NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4292 8.1627 118.3244 55.2737 33.6164 173.2815 2 Q 4.8528 8.2471 120.9930 52.6637 31.2688 172.8194 3 I 4.3055 9.0177 120.2227 58.8809 42.1488 173.4386 4 F 5.5633 9.0618 120.3305 55.6813 42.5988 175.0099 5 V 4.8209 8.5451 121.5723 61.0213 34.5986 174.4178 6 K 4.8474 9.2540 131.4839 55.5071 32.6137 176.8507 7 T 4.4787 8.6518 120.0151 61.2888 69.5190 174.9323 8 L 4.0390 8.3800 120.4318 58.1118 41.6607 178.3664 9 T 4.0630 7.4226 105.2287 62.2463 68.8924 175.4701 10 G 3.9351 7.9576 110.9224 45.0889 0.0000 173.5681 11 K 4.3357 7.6819 120.8775 55.6550 33.4258 174.8767 12 T 5.0562 8.2383 121.5920 62.2292 70.1256 173.9200 13 I 4.8161 8.7044 118.8349 59.3326 41.3670 174.1631 14 T 5.1901 8.4487 111.9862 60.1204 71.4786 173.4057 15 L 4.7179 8.4209 123.6311 53.4635 46.1392 174.3403 16 E 5.0023 8.7426 126.2640 54.9038 30.7319 175.0536 17 V 4.7180 8.8519 119.6327 60.0518 36.6417 174.1847 18 E 4.7283 10.7668 120.5905 53.9410 32.0134 176.1457 19 P 3.6330 0.0000 0.0000 65.2559 31.6067 178.0690 20 S 4.4315 7.8566 110.6507 59.2349 63.9804 174.3888 21 D 4.5508 8.7951 123.8335 54.6954 41.3275 176.0677 22 T 5.1566 8.1124 114.7212 59.9504 71.9791 176.2021 23 I 3.8285 8.1506 121.1801 64.0821 37.0386 178.5904 24 E 3.9935 8.1200 119.6118 59.2793 29.3702 178.7192 25 N 4.2986 7.9197 116.7198 56.3092 38.6461 177.6028 26 V 3.5578 7.6006 119.0500 66.0532 31.6404 178.2461 27 K 4.3329 8.3534 119.2894 58.8271 31.8065 179.2469 28 A 4.0264 7.9133 121.2052 55.0505 18.1086 179.8670 29 K 3.9837 8.0445 117.0804 59.5517 32.0151 179.7123 30 I 3.7709 7.7682 120.3640 64.1873 36.9397 178.1807 31 Q 4.1169 8.0930 120.6011 59.0614 28.6188 177.8757 32 D 4.3656 7.8615 119.4045 57.0205 41.1153 178.3148 33 K 4.3834 7.5405 115.3481 57.4600 33.2995 177.1870 34 E 4.6204 8.4178 118.6313 55.3298 31.6001 176.7534 35 G 3.8572 8.3278 105.9984 45.7982 0.0000 172.6204 36 I 4.3511 7.4488 119.6462 58.2349 38.8345 174.0180 37 P 4.3107 0.0000 0.0000 62.0955 32.0481 175.2713 38 P 4.2587 0.0000 0.0000 65.9256 31.3360 177.5542 39 D 4.6285 8.0782 114.1615 54.6559 39.2735 176.3350 40 Q 4.5293 8.4730 118.8609 55.8059 30.3342 174.6959 41 Q 4.6102 7.8117 118.4465 54.8267 30.8329 175.0095 42 R 4.6894 8.9019 122.1033 54.4737 33.5787 174.2303 43 L 5.1728 8.5265 124.0986 53.0597 44.3117 175.5459 44 I 4.9944 8.8731 124.4574 59.7175 40.7139 174.8535 45 F 4.8997 9.3143 127.8489 57.5644 42.8662 174.0030 46 A 3.1646 9.0073 129.1260 53.1373 15.6662 178.1875 47 G 3.9393 8.4027 107.1168 46.8672 0.0000 174.4488 48 K 4.5522 7.5297 119.3844 54.6718 34.0461 174.9953 49 Q 4.7714 8.3270 123.2899 55.1405 30.3276 174.8552 50 L 3.9792 8.4425 126.6993 54.1840 42.2110 176.5586 51 E 4.3499 9.6371 124.0707 55.7099 30.4361 177.6623 52 D 4.3759 9.1025 123.2237 57.2508 41.0435 178.0582 53 G 3.8363 7.9529 105.3539 46.2713 0.0000 173.8541 54 R 4.3390 7.6555 119.5977 56.0546 31.1771 175.1248 55 T 5.2011 8.2775 108.0823 59.1882 71.7665 175.0371 56 L 4.0972 8.5470 122.4342 58.1837 41.3994 180.2196 57 S 4.1168 8.1748 114.1605 61.3872 62.6806 176.0819 58 D 4.2523 7.6474 121.5527 57.3684 40.7170 177.8636 59 Y 4.3583 7.8055 112.8733 57.1787 38.7051 174.5031 60 N 4.0961 8.1801 117.6466 54.5927 37.7146 174.9296 61 I 3.8506 7.9347 119.3477 60.2936 36.6748 176.2490 62 Q 4.4179 8.1423 125.9193 53.6996 30.6550 175.4914 63 K 3.9891 8.1246 117.7415 58.6745 32.8146 177.0763 64 E 3.6533 8.9666 120.1321 56.5738 27.9913 175.0692 65 S 4.5723 7.5255 115.7712 58.8384 64.3538 173.2109 66 T 5.1578 8.6662 118.4560 62.0521 70.7050 173.6143 67 L 4.8635 9.4791 127.6501 53.5920 44.6916 175.1581 68 H 5.1298 9.2679 119.4504 54.0714 31.0730 173.1798 69 L 4.9044 8.4303 126.4833 53.8933 42.9601 175.8554 70 V 4.5609 9.0573 125.7248 60.5301 35.3108 174.8821 71 L 4.8722 8.3467 125.2919 53.6269 40.5518 177.8209 72 R 4.6765 8.3430 124.8241 56.2040 34.0019 175.2742 73 L 4.6127 8.0795 122.6444 52.3936 41.0460 176.2240 74 R 4.0624 7.9421 119.9410 56.6037 31.1340 177.2920 75 G 3.7585 8.3188 108.3868 46.4532 0.0000 173.3466 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 M 8.16 4.43 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 Q 8.25 4.85 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.02 2.30 0.00 3 I 9.02 4.31 1.76 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 1.06 0.48 0.72 0.00 0.00 4 F 9.06 5.56 0.00 3.03 2.89 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 5 V 8.55 4.82 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 0.95 0.00 0.00 0.91 0.00 0.00 6 K 9.25 4.85 0.00 1.90 1.79 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 7 T 8.65 4.48 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 1.32 0.00 0.00 8 L 8.38 4.04 0.00 1.66 1.78 0.93 0.90 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 9 T 7.42 4.06 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 10 G 7.96 3.94 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 0.00 0.00 0.00 11 K 7.68 4.34 0.00 1.80 1.67 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 12 T 8.24 5.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 13 I 8.70 4.82 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.98 0.00 0.00 14 T 8.45 5.19 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 1.52 0.00 0.00 15 L 8.42 4.72 0.00 1.71 1.38 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.74 5.00 0.00 1.95 1.80 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 2.18 2.34 0.00 17 V 8.85 4.72 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.89 0.00 0.00 18 E 10.77 4.73 0.00 2.05 1.78 0.00 0.00 0.00 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 2.27 0.00 19 P 0.00 3.63 0.00 2.16 2.11 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.86 4.43 0.00 3.97 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 21 D 8.80 4.55 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.11 5.16 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.15 3.83 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.93 0.88 0.00 0.00 24 E 8.12 3.99 0.00 2.01 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 2.51 2.64 0.00 25 N 7.92 4.30 0.00 2.85 2.85 0.00 0.00 6.66 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.60 3.56 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 0.98 0.00 0.00 0.96 0.00 0.00 27 K 8.35 4.33 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 7.91 4.03 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 29 K 8.04 3.98 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.70 7.81 30 I 7.77 3.77 2.15 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 1.40 0.72 0.95 0.00 0.00 31 Q 8.09 4.12 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 7.86 4.37 0.00 2.94 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 33 K 7.54 4.38 0.00 1.88 1.92 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.47 7.81 34 E 8.42 4.62 0.00 2.15 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 2.23 2.42 0.00 35 G 8.33 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.91 0.00 0.00 37 P 0.00 4.31 0.00 2.39 1.99 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 39 D 8.08 4.63 0.00 2.78 2.79 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 40 Q 8.47 4.53 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 41 Q 7.81 4.61 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 R 8.90 4.69 0.00 1.90 1.80 0.00 3.41 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.53 5.17 0.00 1.53 1.52 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 4.99 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 0.98 0.00 0.00 45 F 9.31 4.90 0.00 3.00 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 46 A 9.01 3.16 0.79 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 47 G 8.40 3.94 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 0.00 0.00 0.00 48 K 7.53 4.55 0.00 1.86 1.80 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.62 7.81 49 Q 8.33 4.77 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 50 L 8.44 3.98 0.00 1.37 1.15 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.64 4.35 0.00 2.05 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 2.38 2.40 0.00 52 D 9.10 4.38 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.95 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.66 4.34 0.00 2.29 1.92 0.00 3.16 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 55 T 8.28 5.20 4.49 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 0.00 0.00 0.00 1.25 0.00 0.00 56 L 8.55 4.10 0.00 1.71 1.73 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 4.12 0.00 4.06 4.21 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 0.00 0.00 0.00 0.00 58 D 7.65 4.25 0.00 2.68 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.81 4.36 0.00 2.99 3.18 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 0.00 0.00 0.00 0.00 60 N 8.18 4.10 0.00 2.91 3.02 0.00 0.00 7.13 8.25 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 61 I 7.93 3.85 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.48 0.55 0.00 0.00 62 Q 8.14 4.42 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.07 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 63 K 8.12 3.99 0.00 1.77 1.76 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.45 7.81 64 E 8.97 3.65 0.00 2.20 2.42 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 0.00 2.41 2.27 0.00 65 S 7.53 4.57 0.00 3.56 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 5.16 4.37 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 1.25 0.00 0.00 67 L 9.48 4.86 0.00 1.46 1.53 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.27 5.13 0.00 3.05 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.43 4.90 0.00 1.67 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.06 4.56 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 0.93 0.00 0.00 0.95 0.00 0.00 71 L 8.35 4.87 0.00 1.65 1.21 0.95 0.95 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 72 R 8.34 4.68 0.00 1.75 1.77 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 73 L 8.08 4.61 0.00 1.60 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.94 4.06 0.00 1.80 1.88 0.00 3.24 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 G 8.32 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00