NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1553 A 4.4278 8.3645 123.5805 52.0043 19.5354 176.4975 1554 K 4.5672 9.0446 124.0686 51.5944 36.0984 169.9523 1555 P 4.6415 0.0000 0.0000 63.9410 32.8792 176.0755 1556 R 4.8250 9.2136 120.6539 54.5389 33.5609 174.3917 1557 N 5.1167 9.7232 122.7783 52.4411 39.9599 174.1035 1558 L 4.9116 8.9382 124.8318 53.0630 44.7166 175.9062 1559 N 5.1311 9.0917 121.5220 52.2017 39.5025 173.6920 1560 V 4.8517 8.8309 125.5083 61.0671 33.7348 174.6357 1561 S 5.1318 9.0047 123.0121 57.0593 65.5324 173.0677 1562 F 4.5443 8.5299 124.8899 56.5703 39.8185 175.1157 1563 Q 4.2961 8.6367 125.7088 56.3246 29.5397 175.3738 1564 G 3.8820 8.4066 112.0141 45.8393 0.0000 173.4858 1565 C 4.7911 7.5953 112.5090 55.8481 32.9263 173.2912 1566 G 3.6875 8.3824 109.3715 44.8788 0.0000 173.2338 *1568 D 4.4797 8.3482 124.2084 53.9401 42.0949 175.5757 1569 S 4.7995 8.4805 116.8380 58.8292 63.9032 173.6295 1570 L 4.7309 8.8898 121.6956 52.8914 45.2829 175.6213 1571 S 4.8821 8.5243 117.5268 57.6645 63.5235 173.2680 1572 V 4.3535 8.8942 127.1778 61.0017 34.4555 173.9566 1573 R 4.7996 8.6803 128.2692 54.9842 30.6502 174.4399 1574 A 4.5527 8.9824 130.8034 52.0021 22.0875 178.0602 *1576 D 4.2112 8.8817 112.6014 55.8949 42.7251 177.0609 1577 T 4.2580 7.7468 105.9912 61.9162 69.8796 174.7075 1578 D 4.6113 7.8983 124.0471 54.5467 41.5010 176.1905 1579 T 4.5778 8.6366 115.8685 61.1505 70.7794 175.7630 1580 L 4.0303 8.5420 121.5642 57.8005 41.5863 179.9376 1581 T 3.8883 8.4311 116.4659 66.7881 68.3963 176.6160 1582 Q 4.2061 8.0128 119.9342 58.8181 28.7020 178.9762 1583 V 3.5757 8.0563 119.6293 65.9737 31.5883 178.2138 1584 K 3.9633 8.3254 118.4432 59.5504 31.8352 179.0478 1585 E 4.1467 8.5889 119.1525 59.5782 29.5164 179.7119 1586 K 4.0541 8.1853 118.4333 59.3943 32.0576 179.6062 1587 I 3.7615 7.9236 120.1355 64.4521 37.0370 178.5378 1588 L 4.0283 8.4779 120.2725 57.7619 40.9278 179.3639 1589 E 3.8546 8.5371 118.5387 59.1803 29.1542 179.3861 1590 A 3.7411 7.5032 119.5652 55.3028 18.5969 179.4949 1591 F 4.2581 8.0904 114.9755 59.9471 39.2664 176.9269 1592 C 4.4031 7.7613 115.0000 58.9745 27.9136 175.5198 1593 K 4.0505 7.1622 122.7541 60.1942 31.8974 177.3435 1594 N 4.8127 8.1117 113.4585 52.7284 38.7467 174.5289 1595 V 4.5927 7.7491 118.4977 59.7562 34.1491 173.6007 1596 P 4.4119 0.0000 0.0000 63.0366 31.6650 176.7897 1597 Y 2.4024 8.4908 122.4126 59.9437 38.8103 178.0656 1598 S 4.0725 7.9894 113.0786 60.2689 63.0668 174.5864 1599 Q 4.5396 7.7701 118.2815 55.2283 29.4417 175.8961 1600 W 4.4797 7.6412 118.6231 55.6388 29.6775 174.5746 1601 P 4.4333 0.0000 0.0000 62.9845 31.6308 176.2856 1602 R 4.5847 8.8920 120.0224 54.3108 32.1418 177.4519 1603 A 4.0224 8.8830 124.4621 56.4034 18.2099 180.3522 1604 E 4.1903 8.1328 108.9771 57.8424 30.1199 178.9711 1605 D 4.8162 8.5210 116.9223 55.5499 41.5063 176.1969 1606 V 4.9562 7.3264 111.9983 59.6836 35.5075 174.7563 1607 D 4.8682 8.7529 123.4285 52.9485 42.9770 175.6705 1608 L 4.7587 8.4371 125.3630 53.9353 44.8755 175.3009 1609 E 5.1463 9.2672 124.4263 54.3851 33.4402 171.0392 1610 W 4.7185 8.9331 134.1006 55.1013 33.0387 175.0806 1611 F 4.6138 7.8682 126.0544 56.4153 36.7343 175.4117 1612 A 2.6182 7.1073 128.8735 54.2498 18.5052 177.8684 1613 S 4.5916 7.3402 112.1317 57.1042 66.3263 176.9351 1614 S 4.2060 8.7620 114.7352 62.9033 62.0559 171.6402 1615 T 4.4348 7.8186 111.0156 61.0201 70.0836 177.5769 1616 Q 4.7595 7.6848 121.3235 54.5437 31.5544 179.9306 1617 S 4.8500 8.5881 118.5558 55.5257 66.1816 172.9305 1618 Y 5.0762 8.4387 120.0755 56.3249 40.7352 174.8705 1619 I 4.4104 8.6186 125.3367 60.9966 38.2476 175.1962 1620 L 4.1069 8.8352 128.0736 53.2445 42.4229 176.1757 1621 R 4.7583 8.5765 122.1570 54.2335 33.7618 175.9357 1622 D 4.5564 9.0205 120.2764 57.0180 41.0296 176.8208 1623 L 5.1509 7.6370 116.7300 52.8543 44.8007 175.5565 1624 D 4.6114 8.6631 121.7061 53.0341 41.8593 175.2767 1625 D 4.5990 8.7444 118.1021 56.0048 40.7976 176.9360 1626 T 4.3940 8.3926 109.3676 61.4218 69.4912 175.2068 1627 S 4.5264 7.6555 119.3850 57.9055 63.6466 174.4772 1628 V 3.6943 8.5106 126.5109 63.9522 32.5516 175.3487 1629 V 4.8435 8.4897 129.0704 60.3361 33.9079 173.2985 1630 E 4.4786 9.4607 124.3380 54.7637 32.9205 172.9195 1631 D 4.3154 9.9219 124.3263 53.3465 37.1376 171.2221 1632 G 4.0639 8.5423 107.0238 45.9180 0.0000 173.9814 1633 R 4.6800 7.6429 118.4953 53.7940 33.1964 175.3863 1634 K 4.4946 8.6490 123.4322 56.9922 32.8608 177.1115 1635 K 4.6412 8.4624 126.3984 53.3152 33.5254 175.8840 1636 L 4.2547 8.3946 123.7104 54.4469 41.9404 176.8969 1637 N 4.4253 9.8575 122.8009 53.5437 39.4389 174.5841 1638 T 4.5709 8.1895 112.3792 59.5119 72.2217 174.8985 1639 L 3.8015 8.5635 122.7280 58.2454 42.3793 179.0287 1640 A 4.0974 8.3699 120.5842 55.0568 17.9040 178.9059 1641 H 3.9477 7.7717 116.2277 59.7119 30.0007 176.3756 1642 Y 4.2628 7.3618 114.4918 57.3219 38.6734 175.2607 1643 K 3.7381 7.8393 118.8805 57.2560 30.2943 176.0599 1644 I 2.8841 7.0162 117.5055 60.2456 37.3156 175.4057 1645 P 4.4967 0.0000 0.0000 61.5507 32.3504 175.1471 1646 E 3.8852 8.4562 120.0980 57.4617 29.9436 176.6602 1647 G 3.8757 8.8122 112.8403 46.0393 0.0000 173.4981 1648 A 4.2544 7.4516 121.2062 51.9999 19.3293 177.7302 1649 S 4.9488 8.8556 117.5344 57.8265 64.3178 173.3424 1650 L 4.6492 8.9200 124.7161 52.9299 45.4349 175.8818 1651 A 5.6702 7.8933 122.9026 49.3016 22.8640 174.7603 *1653 S 4.4544 8.4304 109.8780 58.5543 64.5853 173.7981 1654 L 4.7984 8.7153 124.0257 54.6349 42.2486 176.1476 1655 I 4.6653 8.4062 116.0358 58.6015 41.0571 175.0965 1656 D 4.4687 8.5555 120.7648 54.6427 41.1397 175.8668 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 1553 A 8.36 4.43 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 1554 K 9.04 4.57 0.00 1.72 1.53 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.35 7.81 1555 P 0.00 4.64 0.00 2.02 1.99 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 1556 R 9.21 4.83 0.00 1.58 1.73 0.00 3.35 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 1557 N 9.72 5.12 0.00 2.72 2.73 0.00 0.00 6.45 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1558 L 8.94 4.91 0.00 1.49 1.50 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1559 N 9.09 5.13 0.00 2.73 2.81 0.00 0.00 6.35 8.24 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 1560 V 8.83 4.85 2.26 0.00 0.00 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 1561 S 9.00 5.13 0.00 4.02 4.06 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 1562 F 8.53 4.54 0.00 1.51 2.31 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 0.00 1563 Q 8.64 4.30 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 1564 G 8.41 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 1565 C 7.60 4.79 0.00 2.96 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 1566 G 8.38 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1568 D 8.35 4.48 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1569 S 8.48 4.80 0.00 3.81 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 1570 L 8.89 4.73 0.00 0.87 1.13 0.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 1571 S 8.52 4.88 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1572 V 8.89 4.35 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 0.75 0.00 0.00 0.80 0.00 0.00 1573 R 8.68 4.80 0.00 1.84 1.80 0.00 3.22 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 1574 A 8.98 4.55 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1576 D 8.88 4.21 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1577 T 7.75 4.26 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 1.20 0.00 0.00 1578 D 7.90 4.61 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 1579 T 8.64 4.58 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 1.22 0.00 0.00 1580 L 8.54 4.03 0.00 1.89 1.79 1.33 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1581 T 8.43 3.89 4.29 0.00 0.00 0.00 0.00 0.00 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 1582 Q 8.01 4.21 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 1583 V 8.06 3.58 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 1.00 0.00 0.00 0.97 0.00 0.00 1584 K 8.33 3.96 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.66 7.81 1585 E 8.59 4.15 0.00 2.25 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 0.00 2.46 2.60 0.00 1586 K 8.19 4.05 0.00 2.00 1.86 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 1587 I 7.92 3.76 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 1.10 0.00 0.00 1588 L 8.48 4.03 0.00 1.82 1.72 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 1589 E 8.54 3.85 0.00 2.31 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 0.00 2.91 2.89 0.00 1590 A 7.50 3.74 1.16 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 1591 F 8.09 4.26 0.00 3.15 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 1592 C 7.76 4.40 0.00 1.23 1.56 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 1593 K 7.16 4.05 0.00 2.03 2.17 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.31 7.81 1594 N 8.11 4.81 0.00 2.76 2.92 0.00 0.00 6.62 7.68 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 1595 V 7.75 4.59 2.41 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 1.03 0.00 0.00 0.97 0.00 0.00 1596 P 0.00 4.41 0.00 2.28 2.21 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 1597 Y 8.49 2.40 0.00 2.30 2.65 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 0.00 0.00 0.00 0.00 1598 S 7.99 4.07 0.00 3.98 3.96 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 0.00 0.00 0.00 1599 Q 7.77 4.54 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 1600 W 7.64 4.48 0.00 2.92 3.04 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 0.00 0.00 0.00 1601 P 0.00 4.43 0.00 2.16 2.09 0.00 3.74 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 2.21 2.18 0.00 1602 R 8.89 4.58 0.00 1.93 1.89 0.00 3.33 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 1603 A 8.88 4.02 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 1604 E 8.13 4.19 0.00 2.00 1.87 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 2.23 1.90 0.00 1605 D 8.52 4.82 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1606 V 7.33 4.96 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 0.69 0.00 0.00 0.92 0.00 0.00 1607 D 8.75 4.87 0.00 2.52 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 1608 L 8.44 4.76 0.00 1.63 1.40 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 1609 E 9.27 5.15 0.00 1.61 1.76 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 2.13 2.08 0.00 1610 W 8.93 4.72 0.00 3.15 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 1611 F 7.87 4.61 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1612 A 7.11 2.62 -0.27 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 1613 S 7.34 4.59 0.00 3.59 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1614 S 8.76 4.21 0.00 3.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1615 T 7.82 4.43 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 1.21 0.00 0.00 1616 Q 7.68 4.76 0.00 1.68 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.24 1.88 0.00 1617 S 8.59 4.85 0.00 4.06 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1618 Y 8.44 5.08 0.00 3.02 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 1619 I 8.62 4.41 1.92 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 1.37 0.52 0.92 0.00 0.00 1620 L 8.84 4.11 0.00 1.28 1.20 0.73 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 1621 R 8.58 4.76 0.00 2.04 1.85 0.00 3.29 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 1622 D 9.02 4.56 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1623 L 7.64 5.15 0.00 1.60 1.54 0.93 0.97 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 1624 D 8.66 4.61 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1625 D 8.74 4.60 0.00 2.69 2.76 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 1626 T 8.39 4.39 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 1.23 0.00 0.00 1627 S 7.66 4.53 0.00 3.82 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 1628 V 8.51 3.69 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 0.95 0.00 0.00 0.93 0.00 0.00 1629 V 8.49 4.84 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 0.77 0.00 0.00 0.93 0.00 0.00 1630 E 9.46 4.48 0.00 1.78 1.79 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 2.13 2.09 0.00 1631 D 9.92 4.32 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1632 G 8.54 4.06 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 0.00 0.00 0.00 1633 R 7.64 4.68 0.00 1.99 1.78 0.00 3.12 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 1634 K 8.65 4.49 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81 1635 K 8.46 4.64 0.00 1.50 1.57 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.27 7.81 1636 L 8.39 4.25 0.00 1.51 1.63 0.93 1.05 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 1637 N 9.86 4.43 0.00 2.84 2.67 0.00 0.00 6.34 6.93 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 1638 T 8.19 4.57 4.51 0.00 0.00 0.00 0.00 0.00 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 1639 L 8.56 3.80 0.00 1.78 1.86 0.83 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1640 A 8.37 4.10 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 1641 H 7.77 3.95 0.00 3.03 3.38 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1642 Y 7.36 4.26 0.00 2.79 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1643 K 7.84 3.74 0.00 1.93 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.38 7.81 1644 I 7.02 2.88 1.58 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.39 0.39 0.00 0.00 1645 P 0.00 4.50 0.00 2.26 2.23 0.00 3.27 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 1646 E 8.46 3.89 0.00 1.91 1.89 0.00 0.00 0.00 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 2.37 0.00 1647 G 8.81 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 1648 A 7.45 4.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1649 S 8.86 4.95 0.00 3.94 3.92 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 1650 L 8.92 4.65 0.00 1.45 1.36 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 1651 A 7.89 5.67 1.16 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 *1653 S 8.43 4.45 0.00 3.78 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1654 L 8.72 4.80 0.00 1.61 1.65 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 1655 I 8.41 4.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.98 0.00 0.00 1656 D 8.56 4.47 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.