -145.11 -90.51 110.32 64.22 14.43 21.36 47.33 8.72 8.12 9.17 12.37 0.05 10.26 3.98 12 A C C 73.57 4.31 10.88 16.67 106.21 71.90 -85.87 66.46 65.42 11.79 22.80 33.36 15.60 18.63 6.78 14.64 0.16 8.18 2.65 13 N C C 113.06 3.19 12.38 16.71 104.94 58.69 -91.38 63.12 70.27 10.60 19.13 36.87 15.82 19.36 4.65 13.51 0.10 7.31 2.37 14 F C C 105.06 8.61 9.01 18.76 113.37 147.78 -93.79 123.07 78.88 13.95 7.17 57.95 14.83 5.61 3.01 4.38 0.04 9.02 5.15 15 R C C 149.34 3.50 12.62 17.87 117.43 -165.80 -104.73 128.81 89.00 10.37 0.63 72.01 15.76 1.22 0.28 0.39 0.00 7.47 2.87 16 P C C 73.35 8.44 9.63 19.42 113.38 -111.57 -67.57 146.28 90.21 8.43 1.36 77.87 8.13 3.87 0.45 0.93 0.00 6.46 2.29 17 K C C 149.22 2.71 11.52 15.82 109.34 -133.23 -87.20 116.89 91.89 6.98 1.13 61.35 27.23 3.38 0.41 0.75 0.00 3.58 3.30 18 K C C 137.26 3.00 11.30 15.92 118.11 -117.04 -100.18 136.28 93.31 5.45 1.24 55.40 36.66 1.81 0.38 0.81 0.00 3.09 1.84 19 P C C 89.72 5.38 10.62 17.73 111.26 -105.80 -69.52 143.01 89.84 5.44 4.73 71.48 9.40 8.65 0.95 4.06 0.00 3.85 1.62 20 W C C 138.17 7.49 8.47 17.25 113.35 -127.08 -92.30 132.84 79.13 15.46 5.42 55.22 12.21 11.20 1.30 4.49 0.01 8.94 6.63 21 D C C 115.16 2.05 11.91 14.99 108.12 -160.18 -94.87 72.85 81.48 14.43 4.09 47.86 23.02 11.17 1.00 3.28 0.02 8.94 4.71 22 G C S 35.82 5.45 10.64 17.65 128.70 107.18 -134.78 176.01 88.88 7.09 4.04 36.77 39.83 12.88 1.25 2.57 0.01 4.32 2.36 23 P C T 101.39 3.28 11.92 16.38 100.06 -60.59 -69.41 -10.55 85.79 2.44 11.76 21.67 20.72 44.06 5.28 5.83 0.02 1.43 0.98 24 W C T 156.88 5.44 11.17 17.80 102.73 51.27 -87.96 12.48 77.12 7.22 15.65 19.78 17.58 40.62 8.83 6.35 0.10 4.73 2.02 25 G C C 38.71 6.94 13.44 21.52 108.63 -106.10 84.07 11.96 60.42 20.34 19.24 33.62 15.61 12.81 12.17 6.76 0.22 15.36 3.46 26 I C C 78.75 9.06 12.03 22.28 116.42 67.99 -97.49 131.42 50.41 32.20 17.40 38.54 6.63 4.28 14.09 4.22 0.08 28.69 3.48 27 Q C E 102.30 6.13 15.17 22.47 114.32 -148.76 -93.44 124.76 42.39 39.69 17.92 33.44 4.48 3.46 14.96 3.88 0.07 36.26 3.44 28 I C C 73.83 10.78 11.43 22.95 112.34 -165.23 -97.44 120.88 44.17 32.80 23.02 33.22 5.69 4.60 18.47 5.22 0.09 29.94 2.77 29 S C C 60.15 6.35 12.65 20.31 112.07 -152.51 -93.14 131.51 56.63 22.95 20.42 40.46 8.34 7.16 15.60 5.43 0.07 20.54 2.40 30 Q C C 119.61 4.30 11.22 17.07 105.74 -155.37 -87.82 52.93 66.05 13.43 20.53 39.67 15.00 11.76 14.35 6.34 0.10 10.38 2.41 31 K C C 127.43 4.34 10.31 16.29 108.89 108.96 -87.52 105.31 71.47 7.59 20.95 40.99 15.61 15.23 14.17 6.75 0.05 5.14 2.05 32 K C T 144.37 3.01 10.84 15.42 105.15 -128.44 -83.77 13.04 79.53 3.44 17.03 28.97 19.17 32.18 10.52 5.91 0.04 2.01 1.20 33 D C C 102.09 3.48 11.95 16.70 104.81 59.24 -89.13 50.07 80.40 3.41 16.19 33.22 19.41 28.59 10.27 5.28 0.03 1.96 1.24 34 R C C 109.51 7.90 11.28 20.44 113.74 117.05 -95.02 123.32 73.58 3.79 22.63 48.84 19.26 4.73 21.60 2.25 0.01 2.18 1.13 35 P C H 68.99 6.81 13.83 22.02 101.54 -118.86 -67.83 -16.69 53.56 3.86 42.57 37.84 5.42 9.12 40.45 3.41 0.01 3.02 0.73 36 F H H 104.36 6.75 14.77 22.47 96.66 62.42 -69.10 -35.62 32.48 8.75 58.77 22.98 4.43 6.30 53.95 3.68 0.04 7.58 1.01 37 I H H 75.56 6.61 15.70 23.50 94.07 57.68 -66.48 -40.65 13.99 11.02 74.98 10.01 2.09 3.01 69.72 3.52 0.02 11.02 0.61 38 A H H 40.27 8.09 15.56 25.06 93.05 52.99 -65.91 -40.08 8.74 9.90 81.35 5.92 1.44 2.34 75.45 3.92 0.03 10.46 0.44 39 M H H 78.17 7.93 16.41 25.37 93.01 52.44 -66.31 -39.69 6.30 6.43 87.28 3.44 1.11 2.35 81.17 4.75 0.04 6.86 0.27 40 W H H 115.45 7.30 17.22 25.35 92.89 51.88 -67.17 -38.74 7.83 4.71 87.46 3.38 1.29 3.70 81.20 5.20 0.06 4.89 0.27 41 I H H 72.99 8.00 17.29 26.04 93.92 49.46 -69.33 -38.91 17.72 3.83 78.44 4.32 2.13 11.83 71.94 5.34 0.16 3.86 0.42 42 L H H 66.58 8.52 17.20 26.53 94.26 49.48 -71.32 -37.25 22.13 2.92 74.95 4.88 3.63 14.44 69.92 3.63 0.29 2.64 0.58 43 F H H 83.85 8.05 17.27 26.31 93.19 55.27 -64.78 -41.84 27.27 2.71 70.02 15.13 6.94 5.94 64.75 4.33 0.02 2.34 0.55 44 P H H 54.65 7.21 17.44 25.91 92.34 50.93 -65.60 -39.13 19.13 3.33 77.54 12.06 2.40 4.88 71.45 5.59 0.02 3.18 0.43 45 L H H 70.92 7.04 17.42 25.41 92.78 50.49 -66.42 -39.61 10.15 4.72 85.13 5.26 1.86 3.51 76.36 8.15 0.05 4.43 0.38 46 L H H 69.19 7.20 16.92 25.22 93.10 50.49 -66.73 -39.53 12.06 6.52 81.42 6.72 2.17 3.82 74.70 5.83 0.08 6.12 0.57 47 L H H 73.06 6.90 16.57 24.56 93.35 49.99 -67.21 -38.93 18.82 8.74 72.45 10.37 3.03 5.96 67.43 4.35 0.07 7.84 0.95 48 V H H 67.01 6.50 16.09 23.70 94.26 49.52 -68.60 -39.70 24.13 8.36 67.51 13.57 3.97 6.99 63.80 3.14 0.06 7.40 1.08 49 D H H 75.10 5.53 16.92 23.21 95.23 50.20 -69.34 -35.20 31.07 6.11 62.82 16.18 4.27 10.57 59.46 3.21 0.04 5.49 0.79 50 H H H 91.48 6.35 15.97 23.25 96.52 49.03 -74.05 -31.49 35.03 5.65 59.32 15.38 5.43 14.92 54.26 4.24 0.11 4.71 0.95 51 L H H 73.05 7.49 14.60 23.34 97.12 56.87 -73.04 -33.83 42.15 5.53 52.32 22.45 7.94 12.67 47.83 3.86 0.10 3.82 1.33 52 T H H 63.54 6.00 15.31 22.48 98.28 56.76 -72.34 -39.29 45.13 4.42 50.44 29.56 7.67 8.05 47.69 3.01 0.03 2.72 1.26 53 R H H 129.29 5.04 15.94 21.79 94.50 50.02 -67.94 -38.92 18.85 1.95 79.21 9.95 4.02 7.01 71.55 5.47 0.08 1.47 0.45 54 E H H 102.56 4.58 16.95 22.08 94.48 50.36 -68.92 -39.12 15.15 2.65 82.19 7.51 2.59 6.57 73.94 6.36 0.10 2.46 0.45 55 Y H H 90.87 7.17 15.92 24.35 93.92 48.47 -68.40 -40.17 12.61 4.04 83.35 6.25 2.29 5.50 74.48 6.82 0.14 3.99 0.53 56 Y H H 86.66 7.78 15.51 24.68 92.84 51.40 -66.28 -39.66 12.22 5.04 82.74 6.22 2.27 5.09 75.34 5.50 0.14 4.79 0.65 57 A H H 46.53 5.58 15.10 22.26 92.63 54.39 -65.30 -38.71 17.42 4.51 78.08 7.41 2.67 8.35 70.37 6.05 0.19 4.26 0.68 58 Y H H 122.30 4.12 15.66 20.61 93.18 50.44 -67.78 -36.96 23.27 3.73 73.00 8.00 3.60 12.61 65.96 5.59 0.24 3.26 0.73 59 W H H 121.36 6.21 13.41 21.00 94.39 50.54 -71.84 -33.46 32.26 4.76 62.97 14.09 5.84 14.01 56.91 4.28 0.20 3.58 1.09 60 H H H 104.35 5.84 12.12 19.34 98.41 51.76 -82.59 -10.50 45.66 5.02 49.32 21.53 8.03 17.39 44.21 4.05 0.13 3.27 1.39 61 S C H 72.48 4.07 11.04 16.49 101.30 68.78 -81.14 -2.37 58.07 3.96 37.97 23.31 10.77 24.70 30.86 6.55 0.11 2.38 1.33 62 S C T 76.40 3.51 10.55 15.57 103.37 67.86 -85.31 9.62 71.93 3.53 24.54 23.62 15.44 33.19 18.30 6.10 0.06 2.08 1.21 63 K C C 153.81 2.13 11.73 14.98 102.13 -139.10 -84.49 18.81 79.79 6.28 13.92 33.92 22.20 24.63 8.74 4.77 0.04 3.96 1.74 64 V C C 78.25 6.18 9.29 17.34 116.30 122.81 -101.63 129.48 90.37 8.50 1.13 48.39 41.76 1.47 0.73 0.42 0.00 5.48 1.75 65 P C C 90.19 3.56 12.72 17.76 113.19 -113.74 -67.71 144.06 88.08 9.37 2.56 81.62 4.45 1.88 1.66 0.89 0.00 7.25 2.25 66 V C C 90.54 7.22 8.64 17.27 114.77 -145.57 -98.82 130.52 69.88 18.18 11.94 56.07 7.75 4.63 8.93 3.81 0.05 11.65 7.10 67 T C C 91.17 3.39 10.79 15.87 116.26 -166.31 -105.10 138.34 64.41 15.55 20.04 44.31 12.03 7.71 14.40 6.27 0.09 11.69 3.50 68 D C C 102.45 3.54 10.43 15.56 110.83 -132.25 -90.09 123.36 57.98 13.20 28.82 37.10 11.38 9.80 19.08 9.82 0.12 10.00 2.71 69 V C C 100.10 4.28 8.95 14.83 105.67 -157.48 -87.71 34.84 53.69 12.86 33.45 28.85 11.10 15.07 20.89 11.66 0.28 9.21 2.94 70 F C T 143.06 3.15 8.68 13.42 107.25 62.37 -90.48 70.55 58.69 13.05 28.27 23.31 12.96 23.78 16.36 10.88 0.42 8.99 3.31 71 G C C 52.77 2.72 9.67 13.92 107.90 -8.80 76.31 6.94 73.92 10.68 15.41 31.12 17.70 27.28 7.06 7.04 0.13 7.12 2.56 72 D C C 112.95 2.14 9.21 12.79 106.89 70.44 -89.71 76.33 85.83 6.50 7.67 70.32 3.64 12.44 3.28 3.51 0.00 4.69 2.12 73 F C C 127.28 6.07 9.33 16.89 107.25 130.86 -90.26 87.26 99.63 0.32 0.04 99.51 0.16 0.09 0.02 0.01 0.00 0.18 0.04