NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 A 4.3493 8.1076 123.5850 52.4374 20.9457 178.3457 47 T 4.0176 7.5776 105.9547 61.3130 70.1398 173.9666 48 E 3.9339 8.4388 121.4483 59.1459 30.3277 179.6884 49 L 3.9586 7.3683 121.0157 58.1762 42.1015 178.9361 50 V 3.4956 7.3523 117.4401 66.4569 31.2621 177.7886 51 N 4.3333 8.0113 115.3418 56.1273 38.3422 177.5008 52 K 3.9825 7.7234 120.1537 59.2400 32.1050 179.4731 53 I 3.0570 7.5659 120.0614 64.2662 36.8941 178.3605 54 S 4.1001 7.8106 115.8911 61.7863 62.6258 176.7671 55 E 3.9646 8.2919 120.9030 59.5395 29.1138 179.0644 56 N 4.3927 8.3641 116.5403 56.9021 38.7359 176.9878 57 C 4.3973 8.9606 118.0069 59.5546 34.8093 175.9499 58 F 4.0221 8.6205 122.8784 61.4685 38.8139 176.9646 59 E 4.0511 8.4268 116.8774 59.1360 29.3512 178.8599 60 K 4.3074 7.7431 116.4042 57.4488 32.6905 177.2628 61 C 4.8179 8.0076 114.7700 55.6208 42.0046 173.7663 62 L 4.8223 7.1367 119.6371 52.8851 44.4041 176.0137 63 T 4.4064 7.9448 118.8032 61.0689 71.8569 173.2880 64 S 2.9633 7.6762 119.9756 57.5711 63.1162 172.9200 65 P 4.2843 0.0000 0.0000 63.1058 30.8300 175.4913 66 Y 3.6498 6.9440 114.8006 59.3620 35.7711 172.1923 67 A 4.1160 8.1711 122.2982 54.6406 19.0204 178.3706 68 T 4.5845 7.3795 104.9906 59.5191 71.0334 174.5431 69 R 4.0415 8.4531 122.9219 56.4398 31.1685 177.4344 70 N 4.8258 8.4127 125.9543 52.7417 38.4348 175.4198 71 D 4.4016 7.8982 121.3847 57.4925 41.2787 178.3578 72 A 4.0124 8.0409 120.8842 55.4474 18.2727 180.0566 73 C 4.2662 8.2827 116.4631 59.6805 39.1200 175.9027 74 I 3.6719 7.5909 121.0348 64.4051 36.7490 177.7966 75 D 4.3630 8.1491 119.6636 57.5071 40.6041 178.9222 76 Q 3.9788 7.8227 118.2524 59.2203 28.7066 177.9848 77 C 4.1947 8.3996 119.5533 59.6424 43.9141 175.2351 78 L 3.9208 8.5811 121.7834 58.1846 41.7070 178.5274 79 A 4.0122 8.1366 120.6006 55.4011 18.4317 179.4316 80 K 3.8861 8.8365 118.3185 59.8443 32.1885 178.3082 81 Y 3.9188 8.3449 120.0611 61.0500 38.8748 177.9587 82 M 4.3008 8.4131 119.6184 58.3297 32.0343 178.9522 83 R 4.0356 8.1156 118.4521 59.3409 30.1743 179.2754 84 S 4.1161 7.9204 114.6177 61.0692 62.7124 176.4034 85 W 3.9186 8.2423 131.1033 60.5512 30.5149 177.6686 86 N 4.5537 8.3988 116.1792 56.6113 38.0617 177.5981 87 V 3.6361 7.6953 119.0489 65.9025 31.5525 178.2543 88 I 3.6775 7.7073 119.9227 64.2956 36.9282 178.5011 89 S 3.9858 7.8816 115.2712 61.0933 62.6110 176.5347 90 K 3.8703 8.1217 122.9096 59.2438 31.8135 178.5485 91 A 3.9604 7.7746 119.5857 55.3127 18.6103 178.6337 92 Y 4.2003 8.5596 118.1166 61.1433 38.4191 178.5401 93 I 3.5475 8.0076 120.7886 64.3109 36.9902 178.4773 94 S 4.2185 7.8720 114.6157 60.5408 62.3021 176.4396 95 R 4.1713 7.5568 121.5505 58.5832 30.1023 178.2205 96 I 3.7942 6.5787 105.7336 60.8431 37.4717 175.8558 97 Q 3.7232 7.4077 123.4584 56.9684 30.3310 173.3012 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 46 A 8.11 4.35 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 47 T 7.58 4.02 4.22 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 1.19 0.00 0.00 48 E 8.44 3.93 0.00 2.26 2.26 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 2.38 2.45 0.00 49 L 7.37 3.96 0.00 1.91 1.89 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.35 3.50 2.22 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 0.92 0.00 0.00 0.87 0.00 0.00 51 N 8.01 4.33 0.00 2.90 2.80 0.00 0.00 7.13 8.01 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 52 K 7.72 3.98 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.49 7.81 53 I 7.57 3.06 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.48 0.60 0.00 0.00 54 S 7.81 4.10 0.00 4.02 3.88 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 E 8.29 3.96 0.00 2.17 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 2.26 2.52 0.00 56 N 8.36 4.39 0.00 3.01 3.04 0.00 0.00 7.14 8.51 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 57 C 8.96 4.40 0.00 3.04 3.16 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 58 F 8.62 4.02 0.00 3.27 3.23 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 0.00 59 E 8.43 4.05 0.00 2.20 2.08 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 2.53 2.80 0.00 60 K 7.74 4.31 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.79 7.81 61 C 8.01 4.82 0.00 3.03 3.08 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 62 L 7.14 4.82 0.00 1.04 1.43 0.83 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.94 4.41 4.12 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 1.06 0.00 0.00 64 S 7.68 2.96 0.00 3.73 3.51 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 65 P 0.00 4.28 0.00 2.17 2.15 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 66 Y 6.94 3.65 0.00 3.17 3.11 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 0.00 0.00 0.00 67 A 8.17 4.12 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 68 T 7.38 4.58 4.24 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 1.21 0.00 0.00 69 R 8.45 4.04 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 70 N 8.41 4.83 0.00 2.77 2.70 0.00 0.00 7.18 8.49 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 D 7.90 4.40 0.00 2.76 2.71 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 72 A 8.04 4.01 1.32 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 73 C 8.28 4.27 0.00 3.15 3.27 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 74 I 7.59 3.67 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.80 0.92 0.00 0.00 75 D 8.15 4.36 0.00 2.86 2.73 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 76 Q 7.82 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 77 C 8.40 4.19 0.00 3.13 3.31 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 78 L 8.58 3.92 0.00 1.74 1.93 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.14 4.01 1.43 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 80 K 8.84 3.89 0.00 2.06 1.99 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 Y 8.34 3.92 0.00 3.36 3.11 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 0.00 0.00 0.00 82 M 8.41 4.30 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.02 0.00 83 R 8.12 4.04 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 84 S 7.92 4.12 0.00 3.86 3.74 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 85 W 8.24 3.92 0.00 3.56 3.38 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 86 N 8.40 4.55 0.00 3.13 2.96 0.00 0.00 6.72 7.42 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 87 V 7.70 3.64 2.21 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 1.01 0.00 0.00 1.03 0.00 0.00 88 I 7.71 3.68 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.43 0.67 0.00 0.00 89 S 7.88 3.99 0.00 3.72 3.55 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 90 K 8.12 3.87 0.00 1.88 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 A 7.77 3.96 1.38 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 Y 8.56 4.20 0.00 2.96 3.08 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 93 I 8.01 3.55 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.87 0.00 0.00 94 S 7.87 4.22 0.00 3.96 3.90 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 95 R 7.56 4.17 0.00 2.00 1.81 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 96 I 6.58 3.79 1.69 0.00 0.00 0.46 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 0.34 0.49 0.00 0.00 97 Q 7.41 3.72 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00