NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6183 8.2076 120.5225 54.5415 43.3041 177.3448 2 Y 4.0460 8.0675 117.7031 59.7099 37.5575 177.1630 3 L 3.6171 7.7117 121.7317 57.5479 42.1516 180.5627 4 R 3.9279 7.6697 117.4956 59.0983 29.9079 178.8978 5 E 3.9469 8.4370 118.8908 59.3331 29.2873 179.1599 6 L 3.9781 7.6610 117.6836 57.9714 42.0018 178.7399 7 L 3.9737 7.9118 119.8501 58.5803 41.6665 178.8252 8 K 3.9190 8.9232 119.6199 59.4715 31.7475 177.9318 9 L 4.2781 8.1508 119.3532 56.5197 42.1062 177.8416 10 E 4.2428 8.5968 118.2973 58.6643 30.0992 178.2366 11 L 4.0694 7.7722 118.6646 57.9203 40.1973 179.3965 12 Q 4.1342 7.8365 116.7178 58.6485 28.6341 178.4732 13 L 4.2031 7.4859 121.4961 58.0684 42.1003 178.7895 14 I 3.8088 8.3256 119.1655 64.0265 37.8371 177.8088 15 K 4.0003 7.8671 118.9734 59.0857 31.5395 178.7547 16 Q 4.0598 7.5756 117.0117 58.6520 28.8080 177.7374 17 Y 4.0669 7.8514 117.3310 61.0006 37.3873 178.8782 18 R 3.9314 8.3296 119.1272 59.3071 30.0813 178.6820 19 E 4.0121 8.5475 118.4419 57.7205 29.7294 178.2119 20 A 4.4315 7.6040 120.4372 55.0739 18.8864 179.1536 21 L 4.9736 7.8355 114.6565 55.8403 41.6780 178.0727 22 E 4.0495 7.6432 120.3526 58.4141 29.9172 177.8655 23 Y 4.4115 7.8792 114.3245 58.1028 39.3015 176.0499 24 V 4.4604 7.6424 119.0112 60.9905 34.9062 175.4192 25 K 4.6832 8.5008 126.1860 55.0243 31.9840 176.2399 26 L 4.3627 7.5486 120.3052 54.3848 42.4639 176.1716 27 P 4.2661 0.0000 0.0000 65.8297 31.2481 178.6994 28 V 3.6157 7.8674 117.0637 64.8912 31.0233 177.9812 29 L 3.9397 7.7553 119.3148 57.6648 41.3311 179.0944 30 A 3.9146 8.1557 119.9550 55.4767 17.9292 179.8093 31 K 3.9365 7.8759 116.5879 59.7758 32.2175 179.7793 32 I 3.5126 7.9327 120.3528 63.9936 36.8218 178.4920 33 L 3.6982 7.7991 120.2559 57.6266 41.4120 179.1174 34 E 4.1256 7.5345 119.1902 58.6311 29.2367 178.6229 35 D 4.0495 7.6121 118.9719 57.2899 40.9014 178.1633 36 E 4.1062 7.5885 118.8874 59.6510 29.2771 179.0553 37 E 3.8056 8.2619 118.4263 59.6593 29.6986 179.4496 38 K 3.4584 7.6882 117.8047 60.1125 32.0267 178.9850 39 H 3.7649 8.5250 116.5819 58.6749 28.5135 177.7195 40 I 3.8770 7.5713 121.3915 63.5472 37.0309 178.1993 41 E 4.1015 7.7150 119.6314 59.1512 29.2636 179.1987 42 W 4.5153 7.6707 118.6959 60.0740 29.2184 178.5872 43 L 4.0715 7.8968 118.8892 57.9390 40.7411 179.2672 44 E 3.9716 8.1131 117.9886 59.5171 29.5286 178.9544 45 T 4.0176 7.9509 115.2203 67.2807 68.7549 175.8408 46 I 3.8482 7.8410 120.4713 64.9284 37.5367 177.3457 47 L 4.4111 8.1378 118.1650 53.9792 44.1633 177.3980 48 G 4.2555 8.3970 107.8465 46.2490 0.0000 173.5444 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 1 D 8.21 4.62 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.07 4.05 0.00 3.32 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.71 3.62 0.00 1.27 1.50 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.67 3.93 0.00 1.95 1.96 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.44 3.95 0.00 2.19 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 2.35 2.53 0.00 6 L 7.66 3.98 0.00 1.80 1.77 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.91 3.97 0.00 1.86 1.87 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.92 3.92 0.00 1.86 2.10 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.52 7.81 9 L 8.15 4.28 0.00 2.12 1.71 0.94 0.96 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 10 E 8.60 4.24 0.00 2.12 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 2.46 2.50 0.00 11 L 7.77 4.07 0.00 1.69 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.84 4.13 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 13 L 7.49 4.20 0.00 1.68 1.87 0.92 0.97 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 14 I 8.33 3.81 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.95 0.00 0.00 15 K 7.87 4.00 0.00 1.93 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 Q 7.58 4.06 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 17 Y 7.85 4.07 0.00 3.20 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 18 R 8.33 3.93 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 19 E 8.55 4.01 0.00 2.15 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 2.45 2.34 0.00 20 A 7.60 4.43 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.84 4.97 0.00 1.74 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.64 4.05 0.00 1.70 1.12 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 2.03 2.10 0.00 23 Y 7.88 4.41 0.00 2.96 3.01 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 24 V 7.64 4.46 2.16 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 1.11 0.00 0.00 1.00 0.00 0.00 25 K 8.50 4.68 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 L 7.55 4.36 0.00 1.88 1.82 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.17 2.18 0.00 3.62 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 28 V 7.87 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 29 L 7.76 3.94 0.00 1.84 1.86 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.16 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.88 3.94 0.00 2.02 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.72 7.81 32 I 7.93 3.51 1.34 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 -0.03 0.00 0.00 33 L 7.80 3.70 0.00 1.68 1.60 0.89 0.84 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 34 E 7.53 4.13 0.00 1.99 2.09 0.00 0.00 0.00 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 2.10 0.00 35 D 7.61 4.05 0.00 2.44 2.40 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 36 E 7.59 4.11 0.00 1.99 1.94 0.00 0.00 0.00 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 2.25 0.00 37 E 8.26 3.81 0.00 2.00 1.90 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 2.26 2.30 0.00 38 K 7.69 3.46 0.00 1.69 1.01 0.00 1.62 0.00 0.00 1.41 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.18 1.33 7.81 39 H 8.52 3.76 0.00 3.02 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.57 3.88 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.56 0.88 0.00 0.00 41 E 7.71 4.10 0.00 2.03 2.01 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 2.29 2.40 0.00 42 W 7.67 4.52 0.00 3.50 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 43 L 7.90 4.07 0.00 1.89 1.74 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.11 3.97 0.00 2.25 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 0.00 2.35 2.43 0.00 45 T 7.95 4.02 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 I 7.84 3.85 1.88 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 1.52 0.64 0.90 0.00 0.00 47 L 8.14 4.41 0.00 1.74 1.63 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.40 4.26 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 0.00