# 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 135.86 2.75 8.83 13.46 115.45 -149.22 -92.75 134.14 99.89 0.09 0.02 99.80 0.10 0.03 0.01 0.00 0.00 0.04 0.01 1 K C C 160.82 1.34 7.57 10.41 116.23 -147.62 -97.48 134.37 94.79 3.38 1.83 92.51 0.92 1.83 0.74 0.60 0.00 1.56 1.84 2 R C C 178.80 1.67 6.57 10.01 114.39 -138.42 -93.75 129.51 92.73 4.06 3.21 76.71 10.02 5.72 0.86 2.43 0.00 2.52 1.74 3 T C C 109.24 1.53 7.47 10.44 109.57 -163.11 -97.20 81.40 93.17 3.69 3.15 64.15 20.71 8.16 0.69 2.67 0.00 2.25 1.37 4 Y C C 167.75 2.43 7.21 11.55 115.41 28.93 -99.80 128.27 92.67 4.86 2.47 66.42 21.39 4.56 0.80 1.75 0.00 2.22 2.87 5 Q C C 133.91 1.85 9.33 12.88 117.35 -163.70 -107.01 129.02 97.76 1.71 0.53 85.26 12.20 0.45 0.38 0.15 0.00 0.84 0.72 6 P C C 83.48 5.18 8.42 15.61 114.80 -110.70 -66.27 148.81 93.72 1.72 4.56 86.31 4.42 3.15 3.31 1.04 0.00 0.80 0.96 7 S C C 63.78 3.61 10.10 15.42 115.38 -118.70 -82.14 152.55 89.94 1.68 8.38 81.29 4.93 3.31 7.43 1.28 0.00 0.62 1.15 8 R H H 169.08 2.21 10.66 14.29 94.22 -129.80 -68.57 -25.97 42.84 1.00 56.16 23.17 14.73 5.93 53.41 1.90 0.02 0.34 0.49 9 V H H 93.42 2.25 11.57 14.66 93.75 61.05 -67.07 -39.24 19.28 0.43 80.29 10.58 4.58 4.78 77.97 1.73 0.02 0.20 0.14 10 K H H 108.69 2.53 12.89 16.23 93.42 51.76 -66.20 -39.84 10.75 0.40 88.85 6.56 1.84 3.16 85.93 2.17 0.01 0.24 0.10 11 R H H 97.55 5.36 11.57 18.81 92.82 51.82 -65.15 -40.22 6.33 0.28 93.39 3.42 1.09 2.36 90.83 2.05 0.01 0.17 0.06 12 N H H 79.99 5.24 12.31 19.17 92.39 51.33 -65.72 -38.46 5.11 0.15 94.74 2.08 0.81 2.44 92.50 2.02 0.02 0.09 0.04 13 R H H 153.10 2.11 14.11 16.65 94.23 47.33 -72.24 -35.83 6.96 0.14 92.91 1.69 0.98 4.37 90.54 2.25 0.06 0.07 0.05 14 K H H 130.85 2.52 15.09 17.97 97.32 43.76 -78.97 -36.60 13.52 0.12 86.36 1.54 1.62 10.31 84.39 1.96 0.08 0.05 0.06 15 F H H 104.26 5.53 13.33 20.31 102.17 28.22 -107.29 -10.17 31.40 0.34 68.26 4.18 6.65 21.32 65.92 1.48 0.12 0.11 0.23 16 G C C 21.37 6.65 14.85 23.25 122.46 -132.49 73.39 172.13 70.86 0.79 28.36 50.19 13.69 5.56 27.97 1.83 0.00 0.24 0.51 17 F H H 102.33 8.49 13.10 22.65 93.13 -77.71 -63.72 -37.08 9.32 0.10 90.58 2.16 2.01 5.47 86.67 3.53 0.08 0.04 0.05 18 R H H 150.13 2.04 15.87 18.19 92.01 52.82 -64.44 -40.35 4.21 0.04 95.75 0.71 0.53 2.80 91.09 4.81 0.02 0.02 0.01 19 A H H 49.45 3.75 15.51 20.37 92.17 50.24 -65.63 -39.57 2.87 0.03 97.11 0.46 0.30 1.86 89.83 7.52 0.01 0.02 0.01 20 R H H 75.53 9.46 12.31 23.20 92.30 51.02 -69.28 -31.53 5.22 0.03 94.75 0.55 0.47 3.84 87.10 7.99 0.02 0.02 0.01 21 M H H 86.61 7.29 11.78 20.70 93.72 58.74 -75.49 -16.10 35.63 0.13 64.24 2.43 1.99 30.57 56.90 7.89 0.05 0.06 0.09 22 K C T 159.17 1.03 15.22 15.33 93.21 66.55 -79.91 -14.67 75.40 0.29 24.31 5.99 8.26 60.86 19.78 4.71 0.03 0.11 0.27 23 T C S 60.97 4.64 9.92 16.77 123.47 77.79 -97.09 155.91 97.29 0.93 1.78 8.32 87.94 0.85 1.61 0.10 0.00 0.13 1.04 24 K H H 165.14 0.88 13.76 14.04 92.46 -111.04 -60.23 -36.66 12.76 0.02 87.22 0.48 1.89 10.56 85.78 1.26 0.03 0.00 0.01 25 G H H 42.58 2.48 13.94 17.07 92.36 49.57 -64.24 -36.66 12.28 0.01 87.70 0.51 0.85 10.82 86.36 1.44 0.01 0.00 0.01 26 G H H 16.63 9.55 11.09 22.59 92.04 53.66 -63.93 -40.29 3.89 0.01 96.10 0.82 0.41 2.33 95.18 1.25 0.00 0.00 0.00 27 R H H 128.05 3.74 15.51 20.38 91.62 52.27 -64.11 -40.62 1.43 0.01 98.56 0.45 0.14 0.69 98.35 0.36 0.00 0.00 0.00 28 L H H 98.24 1.57 18.35 18.42 91.99 50.01 -64.49 -41.59 1.15 0.01 98.83 0.37 0.14 0.55 98.74 0.18 0.00 0.01 0.00 29 I H H 69.47 4.75 16.48 22.33 91.78 49.34 -63.93 -43.15 0.49 0.01 99.49 0.22 0.06 0.19 99.46 0.07 0.00 0.01 0.00 30 L H H 50.02 8.91 13.84 24.40 91.71 50.02 -63.68 -42.02 0.16 0.00 99.84 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 31 S H H 57.82 2.34 16.90 19.12 91.57 50.86 -63.48 -41.08 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 32 R H H 132.96 1.56 16.37 17.01 92.05 49.93 -65.07 -40.83 0.40 0.00 99.60 0.04 0.02 0.26 99.60 0.08 0.00 0.00 0.00 33 R H H 89.91 6.11 12.18 19.86 92.17 50.72 -65.31 -41.14 0.92 0.00 99.08 0.16 0.07 0.56 99.00 0.20 0.00 0.00 0.00 34 R H H 131.45 3.83 11.99 17.38 91.91 51.13 -64.06 -40.00 2.43 0.01 97.56 0.33 0.15 1.67 97.15 0.69 0.00 0.00 0.00 35 A H H 89.66 0.81 12.38 12.39 91.04 53.05 -66.39 -29.86 10.60 0.03 89.37 0.47 0.47 9.58 88.63 0.80 0.02 0.01 0.01 36 K C T 144.34 1.36 11.01 12.63 94.20 51.29 -85.94 -3.26 75.52 0.05 24.43 0.64 1.72 71.73 24.97 0.88 0.00 0.01 0.04 37 G C T 56.67 1.79 10.74 13.49 96.97 -107.23 81.38 10.97 97.21 0.07 2.73 3.73 4.19 89.41 2.23 0.37 0.00 0.03 0.04 38 R C C 146.89 3.18 9.34 14.13 103.21 123.91 -90.96 23.56 94.16 1.32 4.53 78.88 10.31 5.07 2.17 2.18 0.00 0.67 0.72 39 M C C 121.32 4.13 9.39 15.36 120.57 76.11 -113.82 142.26 88.94 3.50 7.57 63.49 17.22 8.07 3.30 4.49 0.00 2.51 0.91 40 K C C 157.20 1.40 12.00 14.16 117.43 -150.24 -102.54 133.28 83.42 9.02 7.56 65.02 11.35 6.63 3.33 4.51 0.00 7.50 1.65 41 L C C 110.05 5.68 7.66 15.18 116.56 -144.22 -97.78 132.23 78.28 16.01 5.71 66.84 7.16 3.57 3.05 2.81 0.00 13.52 3.04 42 T C C 95.31 2.18 10.08 13.88 123.58 -170.66 -118.16 145.17 78.25 17.85 3.90 67.12 7.49 2.68 2.59 1.53 0.00 15.34 3.25 43 V C C 118.93 2.39 7.98 12.27 112.10 -141.96 -96.59 122.37 76.78 14.06 9.16 55.54 14.25 6.61 5.85 3.61 0.02 11.42 2.70 44 S C C 80.71 2.43 8.10 12.29 117.98 -155.37 -101.71 141.03 81.10 6.02 12.88 52.88 17.95 10.55 6.78 5.99 0.01 4.28 1.57 45 D C C 116.30 1.83 7.55 10.98 110.00 -148.93 -96.37 112.54 75.89 3.18 20.93 43.84 18.92 13.66 9.53 10.97 0.01 1.85 1.23 46 E C C 139.88 2.18 6.77 10.76 113.41 123.00 -92.35 128.00 71.71 3.11 25.18 40.40 16.95 15.13 10.34 14.16 0.01 1.79 1.21 47 K C C 160.67 1.38 6.67 9.57 113.28 -149.66 -93.41 127.51 72.90 4.58 22.52 46.88 13.30 13.21 9.38 12.72 0.01 2.88 1.60 48 K C C 159.88 1.52 6.40 9.63 113.59 -145.78 -92.22 128.13 83.54 3.15 13.30 75.42 2.00 7.85 6.92 4.55 0.00 2.04 1.23 49 K C C 160.92 1.61 8.60 11.75 111.26 -136.54 -87.55 124.99 99.80 0.09 0.11 99.59 0.14 0.14 0.06 0.01 0.00 0.05 0.02