# 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 123.68 4.67 11.59 17.94 115.67 -157.14 -97.04 133.07 99.24 0.72 0.04 99.15 0.23 0.09 0.02 0.01 0.00 0.39 0.11 1 G C C 53.04 3.62 9.63 15.02 114.79 -158.88 -92.67 150.84 91.30 6.98 1.72 84.81 2.02 4.57 0.57 0.92 0.00 4.38 2.73 2 G C C 57.50 2.42 9.15 13.15 111.98 -95.33 -118.75 149.32 89.47 7.59 2.94 56.48 18.30 14.47 0.62 2.62 0.00 4.45 3.06 3 G C C 58.50 1.97 9.27 12.75 112.41 10.89 -74.25 148.00 87.43 7.07 5.50 44.48 23.79 19.33 0.92 4.92 0.00 3.78 2.78 4 G C C 58.89 2.07 9.22 12.73 110.27 -4.88 -88.86 140.88 87.21 5.29 7.50 42.01 25.14 20.14 1.21 6.57 0.00 2.70 2.23 5 H C C 155.84 1.59 8.75 11.67 107.73 -118.81 -92.33 101.12 84.35 5.58 10.07 40.71 22.53 21.32 1.75 8.39 0.01 2.70 2.60 6 G C C 56.32 2.29 8.63 12.47 112.07 -26.20 -76.32 142.54 85.30 4.31 10.39 36.65 23.98 24.85 1.56 8.89 0.00 2.11 1.96 7 G C C 59.84 1.70 9.21 12.20 110.94 -59.67 -90.10 133.52 86.77 3.61 9.61 36.79 23.19 26.84 1.43 8.37 0.00 1.80 1.58 8 G C C 56.89 2.05 8.80 12.31 115.52 -43.17 -96.98 163.11 86.71 5.37 7.92 42.00 25.88 19.03 1.43 6.59 0.00 2.86 2.20 9 I C C 133.74 1.92 8.35 11.85 111.73 -115.96 -94.97 131.01 81.23 11.96 6.81 51.37 21.84 8.03 2.23 4.61 0.01 6.58 5.32 10 T C C 104.65 2.06 7.87 11.73 115.37 -158.26 -98.20 132.61 80.57 11.89 7.54 55.71 15.04 9.53 2.39 5.28 0.01 7.55 4.49 11 Y C C 166.71 2.64 7.13 11.63 113.51 -157.29 -98.28 123.87 79.77 10.20 10.04 48.04 16.49 15.58 2.77 7.21 0.01 5.88 4.01 12 K C C 167.09 1.07 8.86 10.68 110.72 -144.15 -94.67 114.80 84.77 6.19 9.04 33.80 21.75 30.38 1.95 6.50 0.01 3.42 2.18 13 G C C 57.39 1.62 8.99 11.70 115.70 -28.34 104.74 -172.27 88.05 6.61 5.34 33.46 29.74 25.73 0.87 4.43 0.00 3.97 1.81 14 V C C 116.71 2.23 7.58 11.57 114.58 -61.81 -94.87 132.69 80.12 17.00 2.89 55.50 18.60 5.59 0.92 2.18 0.00 10.35 6.84 15 T C C 105.38 1.78 9.34 12.68 117.14 -159.57 -105.41 128.68 82.80 16.10 1.10 67.90 12.51 1.76 0.44 0.74 0.00 11.53 5.12 16 V C C 105.64 3.78 7.75 13.69 115.10 -146.81 -90.42 132.35 88.26 11.37 0.37 79.56 7.78 0.74 0.15 0.23 0.00 8.07 3.47 17 H C C 137.06 2.70 9.72 14.25 114.46 -136.55 -90.46 132.93 95.51 4.29 0.20 89.74 5.56 0.39 0.08 0.10 0.00 2.26 1.87 18 T C C 103.76 2.48 10.35 14.70 115.43 -124.99 -89.91 135.18 98.97 0.84 0.19 92.90 5.86 0.30 0.10 0.06 0.00 0.35 0.43 19 P C C 70.50 8.15 7.48 16.90 114.42 -108.74 -67.77 149.05 98.34 0.46 1.20 92.39 4.88 1.17 0.79 0.27 0.00 0.17 0.33 20 K C C 130.35 1.97 11.89 14.60 114.59 -107.78 -73.19 149.44 94.97 0.86 4.17 90.26 3.49 1.20 3.66 0.46 0.00 0.25 0.67 21 T H H 106.07 1.70 10.26 13.10 93.17 -113.21 -59.25 -37.71 8.11 0.06 91.83 2.58 1.89 3.97 90.23 1.27 0.01 0.02 0.03 22 W H H 183.57 0.99 12.45 12.81 92.17 53.63 -65.73 -38.54 3.32 0.03 96.66 0.76 0.43 2.01 95.66 1.12 0.00 0.01 0.01 23 H H H 89.81 5.20 12.01 18.65 93.04 49.46 -67.65 -39.45 1.44 0.02 98.54 0.45 0.18 0.76 97.49 1.10 0.00 0.01 0.00 24 T H H 57.46 7.14 12.46 21.03 92.29 51.07 -64.53 -41.97 1.05 0.01 98.94 0.31 0.11 0.53 98.62 0.41 0.00 0.01 0.00 25 V H H 88.55 1.92 16.64 17.96 92.11 48.60 -65.07 -42.01 1.05 0.01 98.94 0.22 0.10 0.62 98.83 0.21 0.00 0.00 0.00 26 T H H 75.19 2.07 17.46 18.85 91.88 48.91 -64.70 -41.80 0.98 0.00 99.02 0.20 0.09 0.57 99.00 0.14 0.00 0.00 0.00 27 G H H 22.59 7.44 14.10 23.31 92.04 50.79 -64.09 -41.76 1.01 0.01 98.99 0.20 0.08 0.58 99.01 0.12 0.00 0.00 0.00 28 K H H 108.36 4.94 16.84 22.40 91.86 50.10 -64.44 -41.07 0.54 0.00 99.46 0.08 0.04 0.33 99.47 0.08 0.00 0.00 0.00 29 G H H 39.98 1.89 17.85 18.82 91.79 50.17 -63.88 -41.74 0.51 0.00 99.49 0.08 0.04 0.31 99.51 0.07 0.00 0.00 0.00 30 L H H 92.10 2.63 17.68 19.92 92.06 49.21 -65.00 -41.01 0.26 0.00 99.74 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 31 C H H 52.15 6.18 15.09 22.35 91.98 50.33 -64.46 -41.04 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 32 A H H 55.80 2.94 16.51 19.65 91.79 50.99 -63.77 -41.10 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 33 V H H 86.12 1.75 17.18 17.96 91.73 49.87 -64.59 -41.23 0.31 0.00 99.69 0.02 0.01 0.21 99.72 0.04 0.00 0.00 0.00 34 M H H 92.13 3.74 15.69 19.91 91.87 50.34 -64.81 -40.69 0.34 0.00 99.66 0.04 0.02 0.22 99.69 0.04 0.00 0.00 0.00 35 W H H 131.56 4.22 15.41 20.19 91.90 50.04 -64.54 -41.48 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 36 F H H 118.88 2.03 16.57 18.07 91.74 50.16 -64.61 -41.61 0.24 0.00 99.76 0.01 0.01 0.18 99.76 0.04 0.00 0.00 0.00 37 W H H 138.73 2.36 16.56 18.74 91.83 50.05 -64.49 -41.95 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 38 I H H 78.17 5.11 15.33 21.33 91.67 49.71 -64.29 -42.20 0.20 0.00 99.80 0.01 0.01 0.15 99.76 0.07 0.00 0.00 0.00 39 L H H 84.59 3.63 16.19 20.25 91.79 49.91 -64.17 -41.17 0.51 0.00 99.49 0.03 0.02 0.40 99.41 0.14 0.00 0.00 0.00 40 Y H H 121.70 2.08 17.06 18.59 91.78 49.68 -64.76 -41.61 1.05 0.00 98.95 0.08 0.07 0.83 98.72 0.30 0.00 0.00 0.00 41 R H H 104.46 4.14 15.54 20.62 92.07 50.54 -64.54 -41.01 1.74 0.01 98.25 0.19 0.15 1.32 97.85 0.48 0.00 0.00 0.00 42 A H H 43.99 6.61 12.57 20.87 91.78 51.69 -64.40 -39.76 2.06 0.01 97.93 0.28 0.20 1.46 97.07 0.98 0.01 0.00 0.00 43 K H H 136.60 2.19 15.11 17.58 93.28 48.76 -68.33 -36.95 3.72 0.02 96.26 0.30 0.26 3.04 95.09 1.28 0.01 0.01 0.00 44 Q H H 124.38 1.69 15.25 16.48 97.25 41.09 -79.33 -35.64 9.26 0.03 90.71 0.36 0.60 8.37 89.45 1.17 0.03 0.01 0.01 45 D H H 82.41 4.11 13.90 19.09 103.96 22.03 -109.78 -6.94 29.23 0.20 70.57 3.63 5.04 20.78 69.09 1.20 0.06 0.06 0.15 46 G C C 24.81 6.81 12.36 21.13 106.64 76.33 -18.55 -44.80 60.92 0.67 38.41 50.29 5.20 6.93 30.20 6.70 0.00 0.29 0.39 47 P H H 59.88 5.91 12.48 20.14 93.30 12.85 -65.13 -33.27 22.01 0.71 77.27 5.04 3.84 12.64 52.52 25.10 0.17 0.39 0.30 48 V H H 83.36 4.27 12.88 18.48 92.98 56.65 -65.98 -39.47 13.99 1.16 84.85 2.54 2.24 8.80 56.50 28.49 0.31 0.80 0.32 49 V H H 97.13 3.44 12.64 17.40 92.82 50.48 -68.85 -33.37 16.39 1.16 82.45 2.07 2.24 11.30 54.53 28.25 0.48 0.76 0.38 50 M H T 115.12 3.15 11.89 16.26 94.37 48.48 -89.19 -0.26 46.20 0.84 52.96 1.69 4.36 38.00 27.40 27.03 0.37 0.44 0.70 51 G C T 54.53 2.25 13.18 16.45 95.78 -105.17 82.16 9.56 97.78 0.32 1.90 5.03 7.80 85.25 0.77 0.83 0.00 0.19 0.14 52 W C C 144.04 4.63 10.58 16.99 106.38 125.26 -91.71 57.33 94.14 4.60 1.27 62.19 25.27 6.55 0.38 0.94 0.00 2.37 2.31 53 R C C 135.40 4.99 11.99 18.78 120.31 54.47 -109.64 139.63 92.83 6.38 0.79 66.47 24.10 2.01 0.28 0.51 0.00 2.79 3.84 54 H C C 87.26 7.49 10.24 19.45 116.15 -125.63 -88.41 138.94 96.68 2.49 0.83 85.13 10.21 1.19 0.27 0.53 0.00 1.16 1.51 55 P C T 93.19 3.77 12.17 17.47 93.75 -123.63 -62.39 -24.52 79.13 0.93 19.93 16.27 12.46 50.27 3.37 16.60 0.00 0.50 0.51 56 W C T 169.34 3.15 10.98 15.51 97.35 58.04 -82.12 -8.66 73.40 1.73 24.86 12.36 12.00 48.55 4.53 20.62 0.02 0.90 1.03 57 D C T 88.38 5.03 10.20 16.89 106.36 81.51 -81.13 96.26 69.31 2.58 28.11 21.57 15.43 33.42 4.71 22.20 0.01 1.25 1.40 58 G C T 50.47 3.67 11.52 16.57 103.14 23.83 82.95 2.51 79.93 2.28 17.79 28.66 17.99 33.94 3.86 13.18 0.01 1.10 1.26 59 H C C 122.97 4.24 10.21 16.13 106.64 117.60 -88.96 70.46 81.62 3.48 14.90 41.18 18.83 21.87 3.57 10.95 0.01 1.55 2.06 60 G C C 51.60 3.03 11.86 16.18 109.44 4.05 79.29 -98.04 82.75 2.89 14.36 35.07 21.64 26.57 2.77 11.07 0.01 1.31 1.56 61 D C C 106.52 3.14 10.95 15.56 104.14 -1.70 -87.98 36.14 80.18 3.31 16.50 40.82 18.68 20.86 3.26 13.00 0.01 1.51 1.86 62 H C C 124.12 4.46 10.02 16.17 107.06 109.28 -90.64 82.58 81.46 3.08 15.46 36.28 17.98 27.69 3.18 11.75 0.01 1.42 1.69 63 G C C 47.08 4.59 10.38 16.54 109.70 -101.48 -87.91 89.78 84.97 2.96 12.07 38.04 19.96 27.23 2.24 9.59 0.00 1.35 1.58 64 H C C 132.23 3.58 9.65 14.86 107.05 136.97 -92.44 75.20 81.32 4.14 14.54 43.52 20.13 17.68 3.08 11.25 0.01 1.84 2.50 65 G C C 52.57 2.96 9.84 14.33 108.20 -91.12 41.13 21.04 80.41 2.60 16.99 33.27 21.71 25.82 2.46 14.23 0.00 1.22 1.28 66 D C C 113.38 2.18 8.73 12.36 105.55 102.18 -88.55 50.51 80.15 2.94 16.91 37.03 20.84 22.23 2.28 14.85 0.00 1.44 1.32 67 H C C 141.68 2.51 7.77 11.99 109.97 143.76 -91.03 104.47 85.52 3.18 11.29 66.50 7.21 11.40 2.17 9.40 0.00 1.80 1.54 68 H C C 139.64 3.25 9.76 14.74 110.16 -164.57 -90.97 109.16 99.66 0.22 0.12 99.16 0.33 0.28 0.04 0.04 0.00 0.11 0.05