NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.2210 8.1476 120.3255 55.3197 33.4108 173.5685 *513 D 4.5234 8.0857 118.1439 53.8351 40.8843 174.8214 514 N 4.0539 8.3731 113.6849 54.2378 35.7123 173.7750 515 L 4.7444 7.2877 116.9859 53.5585 44.5798 177.9388 516 V 4.3786 8.4571 120.3089 61.0649 34.7144 173.9102 517 L 4.8434 8.5752 129.7666 53.9930 43.1953 175.2212 518 I 4.5187 9.0390 130.2523 60.1909 39.5133 175.5371 519 R 5.1421 8.3823 126.2913 55.4637 32.9051 172.2244 520 M 4.7499 8.6566 123.4572 54.7980 36.2062 174.0005 521 K 5.1989 8.7740 129.6211 52.7324 34.1069 171.6837 522 P 4.0757 0.0000 0.0000 61.4420 32.2927 175.1429 523 D 4.1617 8.1573 120.0309 55.4734 39.2278 177.3567 *525 N 4.5282 8.3421 121.5460 51.5924 41.1911 175.6323 526 G 3.7688 8.2364 105.7091 45.2708 0.0000 173.2157 527 R 4.4769 8.2402 118.1438 54.0538 32.7389 176.7672 528 F 4.6022 8.7186 117.7734 57.2819 41.4674 177.4386 529 G 4.4109 9.1887 107.9301 45.8298 0.0000 172.2024 530 F 5.5838 7.6290 112.4786 54.8849 41.2984 173.7108 531 N 5.0674 9.2569 117.3784 51.8320 41.2236 174.3483 532 V 5.1426 8.3247 113.9770 59.7055 35.2125 175.0692 533 K 4.5735 9.2910 122.9709 55.1708 35.8517 176.1927 534 G 4.6291 7.3676 107.2509 45.9132 0.0000 171.9874 535 G 4.3774 8.2484 104.0283 42.8571 0.0000 174.5653 536 Y 4.1517 8.9876 121.6999 60.5197 38.7932 177.9629 537 D 4.3067 8.2155 117.6003 55.8144 39.5600 176.8245 538 Q 4.1522 7.9287 119.1595 55.8075 29.2124 176.1059 539 K 3.8508 7.5984 118.5079 55.4631 29.8277 180.3266 540 M 5.1156 7.5958 117.1926 53.3093 36.8553 173.8314 541 P 4.6835 0.0000 0.0000 62.7755 33.4552 175.4277 542 V 4.4186 8.3800 121.2049 62.8645 32.5611 174.6401 543 I 5.0803 8.6633 129.0493 59.2327 40.9260 175.1951 544 V 4.4161 8.9701 127.4322 63.1833 31.7283 176.3392 545 S 4.9227 8.8645 122.6650 58.9961 64.6539 174.4484 546 R 4.7463 7.6712 119.4022 55.3381 33.4545 173.3996 547 V 4.8832 8.8677 126.0301 60.9986 33.2833 174.8289 548 A 4.3951 8.9098 130.7358 50.6694 19.7571 175.0815 549 P 4.3371 0.0000 0.0000 64.1665 31.8782 177.2876 550 G 3.9401 9.8911 111.1225 46.1168 0.0000 174.1461 551 T 4.4490 7.2956 110.2345 59.7046 71.6855 173.6854 552 P 4.2845 0.0000 0.0000 66.2098 31.2304 178.8049 553 A 4.0912 8.4209 119.0318 54.9357 17.9942 179.2217 554 D 4.2919 8.0177 115.8156 56.8949 41.5898 177.3741 555 L 4.4681 7.8679 116.9551 54.1874 42.8879 176.7546 556 C 4.3817 7.5133 116.9674 58.2913 30.5645 173.5014 557 V 4.6664 7.9222 117.8305 58.0583 33.9729 175.1182 558 P 4.4440 0.0000 0.0000 61.5586 31.8766 176.1297 559 R 4.6248 7.5368 121.5234 55.6882 30.9260 175.5638 560 L 4.2977 8.0105 127.6225 54.5373 42.8857 175.5927 561 N 5.1593 8.8440 123.3744 51.0477 42.0227 174.2675 562 E 4.2974 8.6741 121.6599 57.9268 30.1341 177.6193 563 G 4.0207 9.2061 112.0314 45.1702 0.0000 173.7203 564 D 4.6092 7.8718 120.4924 54.4891 42.2179 175.0900 565 Q 4.9542 8.7233 124.4370 54.3497 30.8827 174.6512 566 V 3.9430 8.4443 127.8332 63.3623 31.7227 174.6506 567 V 4.2543 9.1945 127.1962 64.1243 33.6397 174.9972 568 L 5.0791 7.7672 119.4313 52.7992 45.3022 175.2816 569 I 4.2886 8.3945 123.2399 59.5006 39.7433 175.7455 570 N 4.1021 9.9996 127.7608 54.1717 36.5860 175.7836 571 G 3.9064 8.3154 105.8329 45.1762 0.0000 173.8810 572 R 4.0306 7.5976 121.0708 54.9549 30.7590 174.8027 573 D 4.5746 8.5846 125.3860 54.4369 41.4671 175.3654 574 I 4.4270 8.1546 119.5389 60.5162 38.0269 177.2476 575 A 4.0438 8.3200 125.8915 55.1160 18.1715 178.8036 576 E 4.3603 8.0269 112.9707 56.3001 30.3382 175.2052 577 H 5.0136 8.0885 116.5065 54.2773 30.8991 175.0550 578 T 4.7060 8.7046 113.4421 61.3039 70.8564 175.2195 579 H 4.1647 9.3156 121.4930 60.0817 29.9346 177.1924 580 D 4.3835 8.1212 119.5926 57.1941 40.6442 178.7105 581 Q 3.7249 8.0052 118.6611 58.6095 28.7746 178.6343 582 V 3.7731 8.0984 119.6895 66.0847 31.5866 178.1690 583 V 3.5406 7.6433 117.9437 66.0398 31.3185 177.8011 584 L 3.9495 7.6966 119.6309 58.0195 41.6347 178.9184 585 F 4.5197 7.6745 117.2219 60.4606 39.1303 177.5045 586 I 3.9479 7.8462 119.3562 64.4671 36.8138 178.7086 587 K 4.2347 8.0037 117.4849 58.8645 31.9233 178.4445 588 A 4.3755 7.8087 118.7636 52.9299 18.6536 177.7117 589 S 4.2605 7.8759 117.0487 58.8652 63.9131 173.8997 *596 E 4.3170 8.2455 115.7245 56.1550 30.8314 170.5152 597 L 4.5714 9.2272 125.3105 54.8750 43.8935 175.6778 598 M 4.7713 9.1439 127.2914 53.6764 33.4409 171.3145 599 L 5.0940 8.6722 124.5303 51.7591 45.3140 175.3148 600 L 4.9730 8.4722 125.7367 53.6635 43.8081 175.4553 601 V 4.9063 8.6817 119.6919 59.4516 35.6243 174.9271 602 R 4.6459 8.8934 125.5496 54.4785 30.7656 174.0566 603 P 4.9711 0.0000 0.0000 62.4265 32.0894 176.2172 604 N 4.4724 9.5339 119.6001 52.7480 37.8178 175.4314 605 A 4.1006 8.4179 122.7288 54.8818 18.9343 179.3138 606 V 3.7779 7.9603 115.0296 64.6256 31.9650 175.7613 607 E 4.6680 8.5521 119.7384 54.1749 31.6550 174.8661 608 S 4.7946 8.5127 121.2378 56.9402 66.2028 173.4580 609 T 4.4811 8.2828 120.2496 62.5658 69.6897 175.4651 610 V 4.0304 8.0754 117.5396 61.6600 32.5974 175.4487 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 0 M 8.15 4.22 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 *513 D 8.09 4.52 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 N 8.37 4.05 0.00 2.78 2.83 0.00 0.00 6.84 7.85 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 0.00 515 L 7.29 4.74 0.00 1.50 1.56 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 516 V 8.46 4.38 2.05 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 1.00 0.00 0.00 0.91 0.00 0.00 517 L 8.58 4.84 0.00 1.64 1.53 0.95 1.00 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 0.00 518 I 9.04 4.52 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.46 0.80 0.00 0.00 519 R 8.38 5.14 0.00 1.55 1.65 0.00 3.30 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 520 M 8.66 4.75 0.00 1.98 1.85 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 2.61 2.82 0.00 521 K 8.77 5.20 0.00 1.56 1.55 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 0.98 7.81 522 P 0.00 4.08 0.00 1.83 1.12 0.00 3.50 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 523 D 8.16 4.16 0.00 2.79 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 *525 N 8.34 4.53 0.00 2.83 2.90 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 G 8.24 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 0.00 0.00 0.00 527 R 8.24 4.48 0.00 2.04 1.72 0.00 3.08 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 528 F 8.72 4.60 0.00 3.16 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 G 9.19 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 F 7.63 5.58 0.00 3.13 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 0.00 531 N 9.26 5.07 0.00 2.78 2.79 0.00 0.00 7.03 8.01 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 0.00 532 V 8.32 5.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 533 K 9.29 4.57 0.00 1.72 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 534 G 7.37 4.63 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 0.00 0.00 0.00 535 G 8.25 4.38 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 0.00 536 Y 8.99 4.15 0.00 3.06 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 0.00 537 D 8.22 4.31 0.00 2.82 2.85 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 0.00 538 Q 7.93 4.15 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 539 K 7.60 3.85 0.00 1.93 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.26 7.81 540 M 7.60 5.12 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 541 P 0.00 4.68 0.00 2.14 2.20 0.00 3.70 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 2.09 1.98 0.00 542 V 8.38 4.42 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 1.10 0.00 0.00 1.04 0.00 0.00 543 I 8.66 5.08 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.93 0.00 0.00 544 V 8.97 4.42 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 0.84 0.00 0.00 0.86 0.00 0.00 545 S 8.86 4.92 0.00 3.95 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 0.00 546 R 7.67 4.75 0.00 1.96 1.81 0.00 3.37 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 547 V 8.87 4.88 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 0.91 0.00 0.00 1.01 0.00 0.00 548 A 8.91 4.40 1.34 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 0.00 0.00 549 P 0.00 4.34 0.00 2.07 2.02 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 550 G 9.89 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 0.00 0.00 0.00 551 T 7.30 4.45 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 552 P 0.00 4.28 0.00 2.55 2.48 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 553 A 8.42 4.09 1.46 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 0.00 0.00 554 D 8.02 4.29 0.00 2.89 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 0.00 555 L 7.87 4.47 0.00 1.69 1.71 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 556 C 7.51 4.38 0.00 3.18 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 0.00 557 V 7.92 4.67 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 558 P 0.00 4.44 0.00 2.00 2.00 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 559 R 7.54 4.62 0.00 1.90 1.81 0.00 3.10 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 560 L 8.01 4.30 0.00 1.44 1.55 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 561 N 8.84 5.16 0.00 2.96 2.65 0.00 0.00 6.60 7.80 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 0.00 562 E 8.67 4.30 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 563 G 9.21 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 564 D 7.87 4.61 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 Q 8.72 4.95 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 566 V 8.44 3.94 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 0.76 0.00 0.00 0.95 0.00 0.00 567 V 9.19 4.25 2.18 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 0.90 0.00 0.00 0.98 0.00 0.00 568 L 7.77 5.08 0.00 1.55 1.44 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 569 I 8.39 4.29 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.91 0.00 0.00 570 N 10.00 4.10 0.00 2.72 2.81 0.00 0.00 7.23 7.22 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 0.00 571 G 8.32 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 0.00 572 R 7.60 4.03 0.00 1.53 1.52 0.00 2.21 0.00 0.00 2.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.00 573 D 8.58 4.57 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 4.43 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.91 0.00 0.00 575 A 8.32 4.04 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 0.00 576 E 8.03 4.36 0.00 1.66 1.32 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 0.00 2.00 2.19 0.00 577 H 8.09 5.01 0.00 3.52 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 T 8.70 4.71 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 1.33 0.00 0.00 579 H 9.32 4.16 0.00 3.39 3.40 0.00 5.78 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 0.00 580 D 8.12 4.38 0.00 2.72 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 0.00 581 Q 8.01 3.72 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 582 V 8.10 3.77 2.27 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 1.06 0.00 0.00 1.11 0.00 0.00 583 V 7.64 3.54 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 0.89 0.00 0.00 0.78 0.00 0.00 584 L 7.70 3.95 0.00 1.82 1.45 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 585 F 7.67 4.52 0.00 3.25 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 0.00 586 I 7.85 3.95 2.04 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 1.60 1.26 0.92 0.00 0.00 587 K 8.00 4.23 0.00 1.76 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.58 7.81 588 A 7.81 4.38 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 0.00 589 S 7.88 4.26 0.00 4.24 4.02 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 0.00 0.00 0.00 *596 E 8.25 4.32 0.00 2.01 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 2.13 1.88 0.00 597 L 9.23 4.57 0.00 1.26 1.32 0.78 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 598 M 9.14 4.77 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 599 L 8.67 5.09 0.00 1.43 1.45 0.56 0.12 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 0.00 600 L 8.47 4.97 0.00 1.74 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 601 V 8.68 4.91 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 0.54 0.00 0.00 0.93 0.00 0.00 602 R 8.89 4.65 0.00 1.85 1.81 0.00 3.09 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 603 P 0.00 4.97 0.00 2.10 2.02 0.00 3.81 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 1.97 1.95 0.00 604 N 9.53 4.47 0.00 2.78 2.95 0.00 0.00 6.90 7.47 0.00 0.00 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 A 8.42 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.78 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 0.80 0.00 0.00 0.93 0.00 0.00 607 E 8.55 4.67 0.00 1.92 1.77 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 2.19 2.23 0.00 608 S 8.51 4.79 0.00 3.84 3.70 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 0.00 609 T 8.28 4.48 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 1.20 0.00 0.00 610 V 8.08 4.03 2.08 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 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.