# 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 37.54 17.76 16.94 34.34 123.56 -163.66 -111.74 138.59 98.05 1.95 0.00 97.83 0.17 0.01 0.00 0.00 0.00 1.98 0.01 1 Q E E 76.03 8.71 23.39 32.48 117.49 -143.38 -99.90 129.22 9.69 90.30 0.00 9.47 0.11 0.01 0.00 0.00 0.00 90.30 0.12 2 V E E 8.10 23.57 16.44 40.35 123.65 -164.74 -117.37 134.38 0.96 99.04 0.00 0.93 0.01 0.00 0.00 0.00 0.00 99.04 0.02 3 I E E 33.44 10.60 25.54 37.50 118.24 -160.39 -111.90 127.29 0.36 99.64 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.63 0.02 4 L E E 10.03 22.32 16.66 39.60 111.64 -130.09 -78.59 124.34 2.85 97.14 0.01 2.72 0.07 0.00 0.00 0.00 0.00 97.03 0.18 5 L C C 57.15 9.94 21.31 32.09 99.79 -177.24 -96.01 -25.14 69.27 28.92 1.82 36.53 31.19 1.42 0.15 1.58 0.00 28.56 0.57 6 D C S 68.87 4.64 22.95 27.69 136.59 10.69 -145.43 162.05 82.03 13.64 4.33 7.19 68.45 6.78 0.37 3.49 0.02 12.59 1.11 7 K C C 124.09 7.20 17.56 26.01 112.31 -77.94 -75.34 130.98 77.51 18.11 4.39 60.72 11.71 4.70 0.82 3.74 0.00 15.49 2.82 8 V E B 30.43 15.54 10.78 26.81 118.53 -166.48 -117.29 124.99 35.18 62.56 2.26 28.04 4.02 0.63 1.62 0.60 0.02 12.67 52.40 9 A C T 82.09 3.04 15.39 19.26 101.34 -109.82 -60.11 122.71 68.64 1.45 29.91 2.36 6.46 59.95 3.12 26.37 0.05 0.80 0.90 10 N C T 134.77 1.46 16.87 18.07 95.07 17.78 58.74 0.90 70.52 0.50 28.98 1.41 5.17 63.54 2.78 26.48 0.01 0.28 0.33 11 L C T 46.80 15.11 12.28 27.16 105.15 54.55 -104.09 -23.61 69.69 1.20 29.11 2.23 6.27 60.99 3.41 25.65 0.02 0.68 0.75 12 G C T 21.90 7.72 17.45 26.62 136.20 -89.87 129.45 -173.65 78.28 18.90 2.82 28.24 14.46 36.08 0.87 1.71 0.02 9.48 9.15 13 S C C 60.79 4.05 20.32 24.53 128.64 -50.49 -111.50 160.45 84.45 15.05 0.49 75.79 7.11 1.27 0.18 0.33 0.00 7.77 7.53 14 L C T 86.55 11.64 13.11 25.25 110.08 -85.09 -60.92 135.10 94.25 5.36 0.39 0.48 2.98 92.31 0.03 0.20 0.00 3.03 0.97 15 G C T 48.14 3.76 17.97 22.60 95.35 20.99 87.33 -4.98 99.09 0.78 0.13 0.73 3.94 94.46 0.00 0.14 0.00 0.68 0.04 16 D C C 64.76 7.11 16.31 25.04 117.73 128.23 -76.93 146.69 95.38 4.59 0.03 91.31 3.78 0.09 0.00 0.03 0.00 4.63 0.15 17 Q E E 103.65 8.84 16.30 26.59 120.35 -135.21 -103.33 135.05 1.23 98.77 0.00 1.23 0.03 0.00 0.00 0.00 0.00 97.84 0.89 18 V E E 28.30 15.81 14.55 31.16 128.34 -175.22 -130.39 144.45 0.39 99.61 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.61 0.01 19 N E E 107.62 3.61 22.06 26.39 111.93 -127.59 -88.51 124.79 3.53 96.46 0.01 3.13 0.15 0.01 0.00 0.00 0.00 96.64 0.06 20 V E E 17.24 21.39 10.18 30.64 126.36 -175.15 -120.95 144.76 46.58 53.25 0.17 46.00 0.79 0.10 0.07 0.06 0.00 52.16 0.83 21 K C C 121.67 2.31 21.48 22.56 115.32 -109.43 -70.36 149.97 89.04 8.80 2.16 86.75 1.83 0.53 2.08 0.22 0.00 7.97 0.63 22 A H H 62.60 10.07 13.19 24.14 92.58 -108.65 -58.45 -38.02 27.02 0.13 72.85 1.23 2.68 23.63 69.61 2.50 0.21 0.05 0.09 23 G H H 40.72 2.27 18.30 20.17 91.74 51.12 -62.61 -39.03 19.06 0.12 80.82 1.60 1.81 16.11 77.51 2.71 0.14 0.05 0.07 24 Y H H 75.52 8.22 17.02 26.55 92.49 51.17 -66.78 -40.61 3.95 0.19 95.87 1.20 0.79 2.43 93.03 2.28 0.12 0.09 0.07 25 A H H 7.14 21.85 12.09 33.61 91.71 51.95 -63.78 -42.91 2.59 0.27 97.14 0.63 0.40 1.90 94.78 1.72 0.34 0.15 0.08 26 R H H 126.02 6.99 18.04 25.93 92.48 47.01 -68.03 -37.20 2.76 0.19 97.05 0.28 0.30 2.49 94.72 1.57 0.49 0.09 0.06 27 N H H 106.34 1.87 20.02 20.82 99.19 34.11 -88.86 -32.83 8.87 0.13 91.00 0.21 0.55 9.06 87.71 1.23 1.11 0.03 0.10 28 F C T 84.10 8.06 18.54 27.55 108.31 23.20 -108.21 -39.13 58.34 0.31 41.36 0.39 3.11 53.63 40.13 1.67 0.65 0.08 0.34 29 L C T 9.34 20.78 15.34 36.47 103.01 29.50 -92.86 -42.99 76.12 2.60 21.28 1.42 13.26 60.43 18.53 2.12 0.99 0.74 2.52 30 V C S 27.56 16.15 14.80 30.93 96.67 43.62 -74.41 -42.09 71.47 5.31 23.22 17.14 30.08 24.67 10.76 11.27 0.41 2.66 3.02 31 P C T 89.34 3.40 17.17 21.26 91.70 54.66 -64.94 -27.60 63.09 4.00 32.91 8.16 10.21 43.84 8.22 24.62 0.29 2.25 2.39 32 Q C T 120.25 3.03 17.11 20.62 94.02 47.28 -87.61 1.26 73.58 0.78 25.65 2.06 7.45 64.41 4.52 20.55 0.03 0.43 0.57 33 G C T 35.26 9.55 15.74 26.06 97.11 -104.12 84.28 9.35 86.74 1.74 11.52 6.27 19.03 61.18 4.29 7.54 0.03 1.14 0.52 34 K C C 91.30 8.29 20.61 29.40 102.76 123.08 -91.21 9.92 71.84 27.65 0.51 50.07 15.83 5.09 0.16 0.38 0.00 26.54 1.93 35 A E E 11.59 23.04 13.06 35.46 130.45 64.33 -124.06 148.53 16.55 83.38 0.07 14.78 1.67 0.14 0.03 0.05 0.00 80.82 2.52 36 V E E 61.17 7.78 23.97 32.42 127.88 -164.72 -128.72 140.86 9.70 90.29 0.01 8.98 0.50 0.02 0.00 0.01 0.00 90.05 0.44 37 P E E 64.67 11.56 17.29 29.17 114.61 -106.77 -66.02 144.53 14.17 85.65 0.18 12.91 0.99 0.21 0.06 0.12 0.00 84.09 1.63 38 A C C 42.76 14.29 11.06 25.16 105.34 -117.84 -75.00 119.88 87.82 10.93 1.25 59.70 19.18 8.28 0.17 1.31 0.00 10.45 0.90 39 T C C 94.94 3.46 12.77 17.76 114.36 56.74 -96.54 130.01 92.75 6.21 1.04 79.96 5.82 6.77 0.16 0.99 0.00 5.16 1.14 40 K C C 155.83 2.44 13.76 17.53 105.70 -102.79 -80.56 89.89 99.87 0.12 0.01 99.77 0.11 0.03 0.00 0.00 0.00 0.07 0.01