NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.5322 8.3049 120.2756 55.1625 33.8580 174.2000 502 K 4.3469 8.9111 118.7954 55.6343 34.0811 174.8781 503 K 5.0215 9.2284 122.0408 54.4861 35.8987 175.1258 504 W 5.2625 9.2916 123.4755 54.7384 32.8077 174.7538 505 V 4.9867 8.8372 123.3254 59.7742 34.1779 174.3664 506 C 3.3298 8.9224 125.3624 59.0575 31.9418 173.9531 507 T 4.2361 8.5053 116.4246 62.4869 68.9621 175.5407 508 V 3.9719 7.6032 122.1948 64.7108 32.1070 175.9650 509 C 4.6848 7.8022 109.3440 56.9657 30.7479 174.6252 510 G 3.9243 8.4952 109.1951 45.0601 0.0000 173.1496 511 Y 4.3021 7.8666 121.2748 58.2127 39.9512 174.7111 512 I 4.9087 7.7164 126.1225 59.6871 39.4895 174.0892 513 Y 4.5262 9.1077 128.8452 56.1415 40.7016 173.5603 514 D 4.6615 7.7214 126.7481 52.4593 42.5908 176.3401 515 E 4.0524 8.8325 127.2100 59.3135 30.0765 179.4487 516 D 4.3561 8.2427 118.5114 57.3808 40.6961 178.5455 517 A 4.0452 8.3258 119.9985 52.6597 19.5862 179.3320 518 G 3.8262 7.6497 104.3636 45.2763 0.0000 175.4936 519 D 4.9008 8.6456 111.0036 53.0580 42.8801 174.5543 520 P 4.4882 0.0000 0.0000 65.2846 32.1179 178.8035 521 D 4.4250 8.2064 116.6530 56.4275 40.8800 176.5623 522 N 4.8569 8.3554 115.2343 52.9290 38.9113 175.4899 523 G 3.8909 8.5322 105.9560 45.4941 0.0000 173.8635 524 I 4.3431 7.7313 121.5517 59.1870 37.8187 175.7537 525 S 4.5113 8.4576 121.9867 57.5280 63.4406 172.3810 526 P 4.3700 0.0000 0.0000 64.4295 31.5301 176.7716 527 G 3.8746 8.7661 109.5334 46.1427 0.0000 173.1788 528 T 4.5052 7.6741 116.9287 61.7746 69.4676 174.9605 529 K 4.6104 9.0486 126.6372 56.0114 32.6974 178.0042 530 F 3.7069 9.4709 123.6562 61.4562 38.7918 177.5421 531 E 3.6567 7.9428 116.7784 59.1291 29.3143 178.4759 532 E 4.0724 7.8127 117.1271 57.0681 29.9586 177.2718 533 L 3.8818 6.2227 118.1452 53.5290 42.3182 175.2079 534 P 4.2630 0.0000 0.0000 62.9830 31.7910 177.5626 535 D 4.1779 8.6960 121.6100 56.8966 40.8814 177.0982 536 D 4.7768 7.8216 116.0745 52.3954 39.7054 176.0412 537 W 4.1984 7.8873 129.4871 58.5134 31.0127 175.5348 538 V 4.3076 6.7212 115.7219 58.7137 35.0736 175.0479 539 C 3.5025 8.5757 122.2650 59.4497 31.5058 173.2027 540 P 4.1427 0.0000 0.0000 64.2156 31.4114 177.1748 541 L 4.3501 7.5624 117.5230 56.0777 42.4438 177.0449 542 C 4.5398 7.9778 109.0539 57.2737 30.9071 174.6945 543 G 3.8074 8.1469 108.9999 45.2562 0.0000 174.1975 544 V 3.8320 7.3622 119.2745 60.9789 32.4980 176.1184 545 G 4.2142 8.3421 110.3059 44.4167 0.0000 174.7922 546 K 4.2585 8.6610 117.8593 59.2709 31.9770 178.9921 547 D 4.6517 8.2555 116.5303 55.1805 39.6551 176.6019 548 Q 4.5417 8.5347 119.0021 55.9022 29.1568 175.1661 549 F 5.1716 8.4871 117.6503 56.4099 40.6930 174.7218 550 E 5.1124 9.0035 119.9025 54.3107 33.4830 174.4839 551 K 3.1694 8.5038 122.5852 56.5898 32.1216 175.9037 552 L 4.3461 8.5282 130.0701 56.7875 43.2884 176.3736 553 E 4.6495 7.4188 115.9431 54.7594 34.3930 175.4879 554 D 4.3618 8.4597 120.9772 54.6147 41.1005 176.5787 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 M 8.30 4.53 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 502 K 8.91 4.35 0.00 2.09 1.41 0.00 1.78 0.00 0.00 1.36 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.53 7.81 503 K 9.23 5.02 0.00 1.56 1.58 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.28 7.81 504 W 9.29 5.26 0.00 2.85 2.75 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 0.00 0.00 0.00 505 V 8.84 4.99 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 0.84 0.00 0.00 0.95 0.00 0.00 506 C 8.92 3.33 0.00 2.40 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 T 8.51 4.24 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 1.25 0.00 0.00 508 V 7.60 3.97 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 0.93 0.00 0.00 0.92 0.00 0.00 509 C 7.80 4.68 0.00 3.08 2.95 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 0.00 510 G 8.50 3.92 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 0.00 0.00 0.00 511 Y 7.87 4.30 0.00 3.10 2.97 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 0.00 512 I 7.72 4.91 1.70 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 1.19 0.87 0.82 0.00 0.00 513 Y 9.11 4.53 0.00 3.43 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 0.00 514 D 7.72 4.66 0.00 2.57 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.05 0.00 2.07 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 2.85 2.54 0.00 516 D 8.24 4.36 0.00 2.67 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 A 8.33 4.05 1.22 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 0.00 518 G 7.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 D 8.65 4.90 0.00 3.03 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 0.00 520 P 0.00 4.49 0.00 2.25 2.12 0.00 3.71 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 2.14 2.14 0.00 521 D 8.21 4.43 0.00 2.72 2.78 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 0.00 0.00 0.00 522 N 8.36 4.86 0.00 2.97 2.87 0.00 0.00 7.50 7.74 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 0.00 523 G 8.53 3.89 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 0.00 0.00 0.00 524 I 7.73 4.34 2.22 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 1.03 0.00 0.00 525 S 8.46 4.51 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 P 0.00 4.37 0.00 2.05 2.10 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 527 G 8.77 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 0.00 528 T 7.67 4.51 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 1.17 0.00 0.00 529 K 9.05 4.61 0.00 1.82 2.00 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.55 1.44 7.81 530 F 9.47 3.71 0.00 2.19 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 0.00 0.00 0.00 531 E 7.94 3.66 0.00 1.87 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 2.28 2.35 0.00 532 E 7.81 4.07 0.00 2.03 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 0.00 2.28 2.28 0.00 533 L 6.22 3.88 0.00 0.88 0.89 -1.36 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 534 P 0.00 4.26 0.00 2.20 1.97 0.00 3.58 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 2.15 2.10 0.00 535 D 8.70 4.18 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.78 0.00 2.74 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 0.00 537 W 7.89 4.20 0.00 3.12 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 0.00 538 V 6.72 4.31 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 0.81 0.00 0.00 0.60 0.00 0.00 539 C 8.58 3.50 0.00 3.22 2.87 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 0.00 540 P 0.00 4.14 0.00 1.85 1.90 0.00 2.27 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.91 0.00 541 L 7.56 4.35 0.00 1.63 1.73 1.12 0.88 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 0.00 542 C 7.98 4.54 0.00 3.02 2.99 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 0.00 543 G 8.15 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 V 7.36 3.83 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 1.11 0.00 0.00 0.98 0.00 0.00 545 G 8.34 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 0.00 0.00 0.00 546 K 8.66 4.26 0.00 1.75 1.73 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.85 1.29 7.81 547 D 8.26 4.65 0.00 2.85 2.87 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 0.00 548 Q 8.53 4.54 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 549 F 8.49 5.17 0.00 3.47 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 0.00 550 E 9.00 5.11 0.00 2.03 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 0.00 2.22 2.24 0.00 551 K 8.50 3.17 0.00 0.81 1.38 0.00 1.65 0.00 0.00 1.27 0.00 0.00 2.50 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.90 0.34 7.81 552 L 8.53 4.35 0.00 1.54 1.59 0.87 0.81 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 0.00 553 E 7.42 4.65 0.00 1.78 1.65 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 2.21 2.24 0.00 554 D 8.46 4.36 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00