# 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 111.05 5.59 10.63 17.68 116.02 -164.97 -96.77 138.00 99.82 0.16 0.03 99.72 0.12 0.04 0.01 0.00 0.00 0.07 0.02 1 A C C 72.93 3.23 9.61 14.48 114.13 -129.83 -88.08 145.79 86.79 3.14 10.06 82.17 1.42 4.24 6.54 2.38 0.00 1.56 1.68 2 K C C 146.18 2.58 8.84 12.99 104.08 -118.04 -77.45 29.24 68.04 3.52 28.44 42.24 13.15 12.58 15.93 12.54 0.02 1.84 1.69 3 A C C 75.76 3.21 8.82 13.49 104.03 57.09 -77.20 23.83 61.48 2.34 36.18 34.81 12.54 14.17 17.07 19.11 0.02 1.24 1.05 4 D C C 102.31 2.79 10.03 14.23 101.46 61.72 -83.79 -4.94 59.32 2.35 38.33 34.62 11.46 13.12 18.95 19.51 0.03 1.19 1.11 5 Y C C 137.87 5.08 8.91 15.58 103.73 84.97 -88.95 13.88 63.86 2.28 33.86 33.66 16.17 14.67 20.50 12.62 0.05 1.02 1.31 6 N C C 102.28 4.10 9.62 15.41 106.45 71.49 -93.06 71.12 75.65 1.83 22.53 43.29 19.73 13.03 14.63 7.38 0.01 0.76 1.17 7 K C C 140.18 2.57 10.41 14.59 112.78 -137.33 -84.30 134.20 84.39 1.84 13.76 55.34 19.41 9.60 8.60 5.05 0.00 0.80 1.20 8 R C C 167.96 2.98 9.18 13.95 110.21 -108.76 -78.87 135.17 89.06 2.59 8.34 65.09 16.74 6.80 5.07 3.23 0.00 1.11 1.97 9 K C C 126.77 3.90 8.99 14.84 118.62 -129.03 -97.52 138.44 95.47 1.96 2.56 64.53 29.46 1.41 1.84 0.68 0.00 0.75 1.33 10 P C C 109.68 1.88 11.83 14.91 112.07 -102.14 -67.74 143.56 94.77 1.86 3.37 86.38 5.85 2.50 2.02 1.19 0.00 0.92 1.14 11 R C C 131.64 7.80 7.63 16.63 114.76 -129.18 -87.36 133.42 93.77 2.54 3.69 80.29 9.75 3.35 2.06 1.57 0.00 1.16 1.80 12 K C C 158.52 1.71 12.50 14.88 107.02 -160.68 -95.22 56.91 92.21 4.34 3.45 72.24 15.20 4.07 2.10 1.42 0.00 1.90 3.07 13 F C C 124.12 5.20 9.51 16.54 123.22 76.55 -117.78 147.30 91.61 5.32 3.06 66.59 20.09 4.05 1.72 1.34 0.00 2.12 4.08 14 G C C 38.39 4.30 12.26 17.89 125.01 -74.03 -96.85 176.10 91.83 3.11 5.06 61.36 23.91 5.90 1.64 3.43 0.00 1.18 2.60 15 K C T 147.74 3.35 12.67 17.54 96.99 -69.18 -66.22 -25.21 62.97 1.08 35.95 5.81 8.95 46.35 2.06 35.62 0.00 0.62 0.58 16 G C T 47.10 4.97 13.40 19.68 94.56 57.67 -69.20 -11.11 64.16 0.72 35.12 5.56 7.83 48.37 2.07 35.38 0.00 0.42 0.37 17 A C C 58.05 7.14 13.94 22.27 96.53 67.93 -87.30 -4.87 63.83 2.64 33.53 37.73 14.37 10.63 3.00 31.62 0.00 1.34 1.31 18 R C C 96.35 9.41 14.58 25.22 118.04 99.49 -88.76 140.60 91.54 6.69 1.77 63.47 25.78 2.16 0.56 1.22 0.00 3.75 3.05 19 R E B 131.56 5.19 19.88 25.98 118.79 -124.29 -89.32 141.86 43.34 56.39 0.27 38.02 1.24 0.05 0.20 0.03 0.00 6.88 53.58 20 C C C 11.32 19.71 10.34 30.55 109.88 -110.88 -67.42 129.43 95.19 4.72 0.09 95.66 0.46 0.05 0.04 0.02 0.00 1.41 2.36 21 I C T 104.60 4.86 18.67 24.70 93.15 -150.98 -71.17 -25.10 99.57 0.18 0.25 1.20 5.67 92.74 0.02 0.20 0.00 0.11 0.07 22 R C T 118.20 7.04 16.02 24.11 100.41 44.79 -84.51 -41.60 99.77 0.08 0.16 0.07 2.35 97.44 0.00 0.09 0.00 0.03 0.02 23 C C T 64.82 5.41 14.85 21.67 103.23 18.08 -110.17 -14.55 99.75 0.08 0.18 0.24 3.50 96.09 0.01 0.10 0.00 0.03 0.02 24 G C C 43.61 5.52 14.01 21.15 95.54 -119.45 82.27 5.40 99.30 0.62 0.08 79.54 17.33 2.31 0.03 0.05 0.00 0.24 0.50 25 Q C C 93.84 4.34 16.13 22.02 118.08 133.14 -80.07 144.66 97.58 2.31 0.11 84.41 12.42 0.53 0.03 0.07 0.00 0.80 1.74 26 Y C B 133.30 8.30 15.41 24.96 116.78 -125.09 -89.39 136.23 49.86 49.50 0.64 37.33 5.46 0.50 0.46 0.15 0.00 5.79 50.30 27 G C C 19.16 11.46 14.58 27.05 135.61 156.73 -146.07 170.83 97.01 1.64 1.35 86.35 9.08 1.67 0.91 0.39 0.00 0.77 0.83 28 P C C 77.69 4.71 19.26 24.20 95.43 -81.05 -68.62 -29.55 62.69 1.87 35.44 30.56 21.69 11.31 29.96 4.75 0.02 0.90 0.80 29 I H H 51.46 10.61 16.59 28.20 94.33 59.21 -68.13 -35.06 32.86 11.49 55.64 14.04 9.33 13.03 42.82 9.21 1.12 7.01 3.43 30 I H H 20.37 18.78 11.81 30.30 94.24 55.40 -68.91 -35.79 14.01 21.03 64.97 7.89 3.12 5.41 48.57 15.04 0.39 15.52 4.07 31 R H H 143.83 4.47 15.54 21.34 92.52 57.15 -65.98 -38.94 11.14 3.54 85.32 6.00 1.64 4.17 48.41 35.99 0.03 3.43 0.34 32 I H G 119.80 2.44 15.64 18.61 93.21 53.37 -68.30 -33.29 15.86 1.54 82.59 1.97 2.06 11.70 38.42 44.11 0.18 1.24 0.32 33 H H G 84.41 9.05 13.64 23.90 97.40 39.23 -97.54 3.25 38.73 0.19 61.09 0.87 2.00 36.69 20.43 39.75 0.03 0.11 0.12 34 G C T 48.75 3.53 19.47 23.38 94.22 -111.60 76.20 16.69 99.76 0.04 0.21 2.17 2.10 95.57 0.06 0.07 0.00 0.02 0.01 35 L C C 23.58 18.29 12.82 31.40 116.41 135.50 -97.85 131.64 89.81 10.00 0.19 85.03 4.24 0.80 0.06 0.14 0.00 6.86 2.88 36 M C C 86.42 8.39 23.09 31.98 102.95 -156.68 -95.36 52.63 87.16 12.74 0.10 50.46 36.71 0.96 0.03 0.09 0.00 10.29 1.47 37 L E B 20.52 18.09 17.92 36.19 133.18 120.06 -125.31 155.06 43.66 56.23 0.11 33.17 10.38 0.30 0.07 0.06 0.00 21.24 34.79 38 C C C 21.39 12.82 20.00 33.95 117.60 -106.72 -71.05 154.54 84.67 15.26 0.07 86.44 0.43 0.02 0.05 0.01 0.00 11.02 2.02 39 R H H 96.88 12.24 17.87 30.55 91.33 -111.26 -58.19 -38.52 1.29 0.00 98.71 0.08 0.10 0.97 98.62 0.22 0.00 0.00 0.00 40 H H H 110.91 3.00 22.60 25.11 91.73 53.50 -64.26 -40.53 0.66 0.00 99.34 0.02 0.04 0.58 99.03 0.32 0.00 0.00 0.00 41 C H H 22.78 11.71 18.25 31.37 92.41 47.92 -66.36 -41.01 0.34 0.00 99.66 0.02 0.02 0.26 99.32 0.37 0.00 0.00 0.00 42 F H H 10.87 22.87 13.94 36.73 91.40 51.52 -63.86 -42.99 0.10 0.00 99.90 0.01 0.00 0.06 99.83 0.09 0.00 0.00 0.00 43 R H H 117.27 7.78 18.72 27.23 91.50 51.67 -64.23 -39.24 0.29 0.00 99.71 0.01 0.01 0.26 99.49 0.23 0.00 0.00 0.00 44 E H H 123.13 1.86 21.09 21.59 92.73 48.29 -70.50 -35.78 1.92 0.00 98.07 0.02 0.03 2.14 97.54 0.26 0.00 0.00 0.00 45 V H H 38.83 11.26 15.94 28.53 99.80 35.67 -100.28 -14.30 9.75 0.01 90.23 0.17 0.51 9.61 89.38 0.31 0.01 0.00 0.01 46 A H H 10.03 19.15 10.55 29.98 91.93 88.74 -59.78 -42.88 13.39 0.18 86.42 4.24 1.65 7.29 44.13 42.50 0.01 0.09 0.09 47 P H G 90.81 3.40 16.11 20.54 91.60 54.00 -63.86 -37.23 5.38 0.05 94.57 0.56 0.36 4.12 35.98 58.92 0.01 0.04 0.01 48 K H G 151.44 1.55 16.82 18.05 91.02 54.16 -67.93 -27.33 6.10 0.06 93.84 0.37 0.36 5.14 37.37 56.66 0.03 0.04 0.02 49 L H G 60.88 11.21 11.97 24.27 94.42 50.23 -91.12 1.07 24.29 0.09 75.62 0.68 1.36 21.73 24.14 51.92 0.06 0.04 0.08 50 G C T 51.97 2.31 18.25 20.23 98.44 -98.73 88.33 8.19 99.44 0.04 0.51 1.66 2.94 94.97 0.27 0.12 0.00 0.02 0.01 51 F C C 58.95 15.20 8.61 23.57 121.12 126.00 -95.81 145.72 87.10 12.14 0.75 70.86 13.62 2.79 0.30 0.47 0.00 8.63 3.33 52 R C C 155.72 2.46 15.93 19.49 121.85 -154.87 -116.44 141.27 77.04 22.18 0.78 68.28 6.99 1.40 0.33 0.49 0.00 17.70 4.81 53 K C C 118.22 8.33 10.84 20.47 113.38 -116.49 -79.77 133.52 78.49 20.66 0.85 71.54 4.39 1.78 0.30 0.56 0.00 17.27 4.16 54 Y C C 140.82 5.83 9.16 16.52 108.20 -139.26 -88.37 116.05 93.53 5.66 0.81 91.04 0.97 1.97 0.23 0.39 0.00 4.24 1.16 55 E C C 149.09 1.87 12.24 15.09 108.84 -134.38 -92.25 106.58 99.83 0.15 0.02 99.71 0.12 0.05 0.00 0.00 0.00 0.09 0.01