NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3788 8.3044 120.3461 55.5174 33.3863 174.1677 2 H 4.5948 8.7695 125.2278 53.7354 32.0880 171.2539 3 L 4.9305 7.7963 125.9771 52.5118 45.8483 176.3507 4 T 4.1605 8.9386 111.5720 60.9422 70.8255 173.7195 5 P 4.1980 0.0000 0.0000 66.0847 31.3149 178.7963 6 E 3.9677 8.0745 116.6171 59.4821 29.4986 179.1336 7 E 3.9230 8.3739 118.9748 59.2184 29.5324 179.3625 8 K 3.8665 8.3762 120.1905 59.4448 32.3098 178.9173 9 S 4.1010 8.2325 113.3278 61.1265 61.7431 175.9611 10 A 4.0153 7.9768 123.7225 54.9610 18.0953 179.8909 11 V 3.3633 7.5639 116.8946 66.3884 31.6716 178.5319 12 T 4.0497 8.0153 109.3440 64.4536 68.3950 176.5135 13 A 3.9746 7.7917 122.8625 55.1100 18.8166 179.0534 14 L 3.8952 7.7234 118.0463 58.0136 42.1514 178.9820 15 W 4.4021 8.6509 128.5060 60.1609 30.4275 178.0714 16 G 3.8223 8.0608 104.5502 46.7409 0.0000 174.0774 17 K 4.4169 7.6321 118.1391 56.0774 32.9186 176.4172 18 V 3.7165 7.2507 120.3803 61.9427 32.0227 175.5200 19 N 4.4763 8.3677 125.6908 52.5369 39.1814 175.2763 20 V 3.4877 8.2106 128.7289 66.0900 31.7098 177.2253 21 D 4.3508 8.2129 118.2718 57.3564 40.8718 178.5247 22 E 3.8742 7.9205 117.3151 59.5664 29.6933 179.1254 23 V 3.5570 7.8492 119.8876 65.2659 31.5505 178.2007 24 G 3.6918 8.5262 106.1644 47.7119 0.0000 175.9390 25 G 3.5771 7.9405 107.8088 47.4978 0.0000 175.4817 26 E 3.8855 8.0933 121.4052 58.7693 29.6446 178.7910 27 A 3.9068 8.2542 121.2414 55.0663 18.5061 179.4064 28 L 3.9824 7.9827 119.0810 58.1353 42.1441 179.3875 29 G 3.5660 7.9958 105.7018 47.9747 0.0000 175.9583 30 R 3.8968 8.2205 120.9369 58.5328 30.0162 178.7952 31 L 4.0122 8.0110 120.3081 58.3931 41.9786 179.2209 32 L 4.1088 7.9442 119.8323 56.6604 41.2282 179.5877 33 V 3.5887 7.3073 117.7860 65.5994 31.7299 177.8534 34 V 3.5753 7.8182 116.9477 64.0147 32.8299 175.5959 35 Y 3.8843 7.2359 115.9804 54.4063 37.8145 174.2349 36 P 4.6922 0.0000 0.0000 63.9497 31.9824 178.2273 37 W 4.4087 7.9019 116.8025 59.1669 28.3087 177.5918 38 T 4.2903 7.9064 110.8853 63.7823 68.3644 175.9441 39 Q 4.4779 8.0697 121.5182 57.8112 28.4886 178.0097 40 R 3.8416 7.6006 116.7349 58.3658 29.3454 177.7191 41 F 4.4304 7.0359 115.9274 57.0393 39.6564 175.5599 42 F 4.4980 7.8098 118.4870 56.7417 39.5749 177.2892 43 E 4.0205 8.3622 122.6321 59.5068 29.5112 178.9847 44 S 4.6557 8.0590 110.2383 58.9092 63.3318 174.5422 45 F 4.6127 8.4077 119.7096 58.3124 40.0289 177.0056 46 G 3.9523 7.4909 107.1291 44.8067 0.0000 175.3156 47 D 4.4762 8.6200 126.9730 54.3944 40.5542 175.2706 48 L 4.8621 8.2882 125.8260 54.3584 42.8849 178.2213 49 S 4.3017 8.2511 117.1235 60.6121 63.3863 174.8998 50 T 4.7298 7.4508 109.6888 58.1588 73.0245 172.6759 51 P 4.1828 0.0000 0.0000 66.2415 31.4219 178.7706 52 D 4.4673 8.0895 116.6343 57.0113 40.4873 178.6337 53 A 3.9120 7.7204 120.6155 55.1336 18.7200 179.3259 54 V 3.6893 8.1938 117.0980 66.7478 31.3597 178.2164 55 M 4.2507 8.5376 117.1540 57.4581 31.8816 177.9501 56 G 4.0159 7.6622 103.4532 43.3788 0.0000 173.0200 57 N 4.5352 7.4969 121.5322 52.2357 39.5445 174.1419 58 P 4.2738 0.0000 0.0000 65.8660 31.3429 178.6671 59 K 3.7865 8.2412 118.2585 58.7030 31.7899 179.5505 60 V 3.6515 7.7790 118.4080 65.9566 31.5733 178.0530 61 K 3.9829 7.9362 117.7296 59.3027 31.9422 179.3071 62 A 3.9458 7.9692 121.1024 55.4575 18.3560 179.2449 63 H 4.3528 8.5803 117.2099 59.0482 29.8698 177.4778 64 G 3.7036 8.5467 108.2116 47.9504 0.0000 175.4155 65 K 3.9288 7.9999 122.7331 58.7802 32.2646 178.7520 66 K 4.0027 8.0322 119.9059 59.4373 32.1076 178.7949 67 L 4.1742 8.0906 120.1504 58.5565 40.6059 178.7464 68 L 4.2926 8.4137 121.0836 57.3130 41.9900 179.1217 69 G 3.7307 8.4249 106.0807 47.8928 0.0000 175.6567 70 A 4.1644 8.1402 122.9890 54.6339 18.1488 179.4860 71 F 4.1628 8.4790 118.9291 61.5283 39.7798 176.8192 72 S 4.3217 8.9229 113.1912 61.8620 62.1740 176.0345 73 D 4.4942 8.3319 121.5110 57.2050 40.5272 178.9500 74 G 3.4742 7.9230 105.8510 47.5559 0.0000 175.4439 75 L 3.8420 7.3336 119.4930 56.4039 41.6141 178.1732 76 A 4.3277 7.6264 119.3561 52.3493 19.7085 176.5078 77 H 4.9139 7.8979 115.1645 54.8428 29.7943 175.5652 78 L 3.9006 7.9738 119.9391 57.5322 41.8108 178.5570 79 D 4.6750 7.8957 116.4109 55.7485 41.9695 176.3446 80 N 5.0011 8.1139 118.1008 51.5764 40.0569 174.8163 81 L 4.0721 7.8319 122.7710 57.6891 41.9814 179.3001 82 K 4.0671 8.1500 118.2044 59.6480 31.8351 179.4448 83 G 3.4201 7.9155 103.9694 48.0016 0.0000 175.6281 84 T 3.8242 7.6576 117.2579 65.6216 68.6747 175.8956 85 F 4.7491 7.9906 117.0356 57.1616 39.2687 177.4376 86 A 4.0863 7.5149 123.3070 55.6916 18.1550 180.6021 87 T 3.8645 7.8141 113.6237 66.8590 68.6785 176.9795 88 L 4.1557 7.9829 120.4018 57.5192 41.6496 179.3723 89 S 4.3077 8.6932 113.6588 61.6232 62.4528 176.0311 90 E 3.9003 8.2356 121.2340 59.2359 29.1850 179.1101 91 L 3.9113 7.9787 120.3105 58.6848 42.1656 178.9226 92 H 4.2510 8.4921 115.9192 58.6096 28.5366 177.2648 93 C 3.5006 7.7571 120.9021 62.2436 31.1872 175.2480 94 D 4.4434 8.3576 119.9444 56.0455 40.6495 177.6326 95 K 4.2398 7.6758 116.8736 57.8834 33.3502 177.5806 96 L 4.1173 7.7287 116.8611 55.2378 42.1277 176.4021 97 H 4.1504 7.2476 113.0213 56.6750 26.5015 175.2180 98 V 3.6949 7.8726 118.8778 60.9877 32.2704 174.7966 99 D 4.3212 8.7440 127.2739 53.9733 41.4897 175.1372 100 P 3.1396 0.0000 0.0000 64.0854 31.8030 177.8740 101 E 3.8459 8.2034 119.4389 59.3009 29.2826 178.3815 102 N 4.3014 7.9795 116.4873 56.1326 38.4683 177.3069 103 F 4.4928 7.5424 119.4404 60.5207 38.9250 177.9780 104 R 3.9999 7.9353 117.3921 59.0753 29.9589 178.8285 105 L 3.8232 7.7934 118.7946 57.7428 41.5972 179.3150 106 L 4.0751 8.1906 120.4113 57.9186 41.9819 179.0133 107 G 3.7645 8.1313 105.7393 48.2635 0.0000 175.4328 108 N 4.4972 8.2316 119.3355 55.6964 38.4509 177.8686 109 V 3.6372 8.0800 119.9577 65.7428 31.5369 177.7693 110 L 3.8572 8.3521 120.6348 58.1862 41.9237 179.1015 111 V 3.5379 7.8986 118.0851 66.2644 31.4191 177.7451 112 C 4.1254 8.1077 116.4645 62.8013 27.8721 176.3354 113 V 3.5248 7.9200 120.0483 65.8511 31.0686 178.1114 114 L 3.8690 7.9462 118.7855 57.6076 41.3556 179.2653 115 A 3.7806 7.2510 120.6076 55.3500 18.0570 179.2350 116 H 4.1145 7.9174 115.7720 59.5875 30.0171 176.7553 117 H 4.0043 8.2598 119.4725 58.5384 29.8923 176.4072 118 F 4.6159 8.5895 118.0963 56.4474 39.9127 177.1311 119 G 3.8545 8.6642 108.6124 46.0795 0.0000 177.4284 120 K 4.0289 8.8612 122.0952 59.2888 32.4965 177.9824 121 E 4.0642 7.9293 120.0398 58.5122 29.9877 177.0762 122 F 4.5478 8.1366 123.1696 57.0888 37.8709 175.2544 123 T 4.1922 7.3522 115.6696 60.1917 71.3926 173.5303 124 P 4.1689 0.0000 0.0000 65.6058 31.3149 177.2695 125 P 4.2425 0.0000 0.0000 65.3386 31.2557 178.9025 126 V 3.5569 7.3437 116.1150 65.7426 31.3942 177.7994 127 Q 3.5558 7.9430 119.5590 59.0712 28.9080 178.1914 128 A 4.0656 8.0744 121.4661 55.1170 18.4915 179.4903 129 A 3.9132 8.0032 119.2696 55.6078 18.4617 179.5586 130 Y 3.8920 8.1463 115.2920 61.1445 38.0450 178.5234 131 Q 4.2038 8.8320 119.5965 58.8880 28.7940 179.0688 132 K 3.9797 7.9657 119.0403 59.3877 32.0237 179.5556 133 V 3.5167 7.6142 118.0301 66.2343 31.4331 178.6068 134 V 3.8142 8.5007 112.2009 64.1460 31.2409 178.5083 135 A 4.1182 8.1316 120.8734 54.9551 18.2050 179.9174 136 G 3.4863 8.2483 104.4002 47.8484 0.0000 176.2115 137 V 3.3562 8.0701 120.7391 65.5298 31.6692 177.9250 138 A 3.8528 8.1243 120.7025 55.2922 18.0116 179.1899 139 N 4.3080 8.2841 114.4618 56.5605 39.1415 176.7201 140 A 4.1526 7.9897 122.4804 55.1159 18.2834 179.6078 141 L 3.8279 7.8112 116.2636 56.8913 41.9217 178.4900 142 A 4.4522 7.7007 118.8730 52.7164 18.8794 178.4297 143 H 4.3099 7.9958 117.4618 58.5737 29.9814 175.8155 144 K 4.4825 8.0074 117.7230 56.3061 32.0443 176.3064 145 Y 4.1881 7.9456 117.1768 58.4661 38.4174 175.6889 146 H 4.4328 8.3954 117.4378 56.2504 28.1563 173.3865 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 M 8.30 4.38 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 2 H 8.77 4.59 0.00 3.17 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.80 4.93 0.00 1.53 1.56 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.94 4.16 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 1.26 0.00 0.00 5 P 0.00 4.20 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 E 8.07 3.97 0.00 2.03 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 2.39 2.45 0.00 7 E 8.37 3.92 0.00 2.07 1.92 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 2.29 2.28 0.00 8 K 8.38 3.87 0.00 1.84 1.74 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.34 7.81 9 S 8.23 4.10 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.98 4.02 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 11 V 7.56 3.36 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 0.68 0.00 0.00 0.42 0.00 0.00 12 T 8.02 4.05 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 1.20 0.00 0.00 13 A 7.79 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 14 L 7.72 3.90 0.00 1.86 1.95 0.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.65 4.40 0.00 3.83 3.21 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 0.00 16 G 8.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.63 4.42 0.00 1.91 2.01 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.37 7.81 18 V 7.25 3.72 1.15 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 0.08 0.00 0.00 0.79 0.00 0.00 19 N 8.37 4.48 0.00 2.79 2.59 0.00 0.00 6.83 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 8.21 3.49 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 1.18 0.00 0.00 1.04 0.00 0.00 21 D 8.21 4.35 0.00 2.81 2.68 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 22 E 7.92 3.87 0.00 2.14 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 0.00 2.17 2.23 0.00 23 V 7.85 3.56 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 1.00 0.00 0.00 0.68 0.00 0.00 24 G 8.53 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 25 G 7.94 3.58 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 0.00 0.00 0.00 26 E 8.09 3.89 0.00 2.06 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 2.31 0.00 27 A 8.25 3.91 1.29 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 0.00 0.00 0.00 28 L 7.98 3.98 0.00 1.76 1.63 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.00 3.57 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 0.00 30 R 8.22 3.90 0.00 1.86 1.92 0.00 3.07 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 31 L 8.01 4.01 0.00 1.87 1.90 1.00 0.59 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 32 L 7.94 4.11 0.00 1.83 1.68 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.31 3.59 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 0.71 0.00 0.00 0.93 0.00 0.00 34 V 7.82 3.58 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 0.07 0.00 0.00 0.73 0.00 0.00 35 Y 7.24 3.88 0.00 2.62 1.43 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 36 P 0.00 4.69 0.00 2.32 2.29 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 37 W 7.90 4.41 0.00 3.56 3.49 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 38 T 7.91 4.29 4.43 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 1.13 0.00 0.00 39 Q 8.07 4.48 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 40 R 7.60 3.84 0.00 1.66 1.95 0.00 2.94 0.00 0.00 2.49 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.04 4.43 0.00 1.93 2.45 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 0.00 0.00 0.00 0.00 42 F 7.81 4.50 0.00 2.83 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 8.36 4.02 0.00 1.99 2.02 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 2.33 2.21 0.00 44 S 8.06 4.66 0.00 4.11 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 45 F 8.41 4.61 0.00 3.21 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 46 G 7.49 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 0.00 0.00 0.00 47 D 8.62 4.48 0.00 2.65 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 48 L 8.29 4.86 0.00 1.74 1.62 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.25 4.30 0.00 3.93 4.01 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 50 T 7.45 4.73 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 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 52 D 8.09 4.47 0.00 2.67 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 7.72 3.91 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 54 V 8.19 3.69 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 0.99 0.00 0.00 0.99 0.00 0.00 55 M 8.54 4.25 0.00 1.94 2.08 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 2.59 2.86 0.00 56 G 7.66 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 0.00 0.00 0.00 57 N 7.50 4.54 0.00 2.95 2.84 0.00 0.00 6.93 8.87 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 58 P 0.00 4.27 0.00 2.24 2.25 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 8.24 3.79 0.00 1.50 0.74 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 1.21 7.81 60 V 7.78 3.65 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 1.03 0.00 0.00 1.01 0.00 0.00 61 K 7.94 3.98 0.00 2.00 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.58 7.81 62 A 7.97 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.35 0.00 3.54 3.51 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 8.55 3.70 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 0.00 0.00 0.00 65 K 8.00 3.93 0.00 1.86 2.07 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 66 K 8.03 4.00 0.00 1.95 2.08 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 L 8.09 4.17 0.00 2.04 1.92 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.41 4.29 0.00 1.97 1.83 0.78 1.01 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 69 G 8.42 3.73 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 0.00 0.00 0.00 70 A 8.14 4.16 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 0.00 0.00 71 F 8.48 4.16 0.00 3.14 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 72 S 8.92 4.32 0.00 4.57 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 0.00 73 D 8.33 4.49 0.00 2.81 2.68 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 74 G 7.92 3.47 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 0.00 75 L 7.33 3.84 0.00 1.48 1.40 -0.56 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.63 4.33 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 77 H 7.90 4.91 0.00 3.09 3.13 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.97 3.90 0.00 1.53 1.64 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.90 4.67 0.00 2.62 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 80 N 8.11 5.00 0.00 2.62 2.59 0.00 0.00 7.07 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 81 L 7.83 4.07 0.00 1.76 1.85 0.88 0.97 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 82 K 8.15 4.07 0.00 1.76 1.83 0.00 1.50 0.00 0.00 1.12 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.44 7.81 83 G 7.92 3.42 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 0.00 84 T 7.66 3.82 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 0.56 0.00 0.00 85 F 7.99 4.75 0.00 3.14 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 86 A 7.51 4.09 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 87 T 7.81 3.86 4.26 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 1.22 0.00 0.00 88 L 7.98 4.16 0.00 2.02 1.87 1.13 0.90 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 89 S 8.69 4.31 0.00 4.01 4.14 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 90 E 8.24 3.90 0.00 2.21 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 2.52 0.00 91 L 7.98 3.91 0.00 1.78 1.88 0.90 1.08 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 92 H 8.49 4.25 0.00 3.66 3.75 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.76 3.50 0.00 1.23 2.52 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 94 D 8.36 4.44 0.00 2.70 2.68 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 95 K 7.68 4.24 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.36 7.81 96 L 7.73 4.12 0.00 1.74 1.64 0.74 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.25 4.15 0.00 3.46 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.87 3.69 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 0.08 0.00 0.00 0.50 0.00 0.00 99 D 8.74 4.32 0.00 2.79 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 0.00 100 P 0.00 3.14 0.00 1.92 1.78 0.00 3.38 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.00 101 E 8.20 3.85 0.00 2.03 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 2.31 2.40 0.00 102 N 7.98 4.30 0.00 2.43 2.69 0.00 0.00 6.92 7.75 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 0.00 103 F 7.54 4.49 0.00 3.08 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 0.00 104 R 7.94 4.00 0.00 1.90 1.98 0.00 3.12 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 1.75 1.96 0.00 105 L 7.79 3.82 0.00 1.74 1.41 0.66 0.01 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 0.00 106 L 8.19 4.08 0.00 1.90 1.88 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.13 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 0.00 108 N 8.23 4.50 0.00 2.93 2.95 0.00 0.00 6.74 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 8.08 3.64 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 1.13 0.00 0.00 1.15 0.00 0.00 110 L 8.35 3.86 0.00 1.72 1.85 0.89 0.38 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 0.00 111 V 7.90 3.54 2.32 0.00 0.00 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 0.00 0.00 1.16 0.00 0.00 112 C 8.11 4.13 0.00 3.19 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 7.92 3.52 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 1.00 0.00 0.00 0.94 0.00 0.00 114 L 7.95 3.87 0.00 1.00 1.13 0.59 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.25 3.78 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 0.00 116 H 7.92 4.11 0.00 3.17 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.26 4.00 0.00 2.90 2.73 0.00 5.98 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 8.59 4.62 0.00 3.23 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 0.00 119 G 8.66 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 0.00 120 K 8.86 4.03 0.00 1.89 2.01 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.54 7.81 121 E 7.93 4.06 0.00 1.98 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 0.00 2.33 2.26 0.00 122 F 8.14 4.55 0.00 3.05 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 0.00 123 T 7.35 4.19 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 1.30 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.14 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 P 0.00 4.24 0.00 2.11 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.34 3.56 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 1.02 0.00 0.00 0.89 0.00 0.00 127 Q 7.94 3.56 0.00 1.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 128 A 8.07 4.07 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 0.00 129 A 8.00 3.91 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 0.00 130 Y 8.15 3.89 0.00 3.36 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 0.00 131 Q 8.83 4.20 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 132 K 7.97 3.98 0.00 1.97 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.60 7.81 133 V 7.61 3.52 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 0.97 0.00 0.00 0.74 0.00 0.00 134 V 8.50 3.81 2.20 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 0.95 0.00 0.00 1.13 0.00 0.00 135 A 8.13 4.12 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.25 3.49 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 0.00 137 V 8.07 3.36 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 0.61 0.00 0.00 0.66 0.00 0.00 138 A 8.12 3.85 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.28 4.31 0.00 2.81 2.85 0.00 0.00 7.24 8.78 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 0.00 140 A 7.99 4.15 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 0.00 141 L 7.81 3.83 0.00 0.94 0.57 -0.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.70 4.45 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.31 0.00 3.30 3.48 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.01 4.48 0.00 1.83 1.82 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.76 7.81 145 Y 7.95 4.19 0.00 3.13 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 0.00 146 H 8.40 4.43 0.00 3.21 3.23 0.00 5.75 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