NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1670 M 4.5477 8.2893 118.7944 54.8339 34.0164 178.4350 1671 D 4.4869 7.8469 120.1319 51.9642 38.8691 170.9878 1672 V 4.1689 8.5559 121.3460 62.8276 33.2934 176.1745 1673 R 4.4105 9.3958 125.4522 55.0247 30.3541 176.8544 1674 G 3.9946 6.7335 105.3065 45.3202 0.0000 171.8047 1675 S 4.7445 8.0346 114.5901 56.4770 65.8227 173.6914 1676 I 4.3009 8.2720 122.6820 59.4632 39.0720 175.1995 1677 V 4.5064 8.0818 120.8231 59.8283 33.6990 174.9674 1678 Y 4.4945 8.5113 119.2671 56.1431 40.2054 175.3957 1679 L 4.8358 8.3315 123.8792 52.8505 45.2085 175.9963 1680 E 4.3843 8.6543 121.9740 55.4402 30.7099 176.0247 1681 I 4.2754 8.1848 122.5636 59.7050 38.6311 174.6969 1682 D 4.7787 8.6475 125.7601 52.8963 41.9703 175.2609 1683 N 4.9135 8.5513 123.7276 53.1734 38.9073 177.1068 1684 R 3.9130 8.4176 118.9564 59.0862 29.3838 177.5536 1685 Q 4.4197 7.8816 117.6066 57.3726 30.0912 176.3741 1686 C 4.4419 8.0135 114.2650 57.9230 41.5930 176.1269 1687 V 3.6100 7.2818 115.0283 64.4122 31.1680 177.9899 1688 Q 4.1279 7.9034 116.4937 58.4163 28.6055 177.7919 1689 A 4.2071 7.8977 121.8232 54.9927 19.1162 178.0606 1690 S 4.4360 8.1807 110.2414 57.4839 65.7805 174.3969 1691 S 4.5724 8.5459 116.0974 58.8159 63.5519 174.9364 1692 Q 4.1674 7.3874 122.1425 55.4045 27.0405 174.5404 1693 C 4.7586 7.2512 114.7626 54.8037 44.1980 174.1082 1694 F 4.7916 8.3360 121.0710 56.7878 39.3737 176.0306 1695 Q 4.4443 8.7666 123.6472 56.1480 29.0482 176.0661 1696 S 4.6197 7.7233 112.4068 55.4454 66.4462 173.9395 1697 A 3.9573 8.7205 130.4432 55.5678 18.0894 179.7653 1698 T 3.7275 7.8521 113.6180 67.0100 68.5726 176.0820 1699 D 4.1850 7.7255 120.3463 57.3315 40.8736 178.7916 1700 V 2.7242 6.8430 117.8699 65.8699 31.3284 177.6766 1701 A 3.8837 8.2729 120.0901 55.2609 18.1757 179.1227 1702 A 3.8812 8.5233 119.6504 55.4190 18.3440 179.3211 1703 F 4.0039 8.6100 119.1374 61.5729 39.3864 177.3477 1704 L 4.0467 7.9458 117.7908 57.8073 41.5074 179.4112 1705 G 3.8010 8.3432 105.8141 48.0413 0.0000 175.2851 1706 A 3.9162 8.2890 122.5451 54.7180 18.5839 179.2429 1707 L 3.8832 7.9672 117.6226 57.8085 41.0751 179.5324 1708 A 3.9300 8.5111 121.0163 55.3978 18.1605 179.5520 1709 S 4.4113 7.7740 111.1487 61.8007 62.7994 175.9885 1710 L 4.3248 7.5547 119.0046 53.4094 42.9794 177.0506 1711 G 4.0501 9.1054 107.1612 45.4690 0.0000 174.4250 1712 S 5.0784 7.1810 108.7271 57.9308 63.5878 177.3673 1713 L 4.3956 7.7814 123.6376 55.1582 40.7689 175.7046 1714 N 4.7777 7.8124 120.3615 51.6772 37.5065 173.9094 1715 I 4.9775 7.4124 114.2386 58.2371 41.0677 174.8974 1716 P 4.3664 0.0000 0.0000 63.3785 31.0225 175.5027 1717 Y 4.6445 7.7830 114.9803 56.9667 41.4263 175.8125 1718 K 4.3327 8.5434 123.6518 55.0331 31.5214 175.6937 1719 I 4.1280 8.0762 127.0206 60.6549 38.0766 175.5436 1720 E 4.4606 8.8201 124.2210 57.0219 31.5659 175.7916 1721 A 4.7354 7.5443 118.5067 50.5472 22.2297 175.4680 1722 V 4.3991 8.0305 119.5365 60.2406 34.2077 174.4805 1723 Q 4.5678 8.3199 121.3401 54.2949 33.0119 173.7267 1724 S 4.7177 8.3531 112.4180 56.5548 65.1264 172.7865 1725 E 4.8932 8.5697 125.1835 55.1316 32.8829 175.6045 1726 T 4.7670 8.3263 110.7728 61.4700 69.3453 174.8107 1727 V 4.1867 7.7273 122.1987 60.6599 31.3179 172.9110 1728 E 4.1857 9.1496 125.6733 56.2318 29.1935 174.9477 1729 P 4.4040 0.0000 0.0000 61.5633 30.7538 175.8330 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 1670 M 8.29 4.55 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 1671 D 7.85 4.49 0.00 2.86 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 1672 V 8.56 4.17 2.09 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 0.86 0.00 0.00 0.94 0.00 0.00 1673 R 9.40 4.41 0.00 1.84 1.94 0.00 3.55 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 1674 G 6.73 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 0.00 0.00 0.00 1675 S 8.03 4.74 0.00 3.84 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 1676 I 8.27 4.30 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.73 0.97 0.00 0.00 1677 V 8.08 4.51 2.06 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 0.79 0.00 0.00 0.85 0.00 0.00 1678 Y 8.51 4.49 0.00 2.91 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 1679 L 8.33 4.84 0.00 1.54 1.51 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 1680 E 8.65 4.38 0.00 1.96 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 2.30 2.28 0.00 1681 I 8.18 4.28 1.90 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 1.30 0.88 0.95 0.00 0.00 1682 D 8.65 4.78 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1683 N 8.55 4.91 0.00 2.81 2.76 0.00 0.00 6.83 7.66 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 1684 R 8.42 3.91 0.00 1.94 2.25 0.00 3.04 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 1685 Q 7.88 4.42 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 1686 C 8.01 4.44 0.00 3.09 3.31 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 1687 V 7.28 3.61 2.06 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 0.77 0.00 0.00 0.97 0.00 0.00 1688 Q 7.90 4.13 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 1689 A 7.90 4.21 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 1690 S 8.18 4.44 0.00 3.87 3.80 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 1691 S 8.55 4.57 0.00 3.92 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 1692 Q 7.39 4.17 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 1693 C 7.25 4.76 0.00 2.81 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 1694 F 8.34 4.79 0.00 3.03 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 1695 Q 8.77 4.44 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 1696 S 7.72 4.62 0.00 3.84 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 1697 A 8.72 3.96 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 1698 T 7.85 3.73 4.22 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 1.18 0.00 0.00 1699 D 7.73 4.18 0.00 2.44 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1700 V 6.84 2.72 2.15 0.00 0.00 0.00 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 0.79 0.00 0.00 1701 A 8.27 3.88 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 1702 A 8.52 3.88 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 1703 F 8.61 4.00 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 1704 L 7.95 4.05 0.00 1.92 1.70 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 1705 G 8.34 3.80 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 0.00 0.00 0.00 1706 A 8.29 3.92 1.18 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 0.00 0.00 1707 L 7.97 3.88 0.00 1.67 1.67 1.01 0.67 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 1708 A 8.51 3.93 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 1709 S 7.77 4.41 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.32 0.00 1.73 1.70 0.89 1.39 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 1711 G 9.11 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 1712 S 7.18 5.08 0.00 3.93 3.87 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 1713 L 7.78 4.40 0.00 1.60 1.64 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 1714 N 7.81 4.78 0.00 2.82 2.77 0.00 0.00 6.47 7.16 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 1715 I 7.41 4.98 2.02 0.00 0.00 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 1.62 0.83 0.98 0.00 0.00 1716 P 0.00 4.37 0.00 1.93 2.09 0.00 3.80 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 1.90 1.95 0.00 1717 Y 7.78 4.64 0.00 2.93 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 1718 K 8.54 4.33 0.00 1.72 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.52 7.81 1719 I 8.08 4.13 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 0.89 0.00 0.00 1720 E 8.82 4.46 0.00 1.89 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 2.18 2.21 0.00 1721 A 7.54 4.74 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1722 V 8.03 4.40 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 0.74 0.00 0.00 0.87 0.00 0.00 1723 Q 8.32 4.57 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 1724 S 8.35 4.72 0.00 3.72 3.65 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 1725 E 8.57 4.89 0.00 1.98 1.84 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 2.23 2.26 0.00 1726 T 8.33 4.77 4.25 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 1.22 0.00 0.00 1727 V 7.73 4.19 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 1728 E 9.15 4.19 0.00 1.97 1.96 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 2.28 2.26 0.00 1729 P 0.00 4.40 0.00 2.08 2.08 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00