NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 N 4.7223 8.2827 118.2195 53.1765 39.8800 176.2345 43 S 3.8697 7.9244 113.4780 60.0665 62.7895 174.7741 44 A 4.0187 8.1451 122.8464 54.6167 18.5263 178.6621 45 L 4.0347 7.7523 118.9347 58.1638 42.3249 178.2895 46 D 4.4101 8.3273 118.1369 56.9977 41.1982 178.0106 47 F 4.0184 8.5905 122.0028 61.0726 39.1669 176.9414 48 L 4.1895 7.8895 118.7048 58.0825 41.9762 178.7792 49 K 4.1465 8.0173 117.8462 59.6110 32.3030 178.5086 50 H 4.2184 8.4797 119.0152 59.3109 29.4178 176.7050 51 H 4.5458 7.5236 113.6777 55.6263 29.4408 176.6339 52 L 4.5677 7.7449 121.3171 54.5821 41.1414 174.1993 53 G 4.0102 7.7588 113.7589 44.5123 0.0000 170.7005 54 A 4.1391 8.4187 120.5476 53.7749 19.6827 176.2632 55 A 3.7582 8.2025 121.3673 52.5934 17.8374 177.2026 56 T 3.2047 8.5242 105.8083 62.6952 68.1031 171.0065 57 P 4.2856 0.0000 0.0000 62.7697 31.7280 176.5644 58 E 4.5620 8.4472 122.1145 54.4374 30.9364 173.9917 59 N 5.1332 8.0149 119.6544 49.1855 41.2601 174.0960 60 P 4.2164 0.0000 0.0000 66.1853 31.3027 178.4355 61 E 3.9585 8.2092 117.1955 59.4094 29.5577 178.8134 62 I 3.7984 8.5821 120.3214 64.1920 37.0422 178.2954 63 E 3.9936 7.9857 119.8883 58.9736 29.1968 178.9608 64 L 3.9179 7.8198 120.1827 58.2851 42.1623 178.9509 65 L 4.1435 7.8517 118.8294 58.0570 41.5608 179.8780 66 R 3.9018 8.0435 117.9299 59.1011 29.9109 178.9033 67 L 3.9868 8.1724 120.3447 58.2037 42.1208 178.9173 68 E 4.1513 8.5579 119.0077 59.2442 29.3757 179.0076 69 L 4.0230 8.1852 120.2946 57.5272 42.1133 178.9292 70 A 3.9780 7.9935 121.1522 55.1381 18.3970 179.3838 71 E 3.9474 8.5127 117.5712 59.8252 29.5028 179.3632 72 M 4.1064 8.2387 118.2737 58.3908 32.2869 178.2187 73 K 4.0461 8.0534 119.9364 58.9741 32.3127 178.6512 74 E 3.9290 8.2198 119.9345 59.1672 29.5371 178.7303 75 K 3.9637 8.0306 118.5793 59.6789 32.1613 178.5970 76 Y 3.9380 8.0885 119.6871 60.9056 38.8309 178.1139 77 E 4.0992 8.5109 119.0618 58.8908 29.5576 179.0502 78 A 4.0060 8.0861 121.2421 55.2452 18.4026 179.7605 79 I 4.0220 7.3713 119.6995 63.8952 37.0727 179.0705 80 V 3.6098 7.3957 112.7310 63.9237 31.2095 178.3654 81 E 3.8980 7.9719 118.9621 59.1859 29.3973 178.5230 82 E 3.9214 7.9880 118.6157 59.6893 29.6027 179.2223 83 N 4.3101 8.7586 116.6161 55.8438 38.2426 177.4604 84 K 3.8961 7.4478 120.5046 59.5200 32.6547 178.6766 85 K 4.1006 7.9623 118.6920 59.5048 31.8868 179.3069 86 L 4.0106 8.1978 119.4569 57.7693 41.3523 179.4246 87 K 4.0990 8.0085 116.1750 57.9740 32.2336 179.0696 88 A 4.1037 7.9474 122.1229 55.0696 18.4657 179.8098 89 K 4.1050 7.8288 117.7784 59.0625 32.1262 179.1863 90 L 4.0863 8.3095 120.3739 57.6638 41.9335 178.7151 91 A 4.2127 7.6411 120.3091 55.2572 18.7524 178.7132 92 Q 3.8305 7.8512 116.3960 59.6883 28.5306 178.2511 93 Y 4.3458 7.2791 117.6503 58.4357 38.2740 175.7970 94 E 4.4734 7.8090 125.3267 55.8222 31.3490 173.6340 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 42 N 8.28 4.72 0.00 2.90 3.11 0.00 0.00 5.77 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.92 3.87 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.15 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.75 4.03 0.00 1.75 1.90 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.33 4.41 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.59 4.02 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.89 4.19 0.00 1.83 1.95 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.02 4.15 0.00 1.97 1.86 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.61 7.81 50 H 8.48 4.22 0.00 3.12 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 7.52 4.55 0.00 3.42 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.74 4.57 0.00 1.70 1.62 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.76 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.42 4.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.20 3.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.52 3.20 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 57 P 0.00 4.29 0.00 2.05 2.02 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 58 E 8.45 4.56 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 59 N 8.01 5.13 0.00 2.87 2.84 0.00 0.00 6.10 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.22 0.00 2.17 2.17 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 61 E 8.21 3.96 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 62 I 8.58 3.80 2.10 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.47 0.90 0.00 0.00 63 E 7.99 3.99 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 64 L 7.82 3.92 0.00 1.79 1.82 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.85 4.14 0.00 1.74 1.70 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.04 3.90 0.00 2.10 1.97 0.00 3.34 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 67 L 8.17 3.99 0.00 1.82 1.94 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.56 4.15 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 69 L 8.19 4.02 0.00 1.84 1.80 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.99 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.51 3.95 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 72 M 8.24 4.11 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 73 K 8.05 4.05 0.00 1.99 2.01 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 74 E 8.22 3.93 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 75 K 8.03 3.96 0.00 1.92 1.88 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.64 7.81 76 Y 8.09 3.94 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.51 4.10 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 78 A 8.09 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.37 4.02 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.79 0.00 0.00 80 V 7.40 3.61 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.95 0.00 0.00 81 E 7.97 3.90 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 82 E 7.99 3.92 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 83 N 8.76 4.31 0.00 2.66 2.83 0.00 0.00 6.71 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.45 3.90 0.00 1.86 2.07 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 85 K 7.96 4.10 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.61 7.81 86 L 8.20 4.01 0.00 1.95 1.72 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.01 4.10 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 88 A 7.95 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.83 4.11 0.00 1.81 1.94 0.00 2.03 0.00 0.00 1.98 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.33 7.81 90 L 8.31 4.09 0.00 1.97 1.70 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.64 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.85 3.83 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 93 Y 7.28 4.35 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.81 4.47 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00