NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2022 8.1727 122.0536 56.3012 34.1466 174.0250 2 V 4.6264 8.1815 126.8597 60.7059 32.3549 174.5880 3 F 4.4977 9.1001 128.0931 57.4481 40.1733 174.7670 4 E 4.2144 8.9674 119.4866 55.4515 31.3349 176.3977 5 R 3.2944 8.9501 119.0322 61.0810 29.9749 179.2158 6 C 4.3563 8.2129 115.5286 59.7007 36.3224 175.8085 7 E 3.8975 8.4218 121.2909 59.1695 29.1944 178.6617 8 L 3.6298 7.9942 120.2039 57.8086 42.1092 178.5055 9 A 3.9646 7.8576 120.7715 55.5295 18.3338 179.9000 10 R 3.9171 8.1631 116.4025 59.5802 30.0928 179.5379 11 T 3.8830 7.7992 115.5134 66.6734 68.5064 176.7948 12 L 3.8962 8.1763 121.3176 57.5267 41.5855 179.5223 13 K 3.9430 8.1247 119.6595 59.5448 31.9527 178.9173 14 R 3.9781 7.9346 117.8233 58.8462 29.9687 177.3922 15 L 4.4564 7.4716 116.8619 53.8240 41.7999 176.5873 16 G 3.8506 7.7888 106.5225 47.1693 0.0000 175.2048 17 M 3.8848 7.8616 120.5520 55.8867 32.5744 175.7688 18 D 4.5467 7.9695 117.6258 57.0484 40.6368 175.8125 19 G 3.9816 9.3872 116.2444 44.8247 0.0000 171.0191 20 Y 4.1857 8.1825 121.8455 58.9377 38.8129 176.3795 21 R 3.5454 8.9877 126.6898 57.3155 27.6313 177.5343 22 G 3.8981 8.5373 105.0732 45.5907 0.0000 174.2025 23 I 4.1133 7.5643 122.1895 59.3513 38.2630 175.9518 24 S 4.6495 8.3230 119.9863 57.7760 63.8678 174.9022 25 L 4.2511 8.6852 123.2506 58.5442 41.6964 179.3049 26 A 4.1193 8.1155 120.1550 55.2781 18.3144 179.2024 27 N 4.4248 7.9950 114.6892 56.1328 38.6152 177.7625 28 W 4.2621 7.7865 120.0666 59.8720 29.2058 178.3591 29 M 4.1983 8.5084 118.9913 58.6132 31.5558 177.9375 30 C 3.3027 8.1791 118.7027 59.0873 42.1590 175.4360 31 L 4.1089 8.0263 121.7398 58.2507 41.7950 178.7512 32 A 4.1666 8.2344 120.7227 54.9915 18.3414 179.4676 33 K 2.9113 8.1863 118.0166 59.2976 32.1135 178.9310 34 W 4.3460 7.6756 116.1841 58.4478 29.1642 177.9795 35 E 4.4616 8.0737 118.6344 58.1333 29.5012 177.2506 36 S 4.5118 7.9159 109.0915 56.6329 64.9204 174.3667 37 G 3.2703 8.1817 108.8200 47.0239 0.0000 173.5358 38 Y 3.6666 7.6993 113.2963 58.5403 35.3940 168.6278 39 N 5.2629 7.6806 119.6014 51.9912 39.8520 175.7720 40 T 4.0949 8.9961 117.4360 63.9264 69.1054 175.8932 41 R 4.4412 8.1889 119.5664 55.9100 30.8110 176.3141 42 A 4.3489 7.7370 122.2857 52.3505 19.3853 176.9539 43 T 4.9841 8.3449 111.1391 59.9625 72.4456 172.9081 44 N 4.8851 9.0606 122.5822 52.0720 41.9809 172.1906 45 Y 4.8856 8.7489 128.1056 56.9467 40.3134 174.3183 46 N 4.5792 8.8196 124.7577 51.2237 39.4502 175.6261 47 A 3.5504 8.2052 128.0165 54.5229 18.9143 179.0165 48 G 3.6791 8.0465 104.6234 48.4893 0.0000 174.1747 49 D 4.6576 7.7918 116.5694 51.7583 39.9448 176.3381 50 R 3.9737 7.8219 117.3714 57.4230 28.3242 175.8874 51 S 4.9876 8.1032 112.4105 57.2266 66.1990 172.8575 52 T 5.1566 8.8820 116.4897 61.9815 72.4695 172.7230 53 D 5.4456 9.0810 125.5351 53.3563 42.9701 175.0753 54 Y 4.9703 9.2604 121.4449 57.3614 41.4388 177.5885 55 G 4.2035 8.9689 111.7841 44.8251 0.0000 173.6859 56 I 3.9731 8.1561 116.8340 62.7832 37.7514 176.9629 57 F 4.6344 7.8105 115.4619 56.3451 40.0424 175.1610 58 Q 3.6525 7.8483 119.1625 57.0924 26.4296 173.6829 59 I 4.5482 8.3091 119.1891 60.6899 39.4123 176.8389 60 N 5.3316 9.2314 126.2116 53.6583 39.7937 175.4969 61 S 4.7917 9.1330 120.1299 59.6780 63.3456 175.1227 62 R 3.8726 8.8137 122.3584 58.3573 30.4966 177.5078 63 Y 4.1375 7.8147 115.0155 57.7651 40.3933 176.8708 64 W 4.9049 8.2358 118.8109 57.6468 31.4055 174.0076 65 C 5.6827 8.2862 112.3201 53.5305 45.9935 172.1193 66 N 5.0851 8.9408 119.0367 52.0071 40.0976 174.7113 67 D 4.7905 8.7743 123.8196 52.2603 40.3958 176.6111 68 G 3.9372 8.2913 106.7196 46.3328 0.0000 174.2477 69 K 4.5595 8.9024 116.9583 55.6312 33.6798 175.8826 70 T 4.6413 7.7550 109.7762 58.5939 70.6687 172.3883 71 P 4.2527 0.0000 0.0000 63.7683 31.9300 176.0041 72 G 3.7561 8.7311 107.7211 46.4243 0.0000 173.4960 73 A 4.1841 7.9366 122.0273 51.8006 18.9551 178.5213 74 V 3.9121 8.2467 121.4698 62.1151 33.4391 175.2710 75 N 4.1662 8.1099 117.0742 54.3434 36.9682 175.0260 76 A 4.0174 8.2766 121.1418 55.1596 18.9909 178.4881 77 C 4.5009 8.6350 111.7667 57.2598 41.1281 173.0490 78 H 4.1043 8.1091 116.4449 56.1987 26.3745 174.6378 79 L 4.6754 8.2780 119.4121 53.2343 45.9261 174.8079 80 S 4.5795 8.5363 119.9968 58.0965 63.2334 175.6917 81 C 4.1570 8.7387 125.1682 59.7675 34.9794 176.5993 82 S 3.8684 7.7587 115.6578 60.9382 62.2687 176.0002 83 A 4.4068 7.6925 124.5223 53.2978 17.9203 177.7342 84 L 4.4814 7.8557 116.9094 54.8843 41.9424 177.5114 85 L 5.3273 7.5834 117.4215 53.7952 42.2972 176.5046 86 Q 4.5561 7.7606 117.7279 54.6982 30.2669 176.6946 87 D 4.4021 8.5298 119.5473 56.9050 41.1472 176.5855 88 N 4.6784 8.0440 118.1452 52.8811 39.1804 174.5365 89 I 4.2883 8.4327 119.0977 60.9885 38.1231 176.9660 90 A 3.9465 8.3615 124.7705 56.0191 18.1719 180.1488 91 D 4.2854 8.1037 116.3913 57.4297 40.8697 178.7286 92 A 4.0630 7.9859 120.7698 55.2853 18.4917 179.7081 93 V 3.2151 8.1572 116.7724 65.9320 31.4081 178.1335 94 A 3.8425 7.8479 120.3595 55.0397 18.0650 178.8125 95 C 4.1178 7.9812 116.7413 59.4203 43.3238 175.3389 96 L 3.6508 7.9233 122.2841 58.1832 41.3123 179.1718 97 K 3.5979 7.4314 116.9995 59.1874 32.1278 178.9915 98 R 4.0351 7.2795 118.6611 59.1047 29.9086 178.4827 99 V 2.0000 7.4499 118.3913 65.5799 31.2741 177.8622 100 V 3.9833 7.6861 109.8297 62.4814 31.3685 177.5078 101 R 4.3698 7.5509 117.2664 56.0467 30.6315 176.1410 102 D 4.7875 7.2675 120.0008 52.6056 42.1744 175.5383 103 P 4.2247 0.0000 0.0000 66.1960 31.6662 178.3050 104 Q 4.0609 8.2057 116.2265 56.6254 29.9847 177.3613 105 G 3.9037 7.9802 107.2976 47.0899 0.0000 175.7192 106 I 3.9414 7.9690 120.4184 63.1290 38.0294 177.5659 107 R 4.3921 7.5608 116.9321 57.5525 29.9551 177.4129 108 A 3.9500 7.7169 121.5226 54.2120 18.7668 178.5061 109 W 4.6229 8.1162 116.6287 55.7061 30.0678 177.4829 110 V 3.7135 8.6801 124.1325 66.0755 31.0223 177.6756 111 A 4.0058 8.2666 120.0886 54.8275 18.2524 179.2990 112 W 3.9459 8.3898 126.4717 60.6356 30.7181 178.2512 113 R 3.8736 8.0555 116.7694 59.4996 29.6187 178.5352 114 N 4.3974 8.3024 115.3082 55.1874 38.7031 176.7350 115 R 4.0963 7.8254 116.5898 55.6532 31.6912 175.5696 116 C 4.4364 7.7330 115.2858 57.9849 42.3829 174.2576 117 Q 3.3860 6.4361 118.2606 57.6096 28.5273 176.1698 118 N 4.1750 8.6939 119.9617 53.8273 36.4460 173.8511 119 R 4.4987 7.3395 116.8989 53.8384 32.5278 175.3347 120 D 4.4727 8.4739 119.2590 54.7293 41.3588 176.0822 121 V 4.7664 8.3274 118.3608 61.2721 32.8010 177.8079 122 R 4.0785 8.3785 122.6065 58.9678 29.9884 179.0872 123 Q 3.9547 8.1374 116.0296 59.2348 28.5815 178.1594 124 Y 4.2227 7.6186 115.3782 59.9725 38.0211 176.9482 125 V 4.4335 7.6645 111.3488 60.6210 33.0036 175.2918 126 Q 4.0536 7.7438 120.5619 57.2377 28.6911 176.8125 127 G 3.9276 8.9488 110.5109 46.1288 0.0000 174.3870 128 C 4.4847 8.0140 115.8038 56.0385 40.8780 173.6635 129 G 3.9005 7.9330 107.4012 46.9880 0.0000 174.1000 130 V 4.0034 7.8216 116.3956 61.1434 31.9971 176.2415 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 1 K 8.17 4.20 0.00 1.79 1.76 0.00 1.30 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.18 7.81 2 V 8.18 4.63 2.10 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 0.92 0.00 0.00 0.95 0.00 0.00 3 F 9.10 4.50 0.00 2.82 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 4 E 8.97 4.21 0.00 2.14 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 2.25 2.36 0.00 5 R 8.95 3.29 0.00 1.95 1.94 0.00 3.28 0.00 0.00 3.46 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 6 C 8.21 4.36 0.00 3.27 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 7 E 8.42 3.90 0.00 2.08 2.24 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 2.54 2.37 0.00 8 L 7.99 3.63 0.00 1.45 1.42 -0.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 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 10 R 8.16 3.92 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 11 T 7.80 3.88 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 1.20 0.00 0.00 12 L 8.18 3.90 0.00 1.76 1.64 0.99 0.53 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 13 K 8.12 3.94 0.00 1.95 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 R 7.93 3.98 0.00 2.02 2.09 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.47 4.46 0.00 1.55 1.53 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.79 3.85 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 0.00 0.00 0.00 17 M 7.86 3.88 0.00 1.44 2.01 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.20 0.00 18 D 7.97 4.55 0.00 2.68 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 19 G 9.39 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.18 4.19 0.00 3.22 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 21 R 8.99 3.55 0.00 1.92 1.92 0.00 3.29 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.00 22 G 8.54 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.56 4.11 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.76 -0.26 0.00 0.00 24 S 8.32 4.65 0.00 4.05 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 25 L 8.69 4.25 0.00 1.99 1.81 1.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.12 4.12 1.51 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 0.00 0.00 0.00 27 N 7.99 4.42 0.00 2.80 2.69 0.00 0.00 6.94 8.04 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 28 W 7.79 4.26 0.00 3.56 3.11 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 0.00 0.00 0.00 0.00 29 M 8.51 4.20 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 30 C 8.18 3.30 0.00 2.59 3.17 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 31 L 8.03 4.11 0.00 1.96 1.96 0.34 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.23 4.17 1.53 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 0.00 0.00 33 K 8.19 2.91 0.00 1.76 1.55 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 1.41 7.81 34 W 7.68 4.35 0.00 3.39 3.28 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 35 E 8.07 4.46 0.00 2.06 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 2.46 2.20 0.00 36 S 7.92 4.51 0.00 4.05 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 37 G 8.18 3.27 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 0.00 38 Y 7.70 3.67 0.00 3.22 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 39 N 7.68 5.26 0.00 2.79 2.83 0.00 0.00 7.00 7.02 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 40 T 9.00 4.09 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 41 R 8.19 4.44 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 42 A 7.74 4.35 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 43 T 8.34 4.98 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 1.31 0.00 0.00 44 N 9.06 4.89 0.00 2.87 2.77 0.00 0.00 6.69 8.30 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 45 Y 8.75 4.89 0.00 2.90 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 46 N 8.82 4.58 0.00 2.70 2.61 0.00 0.00 6.52 7.34 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 47 A 8.21 3.55 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.05 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 49 D 7.79 4.66 0.00 2.73 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 50 R 7.82 3.97 0.00 2.06 2.22 0.00 3.16 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 51 S 8.10 4.99 0.00 3.92 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 52 T 8.88 5.16 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 0.61 0.00 0.00 53 D 9.08 5.45 0.00 2.73 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 54 Y 9.26 4.97 0.00 3.00 2.91 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 55 G 8.97 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.16 3.97 1.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.69 -0.35 0.00 0.00 57 F 7.81 4.63 0.00 3.13 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 58 Q 7.85 3.65 0.00 2.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.82 0.00 59 I 8.31 4.55 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 1.14 0.00 0.00 60 N 9.23 5.33 0.00 3.08 3.04 0.00 0.00 6.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.13 4.79 0.00 4.09 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.81 3.87 0.00 1.63 1.79 0.00 2.75 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 63 Y 7.81 4.14 0.00 1.86 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 0.00 0.00 0.00 64 W 8.24 4.90 0.00 3.54 3.27 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 65 C 8.29 5.68 0.00 3.17 3.23 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 66 N 8.94 5.09 0.00 2.81 2.70 0.00 0.00 7.08 8.91 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 67 D 8.77 4.79 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.29 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 69 K 8.90 4.56 0.00 1.74 1.83 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 70 T 7.76 4.64 4.39 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 1.37 0.00 0.00 71 P 0.00 4.25 0.00 2.17 2.09 0.00 3.89 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 1.97 1.96 0.00 72 G 8.73 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 73 A 7.94 4.18 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 74 V 8.25 3.91 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 0.70 0.00 0.00 0.85 0.00 0.00 75 N 8.11 4.17 0.00 2.97 2.80 0.00 0.00 7.12 7.70 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 76 A 8.28 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 77 C 8.63 4.50 0.00 3.35 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 78 H 8.11 4.10 0.00 3.30 3.33 0.00 5.65 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.28 4.68 0.00 1.82 1.47 0.94 0.67 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 80 S 8.54 4.58 0.00 3.87 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 81 C 8.74 4.16 0.00 2.24 1.55 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 82 S 7.76 3.87 0.00 3.98 4.08 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 83 A 7.69 4.41 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 84 L 7.86 4.48 0.00 1.95 1.81 1.07 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.58 5.33 0.00 1.81 1.70 1.13 1.14 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 86 Q 7.76 4.56 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 87 D 8.53 4.40 0.00 2.66 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 88 N 8.04 4.68 0.00 2.70 2.76 0.00 0.00 6.95 7.94 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 89 I 8.43 4.29 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.60 0.90 0.00 0.00 90 A 8.36 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.10 4.29 0.00 2.79 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 92 A 7.99 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.16 3.22 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 0.66 0.00 0.00 0.91 0.00 0.00 94 A 7.85 3.84 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 95 C 7.98 4.12 0.00 3.01 3.24 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 0.00 96 L 7.92 3.65 0.00 1.33 1.29 0.60 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.43 3.60 0.00 1.63 1.58 0.00 1.35 0.00 0.00 1.09 0.00 0.00 2.16 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.75 7.81 98 R 7.28 4.04 0.00 2.02 2.03 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 99 V 7.45 2.00 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 0.11 0.00 0.00 -0.28 0.00 0.00 100 V 7.69 3.98 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 1.21 0.00 0.00 1.27 0.00 0.00 101 R 7.55 4.37 0.00 2.05 2.01 0.00 3.19 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.04 0.00 102 D 7.27 4.79 0.00 3.06 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 0.00 103 P 0.00 4.22 0.00 2.02 2.15 0.00 3.70 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 2.15 0.00 104 Q 8.21 4.06 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.85 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 105 G 7.98 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.97 3.94 1.18 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.77 -0.42 0.00 0.00 107 R 7.56 4.39 0.00 2.06 2.07 0.00 3.26 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.57 0.00 108 A 7.72 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.12 4.62 0.00 3.62 3.33 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 0.00 110 V 8.68 3.71 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 1.23 0.00 0.00 0.99 0.00 0.00 111 A 8.27 4.01 1.57 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 0.00 0.00 112 W 8.39 3.95 0.00 3.51 3.56 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 0.00 113 R 8.06 3.87 0.00 2.16 2.02 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 114 N 8.30 4.40 0.00 2.54 2.71 0.00 0.00 6.92 8.21 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 0.00 115 R 7.83 4.10 0.00 1.02 0.66 0.00 2.52 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 116 C 7.73 4.44 0.00 1.23 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 0.00 117 Q 6.44 3.39 0.00 1.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.33 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 118 N 8.69 4.18 0.00 2.82 2.86 0.00 0.00 6.98 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 0.00 119 R 7.34 4.50 0.00 1.84 1.79 0.00 2.93 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 120 D 8.47 4.47 0.00 2.64 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 0.00 121 V 8.33 4.77 2.36 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 0.98 0.00 0.00 1.02 0.00 0.00 122 R 8.38 4.08 0.00 1.99 2.01 0.00 3.15 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 123 Q 8.14 3.95 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 124 Y 7.62 4.22 0.00 3.06 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 0.00 125 V 7.66 4.43 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 1.01 0.00 0.00 126 Q 7.74 4.05 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 127 G 8.95 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 0.00 128 C 8.01 4.48 0.00 3.03 3.15 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 0.00 129 G 7.93 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.82 4.00 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 0.80 0.00 0.00 0.96 0.00 0.00