NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 622 K 3.9983 8.3149 120.1141 56.4443 32.3146 174.7342 623 Q 4.4086 7.7800 122.3520 53.8167 31.2751 173.8444 624 Y 4.6086 8.0424 116.1841 55.5593 43.0131 175.2410 625 D 4.6106 8.6680 123.1859 53.6927 43.5480 176.8972 626 R 4.0150 8.8155 127.3647 60.5397 29.8877 179.3581 627 E 4.0690 8.3785 116.4432 60.9805 30.0134 180.3582 628 F 4.4968 8.3322 121.0767 61.2772 39.6478 176.9632 629 L 4.0932 8.4508 118.7340 58.0745 41.3618 179.6962 630 L 4.0710 8.1995 118.4925 57.5707 41.2806 179.0578 631 D 4.3471 7.7032 117.3738 56.1738 40.7410 177.4866 632 F 4.3159 7.6958 116.4532 57.3836 39.4979 176.4835 633 Q 3.8022 7.6325 120.1260 58.2777 28.7917 176.8730 634 F 4.9247 7.6197 112.2425 57.1129 40.6575 175.1302 635 M 4.2146 8.1007 125.2523 55.7570 31.6856 176.0454 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 622 K 8.31 4.00 0.00 1.72 1.77 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.37 7.81 623 Q 7.78 4.41 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 624 Y 8.04 4.61 0.00 2.92 2.86 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 0.00 625 D 8.67 4.61 0.00 2.77 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 0.00 626 R 8.82 4.01 0.00 1.97 1.98 0.00 3.27 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 627 E 8.38 4.07 0.00 2.12 1.86 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 2.26 2.19 0.00 628 F 8.33 4.50 0.00 3.29 3.46 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 0.00 0.00 0.00 0.00 629 L 8.45 4.09 0.00 1.97 1.74 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 630 L 8.20 4.07 0.00 1.86 1.73 0.99 0.95 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 0.00 631 D 7.70 4.35 0.00 2.49 2.23 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 0.00 632 F 7.70 4.32 0.00 3.03 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 0.00 633 Q 7.63 3.80 0.00 1.65 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 634 F 7.62 4.92 0.00 3.03 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 0.00 635 M 8.10 4.21 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00