NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 602 S 4.4202 8.1927 115.2895 57.8659 63.6532 174.0279 603 Q 3.6700 9.0350 129.2194 58.0430 28.8499 175.5215 604 W 4.3384 8.3918 113.7362 55.8277 30.6815 175.3153 605 G 4.0849 7.5959 111.6056 45.0843 0.0000 174.7118 606 S 5.1123 6.8239 112.9084 53.8093 68.0482 175.2042 607 G 3.5653 8.3920 108.0347 47.5876 0.0000 175.9104 608 K 2.7882 7.5131 121.3515 58.6321 32.0173 178.4254 609 N 4.2759 7.8617 117.1302 56.6063 38.9416 176.6542 610 L 3.3862 7.5631 121.3331 58.0091 41.9343 178.4023 611 Y 3.9262 7.7462 119.0568 60.8507 38.5967 177.6572 612 D 3.8550 7.9773 118.5005 56.9341 40.9412 178.3477 613 K 4.2982 8.0622 118.2003 58.5838 32.5787 176.9669 614 V 4.1201 7.7284 115.4794 63.4839 33.6101 176.9359 615 C 4.0143 7.5997 114.8544 63.1127 28.5809 176.5434 616 G 2.9985 7.9897 107.5656 47.6615 0.0000 175.1844 617 H 4.2587 7.5957 117.3415 58.0241 28.8879 176.3829 618 C 4.6398 7.8495 117.0903 61.1358 29.9420 175.4725 619 H 4.5151 8.2183 116.2732 57.4536 29.1143 176.3351 620 K 4.1097 7.9576 119.9856 55.8702 32.3271 175.8310 621 P 4.2666 0.0000 0.0000 65.9817 31.0127 177.3685 622 E 4.0436 8.1185 115.6345 58.7381 29.3396 177.5696 623 V 3.6635 7.3795 119.8424 62.0829 32.0248 176.4698 624 G 3.9055 8.0852 107.3930 46.0163 0.0000 174.3810 625 V 3.7279 7.9060 121.4543 64.1777 31.8491 176.1044 626 G 4.1582 7.6267 106.6322 42.2522 0.0000 170.6801 627 P 4.5027 0.0000 0.0000 61.9384 32.0259 176.4281 628 V 3.8285 8.2421 119.3834 63.1762 31.8701 175.7268 629 L 4.5410 8.3330 124.9515 54.7218 43.5040 176.3429 630 E 3.6877 8.2164 118.3257 57.0932 29.2346 176.6989 631 G 3.9149 8.5009 114.6237 46.2765 0.0000 173.8179 632 R 4.2994 8.0914 117.0865 54.8107 31.3670 177.0297 633 G 3.8704 8.0481 105.3155 46.2317 0.0000 173.7823 634 L 4.1044 7.9468 119.5629 53.3422 42.5127 176.2219 635 P 4.3856 0.0000 0.0000 62.6466 33.2807 177.1189 636 E 3.9382 8.7932 121.0123 59.5219 29.2738 179.2178 637 A 4.0768 8.0366 120.1713 54.8903 18.4125 178.9153 638 Y 4.1226 7.8153 117.8909 60.9996 39.1781 177.5034 639 I 3.5406 7.6745 120.3596 64.2278 37.1096 178.6195 640 K 4.0211 8.0518 119.5148 59.4176 31.8872 179.1449 641 D 4.3890 7.7586 118.7113 57.0980 40.7419 178.9531 642 I 3.5812 7.4523 120.5416 64.2403 37.0181 178.6562 643 V 3.7431 7.5394 118.6865 66.0855 31.1645 178.2696 644 R 4.0409 8.0185 116.7017 58.3851 30.0378 177.7357 645 N 4.7092 8.4027 115.1362 51.8404 39.7466 176.7036 646 G 4.0451 8.8397 103.5767 45.7665 0.0000 173.1945 647 F 4.7945 8.3823 120.7213 56.9312 42.3591 177.4352 648 R 3.5025 9.0353 130.0018 57.0137 28.9142 178.2491 649 A 4.0035 8.9656 128.9594 55.4948 19.6285 179.1472 650 M 4.2147 8.1128 117.2229 54.6167 32.8116 174.1167 651 P 4.8669 0.0000 0.0000 62.3875 33.0183 174.8347 652 A 4.8277 8.0612 121.3755 50.4645 20.8718 176.3480 653 F 4.6235 8.6859 119.8719 55.0013 41.3093 174.3630 654 P 4.5905 0.0000 0.0000 61.6255 31.2403 177.0975 655 A 4.4029 8.9496 122.6919 54.9305 17.8415 180.1272 656 S 4.3153 8.1710 111.5909 61.2851 63.0998 175.6673 657 Y 4.5519 7.3878 119.5913 58.6084 39.1687 175.7816 658 V 4.7920 8.2419 124.4736 60.7216 32.9701 174.5477 659 D 4.7868 9.3303 127.5057 52.6578 40.2860 177.2586 660 D 4.4003 8.8255 119.5583 57.8016 40.7439 178.9313 661 E 3.9984 8.1588 119.1722 59.3402 29.7886 178.7599 662 S 4.3560 8.4130 114.6134 60.9533 62.9447 176.5778 663 L 4.0312 7.6356 122.4757 57.8580 41.3571 179.5052 664 T 3.9072 7.7697 115.7021 66.6752 68.4969 176.7940 665 Q 4.0586 7.9745 119.7493 59.0221 28.7925 179.3951 666 V 3.8026 7.9740 119.9539 64.5691 31.3564 178.2474 667 A 3.9725 8.0998 121.4238 55.1769 17.8220 179.5501 668 E 3.9547 8.3115 117.0388 59.6027 29.2567 179.0040 669 Y 4.1054 7.9549 119.0131 60.4720 39.0614 177.5197 670 L 3.7237 7.9547 120.0961 57.6105 41.8117 179.6201 671 S 4.0636 7.7766 115.1585 61.4513 62.6375 176.5472 672 S 4.2261 7.4349 113.9240 59.1715 62.9559 174.1988 673 L 4.3733 6.5078 122.6794 52.6308 43.0530 174.9385 674 P 4.3647 0.0000 0.0000 63.1560 31.4531 176.2158 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 602 S 8.19 4.42 0.00 3.89 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 0.00 603 Q 9.04 3.67 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 1.85 2.27 0.00 604 W 8.39 4.34 0.00 3.28 3.22 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 0.00 605 G 7.60 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 0.00 606 S 6.82 5.11 0.00 3.97 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 0.00 607 G 8.39 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 K 7.51 2.79 0.00 0.97 1.49 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.03 7.81 609 N 7.86 4.28 0.00 2.91 3.16 0.00 0.00 6.74 6.95 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 0.00 610 L 7.56 3.39 0.00 1.52 1.63 -0.46 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 7.75 3.93 0.00 3.22 3.03 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 0.00 612 D 7.98 3.85 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 K 8.06 4.30 0.00 1.78 2.10 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.85 1.88 7.81 614 V 7.73 4.12 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.39 0.00 0.00 615 C 7.60 4.01 0.00 2.91 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 0.00 616 G 7.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 H 7.60 4.26 0.00 3.20 3.34 0.00 5.80 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 C 7.85 4.64 0.00 2.83 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 0.00 619 H 8.22 4.52 0.00 3.35 3.50 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 K 7.96 4.11 0.00 1.94 2.00 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.24 7.81 621 P 0.00 4.27 0.00 2.20 2.26 0.00 3.95 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 2.05 2.04 0.00 622 E 8.12 4.04 0.00 2.11 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 2.29 2.25 0.00 623 V 7.38 3.66 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 0.82 0.00 0.00 0.92 0.00 0.00 624 G 8.09 3.91 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 0.00 0.00 0.00 625 V 7.91 3.73 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 0.78 0.00 0.00 0.92 0.00 0.00 626 G 7.63 4.16 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 0.00 0.00 0.00 627 P 0.00 4.50 0.00 2.27 2.14 0.00 3.91 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 2.13 2.08 0.00 628 V 8.24 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 0.86 0.00 0.00 0.97 0.00 0.00 629 L 8.33 4.54 0.00 1.63 1.62 0.80 0.93 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 0.00 630 E 8.22 3.69 0.00 1.90 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 2.02 2.28 0.00 631 G 8.50 3.91 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 0.00 0.00 0.00 632 R 8.09 4.30 0.00 1.92 1.95 0.00 3.33 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 633 G 8.05 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 0.00 634 L 7.95 4.10 0.00 1.69 1.77 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 635 P 0.00 4.39 0.00 2.21 2.00 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 636 E 8.79 3.94 0.00 2.04 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 2.39 0.00 637 A 8.04 4.08 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 0.00 638 Y 7.82 4.12 0.00 3.02 3.14 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 0.00 0.00 0.00 639 I 7.67 3.54 1.98 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 1.49 1.03 0.86 0.00 0.00 640 K 8.05 4.02 0.00 1.96 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.66 7.81 641 D 7.76 4.39 0.00 2.64 2.66 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 0.00 0.00 0.00 0.00 642 I 7.45 3.58 1.52 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.05 0.86 0.00 0.00 643 V 7.54 3.74 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 1.18 0.00 0.00 0.93 0.00 0.00 644 R 8.02 4.04 0.00 1.90 1.99 0.00 3.40 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 645 N 8.40 4.71 0.00 2.83 2.90 0.00 0.00 7.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 G 8.84 4.05 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 0.00 0.00 0.00 647 F 8.38 4.79 0.00 3.04 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 0.00 648 R 9.04 3.50 0.00 1.38 1.23 0.00 3.00 0.00 0.00 2.89 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 649 A 8.97 4.00 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 0.00 650 M 8.11 4.21 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 651 P 0.00 4.87 0.00 1.63 1.84 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 652 A 8.06 4.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 F 8.69 4.62 0.00 2.83 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 0.00 654 P 0.00 4.59 0.00 2.31 2.05 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 655 A 8.95 4.40 1.38 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 0.00 0.00 656 S 8.17 4.32 0.00 4.08 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 0.00 657 Y 7.39 4.55 0.00 3.21 3.34 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 0.00 658 V 8.24 4.79 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 0.86 0.00 0.00 0.73 0.00 0.00 659 D 9.33 4.79 0.00 3.01 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 0.00 660 D 8.83 4.40 0.00 2.74 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 0.00 661 E 8.16 4.00 0.00 2.07 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 2.41 2.42 0.00 662 S 8.41 4.36 0.00 4.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 L 7.64 4.03 0.00 1.97 1.73 0.86 0.63 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 0.00 664 T 7.77 3.91 4.43 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 1.29 0.00 0.00 665 Q 7.97 4.06 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 666 V 7.97 3.80 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 0.86 0.00 0.00 1.00 0.00 0.00 667 A 8.10 3.97 1.42 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 0.00 0.00 0.00 0.00 0.00 668 E 8.31 3.95 0.00 2.22 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 2.33 2.32 0.00 669 Y 7.95 4.11 0.00 2.90 3.08 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 0.00 670 L 7.95 3.72 0.00 1.96 1.56 0.34 0.66 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 0.00 671 S 7.78 4.06 0.00 3.77 3.85 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 0.00 0.00 0.00 0.00 672 S 7.43 4.23 0.00 3.97 3.93 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 0.00 673 L 6.51 4.37 0.00 1.57 1.40 0.49 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.36 0.00 2.14 1.99 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00