NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2315 8.0327 110.9145 61.4422 70.1421 172.1362 3 V 4.3234 7.8344 121.2013 60.3762 34.3584 173.9949 4 L 4.2560 9.4544 128.7949 53.7482 43.3349 175.6412 5 P 4.2084 0.0000 0.0000 65.7794 31.2048 178.2630 6 K 3.9750 8.0898 114.5524 58.7361 32.4111 175.8051 7 D 4.7744 7.8556 118.9332 52.5044 44.1232 175.5778 *11 D 4.4281 8.1878 118.3745 53.5718 41.6533 174.4718 12 S 4.7495 7.1704 113.3023 56.5538 66.8286 175.3772 13 L 3.9623 8.2935 124.3877 55.0479 43.2571 175.5384 14 K 4.7130 8.6286 125.8205 54.8001 34.2327 175.4505 15 V 4.8130 8.6249 125.2903 61.3106 34.4106 174.2791 16 T 5.1086 8.9186 124.0632 61.7858 72.0973 173.2388 17 V 4.2594 8.9762 127.7020 62.7399 32.6943 176.3714 18 G 4.3139 8.9168 116.5472 45.6485 0.0000 172.1446 19 T 5.9579 8.7037 108.3069 58.9893 72.0280 173.1533 20 A 4.9846 8.4727 123.4113 50.4699 23.1245 174.4032 21 N 5.4286 8.5142 115.6616 51.7259 41.1275 173.5281 22 G 4.1133 8.5854 105.4479 46.2230 0.0000 172.1345 23 K 5.1890 8.8934 118.8913 52.7913 35.0895 174.8822 24 P 4.3907 0.0000 0.0000 64.8699 31.5963 176.4351 25 G 4.0613 9.0793 111.5805 45.3973 0.0000 173.7205 26 D 4.6621 8.1121 119.0916 54.6439 42.2705 175.4220 27 T 5.1610 8.3754 116.7949 62.0862 70.8810 174.1629 28 V 4.6573 9.0051 118.5619 59.8385 36.2644 174.3993 29 T 5.0971 8.4942 118.0673 61.8485 71.0570 173.8990 30 V 4.5079 8.9329 126.9510 60.4689 33.7777 173.1050 31 P 5.1088 0.0000 0.0000 62.4910 33.5774 175.0924 32 V 4.8692 9.0246 121.4526 61.6668 34.0439 174.3076 33 T 5.1320 9.1011 124.7835 61.8598 71.7089 173.1868 34 F 5.6897 9.2465 123.9419 56.0537 41.8761 174.6571 35 A 5.0997 8.4236 122.5642 50.1724 23.2067 175.7463 36 D 4.5713 9.2378 116.4205 55.7226 38.4390 176.9796 37 V 3.5608 8.1726 119.0581 66.3590 31.4626 177.3545 38 A 4.1661 7.9424 119.7754 55.0884 18.0921 179.1673 39 K 3.8675 8.0713 116.7173 59.4992 32.1796 177.5935 40 M 4.3795 7.4315 116.7592 54.4429 32.3142 175.8105 41 K 3.7188 8.4022 119.2690 57.5527 31.0925 176.6398 42 N 4.7802 8.2563 113.7364 52.1674 38.2283 173.1562 43 V 4.6737 8.5994 118.0484 61.6970 33.5424 175.8911 44 G 4.1424 9.1206 115.2918 47.6598 0.0000 172.7557 45 T 5.3534 7.8321 113.2348 61.6303 70.8664 171.9135 46 C 5.1313 9.0443 119.6949 57.4727 33.2184 172.3432 47 N 5.8289 8.7526 117.2770 50.5180 40.8657 173.0182 48 F 4.9731 7.4018 114.0165 56.5564 41.8857 171.9644 49 Y 5.3330 8.8583 115.3341 56.4620 41.8195 174.6304 50 L 5.2902 9.5005 124.2668 53.0720 45.0465 175.6835 51 G 4.6608 9.3690 109.6845 44.9031 0.0000 171.9505 52 Y 5.2194 8.4057 119.6012 55.1059 42.5688 174.0202 53 D 4.5967 8.7059 119.5177 52.8706 40.8019 176.8398 54 A 4.6366 8.5843 130.0693 53.9010 18.5805 178.0929 55 S 4.4438 8.3246 109.4390 59.5445 63.7588 174.8099 56 L 4.7397 8.2894 120.6503 55.0932 44.7375 176.4505 57 L 5.3267 7.9486 116.6045 52.7522 46.2205 175.2745 58 E 4.8777 8.9593 122.3248 54.4772 32.8542 175.0349 59 V 3.9835 8.3858 120.1489 61.2289 31.8818 176.1607 60 V 4.0022 8.7646 126.5232 65.2447 32.2846 175.9164 61 S 4.5633 7.2387 111.6669 57.6076 65.9429 174.7310 62 V 4.7041 8.2399 120.0260 61.4829 33.9245 174.1270 63 D 4.9677 8.9589 127.0491 51.9762 44.6868 175.4585 64 A 3.0192 7.9488 123.6553 51.6546 19.3857 177.4598 65 G 4.1190 8.4845 108.5906 43.2040 0.0000 173.0551 66 P 4.4102 0.0000 0.0000 64.9352 31.2282 177.5255 67 I 3.7995 7.5066 111.1711 62.0428 38.0351 175.6432 68 V 3.9821 7.3028 122.0991 61.3664 31.6614 175.4103 69 K 4.2651 8.6299 126.8883 56.5843 33.6529 175.9572 70 N 4.0993 8.8029 117.6048 54.5824 37.4508 175.5748 71 A 4.1078 7.8557 121.9893 55.2758 19.2750 180.1719 72 A 4.0126 8.0413 117.7590 55.2859 18.7674 178.9177 73 V 3.8108 7.8761 114.3088 65.5584 32.0262 176.5995 74 N 4.7824 8.6482 115.7801 52.8575 39.2325 174.1508 75 F 5.4900 8.4530 120.6325 56.5024 41.9053 174.6579 76 S 4.7967 8.5316 120.7154 57.1999 67.5226 172.9908 77 S 4.6880 8.1627 115.7210 57.6383 66.2510 172.8999 78 S 4.6286 8.3568 113.3609 56.9914 66.0390 172.5844 79 A 5.2480 8.3936 127.2186 50.2652 21.8208 175.5579 80 S 4.3396 9.7415 116.9683 58.4998 66.2449 173.7113 81 N 4.2610 10.0926 127.2811 54.6676 36.9949 174.2653 82 G 2.9477 7.8728 106.0741 44.5171 0.0000 171.7870 83 T 5.1390 7.9713 116.6239 61.6868 72.1068 172.8498 84 I 4.9041 9.2785 127.4293 59.7294 39.8898 174.6258 85 S 4.9521 8.9482 123.8369 56.7711 65.3342 173.1980 86 F 4.7563 8.1940 122.5844 55.3357 42.1646 174.1554 87 L 5.1237 8.6831 124.7753 53.3871 45.4832 174.5837 88 F 5.5304 9.4159 128.3022 56.4231 42.5495 173.3811 89 L 4.3851 7.8977 126.8400 53.0773 45.8891 174.1906 90 D 4.3259 8.4924 126.3508 54.4645 41.1635 176.5229 91 N 4.4174 9.1064 124.9354 55.4611 38.7523 176.7321 92 T 4.0939 8.0201 107.2657 61.8049 69.5536 175.4752 93 I 3.8208 8.1590 128.1375 61.7929 36.4048 174.4118 94 T 4.5792 7.7398 105.5502 61.2583 70.3328 174.0347 95 D 4.8484 8.0553 120.2545 54.5819 42.1027 176.0632 96 E 4.8715 9.0020 119.1386 55.6891 30.5254 176.0477 97 L 4.4506 7.9835 117.3796 54.5442 42.9029 177.3209 98 I 4.1042 8.7743 123.1052 61.4176 37.2768 176.9143 99 T 4.8426 8.8514 113.0401 59.6917 70.4482 173.5832 100 A 4.7983 7.7356 124.2010 50.1329 21.2772 176.0049 101 D 4.7196 8.3265 120.2031 53.8722 42.1796 177.8045 102 G 3.9729 7.6604 108.0123 45.2519 0.0000 171.1143 103 V 4.2071 7.8632 121.2869 62.5602 32.3789 177.9653 104 F 4.0827 9.4018 131.2065 60.5835 40.4963 174.9980 105 A 4.8665 7.7542 117.8344 50.5078 23.0468 174.5776 106 N 5.2233 9.1365 117.7147 51.5275 41.7773 173.6495 107 I 4.5509 8.6898 125.2845 59.6835 39.5015 174.7596 108 K 4.8913 8.5527 127.0084 54.9201 33.9482 175.4627 109 F 5.2593 8.9026 123.7020 55.4854 42.3041 174.3159 110 K 4.8931 9.0713 124.8368 55.4057 34.0170 175.1566 111 L 4.9452 8.9660 127.5561 53.8924 43.5492 176.9527 112 K 4.5545 8.5739 123.5215 55.0506 34.3457 176.1584 113 S 4.4377 8.4739 115.3566 58.8334 62.9308 174.1156 114 V 4.5892 8.0470 117.7479 59.9219 35.3885 175.7627 115 T 4.0808 8.5222 111.9283 63.5945 69.3015 173.9474 116 A 4.4285 7.5813 122.7192 50.4146 21.9641 175.2336 117 K 3.9491 8.6239 120.0410 57.8199 32.4273 175.8438 118 T 4.6328 9.0224 122.3606 62.1611 72.4040 172.9510 119 T 4.8124 8.6643 123.3708 62.4710 69.8694 173.8347 120 T 4.6289 8.9492 122.9890 59.6183 69.2780 172.0154 121 P 4.9622 0.0000 0.0000 62.4313 33.2064 175.8516 122 V 4.6724 8.6469 121.7894 61.6646 33.8059 174.3441 123 T 5.3047 8.6123 117.8406 59.5098 72.5512 173.1692 124 F 4.7721 9.2578 121.6444 57.6140 39.4747 175.6734 125 K 4.7584 9.1602 123.1678 54.6218 34.2762 176.2873 126 D 4.5265 8.6095 121.7985 55.0150 41.3940 175.4697 127 G 4.1750 10.0374 107.8316 44.4665 0.0000 174.1733 128 G 4.1251 10.6294 106.8536 46.3159 0.0000 171.8806 129 A 4.8783 8.5974 118.4172 50.8501 23.2477 175.2075 130 F 5.1752 9.0999 117.3008 55.6124 42.4487 174.9082 131 G 4.5786 9.2898 110.3270 44.5431 0.0000 173.4053 132 D 5.8500 8.3824 122.3375 51.6987 41.5810 176.9274 133 G 3.8140 8.7113 107.8330 47.8402 0.0000 174.3494 134 T 4.4157 8.4553 110.2262 61.3623 68.8922 175.1482 135 M 3.3486 8.3279 119.0701 56.7377 30.1643 176.5689 136 S 4.7564 7.5111 115.1660 56.2461 64.7506 173.8317 137 K 4.2454 8.5532 124.5515 57.0417 32.2813 176.2432 138 I 4.1111 8.5498 127.7394 60.0897 37.0934 175.8427 139 A 4.0875 8.6260 129.6891 54.0767 18.9035 177.1882 140 S 4.8780 7.8648 112.1735 56.7399 65.7541 173.7620 141 V 4.3976 8.4671 124.9226 61.2160 34.1742 174.8181 142 T 4.1280 8.7142 125.8599 62.7027 69.6005 173.9169 143 K 4.4513 8.2668 126.5113 54.6970 33.9751 175.8028 144 T 4.6588 8.6067 122.4341 61.6706 71.1618 174.2050 145 N 5.0778 9.0741 123.6939 53.3845 40.0708 174.6683 146 G 4.7048 8.6681 107.3277 45.8686 0.0000 171.3565 147 S 5.0992 8.1120 112.9676 58.0253 66.2889 174.8634 148 V 4.8237 8.4194 120.2044 61.4128 34.5714 174.1862 149 T 4.9140 8.7748 124.6619 62.3969 70.1703 173.6750 150 I 4.8223 8.9929 128.9275 59.7735 38.8759 174.4574 151 D 5.0981 8.9445 127.6521 51.4839 43.8551 174.0405 152 P 4.4352 0.0000 0.0000 63.0516 31.5753 176.0911 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 2 T 8.03 4.23 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 1.18 0.00 0.00 3 V 7.83 4.32 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 0.77 0.00 0.00 0.82 0.00 0.00 4 L 9.45 4.26 0.00 1.70 1.54 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.21 0.00 2.02 2.13 0.00 3.67 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 2.02 2.09 0.00 6 K 8.09 3.98 0.00 1.84 1.94 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 7 D 7.86 4.77 0.00 2.56 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 *11 D 8.19 4.43 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.17 4.75 0.00 3.74 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 13 L 8.29 3.96 0.00 1.55 1.12 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.63 4.71 0.00 1.63 1.60 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.44 7.81 15 V 8.62 4.81 1.65 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 1.00 0.00 0.00 -0.09 0.00 0.00 16 T 8.92 5.11 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 1.26 0.00 0.00 17 V 8.98 4.26 2.26 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 0.82 0.00 0.00 0.84 0.00 0.00 18 G 8.92 4.31 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 0.00 19 T 8.70 5.96 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 1.24 0.00 0.00 20 A 8.47 4.98 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 21 N 8.51 5.43 0.00 2.67 2.86 0.00 0.00 5.85 7.00 0.00 0.00 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 G 8.59 4.11 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 0.00 0.00 0.00 23 K 8.89 5.19 0.00 1.80 1.71 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.24 7.81 24 P 0.00 4.39 0.00 2.04 2.13 0.00 3.65 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 2.04 2.12 0.00 25 G 9.08 4.06 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 0.00 0.00 0.00 26 D 8.11 4.66 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 5.16 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 1.26 0.00 0.00 28 V 9.01 4.66 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 0.88 0.00 0.00 1.12 0.00 0.00 29 T 8.49 5.10 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 30 V 8.93 4.51 2.38 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 1.29 0.00 0.00 1.18 0.00 0.00 31 P 0.00 5.11 0.00 2.19 2.17 0.00 3.75 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 2.11 1.99 0.00 32 V 9.02 4.87 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 1.06 0.00 0.00 1.06 0.00 0.00 33 T 9.10 5.13 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 1.30 0.00 0.00 34 F 9.25 5.69 0.00 2.83 2.82 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 35 A 8.42 5.10 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.24 4.57 0.00 2.82 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 37 V 8.17 3.56 2.26 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 1.09 0.00 0.00 1.14 0.00 0.00 38 A 7.94 4.17 1.33 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 0.00 0.00 39 K 8.07 3.87 0.00 1.74 1.97 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.52 7.81 40 M 7.43 4.38 0.00 1.90 1.99 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 2.55 2.80 0.00 41 K 8.40 3.72 0.00 1.98 1.91 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81 42 N 8.26 4.78 0.00 3.05 3.14 0.00 0.00 6.45 7.13 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 43 V 8.60 4.67 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 1.30 0.00 0.00 0.96 0.00 0.00 44 G 9.12 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 0.00 0.00 0.00 45 T 7.83 5.35 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 1.25 0.00 0.00 46 C 9.04 5.13 0.00 1.90 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 47 N 8.75 5.83 0.00 2.63 2.80 0.00 0.00 6.42 7.44 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 48 F 7.40 4.97 0.00 3.42 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 49 Y 8.86 5.33 0.00 3.08 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 50 L 9.50 5.29 0.00 1.88 1.73 1.20 0.32 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 51 G 9.37 4.66 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 52 Y 8.41 5.22 0.00 2.96 3.09 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 53 D 8.71 4.60 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.64 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 55 S 8.32 4.44 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.74 0.00 1.78 1.68 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.95 5.33 0.00 1.56 1.41 0.11 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.96 4.88 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 59 V 8.39 3.98 1.82 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 0.13 0.00 0.00 0.71 0.00 0.00 60 V 8.76 4.00 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 0.72 0.00 0.00 0.93 0.00 0.00 61 S 7.24 4.56 0.00 3.95 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 62 V 8.24 4.70 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 0.86 0.00 0.00 0.71 0.00 0.00 63 D 8.96 4.97 0.00 2.45 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 0.00 0.00 0.00 0.00 64 A 7.95 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.48 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 0.00 0.00 0.00 66 P 0.00 4.41 0.00 2.14 2.14 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 67 I 7.51 3.80 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.84 0.00 0.00 68 V 7.30 3.98 1.93 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 0.91 0.00 0.00 0.64 0.00 0.00 69 K 8.63 4.27 0.00 1.88 1.77 0.00 2.01 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.47 7.81 70 N 8.80 4.10 0.00 2.94 2.82 0.00 0.00 6.92 8.54 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 71 A 7.86 4.11 1.21 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 0.00 0.00 72 A 8.04 4.01 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 73 V 7.88 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 0.83 0.00 0.00 0.94 0.00 0.00 74 N 8.65 4.78 0.00 3.16 2.90 0.00 0.00 5.98 7.67 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 75 F 8.45 5.49 0.00 3.06 3.04 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 0.00 0.00 0.00 0.00 76 S 8.53 4.80 0.00 3.55 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 77 S 8.16 4.69 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 78 S 8.36 4.63 0.00 3.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.39 5.25 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 80 S 9.74 4.34 0.00 3.80 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 N 10.09 4.26 0.00 2.79 2.72 0.00 0.00 7.40 7.98 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 82 G 7.87 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 0.00 0.00 0.00 83 T 7.97 5.14 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 1.34 0.00 0.00 84 I 9.28 4.90 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.41 0.00 0.00 85 S 8.95 4.95 0.00 3.65 3.78 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 86 F 8.19 4.76 0.00 1.72 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 87 L 8.68 5.12 0.00 1.54 1.30 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.42 5.53 0.00 3.68 3.26 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 89 L 7.90 4.39 0.00 1.57 1.21 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.49 4.33 0.00 2.99 2.59 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 0.00 0.00 0.00 0.00 91 N 9.11 4.42 0.00 2.87 2.84 0.00 0.00 7.04 6.83 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 92 T 8.02 4.09 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 1.28 0.00 0.00 93 I 8.16 3.82 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.92 0.00 0.00 94 T 7.74 4.58 4.27 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 1.23 0.00 0.00 95 D 8.06 4.85 0.00 2.73 2.77 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 0.00 0.00 0.00 96 E 9.00 4.87 0.00 2.15 2.00 0.00 0.00 0.00 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 2.29 0.00 97 L 7.98 4.45 0.00 1.73 1.72 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.77 4.10 2.07 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.22 1.01 0.00 0.00 99 T 8.85 4.84 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 1.30 0.00 0.00 100 A 7.74 4.80 1.25 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 0.00 0.00 0.00 101 D 8.33 4.72 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.66 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.86 4.21 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 0.96 0.00 0.00 0.92 0.00 0.00 104 F 9.40 4.08 0.00 1.67 2.77 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 0.00 0.00 0.00 105 A 7.75 4.87 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 0.00 106 N 9.14 5.22 0.00 2.50 2.65 0.00 0.00 7.09 6.96 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 0.00 107 I 8.69 4.55 1.59 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 -0.24 0.00 0.00 108 K 8.55 4.89 0.00 1.57 1.65 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.31 7.81 109 F 8.90 5.26 0.00 2.92 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 0.00 110 K 9.07 4.89 0.00 1.85 1.70 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.53 7.81 111 L 8.97 4.95 0.00 1.71 1.56 0.99 0.84 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 0.00 112 K 8.57 4.55 0.00 1.73 1.79 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 113 S 8.47 4.44 0.00 3.89 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 0.00 114 V 8.05 4.59 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 0.82 0.00 0.00 0.98 0.00 0.00 115 T 8.52 4.08 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 1.21 0.00 0.00 116 A 7.58 4.43 1.23 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 0.00 0.00 117 K 8.62 3.95 0.00 1.84 1.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.50 7.81 118 T 9.02 4.63 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 1.21 0.00 0.00 119 T 8.66 4.81 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 1.21 0.00 0.00 120 T 8.95 4.63 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 1.17 0.00 0.00 121 P 0.00 4.96 0.00 2.15 2.05 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 122 V 8.65 4.67 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 1.27 0.00 0.00 0.82 0.00 0.00 123 T 8.61 5.30 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 1.28 0.00 0.00 124 F 9.26 4.77 0.00 3.05 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 K 9.16 4.76 0.00 1.95 1.85 0.00 1.93 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.53 7.81 126 D 8.61 4.53 0.00 2.71 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 0.00 127 G 10.04 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 0.00 0.00 0.00 128 G 10.63 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 0.00 0.00 0.00 129 A 8.60 4.88 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 0.00 130 F 9.10 5.18 0.00 2.78 2.85 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 0.00 131 G 9.29 4.58 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 0.00 132 D 8.38 5.85 0.00 3.22 2.88 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 0.00 133 G 8.71 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.46 4.42 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 1.23 0.00 0.00 135 M 8.33 3.35 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 136 S 7.51 4.76 0.00 4.01 3.77 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 0.00 0.00 0.00 137 K 8.55 4.25 0.00 1.74 1.75 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 138 I 8.55 4.11 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 1.22 0.71 0.82 0.00 0.00 139 A 8.63 4.09 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 0.00 140 S 7.86 4.88 0.00 3.82 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 0.00 141 V 8.47 4.40 1.70 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 -0.18 0.00 0.00 0.47 0.00 0.00 142 T 8.71 4.13 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 1.09 0.00 0.00 143 K 8.27 4.45 0.00 0.97 0.74 0.00 1.36 0.00 0.00 1.09 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.40 1.02 7.81 144 T 8.61 4.66 4.27 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 1.24 0.00 0.00 145 N 9.07 5.08 0.00 2.70 2.85 0.00 0.00 6.82 7.65 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 0.00 146 G 8.67 4.70 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 0.00 147 S 8.11 5.10 0.00 3.93 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 0.00 148 V 8.42 4.82 1.93 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 0.86 0.00 0.00 0.75 0.00 0.00 149 T 8.77 4.91 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 1.21 0.00 0.00 150 I 8.99 4.82 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.77 0.96 0.00 0.00 151 D 8.94 5.10 0.00 2.68 2.49 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 0.00 152 P 0.00 4.44 0.00 2.22 2.02 0.00 3.89 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 1.98 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.