NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 543 R 4.1874 8.2549 119.6875 56.0636 31.5093 173.6028 544 L 4.4584 7.7145 117.4465 52.0232 45.0843 175.4571 545 N 4.5307 9.5890 119.6737 52.3639 41.3301 174.5875 546 P 4.3456 0.0000 0.0000 65.6689 31.2606 179.6841 547 V 3.7236 7.5504 110.8695 64.6578 31.6079 178.3282 548 Q 3.9411 7.8539 117.2248 58.6887 28.3748 178.4867 549 L 3.9749 8.1688 121.6759 58.4277 42.1605 178.9118 550 E 3.9935 8.3366 118.3674 59.2651 29.3116 179.2566 551 L 4.0224 8.4213 120.7111 58.1722 42.1996 178.5132 552 L 4.1414 8.8247 120.9398 58.6188 41.9759 178.8741 553 N 4.4149 8.4266 116.1192 56.1168 38.5560 177.4302 554 K 3.9575 8.6652 121.3966 59.5421 32.2649 178.6172 555 L 4.1219 8.9586 121.5738 57.9158 42.0109 178.0117 556 H 3.8704 8.4619 118.7416 59.4326 29.4774 177.1929 557 L 3.8676 7.6791 119.3649 57.4476 41.4518 178.9843 558 E 4.1357 7.9280 118.0408 59.1017 29.7522 177.8303 559 T 2.4800 7.9596 112.0081 60.9767 68.1788 174.1466 560 K 3.4954 7.0135 120.6480 58.0851 31.7750 174.0771 561 L 5.1118 6.9941 115.5900 52.0420 44.8980 176.8229 562 N 4.0766 8.5098 118.8005 53.5201 37.3508 175.6922 563 A 4.5620 8.8965 126.0302 53.9786 18.3272 179.1628 564 E 2.5400 7.9151 116.1973 59.2651 29.5344 178.8043 565 Y 3.6324 8.2433 118.0094 60.3994 38.0185 177.9486 566 T 3.7104 7.6489 116.6147 66.7199 68.5997 176.3549 567 F 4.1865 8.3673 116.1938 59.3515 38.0145 177.3151 568 M 3.9851 7.5903 119.5297 58.4417 32.0110 177.8359 569 L 3.8022 8.0038 120.4539 58.2395 42.3778 178.8243 570 A 3.6473 8.5335 121.9519 54.5462 18.1336 179.3287 571 E 2.9160 7.6713 116.8516 58.9417 29.8680 179.0973 572 Q 4.0870 7.8603 117.2865 57.9608 28.7583 177.2265 573 S 4.6097 7.9144 117.2731 58.2574 64.0965 175.1950 574 N 4.3068 8.4249 116.7836 53.0105 37.1743 174.4702 575 W 3.5741 7.6333 116.3677 58.1668 26.8729 174.0869 576 N 4.7384 8.1894 113.7782 52.9680 37.8325 173.1852 577 Y 3.8102 7.5726 117.2844 58.8361 38.8727 171.2507 578 E 3.6355 8.0429 119.7209 58.8653 29.9567 179.4435 579 V 3.8427 7.6993 118.5820 63.8768 31.9214 177.6656 580 A 4.5178 7.9729 122.3555 53.0680 18.5755 179.6580 581 I 3.8280 7.2298 118.4490 64.5706 37.3244 178.2917 582 K 3.8613 8.3764 119.7187 59.4651 31.6131 179.3427 583 G 3.6071 8.0017 105.5123 47.9008 0.0000 175.3802 584 F 4.4021 8.8544 118.1234 59.0777 37.8453 176.5636 585 Q 3.7241 6.7330 117.0069 56.5074 28.8666 176.9614 586 S 4.2517 7.6871 113.4961 61.0804 63.2457 173.9492 587 S 4.7493 8.0475 118.0185 58.0243 63.5950 174.9160 588 M 4.6891 8.1709 116.0195 56.4991 31.8255 176.5134 589 N 4.5309 8.0744 116.1332 53.8982 39.3796 175.5683 590 G 3.9582 7.8701 105.6468 45.1330 0.0000 173.6895 591 I 4.0147 7.8042 121.7692 59.8503 37.4314 174.5352 592 P 4.3427 0.0000 0.0000 63.5135 32.7683 177.0077 593 R 4.2576 8.4246 116.9678 57.7250 30.1280 178.6397 594 E 3.8948 8.0651 116.8492 58.5204 29.8881 178.2792 595 A 4.0231 7.2500 121.1217 54.4010 19.0880 179.0353 596 F 4.2327 8.3544 116.8919 59.3719 39.0580 176.9642 597 V 3.2772 7.8710 111.5431 62.4695 31.1121 173.3873 598 Q 4.5132 8.7155 121.6555 56.5899 28.8588 175.5467 599 F 4.0999 7.8849 123.0225 58.7913 39.5394 174.9847 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 543 R 8.25 4.19 0.00 1.73 1.87 0.00 3.07 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 544 L 7.71 4.46 0.00 1.41 1.07 0.65 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 545 N 9.59 4.53 0.00 2.50 2.63 0.00 0.00 7.27 7.71 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 0.00 546 P 0.00 4.35 0.00 2.11 2.06 0.00 3.52 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 2.07 2.13 0.00 547 V 7.55 3.72 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 0.81 0.00 0.00 0.86 0.00 0.00 548 Q 7.85 3.94 0.00 1.69 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.09 0.00 0.00 0.00 0.00 0.00 1.68 2.03 0.00 549 L 8.17 3.97 0.00 1.71 1.82 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 550 E 8.34 3.99 0.00 2.22 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 2.33 2.58 0.00 551 L 8.42 4.02 0.00 1.95 2.06 1.22 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 552 L 8.82 4.14 0.00 2.22 2.11 1.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 553 N 8.43 4.41 0.00 2.96 2.89 0.00 0.00 6.99 6.91 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 0.00 554 K 8.67 3.96 0.00 1.83 2.03 0.00 1.47 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.49 1.42 7.81 555 L 8.96 4.12 0.00 2.04 1.69 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 556 H 8.46 3.87 0.00 3.34 3.55 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 L 7.68 3.87 0.00 1.87 1.68 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 558 E 7.93 4.14 0.00 1.95 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 0.00 2.74 3.08 0.00 559 T 7.96 2.48 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 0.85 0.00 0.00 560 K 7.01 3.50 0.00 1.64 1.57 0.00 0.84 0.00 0.00 1.17 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.41 0.21 7.81 561 L 6.99 5.11 0.00 1.35 1.34 0.73 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 562 N 8.51 4.08 0.00 2.96 2.96 0.00 0.00 6.03 7.99 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 0.00 563 A 8.90 4.56 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 2.54 0.00 1.64 1.96 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 2.39 2.29 0.00 565 Y 8.24 3.63 0.00 3.02 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 0.00 566 T 7.65 3.71 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 567 F 8.37 4.19 0.00 3.47 3.49 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 0.00 568 M 7.59 3.99 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 569 L 8.00 3.80 0.00 1.74 1.88 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 570 A 8.53 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 E 7.67 2.92 0.00 2.38 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 2.50 2.30 0.00 572 Q 7.86 4.09 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.48 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 573 S 7.91 4.61 0.00 3.81 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 0.00 574 N 8.42 4.31 0.00 2.94 3.01 0.00 0.00 6.90 7.69 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 0.00 575 W 7.63 3.57 0.00 3.49 3.38 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 0.00 576 N 8.19 4.74 0.00 2.76 2.84 0.00 0.00 7.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 Y 7.57 3.81 0.00 3.29 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 0.00 578 E 8.04 3.64 0.00 2.09 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 2.73 2.74 0.00 579 V 7.70 3.84 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 0.90 0.00 0.00 580 A 7.97 4.52 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 0.00 581 I 7.23 3.83 1.61 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.61 0.80 0.00 0.00 582 K 8.38 3.86 0.00 1.83 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.60 7.81 583 G 8.00 3.61 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 0.00 0.00 0.00 584 F 8.85 4.40 0.00 3.15 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 0.00 585 Q 6.73 3.72 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.87 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 586 S 7.69 4.25 0.00 3.95 4.03 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 0.00 0.00 0.00 0.00 587 S 8.05 4.75 0.00 3.90 3.77 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 0.00 588 M 8.17 4.69 0.00 2.49 2.57 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 589 N 8.07 4.53 0.00 2.70 2.86 0.00 0.00 6.76 7.61 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 0.00 590 G 7.87 3.96 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 0.00 0.00 0.00 591 I 7.80 4.01 2.34 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.17 0.84 0.00 0.00 592 P 0.00 4.34 0.00 2.15 2.15 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.06 0.00 593 R 8.42 4.26 0.00 1.89 2.05 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 594 E 8.07 3.89 0.00 2.06 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 0.00 2.05 1.94 0.00 595 A 7.25 4.02 0.71 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 0.00 0.00 596 F 8.35 4.23 0.00 3.06 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 0.00 597 V 7.87 3.28 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 0.76 0.00 0.00 1.07 0.00 0.00 598 Q 8.72 4.51 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.23 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 599 F 7.88 4.10 0.00 2.93 3.10 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 0.00 0.00 0.00 0.00