# 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 120.14 5.45 11.49 18.43 113.78 -171.56 -96.45 131.98 99.69 0.27 0.04 99.33 0.31 0.15 0.01 0.01 0.00 0.13 0.06 1 G C C 51.55 3.50 10.26 15.46 115.73 -153.46 -111.41 170.67 94.35 3.14 2.51 81.09 3.38 9.89 0.58 1.80 0.00 1.86 1.40 2 G C C 58.33 2.06 9.46 12.88 111.23 -2.07 -87.88 166.65 90.68 4.30 5.02 44.56 23.68 22.44 0.80 4.47 0.00 2.17 1.88 3 H C C 157.79 1.53 8.53 11.28 109.09 -81.83 -94.28 85.26 86.78 5.17 8.06 40.03 24.85 22.14 1.36 6.76 0.00 2.48 2.38 4 G C C 54.72 2.60 8.54 12.72 113.43 43.76 29.55 160.48 87.02 4.16 8.82 39.39 26.99 20.70 1.37 7.60 0.00 2.07 1.87 5 E C C 153.63 1.43 8.86 11.48 111.05 -107.47 -90.03 118.12 88.09 4.11 7.80 47.10 21.30 19.49 1.34 6.86 0.00 2.14 1.78 6 G C C 55.44 2.38 8.41 12.40 114.67 -15.92 -114.86 161.11 89.26 4.93 5.81 54.00 22.48 12.60 1.24 4.78 0.00 2.63 2.27 7 T C C 108.08 1.77 8.76 11.96 113.28 -112.40 -95.88 129.90 86.51 8.02 5.47 57.10 21.33 8.01 1.65 3.88 0.00 4.33 3.68 8 T C C 105.48 2.13 7.63 11.52 113.95 -153.14 -96.73 131.09 85.39 8.19 6.42 54.24 19.56 11.58 1.67 4.85 0.00 4.84 3.26 9 Y C C 164.64 2.84 7.02 11.67 112.84 -159.94 -98.23 118.93 83.95 8.26 7.79 54.56 16.41 12.68 2.08 5.88 0.00 4.51 3.87 10 K C C 166.04 1.11 8.64 10.63 111.29 -154.08 -94.67 118.38 88.31 5.08 6.61 42.07 20.04 26.83 1.31 5.05 0.00 2.72 1.97 11 G C C 58.22 1.54 8.77 11.39 115.35 -22.06 107.44 -46.74 90.64 5.10 4.26 35.39 30.39 25.43 0.66 3.67 0.00 2.94 1.52 12 V C C 116.98 2.28 7.20 11.18 114.79 -75.62 -96.17 131.87 82.15 15.40 2.45 58.68 18.24 4.67 0.81 1.84 0.00 8.75 7.01 13 T C C 105.65 1.67 8.91 12.08 117.68 -160.54 -108.31 129.85 84.95 14.22 0.82 71.69 11.36 1.40 0.32 0.56 0.00 10.18 4.50 14 I C C 122.85 3.41 7.53 13.01 114.96 -141.44 -90.44 132.49 88.39 11.14 0.47 79.44 7.85 0.90 0.19 0.29 0.00 7.86 3.47 15 H C C 137.15 2.76 9.26 13.80 114.99 -140.87 -91.56 134.32 94.92 4.78 0.30 87.78 6.66 0.57 0.13 0.15 0.00 2.56 2.15 16 Q C C 137.90 2.12 10.39 14.18 115.34 -124.54 -90.06 133.13 98.63 1.04 0.33 91.10 7.24 0.37 0.19 0.10 0.00 0.44 0.56 17 P C C 70.02 8.53 7.29 16.89 114.13 -109.42 -68.42 149.04 97.66 0.58 1.76 91.43 4.97 1.37 1.22 0.38 0.00 0.22 0.40 18 K C C 129.13 1.99 12.07 14.76 114.59 -110.23 -74.32 150.22 94.31 1.06 4.63 89.91 3.12 1.33 3.98 0.53 0.00 0.32 0.81 19 R H H 175.47 1.60 10.44 13.19 92.84 -112.91 -59.38 -37.31 7.34 0.05 92.60 2.15 1.65 3.76 91.05 1.35 0.01 0.02 0.02 20 W H H 183.01 1.00 12.56 12.95 92.23 53.56 -65.72 -38.39 3.44 0.02 96.54 0.79 0.44 2.08 95.38 1.30 0.00 0.01 0.01 21 H H H 87.16 5.47 12.03 18.95 93.07 49.53 -68.36 -39.06 1.56 0.02 98.42 0.50 0.19 0.81 97.18 1.30 0.00 0.01 0.00 22 T H H 56.01 7.55 12.51 21.42 92.31 50.90 -64.57 -41.90 1.10 0.01 98.88 0.34 0.12 0.55 98.55 0.43 0.00 0.01 0.00 23 I H H 99.96 2.01 16.86 18.28 92.13 48.85 -64.91 -42.04 0.90 0.01 99.09 0.19 0.09 0.52 99.01 0.19 0.00 0.00 0.00 24 T H H 74.65 2.24 17.68 19.28 91.92 48.93 -64.71 -41.87 0.69 0.00 99.30 0.14 0.06 0.39 99.30 0.11 0.00 0.00 0.00 25 G H H 21.85 8.03 14.30 24.06 92.09 50.78 -64.05 -41.82 0.68 0.00 99.32 0.13 0.05 0.39 99.34 0.09 0.00 0.00 0.00 26 K H H 106.48 5.56 17.06 23.12 91.90 49.98 -64.42 -41.02 0.35 0.00 99.65 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 27 G H H 39.74 2.02 18.23 19.39 91.90 50.07 -63.94 -42.01 0.38 0.00 99.62 0.05 0.02 0.23 99.64 0.05 0.00 0.00 0.00 28 L H H 89.86 3.11 18.09 20.80 92.11 49.26 -65.08 -41.10 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 29 C H H 49.25 7.20 15.26 23.49 92.12 50.45 -64.40 -41.06 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 30 A H H 54.49 3.44 16.85 20.54 91.78 51.16 -63.84 -41.34 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 31 V H H 85.58 1.89 17.76 18.68 91.90 49.90 -64.73 -41.39 0.41 0.00 99.59 0.03 0.02 0.29 99.60 0.07 0.00 0.00 0.00 32 M H H 88.01 4.44 16.05 20.96 92.02 50.29 -64.94 -41.11 0.54 0.00 99.46 0.06 0.03 0.38 99.47 0.07 0.00 0.00 0.00 33 W H H 125.66 5.16 15.62 21.30 91.97 50.28 -64.60 -41.51 0.33 0.00 99.67 0.03 0.01 0.22 99.68 0.05 0.00 0.00 0.00 34 F H H 117.59 2.27 17.00 18.78 91.87 50.39 -64.75 -41.72 0.27 0.00 99.73 0.02 0.01 0.20 99.73 0.05 0.00 0.00 0.00 35 W H H 136.09 2.68 16.92 19.45 91.94 49.98 -64.52 -41.75 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 36 V H H 64.72 6.11 15.49 22.46 91.71 49.74 -64.17 -42.23 0.17 0.00 99.83 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 37 L H H 82.39 4.18 16.45 21.10 91.70 50.11 -64.23 -41.33 0.43 0.00 99.57 0.02 0.01 0.35 99.48 0.13 0.00 0.00 0.00 38 Y H H 120.75 2.14 17.53 19.06 91.69 49.56 -64.69 -41.83 0.93 0.00 99.07 0.06 0.06 0.76 98.84 0.28 0.00 0.00 0.00 39 R H H 98.61 4.76 15.72 21.53 92.09 50.36 -64.68 -40.87 1.42 0.00 98.57 0.13 0.11 1.11 98.21 0.43 0.00 0.00 0.00 40 A H H 40.88 7.70 12.53 21.86 91.70 51.82 -64.18 -39.45 1.48 0.00 98.51 0.16 0.12 1.08 97.80 0.84 0.00 0.00 0.00 41 K H H 137.44 2.17 15.53 18.00 93.08 48.31 -68.27 -37.17 2.91 0.01 97.08 0.17 0.16 2.50 96.12 1.04 0.01 0.00 0.00 42 Q H H 125.30 1.69 15.62 16.70 97.92 39.94 -84.14 -34.77 8.28 0.01 91.70 0.22 0.45 7.75 90.56 0.98 0.02 0.00 0.01 43 D H H 76.95 5.05 13.68 19.97 105.16 20.79 -114.06 -2.80 29.29 0.15 70.55 3.47 4.38 21.27 69.54 1.12 0.05 0.05 0.12 44 G H H 24.54 7.13 12.59 21.63 105.33 115.53 -30.35 -116.47 38.72 0.43 60.85 30.41 3.86 6.78 50.59 7.94 0.01 0.20 0.21 45 P H H 58.16 6.09 12.95 20.72 92.98 17.55 -64.97 -35.25 13.58 0.27 86.15 2.28 2.00 8.69 68.78 17.88 0.10 0.15 0.11 46 V H H 81.36 4.48 13.25 19.04 92.91 53.59 -65.76 -39.86 8.35 0.38 91.27 1.19 1.15 5.67 72.64 18.85 0.13 0.26 0.10 47 V H H 93.41 4.14 12.92 18.34 92.81 49.71 -68.49 -34.28 11.89 0.45 87.65 1.17 1.39 8.79 71.01 16.92 0.27 0.29 0.16 48 L C T 102.34 3.52 12.11 16.94 94.39 48.36 -89.12 -1.20 53.29 0.49 46.22 1.25 3.75 46.74 31.75 15.56 0.25 0.24 0.47 49 G C T 53.79 2.44 13.43 16.87 96.01 -105.22 82.21 10.05 98.12 0.19 1.69 3.80 6.50 88.14 0.76 0.61 0.00 0.11 0.09 50 W C C 145.81 4.57 10.83 17.17 103.79 123.53 -90.25 29.24 95.71 3.02 1.28 60.50 27.75 7.43 0.40 0.89 0.00 1.49 1.54 51 R C C 135.80 4.72 12.25 18.80 121.61 86.87 -111.69 140.81 93.82 5.32 0.86 65.01 26.62 2.03 0.34 0.51 0.00 2.18 3.31 52 H C C 89.00 7.64 10.21 19.49 116.54 -126.90 -91.63 136.68 96.68 2.35 0.98 85.83 9.45 1.29 0.38 0.55 0.00 1.10 1.40 53 P C T 90.98 4.13 12.11 17.80 95.10 -122.41 -63.94 -22.07 79.75 1.03 19.22 21.10 14.73 44.11 4.47 14.47 0.00 0.54 0.57 54 W C T 163.02 3.71 10.39 15.56 99.90 60.32 -86.56 1.50 72.94 2.11 24.95 17.18 13.04 42.94 6.17 18.37 0.02 1.03 1.26 55 E C T 116.11 4.54 9.93 16.22 107.45 103.37 -79.08 115.54 67.64 2.67 29.70 22.93 14.57 31.29 7.38 21.05 0.02 1.30 1.44 56 G C T 53.49 2.72 11.47 15.39 102.56 23.04 81.87 0.55 75.69 2.07 22.25 25.63 17.15 33.86 6.44 14.71 0.01 1.01 1.18 57 H C C 118.54 4.51 9.18 15.39 106.77 102.12 -87.70 65.12 77.71 3.10 19.19 45.85 16.10 15.54 6.76 12.35 0.01 1.35 2.03 58 H C C 133.74 3.08 9.73 14.38 107.25 131.53 -88.52 71.36 78.12 2.70 19.18 42.79 16.37 19.16 6.41 12.42 0.01 1.26 1.58 59 D C C 105.62 2.71 9.87 14.07 105.40 68.59 -86.11 30.29 77.24 2.25 20.50 33.29 19.56 25.21 5.50 14.04 0.01 1.00 1.39 60 D C C 104.54 2.97 9.62 14.16 103.72 80.87 -87.56 28.89 77.21 2.25 20.55 38.27 16.77 22.67 5.51 14.37 0.01 1.01 1.39 61 H C C 127.05 3.78 8.74 14.22 106.37 117.95 -89.10 55.15 78.11 2.49 19.40 38.75 15.71 24.24 5.31 13.35 0.01 1.13 1.51 62 G C C 51.17 3.39 9.28 14.31 105.59 119.61 -70.16 23.31 81.98 2.48 15.54 40.10 16.74 25.68 3.68 11.24 0.01 1.13 1.43 63 K C C 151.05 2.19 8.30 12.10 105.08 124.66 -87.97 47.33 84.64 2.80 12.56 39.46 19.85 25.93 2.83 9.13 0.00 1.27 1.53 64 G C C 56.87 2.15 9.25 12.86 105.67 8.99 17.49 17.29 92.53 1.74 5.72 62.42 8.28 22.13 1.30 4.07 0.00 0.95 0.86 65 H C C 141.09 2.98 10.04 14.60 107.42 104.43 -88.30 80.32 99.55 0.28 0.17 98.68 0.60 0.39 0.05 0.06 0.00 0.14 0.08