NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1603 N 4.6014 8.4093 118.1160 53.0732 39.6440 173.4045 1604 E 4.5623 8.4695 121.8965 52.5648 32.2014 173.6455 1605 K 4.8742 9.3869 122.4184 55.4268 35.4439 176.0547 1606 I 4.8124 8.4811 126.4340 59.8759 39.5217 174.5451 1607 L 5.1066 8.8423 128.0600 53.5140 44.4521 175.1776 1608 I 4.6366 8.2624 127.4157 60.1978 39.1112 175.7358 1609 V 5.1970 8.2737 124.5652 61.4541 30.6673 173.2532 1610 D 5.2344 8.0753 121.8482 52.1148 44.0809 175.5495 1611 D 4.5129 8.7314 121.2951 54.8529 40.4273 176.0798 1612 Q 4.4308 8.0924 119.9944 54.3183 27.6214 175.9746 1613 S 4.2873 8.7808 119.6320 61.7271 62.5666 176.7944 1614 G 3.6689 8.0834 108.3557 47.5780 0.0000 175.6612 1615 I 3.7297 8.1340 122.4756 64.1787 37.1152 178.0890 1616 R 3.8764 8.1491 119.0722 59.8464 29.6215 178.3365 1617 I 3.7638 8.2648 119.5288 64.1742 36.9991 177.6799 1618 L 3.8643 7.7850 120.0959 58.4420 42.0217 178.7530 1619 L 3.9656 8.6696 118.7556 57.8759 41.6697 178.6886 1620 N 4.3608 7.8178 116.6540 57.1964 38.6202 176.4104 1621 E 4.1067 8.2486 114.9072 57.4599 29.5058 176.9607 1622 V 3.9598 8.1181 118.5243 64.5315 33.6249 177.9849 1623 F 4.2462 7.2134 117.6254 60.4441 39.0257 177.1273 1624 N 5.4037 8.2251 115.8543 54.5843 38.7078 174.8095 1625 K 4.6911 7.3637 116.8236 56.6331 32.5082 175.8898 1626 E 4.6915 8.4138 115.5849 55.4931 30.7542 176.5977 1627 G 3.9380 8.7882 105.4328 45.7165 0.0000 173.1995 1628 Y 4.7754 7.7626 117.4393 55.9711 40.6414 175.0168 1629 Q 4.3143 8.4987 123.6099 56.0790 30.0334 175.2218 1630 T 4.8833 8.3596 120.2490 61.5692 71.6249 173.4613 1631 F 5.0994 8.4028 123.8697 55.8217 42.4991 173.9633 1632 Q 4.8140 8.9967 121.9194 54.3840 30.2039 174.7840 1633 A 4.8755 8.7648 125.1979 50.3310 20.9611 176.0599 1634 A 4.5410 8.7596 121.9079 52.5772 21.3251 176.4195 1635 N 5.2463 7.7164 111.3899 50.5793 43.8627 175.3826 1636 G 3.6645 8.5473 106.8840 48.0864 0.0000 175.8174 1637 L 4.0348 7.7956 120.6915 57.7797 41.7792 179.1920 1638 Q 3.5779 8.1596 116.0429 58.1448 28.9408 178.0834 1639 A 4.4947 7.5138 121.2762 53.9078 20.1824 178.7989 1640 L 3.9460 8.8851 119.5027 58.0884 41.8329 179.0679 1641 D 4.2453 8.9251 120.1876 57.4503 40.6634 178.3913 1642 I 3.5902 7.7314 118.4059 64.6737 37.3869 178.2001 1643 V 3.7578 7.9617 118.8053 66.5358 31.1069 177.8064 1644 T 3.9332 7.7269 115.2639 65.4258 69.0073 175.7991 1645 K 4.3522 8.9595 122.2999 56.1284 32.8726 176.1671 1646 E 4.6505 8.3177 121.9855 57.1731 32.6284 176.6572 1647 R 3.5582 7.7318 109.8085 57.6604 26.9790 173.8124 1648 P 4.7062 0.0000 0.0000 61.7789 32.2835 175.4005 1649 D 4.4935 8.1559 118.9889 55.0374 40.5106 176.2676 1650 L 4.6235 7.8835 120.5412 54.6029 45.2357 176.1752 1651 V 4.7147 8.6720 123.9037 61.6633 34.8872 173.9527 1652 L 4.8391 8.6595 129.9535 54.0733 42.7873 175.5332 1653 L 4.9287 8.9367 129.0148 53.6642 45.3022 175.7463 *1655 M 4.3659 8.5906 115.5113 55.2853 34.6934 175.7651 1656 K 4.6105 8.0918 119.0122 54.9255 31.3310 175.4305 1657 I 4.9277 7.9450 123.2208 56.7941 40.9167 173.5943 1658 P 4.2839 0.0000 0.0000 64.4912 31.4509 176.3632 1659 G 4.0691 8.9243 115.5216 47.0580 0.0000 173.8489 1660 M 4.3661 6.8517 123.7208 52.5756 31.3720 174.2200 1661 D 4.4455 8.2839 124.3383 52.8810 40.1552 178.3779 1662 G 3.9336 9.1878 109.1480 46.7761 0.0000 173.4152 1663 I 4.1684 8.1612 120.9652 62.3703 39.5257 177.2764 1664 E 3.9249 9.2162 121.4690 59.2982 29.7805 178.7810 1665 I 3.7288 7.7811 118.2896 63.6264 37.2391 177.0566 1666 L 3.9683 7.8163 121.7270 58.1967 41.7000 179.3616 1667 K 3.9667 7.7986 117.8626 59.4431 31.9636 179.0810 1668 R 3.9219 7.8295 118.3239 60.8575 29.4473 178.2010 1669 M 3.6231 7.5938 112.4231 59.5479 31.6927 178.6758 1670 K 5.1235 7.9325 123.7274 59.1567 32.7056 179.0533 1671 V 3.7212 7.3862 117.5222 66.1260 31.5041 177.7092 1672 I 4.3080 8.2898 118.7052 62.6060 37.6283 175.5950 1673 D 4.4343 9.3332 120.6799 52.8098 42.1273 175.1566 1674 E 4.0211 8.7263 125.8371 58.9507 29.7884 177.0401 1675 N 4.7034 7.8377 115.8579 53.4231 39.0159 174.9664 1676 I 4.0506 7.4877 118.9101 60.8377 39.4959 175.1841 1677 R 4.3683 8.0764 120.2211 55.5035 33.1287 174.0840 1678 V 4.8562 8.3309 124.4677 61.0067 34.3138 174.0199 1679 I 4.5954 8.8004 129.0870 59.9778 39.4184 175.2748 1680 I 4.9390 8.2713 126.2695 60.5225 39.7878 174.3764 1681 M 5.9379 8.4389 122.4775 52.8319 35.6486 175.3346 1682 T 4.2820 8.2278 118.0007 63.2816 73.0752 171.4032 1683 A 4.8498 8.4473 126.2574 52.4087 19.9845 179.4230 1684 Y 3.6399 9.3810 120.8543 61.7027 38.7599 180.0612 1685 G 3.9359 7.6731 106.9910 47.4483 0.0000 174.3366 1686 E 4.7575 7.7796 118.5284 53.6553 32.9008 174.6425 1687 L 4.6488 8.1909 122.7600 54.4174 44.0406 177.9159 1688 D 4.3961 8.2771 117.1984 57.2489 40.5408 177.5035 1689 M 4.2048 7.8661 118.1464 57.9240 32.3059 177.9494 1690 I 3.8725 7.7536 119.8842 64.5012 37.3266 177.5856 1691 Q 3.9853 8.0071 120.4746 58.3638 28.6506 177.0963 1692 E 3.8181 8.4459 121.4226 58.8626 29.2441 179.2345 1693 S 4.2883 7.6600 113.5505 60.3743 62.9436 175.9437 1694 K 3.7795 8.8054 123.9389 58.5259 32.0401 177.5608 1695 E 4.3240 7.8385 116.2614 57.1307 29.5202 177.2432 1696 L 4.6108 7.0820 118.0861 53.8864 43.1977 176.9172 1697 G 3.6766 8.2870 107.3126 45.8707 0.0000 171.7234 1698 A 4.7322 7.4662 121.8163 49.3045 20.4205 177.1749 1699 L 3.9990 8.4168 122.7915 57.5992 42.7933 179.6373 1700 T 4.0684 6.7550 112.3963 62.1941 71.8175 171.8626 1701 H 5.2163 7.1411 120.8525 55.3114 30.0077 174.2542 1702 F 4.8230 8.7759 120.6907 55.5295 42.2716 173.9220 1703 A 5.7130 9.0598 125.6084 50.6037 20.0331 176.2950 1704 K 4.6808 8.7804 122.4804 55.2040 34.3550 176.5111 1705 P 4.2711 0.0000 0.0000 62.6451 28.6630 175.7045 1706 F 4.6216 7.6001 121.9224 56.9642 39.2061 174.6150 1707 D 4.8191 8.5348 120.0721 52.6876 42.3346 175.4730 1708 I 4.0304 7.4670 122.5391 62.5609 36.6546 177.8302 1709 D 4.3480 8.0412 122.5946 58.0681 41.2551 178.7627 1710 E 4.1294 7.9056 118.1240 59.5852 29.5248 179.1581 1711 I 3.1523 7.0084 117.2692 62.7490 37.8851 176.9398 1712 R 4.4302 8.4488 117.7573 57.8711 29.8839 176.3844 1713 D 4.6308 7.7969 115.7227 56.0297 42.0176 178.3547 1714 A 3.2911 7.7487 122.9345 55.2417 18.8606 180.0156 1715 V 3.6024 7.4076 110.3284 64.5085 31.7637 178.8528 1716 K 3.5155 7.8882 116.0651 59.2041 31.9282 178.7997 1717 K 4.0095 8.5430 120.4134 58.3212 32.4783 176.5113 1718 Y 4.9505 8.0972 118.0108 56.9434 38.3066 176.1800 1719 L 4.1135 8.1974 121.9002 55.0689 42.6722 174.0093 1720 P 4.0938 0.0000 0.0000 62.2684 31.2447 175.9697 1721 L 4.0766 8.3123 122.6484 55.3658 42.5009 174.9902 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 1603 N 8.41 4.60 0.00 2.68 2.80 0.00 0.00 6.92 6.78 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 1604 E 8.47 4.56 0.00 2.27 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 0.00 2.20 2.08 0.00 1605 K 9.39 4.87 0.00 1.93 2.15 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.89 7.81 1606 I 8.48 4.81 1.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.58 0.70 0.00 0.00 1607 L 8.84 5.11 0.00 1.85 1.56 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 1608 I 8.26 4.64 1.94 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 1.18 1.12 0.99 0.00 0.00 1609 V 8.27 5.20 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 1610 D 8.08 5.23 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.51 0.00 2.91 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 1612 Q 8.09 4.43 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.73 2.40 0.00 1613 S 8.78 4.29 0.00 4.05 4.18 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 1614 G 8.08 3.67 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 0.00 0.00 0.00 1615 I 8.13 3.73 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 1.01 0.00 0.00 1616 R 8.15 3.88 0.00 2.03 2.17 0.00 3.26 0.00 0.00 3.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.80 0.00 1617 I 8.26 3.76 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.90 0.00 0.00 1618 L 7.78 3.86 0.00 1.72 1.83 0.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 1619 L 8.67 3.97 0.00 1.77 1.88 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1620 N 7.82 4.36 0.00 2.97 2.99 0.00 0.00 7.33 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1621 E 8.25 4.11 0.00 2.02 1.91 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 2.32 2.40 0.00 1622 V 8.12 3.96 1.22 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 0.34 0.00 0.00 0.69 0.00 0.00 1623 F 7.21 4.25 0.00 3.03 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 1624 N 8.23 5.40 0.00 2.72 2.95 0.00 0.00 6.90 6.29 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 1625 K 7.36 4.69 0.00 1.74 1.91 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.49 7.81 1626 E 8.41 4.69 0.00 2.21 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 0.00 2.51 2.34 0.00 1627 G 8.79 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 1628 Y 7.76 4.78 0.00 3.04 2.87 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 0.00 0.00 0.00 1629 Q 8.50 4.31 0.00 1.84 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 1630 T 8.36 4.88 4.28 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 1.21 0.00 0.00 1631 F 8.40 5.10 0.00 2.95 2.89 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 0.00 0.00 0.00 1632 Q 9.00 4.81 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 1633 A 8.76 4.88 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 1634 A 8.76 4.54 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 1635 N 7.72 5.25 0.00 2.69 2.70 0.00 0.00 7.05 7.74 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 1636 G 8.55 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1637 L 7.80 4.03 0.00 1.71 1.72 0.92 1.00 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 1638 Q 8.16 3.58 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 1639 A 7.51 4.49 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1640 L 8.89 3.95 0.00 1.77 1.81 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1641 D 8.93 4.25 0.00 2.67 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 1642 I 7.73 3.59 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.88 0.00 0.00 1643 V 7.96 3.76 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 1.03 0.00 0.00 1.01 0.00 0.00 1644 T 7.73 3.93 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 1.19 0.00 0.00 1645 K 8.96 4.35 0.00 1.66 1.84 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.26 7.81 1646 E 8.32 4.65 0.00 1.68 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 1.69 1.47 0.00 1647 R 7.73 3.56 0.00 1.91 2.08 0.00 3.20 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 1648 P 0.00 4.71 0.00 2.26 2.19 0.00 3.84 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 2.00 2.03 0.00 1649 D 8.16 4.49 0.00 2.72 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 1650 L 7.88 4.62 0.00 1.74 1.45 0.93 0.70 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 1651 V 8.67 4.71 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 0.98 0.00 0.00 0.95 0.00 0.00 1652 L 8.66 4.84 0.00 1.70 1.57 0.72 0.18 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 1653 L 8.94 4.93 0.00 1.71 1.54 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *1655 M 8.59 4.37 0.00 2.01 2.15 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 2.58 2.68 0.00 1656 K 8.09 4.61 0.00 1.76 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.46 7.81 1657 I 7.95 4.93 2.13 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 1.12 1.68 0.93 0.00 0.00 1658 P 0.00 4.28 0.00 2.18 2.09 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 1659 G 8.92 4.07 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 0.00 0.00 0.00 1660 M 6.85 4.37 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 1661 D 8.28 4.45 0.00 2.94 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 1662 G 9.19 3.93 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 0.00 0.00 0.00 1663 I 8.16 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.69 0.98 0.00 0.00 1664 E 9.22 3.92 0.00 2.14 1.98 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 2.31 2.31 0.00 1665 I 7.78 3.73 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 1.31 1.07 0.94 0.00 0.00 1666 L 7.82 3.97 0.00 2.01 1.81 0.91 0.54 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 1667 K 7.80 3.97 0.00 1.95 1.83 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.72 7.81 1668 R 7.83 3.92 0.00 2.11 2.00 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 1669 M 7.59 3.62 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 1670 K 7.93 5.12 0.00 1.71 1.88 0.00 1.89 0.00 0.00 2.27 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.36 7.81 1671 V 7.39 3.72 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 0.83 0.00 0.00 0.97 0.00 0.00 1672 I 8.29 4.31 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.90 0.00 0.00 1673 D 9.33 4.43 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1674 E 8.73 4.02 0.00 2.10 2.07 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 2.27 2.32 0.00 1675 N 7.84 4.70 0.00 2.72 2.85 0.00 0.00 6.87 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1676 I 7.49 4.05 2.09 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 1.41 0.61 0.90 0.00 0.00 1677 R 8.08 4.37 0.00 1.72 1.73 0.00 2.90 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 1678 V 8.33 4.86 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 1.05 0.00 0.00 0.93 0.00 0.00 1679 I 8.80 4.60 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 1.12 0.00 0.00 1680 I 8.27 4.94 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.98 0.00 0.00 1681 M 8.44 5.94 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.16 0.00 1682 T 8.23 4.28 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 1683 A 8.45 4.85 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 1684 Y 9.38 3.64 0.00 3.03 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 1685 G 7.67 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 1686 E 7.78 4.76 0.00 1.89 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 2.17 2.26 0.00 1687 L 8.19 4.65 0.00 1.67 1.55 0.76 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1688 D 8.28 4.40 0.00 2.67 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 1689 M 7.87 4.20 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 1690 I 7.75 3.87 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 0.64 0.00 0.00 1691 Q 8.01 3.99 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 1692 E 8.45 3.82 0.00 2.02 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 2.38 2.20 0.00 1693 S 7.66 4.29 0.00 4.16 4.13 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 0.00 0.00 0.00 1694 K 8.81 3.78 0.00 1.61 1.99 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.47 7.81 1695 E 7.84 4.32 0.00 2.08 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 2.28 2.32 0.00 1696 L 7.08 4.61 0.00 1.70 1.68 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 1697 G 8.29 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 0.00 0.00 0.00 1698 A 7.47 4.73 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 1699 L 8.42 4.00 0.00 1.70 1.72 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1700 T 6.76 4.07 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 1.35 0.00 0.00 1701 H 7.14 5.22 0.00 3.15 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1702 F 8.78 4.82 0.00 2.53 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1703 A 9.06 5.71 1.31 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 0.00 0.00 1704 K 8.78 4.68 0.00 1.62 1.94 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.50 7.81 1705 P 0.00 4.27 0.00 2.13 2.05 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 1706 F 7.60 4.62 0.00 3.26 3.43 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 0.00 0.00 0.00 0.00 1707 D 8.53 4.82 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 1708 I 7.47 4.03 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 0.80 0.00 0.00 1709 D 8.04 4.35 0.00 2.64 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 1710 E 7.91 4.13 0.00 2.15 2.21 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 2.57 2.60 0.00 1711 I 7.01 3.15 1.43 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 -0.30 0.77 0.94 0.00 0.00 1712 R 8.45 4.43 0.00 1.77 1.97 0.00 3.18 0.00 0.00 3.06 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 1713 D 7.80 4.63 0.00 2.97 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 1714 A 7.75 3.29 1.40 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 0.00 0.00 1715 V 7.41 3.60 1.73 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 0.53 0.00 0.00 0.85 0.00 0.00 1716 K 7.89 3.52 0.00 1.82 1.92 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.64 7.81 1717 K 8.54 4.01 0.00 1.50 1.44 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.24 1.43 7.81 1718 Y 8.10 4.95 0.00 2.99 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 1719 L 8.20 4.11 0.00 1.95 1.65 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1720 P 0.00 4.09 0.00 2.05 1.97 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 1721 L 8.31 4.08 0.00 1.61 1.51 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.