NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4938 8.1593 117.3238 62.7022 70.0491 173.4557 502 P 4.3094 0.0000 0.0000 61.9837 32.8578 173.9791 503 D 4.5091 8.8434 121.8905 55.4461 41.3161 176.9822 504 C 4.7330 9.1759 123.0680 57.8730 46.0159 174.0852 505 V 4.7032 7.3000 110.0671 60.0782 36.0404 173.7776 506 T 4.9050 9.0789 118.7102 60.8984 72.1995 173.9658 507 G 3.9489 7.8324 111.1958 46.2721 0.0000 171.4840 508 K 4.8012 8.2068 118.9384 55.6835 33.2768 177.5581 509 V 3.8608 8.1679 122.7899 62.5651 32.0834 175.5775 510 E 4.3003 8.9796 129.9422 59.2290 30.0494 175.9581 511 Y 5.2860 7.3836 114.9512 57.0385 41.2177 173.1288 512 T 5.0833 8.5558 109.4426 60.0108 72.6314 173.0118 513 K 4.5386 8.1313 122.7870 55.1617 35.9150 174.1484 514 Y 4.7259 8.7670 128.6387 57.0102 39.9986 174.1290 515 N 5.0471 8.1564 123.1710 51.2620 41.4331 175.5806 516 D 4.3825 8.8560 119.9565 56.9822 41.4738 176.5591 517 D 4.6724 7.9761 116.6356 53.0048 39.5036 176.4943 518 D 4.2461 8.2100 117.4055 55.2168 39.0276 174.0389 519 T 4.4634 7.5198 110.8386 60.9820 71.3143 173.0945 520 F 5.2031 8.9472 122.8096 56.9171 42.6795 173.3351 521 T 5.2519 8.7163 123.3346 62.0844 70.7854 174.1044 522 V 4.7403 9.0349 124.4189 59.7056 35.3159 174.2198 523 K 4.6618 8.1509 124.1017 54.6747 34.2628 174.9071 524 V 4.4010 7.9885 127.3110 60.7516 34.8440 174.7232 525 G 3.7252 8.9291 116.4616 47.2822 0.0000 173.7321 526 D 4.8689 8.8788 123.1645 52.3404 39.6658 175.4972 527 K 4.8287 7.8673 118.8148 54.9295 36.2307 174.5070 528 E 4.9274 9.4287 125.0698 54.7618 31.4120 174.7542 529 L 5.5264 9.1197 126.3523 52.9712 46.5910 175.3336 530 F 5.6052 9.0277 115.0731 55.4703 41.7615 173.6479 531 T 4.4177 8.7767 113.9304 60.0567 70.5724 173.7887 532 N 4.6185 8.5835 123.0944 52.6907 38.1791 175.1304 533 R 4.1893 7.7192 119.8276 55.1720 29.9628 176.8217 534 A 3.9883 8.6318 126.5494 55.3825 17.1811 178.6928 535 N 4.3219 8.1410 114.2295 56.2184 38.5446 176.8556 536 L 4.3097 7.8786 119.2272 56.3364 41.7875 179.2055 537 Q 2.9674 7.8637 119.3131 58.7072 28.5832 178.7670 538 S 4.1164 7.8073 114.7075 61.1490 63.1546 176.1783 539 L 3.8106 7.2969 119.6724 57.7117 41.3153 179.5359 540 L 4.2975 8.3846 119.2378 57.7666 41.4988 179.3417 541 L 4.1303 8.2276 120.4296 58.1588 41.9749 179.1824 542 S 4.1123 8.4092 115.1903 61.5494 62.7995 176.4521 543 A 4.0734 8.2828 123.5085 55.1572 17.6514 179.4603 544 Q 3.9593 8.4572 118.1518 59.5340 28.9801 178.6230 545 I 3.8374 7.9648 120.0598 64.1687 37.2791 177.6821 546 T 4.3891 8.0351 107.6188 61.1248 69.1602 174.9779 547 G 3.8572 7.7674 109.2770 46.8997 0.0000 173.9836 548 M 4.3959 7.8925 118.3080 55.1585 33.0702 176.3809 549 T 4.4858 8.4145 118.1854 63.2118 70.2265 174.4694 550 V 4.8475 8.7628 118.8745 59.7557 35.8067 174.6191 551 T 4.9252 8.3949 119.0251 61.8866 71.6750 173.0110 552 I 4.5356 8.3901 127.2888 59.4915 39.4788 174.6667 553 K 4.9141 8.1527 126.1317 55.0213 33.8356 175.6650 554 T 4.4247 8.0290 116.5520 61.5753 70.2597 173.2515 555 N 4.4374 9.0983 123.9657 55.0048 39.7133 175.9558 556 A 4.4638 7.9545 124.6825 50.8765 17.5805 176.8113 557 C 4.7478 7.5242 122.8262 53.9223 43.0944 171.7051 558 H 4.8704 7.4748 118.1926 53.4804 31.1047 173.6694 559 N 4.7130 8.6241 118.3337 55.1157 38.5634 175.8263 560 G 4.0825 9.4867 112.1566 45.0851 0.0000 173.6551 561 G 4.0189 7.5651 107.3720 45.1928 0.0000 173.9720 562 G 3.5484 8.3923 109.0834 45.2126 0.0000 172.6646 563 F 5.1476 7.6463 114.8843 55.7329 40.6031 174.2859 564 S 4.4735 8.8060 111.5537 57.3731 64.6797 173.4739 565 E 4.7671 8.1835 121.3833 54.8085 31.4477 175.1262 566 V 4.7440 8.2227 122.7994 61.3957 35.0909 173.6109 567 I 4.4359 8.5105 128.1553 59.5156 39.7275 174.3457 568 F 5.0125 8.8565 125.2967 55.8305 41.0234 175.9907 569 R 4.3418 8.8794 122.1375 56.3231 30.8386 175.4635 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 501 T 8.16 4.49 4.23 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 1.20 0.00 0.00 502 P 0.00 4.31 0.00 2.17 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 503 D 8.84 4.51 0.00 2.53 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 0.00 504 C 9.18 4.73 0.00 2.86 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 0.00 505 V 7.30 4.70 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 0.60 0.00 0.00 0.76 0.00 0.00 506 T 9.08 4.91 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 507 G 7.83 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 0.00 0.00 0.00 508 K 8.21 4.80 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.42 7.81 509 V 8.17 3.86 2.12 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 0.79 0.00 0.00 0.95 0.00 0.00 510 E 8.98 4.30 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 511 Y 7.38 5.29 0.00 2.95 2.98 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 0.00 512 T 8.56 5.08 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 1.36 0.00 0.00 513 K 8.13 4.54 0.00 1.84 1.61 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.39 7.81 514 Y 8.77 4.73 0.00 3.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 N 8.16 5.05 0.00 2.76 2.61 0.00 0.00 6.39 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 D 8.86 4.38 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 D 7.98 4.67 0.00 2.78 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 0.00 518 D 8.21 4.25 0.00 2.88 2.90 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 0.00 519 T 7.52 4.46 4.53 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 0.00 0.00 0.00 1.32 0.00 0.00 520 F 8.95 5.20 0.00 2.99 2.88 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 0.00 521 T 8.72 5.25 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 1.32 0.00 0.00 522 V 9.03 4.74 2.24 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 0.86 0.00 0.00 0.89 0.00 0.00 523 K 8.15 4.66 0.00 0.81 0.74 0.00 1.40 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 1.14 7.81 524 V 7.99 4.40 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.78 0.00 0.00 525 G 8.93 3.73 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 0.00 0.00 0.00 526 D 8.88 4.87 0.00 2.76 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 0.00 527 K 7.87 4.83 0.00 1.61 1.66 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.43 7.81 528 E 9.43 4.93 0.00 2.18 1.87 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 2.27 2.30 0.00 529 L 9.12 5.53 0.00 1.58 1.77 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 530 F 9.03 5.61 0.00 3.19 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 0.00 531 T 8.78 4.42 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 1.08 0.00 0.00 532 N 8.58 4.62 0.00 2.89 3.01 0.00 0.00 6.09 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 R 7.72 4.19 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 534 A 8.63 3.99 1.31 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 0.00 0.00 535 N 8.14 4.32 0.00 2.74 2.87 0.00 0.00 7.18 6.74 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 0.00 536 L 7.88 4.31 0.00 1.90 1.79 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.86 2.97 0.00 1.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.60 2.18 0.00 538 S 7.81 4.12 0.00 4.00 4.07 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 0.00 0.00 0.00 539 L 7.30 3.81 0.00 1.88 1.43 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.38 4.30 0.00 1.98 2.05 1.37 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.23 4.13 0.00 1.93 1.72 1.10 0.90 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 0.00 542 S 8.41 4.11 0.00 4.02 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 0.00 543 A 8.28 4.07 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 Q 8.46 3.96 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 545 I 7.96 3.84 2.03 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 1.62 0.83 0.93 0.00 0.00 546 T 8.04 4.39 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 1.22 0.00 0.00 547 G 7.77 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 0.00 548 M 7.89 4.40 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 549 T 8.41 4.49 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 1.18 0.00 0.00 550 V 8.76 4.85 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.84 0.00 0.00 551 T 8.39 4.93 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 1.15 0.00 0.00 552 I 8.39 4.54 1.50 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.36 0.22 0.00 0.00 553 K 8.15 4.91 0.00 1.59 1.73 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.27 7.81 554 T 8.03 4.42 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 1.19 0.00 0.00 555 N 9.10 4.44 0.00 2.75 2.86 0.00 0.00 6.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 A 7.95 4.46 1.25 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 0.00 0.00 0.00 557 C 7.52 4.75 0.00 3.06 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 0.00 558 H 7.47 4.87 0.00 3.36 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.62 4.71 0.00 2.78 2.87 0.00 0.00 7.10 7.65 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 0.00 560 G 9.49 4.08 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 0.00 0.00 0.00 561 G 7.57 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 562 G 8.39 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 0.00 0.00 0.00 563 F 7.65 5.15 0.00 2.87 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 0.00 564 S 8.81 4.47 0.00 3.90 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 0.00 565 E 8.18 4.77 0.00 2.11 1.89 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 2.33 2.30 0.00 566 V 8.22 4.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 1.04 0.00 0.00 567 I 8.51 4.44 1.76 0.00 0.00 0.81 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 0.46 0.89 0.00 0.00 568 F 8.86 5.01 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 R 8.88 4.34 0.00 1.73 1.77 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00