NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 613 G 3.7569 8.3501 109.7370 46.1512 0.0000 174.7085 614 A 3.3080 8.3212 120.9122 53.4964 15.6381 173.5794 615 M 3.0558 8.2326 120.3158 54.9940 30.1132 174.4706 616 G 4.4178 7.8889 119.2835 45.8112 0.0000 172.0369 617 S 4.0952 8.3010 115.4517 59.7508 62.2875 175.3205 618 L 4.2481 8.5847 126.4861 57.9829 43.1824 176.7081 619 E 3.9376 8.2784 117.9320 59.5627 29.2917 179.0752 620 A 3.9977 7.9825 119.9233 55.1631 18.5676 179.4722 621 R 3.8531 7.9198 116.5833 59.8686 30.2663 178.0870 622 M 4.2446 8.4795 117.3475 57.3627 32.0564 177.4862 623 K 4.1533 7.8452 119.3073 59.3546 32.8058 178.3165 624 Q 4.0214 8.4523 118.3959 58.1662 28.5032 178.4982 625 F 3.8524 8.1139 121.7734 60.9330 39.4288 177.0845 626 K 3.8937 7.7801 117.6757 59.6508 32.1961 177.7591 627 D 4.4342 8.3698 118.2285 57.7076 41.2129 177.6577 628 M 3.8548 7.6796 118.1731 58.8768 32.0509 178.1053 629 L 3.6861 7.6996 118.8351 57.3558 41.5030 178.5150 630 L 4.3770 7.5386 117.2456 55.9432 42.2440 178.0522 631 E 4.1350 7.8529 117.8356 59.8284 29.9434 178.2206 632 R 4.4728 7.8068 114.2225 54.6192 31.8071 174.3156 633 G 3.6080 7.8708 109.9145 45.7577 0.0000 173.9754 634 V 4.0639 8.7946 129.8934 66.3323 30.4647 178.1958 635 S 3.3305 6.8737 113.3875 57.6142 60.9513 172.9128 636 A 4.0363 7.6644 127.2893 52.8498 18.1150 177.9741 637 F 5.0332 7.2302 111.5178 55.8838 38.1550 172.4616 638 S 4.6872 7.6148 114.9886 57.6564 67.4807 173.9458 639 T 4.4548 8.4254 114.7702 61.4239 68.4998 175.1108 640 W 4.0530 9.1843 135.0000 60.5548 30.6800 177.4294 641 E 3.9263 8.1075 118.8919 59.1091 29.0076 178.6790 642 K 3.9030 7.9596 118.0265 59.5939 32.1634 178.9859 643 E 3.7959 8.1259 118.3897 59.3760 29.2295 178.1167 644 L 3.2908 7.5440 120.2961 56.4657 40.9808 178.5230 645 H 4.0421 7.8204 114.4029 59.2838 28.2592 177.2058 646 K 3.6976 6.9205 120.1271 58.7618 32.1044 178.2147 647 I 4.0241 7.0039 111.4182 63.1602 38.3343 178.1772 648 V 2.9377 7.3814 113.5294 63.8797 31.3421 178.0633 649 F 3.9007 7.7364 115.5292 58.2918 38.9501 174.4798 650 D 5.0537 8.2040 119.2292 51.5776 43.7300 174.5951 651 P 4.6200 0.0000 0.0000 64.0382 31.9481 177.6217 652 R 4.2755 7.8208 114.5381 57.4913 29.8521 176.7496 653 Y 4.0929 7.6242 118.7194 59.8581 38.8981 175.5938 654 L 4.4595 7.4870 118.7263 54.6844 41.5133 177.9377 655 L 4.2289 7.4924 119.4620 56.8570 42.3599 177.4268 656 L 4.0766 7.2508 121.8076 54.6558 42.9472 177.0198 657 N 4.5935 8.2200 118.5579 51.9963 38.8640 174.5588 658 P 4.1621 0.0000 0.0000 64.5768 31.5700 177.9972 659 K 3.8973 7.5370 118.9400 58.7707 32.6910 177.9848 660 E 3.9424 7.8001 118.2061 58.9990 29.4272 179.1754 661 R 3.6051 8.3516 119.4091 58.6255 30.1490 178.3371 662 K 3.7546 7.2781 120.4513 59.2055 32.1371 178.8619 663 Q 3.9546 7.8020 118.0647 59.4182 28.7296 178.5166 664 V 3.7323 7.6072 120.1042 65.4961 31.3297 177.8315 665 F 4.6152 8.2163 120.0509 61.5852 39.4828 176.8813 666 D 4.0494 8.1148 117.4172 57.3325 40.9336 178.2334 667 Q 4.0556 8.6058 119.1473 58.5697 28.6251 177.9263 668 Y 4.0468 7.8836 120.2385 60.9287 39.0547 178.1333 669 V 3.2797 8.0011 113.5772 63.9454 31.5111 178.5064 670 K 3.8265 7.7116 119.1864 59.6398 32.0324 178.8678 671 T 3.7423 7.6292 112.7303 65.0383 67.3187 176.0615 672 R 3.6344 7.8290 120.6371 59.3271 29.9355 178.0164 673 A 3.9612 7.4847 119.7339 55.4925 18.4251 179.1128 674 E 3.8722 7.8990 116.2450 60.1090 29.6170 179.6360 675 E 4.0090 8.0381 118.3091 59.0918 29.8913 178.8471 676 E 4.4826 8.4830 118.6877 57.8616 29.6450 178.7583 677 R 4.1509 8.1161 120.7057 59.1008 30.3741 178.2434 678 R 4.0002 7.5816 113.8851 59.8889 29.3211 177.6430 679 E 4.2066 8.2463 119.7241 57.1406 29.1216 179.0104 680 K 4.4022 7.8471 115.3482 56.0060 33.9874 176.9699 681 K 3.8108 8.6142 114.6426 55.4550 29.9921 175.0626 682 N 4.2385 7.4864 115.9257 54.3005 39.3664 173.9690 683 K 4.1186 8.2554 123.2972 56.8288 32.2054 176.7090 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 613 G 8.35 3.76 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 0.00 0.00 0.00 614 A 8.32 3.31 1.35 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 0.00 0.00 615 M 8.23 3.06 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 616 G 7.89 4.42 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 0.00 617 S 8.30 4.10 0.00 3.87 3.68 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 0.00 618 L 8.58 4.25 0.00 1.74 1.64 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 619 E 8.28 3.94 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 620 A 7.98 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.85 0.00 1.91 2.09 0.00 3.18 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 622 M 8.48 4.24 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 623 K 7.85 4.15 0.00 2.09 1.96 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.54 7.81 624 Q 8.45 4.02 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 625 F 8.11 3.85 0.00 3.29 3.06 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 0.00 0.00 0.00 626 K 7.78 3.89 0.00 2.04 1.91 0.00 1.99 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.72 7.81 627 D 8.37 4.43 0.00 2.89 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 0.00 628 M 7.68 3.85 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 629 L 7.70 3.69 0.00 1.44 0.30 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 630 L 7.54 4.38 0.00 1.73 1.84 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 631 E 7.85 4.14 0.00 2.05 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 2.50 2.44 0.00 632 R 7.81 4.47 0.00 1.63 1.86 0.00 3.43 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 633 G 7.87 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 0.00 634 V 8.79 4.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.76 0.00 0.00 635 S 6.87 3.33 0.00 3.95 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 0.00 636 A 7.66 4.04 0.95 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 0.00 0.00 637 F 7.23 5.03 0.00 3.06 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 0.00 638 S 7.61 4.69 0.00 4.02 3.95 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 0.00 639 T 8.43 4.45 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 1.30 0.00 0.00 640 W 9.18 4.05 0.00 2.83 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 0.00 641 E 8.11 3.93 0.00 2.09 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 0.00 2.31 2.53 0.00 642 K 7.96 3.90 0.00 1.99 1.83 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.57 7.81 643 E 8.13 3.80 0.00 1.72 1.78 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 2.50 2.65 0.00 644 L 7.54 3.29 0.00 1.50 1.22 0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 645 H 7.82 4.04 0.00 3.46 3.61 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 K 6.92 3.70 0.00 1.62 1.76 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.45 7.81 647 I 7.00 4.02 1.66 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.47 0.67 0.00 0.00 648 V 7.38 2.94 1.61 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 -0.67 0.00 0.00 0.85 0.00 0.00 649 F 7.74 3.90 0.00 2.84 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 0.00 650 D 8.20 5.05 0.00 2.80 2.46 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 0.00 651 P 0.00 4.62 0.00 2.28 2.29 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 652 R 7.82 4.28 0.00 1.95 2.10 0.00 2.97 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.51 0.00 653 Y 7.62 4.09 0.00 2.83 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 0.00 654 L 7.49 4.46 0.00 1.78 1.65 1.00 1.44 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 0.00 655 L 7.49 4.23 0.00 2.02 1.68 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 656 L 7.25 4.08 0.00 1.06 1.39 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 657 N 8.22 4.59 0.00 2.68 2.68 0.00 0.00 6.86 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 0.00 658 P 0.00 4.16 0.00 2.10 2.02 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 659 K 7.54 3.90 0.00 1.75 1.69 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 660 E 7.80 3.94 0.00 1.88 1.88 0.00 0.00 0.00 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 2.25 0.00 661 R 8.35 3.61 0.00 1.67 1.74 0.00 3.54 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 662 K 7.28 3.75 0.00 2.15 1.86 0.00 1.34 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 663 Q 7.80 3.95 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 664 V 7.61 3.73 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 1.22 0.00 0.00 0.93 0.00 0.00 665 F 8.22 4.62 0.00 3.35 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 0.00 666 D 8.11 4.05 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 667 Q 8.61 4.06 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 668 Y 7.88 4.05 0.00 3.26 3.25 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 0.00 669 V 8.00 3.28 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 0.49 0.00 0.00 0.65 0.00 0.00 670 K 7.71 3.83 0.00 1.89 1.88 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.55 7.81 671 T 7.63 3.74 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 1.25 0.00 0.00 672 R 7.83 3.63 0.00 1.16 1.31 0.00 3.03 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.63 0.00 673 A 7.48 3.96 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 0.00 674 E 7.90 3.87 0.00 2.22 2.03 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 2.32 2.51 0.00 675 E 8.04 4.01 0.00 2.05 1.95 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 2.53 2.43 0.00 676 E 8.48 4.48 0.00 2.25 2.22 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 2.56 2.34 0.00 677 R 8.12 4.15 0.00 2.23 1.96 0.00 3.15 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 678 R 7.58 4.00 0.00 2.00 2.06 0.00 3.12 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 679 E 8.25 4.21 0.00 2.07 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 0.00 2.33 2.56 0.00 680 K 7.85 4.40 0.00 1.74 1.73 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.38 7.81 681 K 8.61 3.81 0.00 1.89 1.82 0.00 1.88 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.31 7.81 682 N 7.49 4.24 0.00 2.99 2.89 0.00 0.00 7.29 6.43 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 0.00 683 K 8.26 4.12 0.00 1.82 1.64 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81