NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 605 S 4.4342 8.1927 116.8089 58.2422 64.4482 173.3818 606 K 3.5912 7.5696 120.7652 54.8212 32.9488 174.2726 607 C 4.2990 8.6990 125.4189 59.3976 32.9024 174.4474 608 R 3.4323 7.9412 126.6414 58.6364 29.5442 177.0845 609 K 3.9960 7.5976 119.6841 55.9321 32.2034 176.2939 610 A 3.8209 8.3677 128.9502 55.3680 18.9908 178.6280 611 G 4.0090 7.6227 104.8984 45.1096 0.0000 173.3912 612 C 4.7802 7.5908 117.1075 57.3653 34.1058 173.6995 613 V 3.7257 8.1596 126.0034 64.6641 31.8448 175.6044 614 Y 4.6687 7.5036 116.9903 58.0276 39.2340 174.5742 615 F 4.7711 9.2341 120.0633 56.8153 40.6940 176.4171 616 G 4.1673 8.6460 110.2677 45.6183 0.0000 172.4224 617 T 4.6967 8.1345 112.5182 60.1264 70.4770 173.2946 618 P 4.2574 0.0000 0.0000 65.9574 31.5246 178.2456 619 E 4.1048 8.1115 115.2879 58.3258 29.6715 177.0553 620 N 3.9103 8.2578 117.1196 52.2824 39.0094 174.8043 621 K 3.6578 8.9524 115.0959 57.5621 30.4986 176.6058 622 G 3.8047 8.3253 105.5307 45.3188 0.0000 173.9027 623 F 4.8533 7.9035 119.0576 56.1406 40.5320 175.4199 624 C 4.5717 8.4953 118.6070 58.1924 31.5484 174.5095 625 T 3.9027 8.4928 115.4968 65.6173 66.8788 175.8568 626 L 4.1845 7.8123 119.6448 57.2117 41.8547 178.7761 627 C 4.2123 8.1158 116.5741 62.2207 28.1760 175.5834 628 F 4.0854 8.3040 122.5956 61.4836 39.0501 177.3636 629 I 3.6855 7.6485 119.4505 64.1283 36.9171 178.0839 630 E 3.9124 8.0200 120.3301 59.1039 29.3125 178.3102 631 Y 4.1288 7.7983 119.8892 60.5902 38.6460 177.5430 632 R 3.4424 7.8680 118.8148 59.0710 30.1273 178.0930 633 E 4.0348 7.7637 117.7484 59.3864 29.6770 178.5118 634 N 4.3759 7.6891 114.7755 55.6940 38.6506 175.0457 635 K 3.9480 8.2171 125.4979 56.3510 32.2295 175.9012 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 605 S 8.19 4.43 0.00 4.09 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 0.00 606 K 7.57 3.59 0.00 1.43 1.49 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 0.99 7.81 607 C 8.70 4.30 0.00 3.11 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 0.00 608 R 7.94 3.43 0.00 1.29 1.01 0.00 2.97 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 609 K 7.60 4.00 0.00 2.01 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.44 7.81 610 A 8.37 3.82 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 0.00 611 G 7.62 4.01 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 0.00 0.00 0.00 612 C 7.59 4.78 0.00 2.98 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 0.00 613 V 8.16 3.73 1.66 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 0.74 0.00 0.00 0.71 0.00 0.00 614 Y 7.50 4.67 0.00 3.03 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 0.00 615 F 9.23 4.77 0.00 2.89 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 0.00 616 G 8.65 4.17 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 0.00 617 T 8.13 4.70 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 1.22 0.00 0.00 618 P 0.00 4.26 0.00 2.20 2.09 0.00 3.64 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 2.11 2.12 0.00 619 E 8.11 4.10 0.00 1.86 1.93 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 2.28 2.30 0.00 620 N 8.26 3.91 0.00 2.75 2.51 0.00 0.00 6.95 6.66 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 0.00 621 K 8.95 3.66 0.00 2.36 2.13 0.00 2.14 0.00 0.00 1.99 0.00 0.00 3.16 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.58 7.81 622 G 8.33 3.80 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 0.00 0.00 0.00 623 F 7.90 4.85 0.00 3.38 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 0.00 624 C 8.50 4.57 0.00 3.25 3.27 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 0.00 625 T 8.49 3.90 4.25 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 1.18 0.00 0.00 626 L 7.81 4.18 0.00 1.68 1.67 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 627 C 8.12 4.21 0.00 3.33 3.07 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 0.00 628 F 8.30 4.09 0.00 3.18 3.35 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 0.00 0.00 0.00 0.00 629 I 7.65 3.69 1.86 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 1.43 0.64 0.87 0.00 0.00 630 E 8.02 3.91 0.00 2.19 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 2.28 2.29 0.00 631 Y 7.80 4.13 0.00 2.57 2.64 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 0.00 0.00 0.00 632 R 7.87 3.44 0.00 1.19 1.57 0.00 3.19 0.00 0.00 2.83 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 633 E 7.76 4.03 0.00 2.14 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 2.29 2.33 0.00 634 N 7.69 4.38 0.00 2.84 2.84 0.00 0.00 7.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 K 8.22 3.95 0.00 1.24 1.40 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.19 7.81