NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3847 0.0000 0.0000 61.3380 31.8053 175.7142 3 P 4.0236 0.0000 0.0000 62.4371 31.9615 174.7304 4 R 4.3905 9.1674 122.2450 54.5977 32.3836 175.6626 5 P 4.2557 0.0000 0.0000 65.6845 31.8970 178.7660 6 L 3.9192 7.8839 117.7886 57.6569 41.5889 178.8924 7 D 4.4743 7.9151 118.6605 56.6607 40.4482 178.5245 8 V 3.7233 7.3398 118.0977 65.0904 31.7788 177.6659 9 L 3.9609 7.3525 118.6751 57.4980 41.2436 178.2987 10 N 4.5477 7.8366 116.9807 56.7885 38.6553 176.2912 11 R 4.1425 7.7992 117.5396 57.7406 30.5421 177.2450 12 S 4.6198 8.1531 114.0109 57.5393 63.4009 173.7338 13 L 4.1980 6.9089 122.4480 56.6484 41.7566 177.4286 14 K 4.0881 9.3694 121.8039 56.6843 30.3325 175.9485 15 S 5.0025 7.6702 114.4498 55.5575 67.0793 171.8306 16 P 4.9132 0.0000 0.0000 63.4838 32.4654 175.5518 17 V 5.0536 9.1014 115.0802 60.0840 36.9913 173.7607 18 I 4.8877 8.8480 123.4451 59.6514 39.8419 174.9371 19 V 4.6992 9.2492 127.0395 61.0275 34.2931 173.9971 20 R 4.3854 8.1966 129.2984 55.1876 31.1812 175.4794 21 L 5.0426 8.3228 126.0907 52.5515 44.7006 176.2386 22 K 4.0072 8.6074 120.2536 57.5605 32.5016 178.1057 23 G 3.7938 8.7115 111.7786 45.4163 0.0000 174.4305 24 G 3.8809 8.3099 106.9287 44.9068 0.0000 173.2824 25 R 4.7465 7.4662 120.0861 55.5295 32.0620 174.5775 26 E 5.1126 8.8962 124.3640 54.8025 33.8448 173.7194 27 F 5.1870 9.4570 122.9636 55.6949 43.3419 174.1348 28 R 4.9451 8.4729 121.1414 54.8676 33.4363 175.3005 29 G 3.8681 8.0679 108.8085 46.4995 0.0000 170.9987 30 T 5.1102 8.0179 117.2571 61.5006 71.2467 173.8482 31 L 4.5941 8.5664 129.2939 55.0584 42.9144 176.2323 32 D 4.8970 8.8944 124.8948 53.1664 42.6550 175.3074 33 G 4.2207 7.7668 104.2221 47.2220 0.0000 171.5830 34 Y 5.9634 7.9889 117.3556 57.6890 40.8133 172.4666 35 D 4.6241 8.1659 117.4806 52.1478 42.5346 175.5154 36 I 3.6801 8.4695 118.6710 65.4508 37.1357 177.3783 37 H 4.3558 7.9223 115.1034 56.7169 28.2804 175.4609 38 M 3.5512 8.2188 118.9639 56.4921 31.0656 175.5430 39 N 4.8613 8.6596 114.2687 52.7804 39.9726 174.4562 40 L 5.3787 8.8309 121.8085 52.9615 46.1485 175.5547 41 V 4.8864 8.3803 119.4895 61.2476 34.7410 174.2088 42 L 5.2738 9.0114 127.5206 53.0095 45.1136 175.6720 43 L 4.8375 8.9673 122.6358 53.3895 44.6653 175.2479 44 D 4.4593 8.5835 115.7776 55.2572 39.5691 172.0508 45 A 5.2344 8.8340 123.9484 49.5316 23.6688 175.0311 46 E 5.0656 9.3482 117.0127 54.4806 33.2823 174.3596 47 E 3.7558 8.9968 123.6802 54.5086 31.4528 174.3998 48 I 4.7495 8.3825 128.2796 59.6117 39.6471 174.6902 49 Q 4.3910 8.9749 127.4349 54.0476 31.1779 174.6301 50 N 4.0910 8.9371 126.5514 54.4563 35.9457 175.4941 51 G 3.9073 8.0830 101.7999 45.7460 0.0000 171.8479 52 E 4.5917 7.5583 119.5372 53.5810 32.2464 175.2628 53 V 4.0441 8.3269 125.7000 63.0991 32.0861 175.8637 54 V 4.3284 8.5708 118.6734 60.1670 33.5633 175.5986 55 R 4.6005 6.7027 121.4415 55.9402 32.9219 172.6137 56 K 5.2000 8.6957 123.5527 54.7927 35.1335 175.9360 57 V 4.5338 8.9789 117.1663 59.5520 35.7904 176.9102 58 G 3.7881 8.9023 110.7401 48.9492 0.0000 173.4385 59 S 5.4211 7.7893 113.5245 57.0815 65.9645 174.3671 60 V 4.4486 8.8734 121.8763 60.1076 35.0195 173.9402 61 V 4.6181 8.3659 123.4463 61.4474 33.0137 174.4569 62 I 4.3846 8.8841 130.3333 59.3652 39.7473 175.6743 63 R 4.4490 8.5111 126.1160 55.6709 30.7867 177.8786 64 G 3.9973 10.3519 113.0121 47.3896 0.0000 174.8477 65 D 4.2875 8.2727 118.7264 57.1451 41.2071 176.9622 66 T 4.3506 7.8708 106.6859 61.1992 69.2812 174.0182 67 V 4.1578 7.6428 123.4385 62.8004 32.1871 175.3265 68 V 4.1774 8.9337 128.8230 64.6294 31.7551 175.5997 69 F 5.0916 7.3001 113.3264 55.7306 41.3029 172.3470 70 V 5.0850 8.5564 119.3170 61.2856 34.2429 174.7382 71 S 4.9090 9.1871 121.8391 55.6770 66.4531 171.7338 72 P 4.8001 0.0000 0.0000 62.7617 32.0280 176.1305 73 A 4.2036 8.6392 124.5583 52.6160 18.4284 177.3392 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 2 P 0.00 4.38 0.00 2.06 2.11 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 P 0.00 4.02 0.00 2.11 2.02 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 4 R 9.17 4.39 0.00 2.11 1.84 0.00 3.15 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 5 P 0.00 4.26 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 6 L 7.88 3.92 0.00 1.68 1.76 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.92 4.47 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.34 3.72 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 9 L 7.35 3.96 0.00 0.99 0.76 0.80 0.46 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 10 N 7.84 4.55 0.00 2.95 3.05 0.00 0.00 6.89 6.93 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 11 R 7.80 4.14 0.00 1.97 1.91 0.00 3.29 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 S 8.15 4.62 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 6.91 4.20 0.00 1.69 1.69 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.37 4.09 0.00 1.90 2.01 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.42 7.81 15 S 7.67 5.00 0.00 3.85 3.71 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 16 P 0.00 4.91 0.00 2.13 2.20 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 17 V 9.10 5.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 18 I 8.85 4.89 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 0.98 0.00 0.00 19 V 9.25 4.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 20 R 8.20 4.39 0.00 0.67 0.66 0.00 2.95 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 21 L 8.32 5.04 0.00 1.67 1.68 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.61 4.01 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.55 7.81 23 G 8.71 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 0.00 0.00 0.00 25 R 7.47 4.75 0.00 1.98 1.80 0.00 3.27 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 26 E 8.90 5.11 0.00 1.95 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 27 F 9.46 5.19 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.47 4.95 0.00 1.75 1.81 0.00 3.16 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 29 G 8.07 3.87 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 0.00 0.00 0.00 30 T 8.02 5.11 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 1.23 0.00 0.00 31 L 8.57 4.59 0.00 1.84 1.57 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.89 4.90 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.77 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 0.00 0.00 0.00 0.00 34 Y 7.99 5.96 0.00 2.95 2.94 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 0.00 0.00 0.00 35 D 8.17 4.62 0.00 2.77 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 36 I 8.47 3.68 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.90 0.00 0.00 37 H 7.92 4.36 0.00 3.29 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.22 3.55 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 39 N 8.66 4.86 0.00 2.99 2.79 0.00 0.00 6.83 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.83 5.38 0.00 1.49 1.51 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.38 4.89 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 1.03 0.00 0.00 0.91 0.00 0.00 42 L 9.01 5.27 0.00 1.52 1.51 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.97 4.84 0.00 1.55 1.56 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.58 4.46 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.83 5.23 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 46 E 9.35 5.07 0.00 1.91 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 2.31 2.15 0.00 47 E 9.00 3.76 0.00 1.24 1.55 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 1.85 1.48 0.00 48 I 8.38 4.75 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.29 0.87 0.00 0.00 49 Q 8.97 4.39 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.35 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 50 N 8.94 4.09 0.00 2.93 2.84 0.00 0.00 6.99 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.56 4.59 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 53 V 8.33 4.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 54 V 8.57 4.33 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 0.73 0.00 0.00 0.94 0.00 0.00 55 R 6.70 4.60 0.00 1.88 1.72 0.00 3.15 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 56 K 8.70 5.20 0.00 1.64 1.68 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.41 7.81 57 V 8.98 4.53 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.11 0.00 0.00 58 G 8.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 5.42 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 4.45 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 0.54 0.00 0.00 0.62 0.00 0.00 61 V 8.37 4.62 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 62 I 8.88 4.38 1.73 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.13 0.81 0.00 0.00 63 R 8.51 4.45 0.00 1.82 1.85 0.00 3.29 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 64 G 10.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.29 0.00 2.64 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 66 T 7.87 4.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 V 7.64 4.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 68 V 8.93 4.18 2.07 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 1.01 0.00 0.00 0.94 0.00 0.00 69 F 7.30 5.09 0.00 3.07 3.09 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 0.00 0.00 0.00 70 V 8.56 5.08 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 0.87 0.00 0.00 0.93 0.00 0.00 71 S 9.19 4.91 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.11 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 73 A 8.64 4.20 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