NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3700 8.2931 120.3465 54.9431 33.8987 176.3861 2 G 3.8423 7.6059 108.4538 44.8167 0.0000 170.5186 3 K 4.2177 8.0528 123.8949 57.6611 34.9904 175.0868 4 G 3.9939 7.7723 107.9270 45.5026 0.0000 172.3448 5 D 5.0696 8.3266 123.8860 51.5631 44.7522 174.3408 6 P 4.4492 0.0000 0.0000 65.3806 31.7930 176.9714 7 N 4.8092 7.9630 113.0528 53.9831 41.0642 175.1849 8 K 4.1528 7.8991 115.5082 55.4528 32.7077 174.7954 9 P 4.5459 0.0000 0.0000 62.5578 32.4960 174.9834 10 R 5.0897 7.6425 118.4219 53.9556 31.9451 175.7336 11 G 3.5004 8.0601 107.3117 45.0931 0.0000 171.3481 12 K 4.5100 7.8600 119.7124 55.0251 34.9590 173.4486 13 M 4.9684 7.9583 119.5327 55.8341 34.1796 174.5365 14 S 4.5979 8.2307 109.8274 56.9623 66.8447 176.1792 15 S 4.4018 8.6207 117.6633 61.3526 62.5252 175.6490 16 Y 2.9109 7.9187 123.1674 59.9261 38.5534 177.6877 17 A 4.0465 8.0932 121.5613 55.0242 18.7433 179.4396 18 F 3.9467 8.3259 115.0214 60.1562 38.8655 177.7040 19 F 3.4095 7.7754 120.1964 61.2318 39.1176 177.4848 20 V 3.6965 7.2703 117.4026 65.7916 31.3052 177.7641 21 Q 3.9883 7.9687 119.3668 59.1340 28.9944 177.9193 22 T 4.3725 8.4496 117.0447 66.1541 68.5386 177.2727 23 S 4.2792 8.2093 116.9156 61.2282 63.2639 176.2676 24 R 3.5396 8.1655 121.7299 59.1085 29.5789 178.3594 25 E 4.0357 7.6946 116.2504 58.4260 29.3731 177.5495 26 E 4.5085 7.4291 117.1151 56.4037 30.5582 175.7359 27 H 4.6127 7.8020 118.5194 57.0481 31.0991 176.7925 28 K 3.9483 7.9397 119.7967 59.0534 32.1840 178.5050 29 K 3.9870 8.0478 117.5075 58.7482 32.0207 177.4684 30 K 4.5785 7.9722 115.7674 56.5415 33.6511 177.0945 31 H 4.9382 7.5591 114.7051 54.8274 29.9677 171.5266 32 P 4.3217 0.0000 0.0000 65.3386 32.5417 178.2394 33 D 4.8847 7.7060 118.2842 51.9226 39.8646 176.0046 34 S 4.4692 7.4354 114.2417 57.0003 67.3647 174.8127 35 S 4.4061 8.6411 120.7371 57.4223 62.5012 174.5433 36 V 4.0078 7.5496 127.9948 59.4960 30.3693 175.4217 37 N 4.1766 7.6427 125.7571 54.1115 40.9011 174.0301 38 F 4.3034 8.3575 118.2569 60.6712 38.9725 177.8016 39 A 4.6315 8.0300 121.3075 54.7407 18.1630 179.2580 40 E 4.1000 8.3096 115.1432 58.2857 29.6992 177.8362 41 F 4.7645 7.6499 118.9268 59.7290 40.9305 177.3115 42 S 4.1015 9.2461 114.6375 61.3875 62.2787 176.6902 43 K 4.0543 7.7064 121.3968 58.9279 32.1815 178.7460 44 K 4.0981 7.6798 119.4268 59.4312 32.4058 178.5215 45 C 4.2618 7.9372 117.3573 62.6697 27.9122 176.2532 46 S 4.3395 7.9557 115.8505 61.4179 62.2548 176.4514 47 E 3.9789 8.1005 121.9243 58.7741 29.1328 179.0528 48 R 4.3478 7.8184 119.5192 58.0587 30.3413 178.0024 49 W 3.7014 8.3157 127.3660 60.2345 30.5652 177.8448 50 K 3.9384 8.0654 117.8926 58.7914 31.8715 178.6376 51 T 4.1886 7.2182 108.8881 62.1463 69.3232 175.0788 52 M 4.2180 7.4574 121.5641 55.6611 32.6409 176.2926 53 S 4.6007 8.0495 115.7791 56.7801 67.1351 174.6796 54 A 4.0254 8.2225 121.7775 54.8609 17.7699 179.7735 55 K 4.0097 7.4823 116.4310 58.8307 32.3544 178.4114 56 E 4.5090 7.9352 117.6901 58.3103 30.5278 178.3971 57 K 4.4201 8.4180 118.8421 59.1568 31.9830 179.4049 58 S 4.1948 8.1108 114.7234 61.3053 61.1915 176.5034 59 K 3.9282 8.2985 123.1178 58.8507 31.9445 178.3432 60 F 4.6143 8.2698 117.0978 59.3688 39.3606 177.7169 61 E 4.1770 8.6995 118.5055 59.0932 29.1901 178.5517 62 D 4.3771 8.1485 118.1304 57.0394 41.0083 177.9752 63 M 4.0565 7.4262 117.2915 57.4396 31.9676 178.4893 64 A 3.7277 7.5597 120.7833 54.8101 18.6547 179.6143 65 K 3.9273 7.8384 118.0437 59.3602 31.9744 178.9785 66 S 4.0707 7.4476 111.7443 61.1169 62.1304 174.9905 67 D 4.5917 7.6313 120.0438 56.1690 40.7725 178.2148 68 K 3.9871 8.2807 120.3016 59.2847 32.2393 178.5174 69 A 3.8775 8.1499 121.0693 54.6302 17.9172 179.4849 70 R 3.9233 7.7338 116.9118 59.6405 28.7453 178.0767 71 Y 4.1157 7.7672 119.2333 60.3834 39.0739 177.1618 72 D 4.5175 8.2119 119.0726 56.1738 41.3932 176.7272 73 R 4.7554 7.4741 117.5539 56.3298 30.6714 176.0764 74 E 4.3919 8.0122 116.5659 57.8077 31.6836 175.9170 75 M 4.2318 7.0669 113.3955 56.1022 33.2454 177.0062 76 K 4.2624 7.0325 116.1257 55.6492 33.6948 176.2303 77 N 4.4462 8.6371 118.2634 54.3077 39.8705 173.9012 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 8.29 4.37 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 G 7.61 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 3 K 8.05 4.22 0.00 1.83 1.74 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.40 7.81 4 G 7.77 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.33 5.07 0.00 2.93 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.45 0.00 2.18 2.18 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 7 N 7.96 4.81 0.00 2.69 2.85 0.00 0.00 6.92 7.62 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 8 K 7.90 4.15 0.00 1.77 1.81 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 9 P 0.00 4.55 0.00 2.44 2.19 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 10 R 7.64 5.09 0.00 1.80 1.88 0.00 3.05 0.00 0.00 3.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 11 G 8.06 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 0.00 0.00 0.00 12 K 7.86 4.51 0.00 1.62 1.73 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.30 0.71 7.81 13 M 7.96 4.97 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.84 0.00 14 S 8.23 4.60 0.00 3.94 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 15 S 8.62 4.40 0.00 4.44 4.39 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 16 Y 7.92 2.91 0.00 3.01 2.91 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 17 A 8.09 4.05 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 18 F 8.33 3.95 0.00 3.48 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.78 3.41 0.00 1.84 2.43 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 20 V 7.27 3.70 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 1.16 0.00 0.00 0.99 0.00 0.00 21 Q 7.97 3.99 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 22 T 8.45 4.37 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 1.32 0.00 0.00 23 S 8.21 4.28 0.00 3.91 4.04 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 0.00 0.00 0.00 0.00 24 R 8.17 3.54 0.00 1.91 1.82 0.00 3.15 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.57 0.00 25 E 7.69 4.04 0.00 2.17 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 2.31 2.42 0.00 26 E 7.43 4.51 0.00 2.08 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 2.28 2.30 0.00 27 H 7.80 4.61 0.00 3.18 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.94 3.95 0.00 1.78 1.76 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.43 7.81 29 K 8.05 3.99 0.00 1.74 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 30 K 7.97 4.58 0.00 1.58 1.66 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.10 0.96 7.81 31 H 7.56 4.94 0.00 3.05 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.32 0.00 2.16 2.15 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 33 D 7.71 4.88 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.44 4.47 0.00 3.82 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 35 S 8.64 4.41 0.00 3.92 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 36 V 7.55 4.01 1.71 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 0.35 0.00 0.00 0.25 0.00 0.00 37 N 7.64 4.18 0.00 2.80 2.77 0.00 0.00 7.17 7.85 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 38 F 8.36 4.30 0.00 3.20 3.12 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 0.00 39 A 8.03 4.63 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 40 E 8.31 4.10 0.00 2.04 2.06 0.00 0.00 0.00 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 2.32 0.00 41 F 7.65 4.76 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.25 4.10 0.00 4.07 4.38 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 43 K 7.71 4.05 0.00 1.96 1.93 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.61 7.81 44 K 7.68 4.10 0.00 1.71 1.54 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.46 7.81 45 C 7.94 4.26 0.00 2.81 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 46 S 7.96 4.34 0.00 4.15 4.39 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 47 E 8.10 3.98 0.00 2.26 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 0.00 2.34 2.55 0.00 48 R 7.82 4.35 0.00 1.96 2.19 0.00 3.56 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 49 W 8.32 3.70 0.00 1.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.07 3.94 0.00 1.90 1.81 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.63 7.81 51 T 7.22 4.19 4.20 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 1.20 0.00 0.00 52 M 7.46 4.22 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.74 0.00 53 S 8.05 4.60 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.48 4.01 0.00 1.66 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.47 7.81 56 E 7.94 4.51 0.00 2.05 2.14 0.00 0.00 0.00 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 2.42 0.00 57 K 8.42 4.42 0.00 1.75 1.80 0.00 0.91 0.00 0.00 1.36 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.80 7.81 58 S 8.11 4.19 0.00 4.11 4.27 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 59 K 8.30 3.93 0.00 1.85 1.74 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.34 7.81 60 F 8.27 4.61 0.00 3.74 3.21 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 61 E 8.70 4.18 0.00 2.11 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 0.00 2.50 2.72 0.00 62 D 8.15 4.38 0.00 2.86 2.61 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 0.00 0.00 0.00 63 M 7.43 4.06 0.00 1.42 1.75 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 64 A 7.56 3.73 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 3.93 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 66 S 7.45 4.07 0.00 4.08 3.98 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 0.00 0.00 0.00 67 D 7.63 4.59 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.99 0.00 2.04 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 69 A 8.15 3.88 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 70 R 7.73 3.92 0.00 2.15 2.14 0.00 3.17 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 71 Y 7.77 4.12 0.00 3.05 3.15 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 0.00 72 D 8.21 4.52 0.00 2.92 2.76 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 73 R 7.47 4.76 0.00 1.86 1.90 0.00 3.16 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 74 E 8.01 4.39 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 75 M 7.07 4.23 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 76 K 7.03 4.26 0.00 1.87 1.69 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.29 7.81 77 N 8.64 4.45 0.00 2.77 2.71 0.00 0.00 6.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00