NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1390 8.0544 114.0542 61.0829 34.1729 174.7336 2 H 3.9177 9.0252 123.7828 55.3457 28.6533 172.1282 3 L 4.1866 9.0013 119.6907 55.2220 42.9377 174.8394 4 T 4.1891 9.7087 115.0911 60.6939 71.3429 173.6322 5 P 3.7916 0.0000 0.0000 64.8074 31.3651 178.4117 6 E 4.2792 7.9442 117.3868 58.0189 29.6821 178.8468 7 E 3.8507 7.8084 120.1695 59.4283 29.3134 178.8979 8 K 3.8074 8.7050 119.8580 59.6180 31.9497 178.9142 9 S 4.0644 7.9570 113.5955 60.7246 63.3491 176.4600 10 A 3.9583 7.7528 124.0302 54.7902 17.8961 179.4850 11 V 3.1438 7.5640 115.7287 66.4290 31.8982 177.7702 12 T 3.6795 8.0286 111.9481 66.7498 67.7890 176.4005 13 A 3.9492 7.1362 126.1997 55.3088 19.4207 179.7744 14 L 3.7431 7.8961 119.2344 57.9686 42.1655 178.8015 15 W 4.5488 8.9238 126.9658 59.8335 30.6600 177.3189 16 G 3.8907 7.6653 102.6445 46.0992 0.0000 174.1761 17 K 4.5558 7.8662 120.0547 56.0487 32.6746 175.9239 18 V 3.8988 7.4815 119.2784 61.2525 32.1090 175.5938 19 N 4.4455 8.3451 126.2312 52.9962 38.6568 175.1560 20 V 3.4461 8.1101 128.6956 65.8593 31.5485 177.1292 21 D 4.2056 7.8484 117.5117 56.7573 40.6028 177.7999 22 E 4.3372 8.1434 118.3946 58.1173 30.4208 178.5521 23 V 3.5214 7.4629 117.8919 65.7786 31.7559 178.0876 24 G 3.7439 7.7420 104.8706 46.8643 0.0000 175.7829 25 G 3.5566 7.8563 107.6859 47.7085 0.0000 175.1511 26 E 3.8263 7.6773 121.2034 59.2699 29.2786 179.2607 27 A 4.1197 8.2458 120.2138 55.5520 18.6459 179.5222 28 L 4.0643 7.9332 117.4657 57.2972 42.1573 179.0376 29 G 3.5649 8.4434 106.3218 47.5116 0.0000 176.0405 30 R 3.8343 8.6611 121.8643 59.1423 30.0983 178.2342 31 L 4.0093 7.5692 119.3862 58.8415 41.8812 178.8181 32 L 4.0292 7.8557 118.9980 57.2343 41.4735 180.0491 33 V 3.6289 7.6090 117.1233 65.7978 31.5858 178.0287 34 V 3.4642 9.1387 116.8912 64.4311 32.8392 175.7138 35 Y 3.9305 7.3735 115.9732 53.5157 38.1145 173.5665 36 P 4.3367 0.0000 0.0000 64.9598 31.2611 178.3753 37 W 4.2818 7.8678 115.3999 58.9996 27.9200 177.9169 38 T 4.2013 7.2669 110.8172 64.3822 68.0571 176.2876 39 Q 4.1715 8.2880 122.1799 58.8368 28.4983 178.3880 40 R 4.3655 7.4421 117.7234 58.2348 29.1680 178.2940 41 F 4.1382 7.6582 117.4507 58.5736 39.7021 175.8774 42 F 4.6772 8.3094 118.1271 56.6669 39.0414 177.4094 43 E 4.0482 8.0918 122.4438 59.3585 29.9483 180.0242 44 S 4.2621 8.1883 112.5121 61.3873 62.9655 175.6579 45 F 4.4956 7.8913 119.0566 58.9576 39.5660 175.6832 46 G 3.9818 7.8519 105.4179 43.6844 0.0000 173.6019 47 D 4.4081 8.6457 124.0012 54.8510 41.3174 176.1299 48 L 4.8570 8.3353 124.4803 54.5615 43.6756 177.6258 49 S 4.2102 8.7171 116.9868 61.6664 62.9680 175.3362 50 T 4.6172 7.4278 108.4194 59.1921 72.4165 173.0350 51 P 4.2613 0.0000 0.0000 65.7979 31.3637 178.7287 52 D 3.8699 8.0548 117.0113 56.8775 40.4793 178.6184 53 A 3.9180 7.9720 121.2734 55.0782 18.7162 179.3753 54 V 3.6882 7.9677 117.0609 66.5841 31.3894 178.0318 55 M 4.1435 8.7044 118.0948 58.2848 31.9142 178.2617 56 G 4.0950 8.2437 102.5889 44.0910 0.0000 173.5254 57 N 4.6206 8.0278 121.2074 51.7113 39.4617 173.6581 58 P 4.1767 0.0000 0.0000 65.5436 31.2297 178.6141 59 K 3.5476 7.8875 118.0816 59.1550 32.0794 178.8361 60 V 3.7616 7.8754 118.5486 66.2858 31.1402 177.9523 61 K 3.8439 8.5072 117.9040 59.6774 32.0658 179.1650 62 A 3.9778 8.4006 121.0786 55.3318 18.1534 179.2862 63 H 4.4167 8.5018 117.0647 59.4922 30.0773 177.6505 64 G 4.2980 8.1294 108.8744 47.0719 0.0000 175.4241 65 K 3.9437 7.8053 121.7129 59.4835 32.2683 178.8462 66 K 3.9446 7.5325 117.2683 59.6401 31.9143 179.1815 67 V 3.7007 8.1552 118.6066 66.2685 31.4202 177.8641 68 L 4.4941 8.4649 118.6994 58.1055 41.5086 179.8650 69 G 3.7860 8.6043 105.4477 47.1434 0.0000 175.6505 70 A 4.1253 8.0244 122.5125 55.0004 17.8831 179.4395 71 F 3.8398 8.7819 117.0475 60.9994 38.7055 178.1970 72 S 4.6407 8.8519 113.9191 61.3372 62.8087 176.4356 73 D 4.4131 7.8039 121.2832 57.1529 40.6327 178.8416 74 G 3.5158 8.3238 106.5098 47.8007 0.0000 175.3491 75 L 4.0266 8.9816 121.8402 57.4650 41.9659 178.3582 76 A 4.3072 7.9282 119.4700 53.2816 19.8214 176.9806 77 H 5.0615 8.4660 115.1200 54.5424 29.5214 175.2579 78 L 3.9574 8.2461 121.9910 58.1916 42.0480 179.0457 79 D 4.5473 8.1772 115.8642 56.3078 39.7501 176.9981 80 N 4.9901 8.1640 116.9779 50.2580 39.4152 174.0608 81 L 4.2213 8.3275 124.2888 56.7906 42.0055 178.8453 82 K 4.0100 8.2290 117.4220 60.1774 32.2359 178.5776 83 G 3.8696 7.4212 104.7465 48.1807 0.0000 175.0121 84 T 3.6792 7.8022 112.3058 64.4246 68.4145 176.2549 85 F 4.3217 8.1216 119.1804 56.9284 39.1948 177.5302 86 A 3.7687 8.9364 119.2401 57.3823 17.9090 179.8532 87 T 3.6105 7.9219 106.8484 63.7930 69.4101 176.5108 88 L 3.9655 8.0149 121.4548 58.0140 41.6452 179.1647 89 S 4.1037 8.3008 112.5824 61.4226 62.3211 175.4374 90 E 3.8768 7.5994 121.6034 59.4835 29.2930 178.2851 91 L 3.8796 7.9874 119.8882 58.7780 41.9936 178.8891 92 H 4.2234 8.0857 115.5035 59.1001 28.8544 177.7735 93 C 4.2279 8.4972 118.7742 63.6542 27.9079 174.9568 94 D 4.6165 8.3508 120.0242 56.0200 40.9323 177.9430 95 K 4.0450 8.2007 122.5226 59.8499 32.9605 178.6277 96 L 4.1624 8.3528 117.5183 56.0807 42.1881 175.7926 97 H 4.4633 8.1506 115.1127 55.7492 25.5058 173.0776 98 V 4.1428 7.3075 118.7215 60.1342 33.5934 174.8462 99 D 4.0021 8.4018 126.6493 53.6391 41.8088 174.9771 100 P 4.2083 0.0000 0.0000 65.8503 31.2040 178.1165 101 E 3.9239 10.2618 117.9880 59.4421 29.3977 178.7721 102 N 4.2555 8.0249 116.6373 56.0502 38.4895 177.1900 103 F 4.3714 7.3706 118.7018 60.6985 39.0457 177.1699 104 R 3.9349 7.9491 118.1584 59.6547 29.6907 178.3245 105 L 3.7961 7.8481 118.3038 57.7522 41.3896 178.9982 106 L 4.0559 8.2329 119.2462 58.3532 42.1120 178.9803 107 G 3.8957 8.3764 105.3251 48.2025 0.0000 175.2700 108 N 4.4013 8.2788 120.0084 55.7435 38.7109 177.7951 109 V 3.8632 8.2131 120.1476 63.8934 31.7375 177.5022 110 L 4.1277 8.1619 120.7940 56.3239 41.9069 178.2948 111 V 3.6648 7.3665 117.5439 65.9715 31.9459 176.9636 112 C 3.8850 8.2729 116.9399 63.1435 28.0053 176.5778 113 V 3.5064 7.5617 119.1454 65.9410 31.0896 178.0945 114 L 3.7747 7.4234 118.0435 57.4410 40.7683 179.3190 115 A 3.5564 7.4832 121.1998 55.0888 18.0108 179.1497 116 H 4.1395 7.4971 115.5296 59.6426 29.9923 177.1193 117 H 3.8996 7.6975 116.7744 58.6969 28.9787 177.1016 118 F 4.7269 7.8135 117.4622 56.1794 39.0594 177.9541 119 G 3.8377 8.3567 109.0711 45.6936 0.0000 177.5738 120 K 4.0189 9.0432 125.4330 59.1172 31.9519 177.6180 121 E 3.9828 8.1165 117.6971 59.0858 29.4530 176.8541 122 F 4.4564 8.5048 121.4651 57.7463 38.3710 175.0803 123 T 4.5378 7.7738 118.8415 59.4381 71.9233 173.2977 124 P 4.2894 0.0000 0.0000 65.7824 31.3521 177.1702 125 P 4.2037 0.0000 0.0000 65.2741 31.2941 178.7986 126 V 3.4362 7.3336 116.7115 65.9071 31.4272 177.6630 127 Q 3.7113 8.4886 120.0191 59.0794 28.7331 177.9397 128 A 3.9704 8.1425 121.7676 55.3745 18.3203 179.2598 129 A 3.8590 7.8967 118.6238 55.6604 18.3842 179.3409 130 Y 3.7945 8.1125 115.0027 61.4690 38.1248 178.7711 131 Q 3.9338 8.8990 119.1574 59.2296 28.9197 179.6469 132 K 3.9592 7.8637 119.9868 59.4676 32.3025 179.0509 133 V 3.5686 7.8535 118.6923 66.0960 31.3319 178.1842 134 V 3.7483 8.8449 118.5449 65.8458 31.3749 177.8747 135 A 4.0875 8.0725 120.3675 54.9396 18.1340 179.6853 136 G 3.5101 7.9239 103.9383 47.9949 0.0000 175.8579 137 V 2.9833 7.5504 121.1429 65.2419 31.2951 177.4594 138 A 3.7876 7.8993 120.3724 55.7223 18.2385 179.4167 139 N 4.3490 8.6917 114.3564 56.3540 38.3616 177.5623 140 A 4.0637 7.8429 121.7945 54.3732 18.5921 178.6810 141 L 4.0989 7.2936 114.6658 55.2708 41.3834 177.8755 142 A 4.4973 7.3771 121.5392 54.0186 19.4636 179.4334 143 H 4.8550 8.0302 113.5606 56.3141 27.9730 176.1365 144 K 4.6193 9.6842 116.1019 56.1656 33.5544 175.9249 145 Y 4.7866 7.5801 119.3987 57.7585 39.3348 174.7614 146 H 4.5254 8.3774 120.6527 56.3476 28.9828 175.0752 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 V 8.05 4.14 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 0.92 0.00 0.00 0.90 0.00 0.00 2 H 9.03 3.92 0.00 3.15 3.02 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.00 4.19 0.00 1.83 1.71 0.88 0.78 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 4 T 9.71 4.19 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 1.17 0.00 0.00 5 P 0.00 3.79 0.00 2.15 2.10 0.00 3.54 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 6 E 7.94 4.28 0.00 2.13 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 0.00 2.32 2.17 0.00 7 E 7.81 3.85 0.00 2.26 1.94 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 2.27 2.29 0.00 8 K 8.71 3.81 0.00 1.78 1.87 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.60 7.81 9 S 7.96 4.06 0.00 4.06 4.09 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 10 A 7.75 3.96 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 11 V 7.56 3.14 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 0.59 0.00 0.00 0.17 0.00 0.00 12 T 8.03 3.68 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 1.27 0.00 0.00 13 A 7.14 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 14 L 7.90 3.74 0.00 1.86 2.14 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.92 4.55 0.00 3.78 3.36 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 16 G 7.67 3.89 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 0.00 0.00 0.00 17 K 7.87 4.56 0.00 2.03 1.98 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 18 V 7.48 3.90 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 0.22 0.00 0.00 0.61 0.00 0.00 19 N 8.35 4.45 0.00 2.73 2.62 0.00 0.00 6.81 7.71 0.00 0.00 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 V 8.11 3.45 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 1.04 0.00 0.00 0.89 0.00 0.00 21 D 7.85 4.21 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.14 4.34 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 2.44 2.38 0.00 23 V 7.46 3.52 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 0.97 0.00 0.00 0.57 0.00 0.00 24 G 7.74 3.74 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 0.00 0.00 0.00 25 G 7.86 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 0.00 0.00 0.00 26 E 7.68 3.83 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 2.29 2.44 0.00 27 A 8.25 4.12 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 28 L 7.93 4.06 0.00 1.77 1.77 0.63 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.44 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 0.00 0.00 0.00 30 R 8.66 3.83 0.00 1.76 1.94 0.00 3.09 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 31 L 7.57 4.01 0.00 1.77 1.84 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.86 4.03 0.00 1.67 1.68 0.58 0.77 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 33 V 7.61 3.63 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 0.69 0.00 0.00 0.91 0.00 0.00 34 V 9.14 3.46 1.58 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 -0.02 0.00 0.00 0.74 0.00 0.00 35 Y 7.37 3.93 0.00 2.57 1.52 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 0.00 0.00 0.00 0.00 36 P 0.00 4.34 0.00 2.38 2.30 0.00 3.06 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 37 W 7.87 4.28 0.00 3.64 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.27 4.20 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 1.07 0.00 0.00 39 Q 8.29 4.17 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 40 R 7.44 4.37 0.00 1.68 1.97 0.00 2.92 0.00 0.00 2.78 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.66 0.00 41 F 7.66 4.14 0.00 2.28 2.39 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 42 F 8.31 4.68 0.00 2.71 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 0.00 0.00 0.00 0.00 43 E 8.09 4.05 0.00 1.99 2.01 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 2.35 2.25 0.00 44 S 8.19 4.26 0.00 4.24 4.12 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 45 F 7.89 4.50 0.00 3.14 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 46 G 7.85 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 47 D 8.65 4.41 0.00 2.65 2.63 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 48 L 8.34 4.86 0.00 1.64 1.60 1.04 1.03 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 49 S 8.72 4.21 0.00 3.86 3.95 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 0.00 0.00 0.00 50 T 7.43 4.62 4.36 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 1.20 0.00 0.00 51 P 0.00 4.26 0.00 2.15 2.08 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 52 D 8.05 3.87 0.00 2.75 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 53 A 7.97 3.92 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 54 V 7.97 3.69 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 1.10 0.00 0.00 1.03 0.00 0.00 55 M 8.70 4.14 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 56 G 8.24 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.03 4.62 0.00 2.97 2.86 0.00 0.00 6.93 7.28 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 58 P 0.00 4.18 0.00 2.22 2.25 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 59 K 7.89 3.55 0.00 1.43 0.74 0.00 1.37 0.00 0.00 1.29 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.49 7.81 60 V 7.88 3.76 2.39 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 1.01 0.00 0.00 1.08 0.00 0.00 61 K 8.51 3.84 0.00 1.84 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.55 7.81 62 A 8.40 3.98 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 63 H 8.50 4.42 0.00 3.58 3.53 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.13 4.30 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 0.00 65 K 7.81 3.94 0.00 1.96 1.96 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.64 7.81 66 K 7.53 3.94 0.00 2.10 1.84 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.55 7.81 67 V 8.16 3.70 2.33 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 1.41 0.00 0.00 1.03 0.00 0.00 68 L 8.46 4.49 0.00 1.98 1.96 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.60 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.02 4.13 1.54 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 0.00 0.00 71 F 8.78 3.84 0.00 3.37 3.20 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 72 S 8.85 4.64 0.00 4.26 4.65 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 73 D 7.80 4.41 0.00 2.80 2.47 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 0.00 0.00 0.00 0.00 74 G 8.32 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.98 4.03 0.00 1.60 1.51 -0.24 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.93 4.31 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.47 5.06 0.00 3.03 3.19 0.00 5.68 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 78 L 8.25 3.96 0.00 1.60 1.74 0.84 1.15 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 79 D 8.18 4.55 0.00 2.76 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 80 N 8.16 4.99 0.00 2.76 2.66 0.00 0.00 7.23 6.08 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 81 L 8.33 4.22 0.00 1.73 1.82 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.23 4.01 0.00 1.92 1.98 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 83 G 7.42 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 0.00 0.00 0.00 84 T 7.80 3.68 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 0.73 0.00 0.00 85 F 8.12 4.32 0.00 3.05 2.96 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 86 A 8.94 3.77 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 87 T 7.92 3.61 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 88 L 8.01 3.97 0.00 1.97 1.90 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.30 4.10 0.00 3.98 3.86 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 90 E 7.60 3.88 0.00 2.02 1.97 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 2.32 2.35 0.00 91 L 7.99 3.88 0.00 1.82 1.58 0.80 0.92 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 92 H 8.09 4.22 0.00 3.40 3.87 0.00 5.87 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 93 C 8.50 4.23 0.00 3.14 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 94 D 8.35 4.62 0.00 2.75 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 95 K 8.20 4.04 0.00 1.72 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.40 7.81 96 L 8.35 4.16 0.00 1.53 1.76 0.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.15 4.46 0.00 3.42 3.43 0.00 5.58 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.31 4.14 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 -0.08 0.00 0.00 0.02 0.00 0.00 99 D 8.40 4.00 0.00 2.60 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 0.00 100 P 0.00 4.21 0.00 2.07 2.12 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 101 E 10.26 3.92 0.00 2.20 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 2.28 2.39 0.00 102 N 8.02 4.26 0.00 2.39 2.62 0.00 0.00 6.95 8.59 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 0.00 103 F 7.37 4.37 0.00 3.23 2.95 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 0.00 0.00 0.00 104 R 7.95 3.93 0.00 2.08 2.08 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 105 L 7.85 3.80 0.00 1.56 1.13 0.71 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.23 4.06 0.00 1.65 2.05 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.38 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 0.00 108 N 8.28 4.40 0.00 2.84 2.95 0.00 0.00 6.90 7.84 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 0.00 109 V 8.21 3.86 2.16 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 0.96 0.00 0.00 0.97 0.00 0.00 110 L 8.16 4.13 0.00 1.63 1.69 0.82 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.37 3.66 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 1.35 0.00 0.00 1.12 0.00 0.00 112 C 8.27 3.89 0.00 3.21 2.94 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 0.00 113 V 7.56 3.51 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 0.87 0.00 0.00 0.89 0.00 0.00 114 L 7.42 3.77 0.00 0.89 1.31 0.50 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.48 3.56 1.24 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 0.00 0.00 116 H 7.50 4.14 0.00 3.02 3.35 0.00 5.78 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 0.00 117 H 7.70 3.90 0.00 2.53 2.43 0.00 5.72 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 0.00 118 F 7.81 4.73 0.00 3.36 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 0.00 119 G 8.36 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 0.00 0.00 0.00 120 K 9.04 4.02 0.00 1.79 1.94 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 121 E 8.12 3.98 0.00 2.49 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 0.00 2.39 2.34 0.00 122 F 8.50 4.46 0.00 3.06 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 0.00 123 T 7.77 4.54 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 1.28 0.00 0.00 124 P 0.00 4.29 0.00 2.17 2.18 0.00 3.58 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 2.24 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.33 3.44 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 0.99 0.00 0.00 0.85 0.00 0.00 127 Q 8.49 3.71 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 128 A 8.14 3.97 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 0.00 129 A 7.90 3.86 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.11 3.79 0.00 3.31 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 0.00 131 Q 8.90 3.93 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 132 K 7.86 3.96 0.00 1.92 1.81 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.49 7.81 133 V 7.85 3.57 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 0.96 0.00 0.00 0.76 0.00 0.00 134 V 8.84 3.75 2.44 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 1.12 0.00 0.00 1.18 0.00 0.00 135 A 8.07 4.09 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 0.00 136 G 7.92 3.51 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 0.00 137 V 7.55 2.98 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 -0.30 0.00 0.00 0.66 0.00 0.00 138 A 7.90 3.79 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 0.00 139 N 8.69 4.35 0.00 3.02 2.92 0.00 0.00 7.04 8.02 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 0.00 140 A 7.84 4.06 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 0.00 141 L 7.29 4.10 0.00 0.66 0.98 0.08 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.38 4.50 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 0.00 143 H 8.03 4.85 0.00 3.30 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.68 4.62 0.00 1.73 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 145 Y 7.58 4.79 0.00 2.88 2.78 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 0.00 0.00 0.00 146 H 8.38 4.53 0.00 3.30 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00