NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4679 8.1927 116.7988 58.8547 64.1873 173.1998 3 E 4.5901 8.5986 122.1809 56.3969 29.6631 177.2692 4 F 4.1709 8.7888 122.1615 60.5341 40.6858 175.0587 5 I 3.3370 6.9531 118.2564 58.5157 39.3451 173.8939 *7 N 4.5463 8.2218 123.1575 52.9323 39.5673 172.8606 8 N 4.2398 8.7082 117.2277 55.1953 39.4745 175.8944 9 L 4.5153 8.9049 124.3112 54.4430 42.0662 177.8108 10 E 3.8327 8.0947 122.2037 59.8078 29.3422 178.8478 11 Q 3.9468 7.9599 118.6015 59.5259 29.2377 178.1399 12 T 3.9139 7.7832 116.1245 66.3606 68.6943 176.3765 13 A 3.7444 8.3347 123.1313 55.0332 18.3566 179.4811 14 R 3.8282 7.8865 117.0010 59.7284 30.1296 178.7347 15 R 3.9886 7.9491 117.5327 59.3633 30.2947 178.8847 16 W 4.2501 8.5843 118.4870 59.9293 28.9671 178.5968 17 L 4.1135 8.0329 118.2379 57.8617 40.9795 179.2654 18 E 4.4865 8.2106 119.6524 59.0481 29.3422 179.0506 19 E 3.6195 8.6590 117.6501 58.2112 29.5623 177.4162 20 R 4.4948 7.0725 115.5752 56.0428 30.5622 175.8264 21 G 3.6502 9.0271 105.9681 46.5960 0.0000 174.5070 22 V 4.2011 8.0294 119.2575 60.2261 34.2869 174.7797 23 T 4.8102 8.0726 117.2578 60.0476 72.3881 175.6495 24 V 3.6066 8.0901 120.4142 65.8481 31.4458 177.5922 25 E 3.8844 8.1097 118.7245 59.2993 29.3421 178.7620 26 K 3.9320 8.1989 117.4160 59.6341 32.5216 179.1301 27 I 3.8593 7.7469 119.4197 64.1030 36.9210 178.1716 28 A 4.0219 8.4495 122.0672 55.4564 18.1464 179.2790 29 E 3.9789 8.4474 117.0808 59.9790 29.3838 179.8386 30 L 4.0668 7.8939 118.4436 57.6196 41.7254 179.6648 31 V 3.7011 8.1029 118.7294 65.8518 31.3316 177.5715 32 Y 4.1239 7.9859 118.9848 61.0299 38.6506 176.9496 33 Y 3.6542 8.2713 119.1267 60.4578 38.8073 177.4802 34 L 4.6015 7.7395 117.9397 55.5845 42.6452 177.7158 35 Q 4.6456 7.8403 116.4445 56.0774 30.7542 177.3514 36 S 3.7527 8.3742 115.3719 61.6373 61.8659 176.6252 37 K 3.9463 7.8550 118.8230 58.5206 31.9081 177.1655 38 Y 4.3508 8.4087 114.9084 57.8802 38.9022 175.1801 39 H 4.8831 7.5860 115.8221 53.0165 31.9421 170.5300 40 P 3.6324 0.0000 0.0000 66.2716 31.3461 176.3823 41 D 4.7681 8.3772 123.5423 53.7858 41.6372 176.6308 42 L 4.2418 7.8561 121.4444 55.6172 43.7179 175.3382 43 T 4.4991 8.0246 119.3530 61.6024 67.9638 176.3088 *45 E 4.2272 8.8574 117.6076 56.0467 31.1387 177.1546 46 E 3.9963 7.7213 116.8305 59.6630 29.2993 179.3784 47 C 4.1587 7.8386 116.2176 63.0561 28.3026 176.1452 48 I 3.6858 7.7632 120.8465 64.3557 36.6458 177.6565 49 E 3.8769 8.3119 120.1460 59.3722 29.4273 178.3637 50 N 4.1687 7.9410 116.2031 56.5554 38.7567 177.5020 51 V 3.5467 8.0551 119.5923 66.1991 31.3340 177.8562 52 N 4.3801 8.3263 115.6076 56.1618 38.7714 177.3250 53 R 4.0932 8.4319 119.8920 59.5321 30.1847 178.8070 54 V 3.7957 7.9595 117.9927 66.2322 31.3312 177.8542 55 I 3.8623 7.8802 120.0789 63.8986 37.2252 177.7269 56 S 4.4044 7.6307 113.1904 58.7185 63.8688 174.6475 57 K 4.1912 8.0910 124.2551 55.9776 32.8020 178.0710 58 R 3.9940 8.7186 122.7140 59.3630 29.8699 178.7789 59 E 3.8686 8.2018 117.8893 59.6344 29.4452 179.6150 60 V 3.5250 7.6718 117.0763 66.1009 31.7241 177.4443 61 Q 3.8789 7.9722 117.8278 59.3597 28.7416 179.1696 62 N 4.1201 8.4521 117.1452 56.4640 38.5315 177.2655 63 A 3.9711 7.6109 121.7208 55.1494 18.4824 179.6200 64 I 3.6643 7.7732 118.2773 64.6863 37.2487 178.6621 65 L 3.7234 7.8269 119.6735 57.9253 41.3038 179.9026 66 T 3.9361 7.8112 115.2697 66.4776 68.5691 177.0051 67 G 3.3616 8.2836 107.9216 47.8415 0.0000 175.6680 68 I 3.7835 7.9912 122.7748 63.9758 37.1433 177.9469 69 Q 3.9651 8.2654 120.4375 59.5636 28.7954 179.0508 70 L 3.8962 7.6787 119.4549 57.7921 41.5493 179.0307 71 D 4.5108 7.9295 118.5316 57.5066 40.7961 179.1776 72 K 3.9208 8.3032 118.8549 59.6002 32.1268 179.2945 73 L 3.9539 8.1028 118.9742 57.7580 41.4391 179.6533 74 A 4.1179 8.5107 121.1743 55.2285 18.2572 179.5683 75 E 4.0122 8.2331 114.1574 58.7041 29.7262 177.8238 76 D 4.7297 7.9452 118.4104 52.8327 41.5837 176.0907 77 G 3.9967 8.0730 107.9487 47.0196 0.0000 174.5407 78 R 4.3856 8.4995 115.8156 55.5713 31.0301 176.9497 79 L 4.4213 7.8944 118.9651 53.8510 43.2564 175.2865 80 D 4.8836 8.1447 118.6330 52.7438 42.3180 176.6132 81 E 4.3761 8.5182 122.9631 55.9091 30.1935 175.8457 82 P 4.5349 0.0000 0.0000 63.3476 31.9174 177.6618 83 L 3.7938 7.8582 121.2017 58.5458 41.8910 177.9141 84 Q 3.9141 8.1381 119.5529 59.6446 28.9139 179.1909 85 S 4.1101 8.1045 114.3634 61.3262 63.1868 176.0823 86 I 3.5556 7.8269 123.7147 64.3133 36.8796 178.4752 87 I 3.5372 7.9605 120.6227 64.2448 36.7607 178.3986 88 R 3.9344 7.7957 118.3428 59.3679 30.0109 177.9326 89 R 4.1968 8.3520 114.8000 55.2657 30.3616 175.5805 90 D 4.2533 8.2128 118.1796 54.2065 40.3937 172.9905 91 E 4.1186 8.1265 117.3659 56.5374 29.8285 178.7716 92 G 3.7457 8.9078 113.8055 48.6111 0.0000 173.4587 93 L 4.2025 7.9052 116.6294 55.1754 42.0063 175.6457 94 Y 4.5061 8.1874 121.7750 56.3099 39.0480 174.9767 95 G 3.9613 7.9955 115.6550 45.2534 0.0000 174.6369 96 V 3.4313 6.4373 122.0362 65.2921 31.3332 177.5939 97 D 4.3245 7.5071 118.7807 55.9835 39.3062 178.0024 98 E 4.0266 7.8511 120.3068 59.0529 29.8093 178.4094 99 I 3.6642 7.7273 119.8896 64.6551 37.2791 178.3191 100 L 4.0153 7.9616 119.1890 57.6387 41.4653 179.5132 101 A 3.8531 7.9438 120.5953 55.3055 18.4187 179.6762 102 L 3.7004 7.9325 117.4818 57.6695 41.3368 179.7720 103 S 4.0460 7.4773 112.0593 61.5373 62.7342 176.0020 104 I 3.7976 7.3573 121.8204 64.2135 36.7863 178.3827 105 V 3.4218 7.5743 118.9935 66.2823 31.0979 177.8246 106 N 4.4375 7.7800 114.0126 55.8666 38.3859 177.0387 107 V 3.5872 7.4438 118.6219 64.7862 32.2788 175.3575 108 Y 4.5369 7.9608 115.5528 57.0531 38.4138 175.5459 109 G 3.8948 8.0543 108.6780 45.4888 0.0000 173.1244 110 S 5.2163 8.4415 111.3719 59.2561 63.0237 175.7849 111 I 3.9684 7.9627 123.7879 64.1881 36.7515 177.9364 112 G 3.7612 8.0445 106.1904 47.1642 0.0000 175.4224 113 F 4.2305 7.8484 119.7850 61.2574 38.9049 177.8770 114 T 4.0537 7.7092 115.6038 66.6296 68.1770 176.5981 115 N 4.6286 8.1875 117.9233 55.8856 38.5437 176.7350 116 Y 4.2385 8.3635 121.0847 60.6559 39.2531 178.1525 117 G 3.6234 7.9559 106.4985 48.4301 0.0000 174.2428 118 Y 4.2728 8.1647 122.5038 61.0094 38.6877 178.4555 119 I 3.4705 8.4946 114.1400 63.4673 37.4257 177.7191 120 D 4.0712 7.3933 119.6601 57.1642 41.0540 177.7868 121 K 4.1057 7.6475 117.2544 59.0928 32.4386 178.8888 122 Q 3.8808 7.7623 117.6388 56.4897 29.8697 176.6269 123 K 3.5895 7.5455 117.4449 56.8134 30.0876 171.8407 124 P 4.4649 0.0000 0.0000 61.2596 34.2794 177.7769 125 G 3.8089 8.3594 108.3092 46.3143 0.0000 176.2283 126 I 3.8823 8.3504 113.3335 63.6652 37.6542 178.2688 127 L 4.0720 7.8507 121.2582 57.5739 40.9674 179.5033 128 Q 3.9678 8.1760 118.1254 58.9299 28.8809 177.5039 129 Y 4.1781 7.8868 119.9822 60.8768 38.7698 177.9170 130 L 4.1852 8.6010 118.8115 57.7262 41.8047 177.7284 131 N 4.5742 8.1311 114.3852 53.8076 39.1342 175.0325 132 D 4.3109 7.4011 117.0658 58.2943 41.2157 177.7989 133 K 4.2137 9.5496 114.9545 56.4164 29.1551 177.4393 134 S 4.6094 7.7079 112.5379 58.0928 62.9687 174.7626 135 T 4.1985 8.0819 109.7976 61.7854 69.4632 174.7906 136 G 3.8904 8.1742 109.6204 45.8822 0.0000 173.1257 137 K 4.6910 7.7671 118.5569 54.2791 34.2042 175.3505 138 C 4.5202 9.1329 124.6445 58.7634 32.0177 173.0615 139 N 5.4413 8.4721 126.3161 52.5845 39.6684 176.8305 140 T 4.1216 8.4361 118.1168 66.0387 68.8607 175.1359 141 F 4.3707 9.3260 119.3346 59.9663 39.4623 177.9086 142 L 4.0682 8.5682 119.9615 58.4269 41.6050 177.9254 143 D 4.3719 8.2679 117.8692 57.9643 41.0825 178.1317 144 D 4.5969 8.0777 118.2564 57.5308 40.9349 178.7656 145 I 3.7619 8.0198 120.3038 64.5407 37.1120 178.6778 146 V 3.7414 8.2747 119.3091 65.7680 31.3900 178.2996 147 G 3.7021 8.0903 105.2130 47.7916 0.0000 175.5843 148 A 4.1046 8.7319 123.5681 55.0120 18.3917 179.7330 149 I 3.6390 8.0793 118.4310 64.3268 37.0433 178.5301 150 A 3.9248 8.2536 121.3441 55.1616 18.2604 179.2779 151 A 3.9513 8.0141 119.0261 55.4257 18.4087 179.7505 152 A 3.8944 8.2020 118.7946 55.3640 18.5457 179.7304 153 A 3.6919 7.8632 119.3124 55.2144 18.3069 179.8385 154 S 4.0227 8.2835 111.9567 61.4912 62.4788 176.3909 155 S 4.0074 8.1094 116.0600 61.1619 62.1392 176.0236 156 R 3.8290 8.2182 121.7865 59.3792 29.5154 178.1579 157 L 3.8714 8.0242 118.8843 58.4436 41.9966 178.3239 158 A 4.0412 7.5595 119.9720 54.6984 18.2093 178.6274 159 H 4.2491 7.7984 112.8005 58.2063 30.0589 175.6619 160 R 4.6089 7.6686 120.4638 53.6777 27.5421 174.1460 161 A 4.4939 7.5031 122.7821 52.7199 26.0772 176.7099 162 A 4.2136 7.6272 122.7255 52.5403 18.5238 177.0496 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 S 8.19 4.47 0.00 4.00 3.96 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 3 E 8.60 4.59 0.00 2.00 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 2.25 2.42 0.00 4 F 8.79 4.17 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 6.95 3.34 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.02 0.00 0.00 *7 N 8.22 4.55 0.00 2.77 2.82 0.00 0.00 6.98 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.71 4.24 0.00 2.65 2.71 0.00 0.00 6.74 7.78 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 9 L 8.90 4.52 0.00 1.73 1.45 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.09 3.83 0.00 2.12 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 2.37 2.39 0.00 11 Q 7.96 3.95 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 12 T 7.78 3.91 4.16 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 0.96 0.00 0.00 13 A 8.33 3.74 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 14 R 7.89 3.83 0.00 2.13 2.11 0.00 3.25 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 15 R 7.95 3.99 0.00 2.26 2.09 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 16 W 8.58 4.25 0.00 3.45 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 17 L 8.03 4.11 0.00 2.03 1.91 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.21 4.49 0.00 2.20 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 2.33 2.37 0.00 19 E 8.66 3.62 0.00 1.93 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 0.00 2.23 2.31 0.00 20 R 7.07 4.49 0.00 2.16 1.89 0.00 3.50 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 21 G 9.03 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.03 4.20 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 0.89 0.00 0.00 23 T 8.07 4.81 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 1.19 0.00 0.00 24 V 8.09 3.61 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 25 E 8.11 3.88 0.00 2.03 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 2.36 2.34 0.00 26 K 8.20 3.93 0.00 1.81 1.83 0.00 1.75 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 1.45 1.58 7.81 27 I 7.75 3.86 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.92 0.00 0.00 28 A 8.45 4.02 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 29 E 8.45 3.98 0.00 2.26 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 2.36 2.61 0.00 30 L 7.89 4.07 0.00 1.89 1.72 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.10 3.70 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 1.03 0.00 0.00 1.04 0.00 0.00 32 Y 7.99 4.12 0.00 3.13 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 33 Y 8.27 3.65 0.00 3.16 3.25 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 34 L 7.74 4.60 0.00 1.84 1.80 1.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.84 4.65 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 36 S 8.37 3.75 0.00 2.72 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 37 K 7.85 3.95 0.00 1.19 1.46 0.00 1.55 0.00 0.00 1.43 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.33 7.81 38 Y 8.41 4.35 0.00 2.68 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 39 H 7.59 4.88 0.00 3.20 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 3.63 0.00 2.06 1.94 0.00 3.73 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 2.06 2.13 0.00 41 D 8.38 4.77 0.00 2.66 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 42 L 7.86 4.24 0.00 1.74 1.75 0.98 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 43 T 8.02 4.50 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 1.28 0.00 0.00 *45 E 8.86 4.23 0.00 2.03 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 2.27 2.33 0.00 46 E 7.72 4.00 0.00 2.30 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 2.35 2.53 0.00 47 C 7.84 4.16 0.00 2.99 3.16 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 48 I 7.76 3.69 1.99 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 1.52 0.56 0.90 0.00 0.00 49 E 8.31 3.88 0.00 2.23 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 2.30 2.50 0.00 50 N 7.94 4.17 0.00 2.82 2.85 0.00 0.00 6.78 8.06 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 51 V 8.06 3.55 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 1.03 0.00 0.00 0.96 0.00 0.00 52 N 8.33 4.38 0.00 2.95 2.86 0.00 0.00 7.09 7.43 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 53 R 8.43 4.09 0.00 1.88 2.05 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 54 V 7.96 3.80 2.23 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 1.11 0.00 0.00 0.82 0.00 0.00 55 I 7.88 3.86 1.95 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 1.58 0.79 0.90 0.00 0.00 56 S 7.63 4.40 0.00 4.04 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 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0.00 0.00 0.00 2.31 2.23 0.00 82 P 0.00 4.53 0.00 2.25 2.27 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 83 L 7.86 3.79 0.00 1.82 1.78 0.96 0.63 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 84 Q 8.14 3.91 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 85 S 8.10 4.11 0.00 4.06 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 86 I 7.83 3.56 1.75 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.46 0.00 0.00 87 I 7.96 3.54 1.84 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 1.11 0.00 0.00 88 R 7.80 3.93 0.00 1.89 2.10 0.00 3.31 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 89 R 8.35 4.20 0.00 1.85 1.93 0.00 3.52 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 90 D 8.21 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.44 3.59 2.23 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 0.40 0.00 0.00 0.86 0.00 0.00 108 Y 7.96 4.54 0.00 2.95 2.93 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 0.00 109 G 8.05 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 0.00 110 S 8.44 5.22 0.00 4.29 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 0.00 111 I 7.96 3.97 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 0.87 0.00 0.00 112 G 8.04 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 0.00 113 F 7.85 4.23 0.00 3.29 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 0.00 114 T 7.71 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 1.22 0.00 0.00 115 N 8.19 4.63 0.00 2.88 2.96 0.00 0.00 6.77 7.48 0.00 0.00 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 Y 8.36 4.24 0.00 2.91 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.96 3.62 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 0.00 0.00 0.00 118 Y 8.16 4.27 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.49 3.47 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.87 0.00 0.00 120 D 7.39 4.07 0.00 2.29 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 0.00 121 K 7.65 4.11 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.46 7.81 122 Q 7.76 3.88 0.00 1.61 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 123 K 7.55 3.59 0.00 1.75 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.38 7.81 124 P 0.00 4.46 0.00 1.70 1.48 0.00 3.42 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.39 0.00 125 G 8.36 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 0.00 126 I 8.35 3.88 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.76 0.00 0.00 127 L 7.85 4.07 0.00 1.93 1.71 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.18 3.97 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 129 Y 7.89 4.18 0.00 3.02 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 0.00 130 L 8.60 4.19 0.00 1.75 1.89 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.13 4.57 0.00 2.93 2.83 0.00 0.00 7.14 8.47 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 0.00 132 D 7.40 4.31 0.00 2.67 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 0.00 133 K 9.55 4.21 0.00 1.93 2.07 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.40 7.81 134 S 7.71 4.61 0.00 3.91 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 0.00 135 T 8.08 4.20 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 0.99 0.00 0.00 136 G 8.17 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 0.00 137 K 7.77 4.69 0.00 1.79 1.79 0.00 1.77 0.00 0.00 2.06 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.55 7.81 138 C 9.13 4.52 0.00 2.95 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 0.00 139 N 8.47 5.44 0.00 2.97 2.81 0.00 0.00 7.10 7.05 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 0.00 140 T 8.44 4.12 4.52 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 1.01 0.00 0.00 141 F 9.33 4.37 0.00 3.53 3.19 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 0.00 142 L 8.57 4.07 0.00 1.96 1.77 0.99 1.05 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 0.00 143 D 8.27 4.37 0.00 3.17 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 0.00 144 D 8.08 4.60 0.00 2.84 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 0.00 145 I 8.02 3.76 2.17 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 1.48 0.94 0.96 0.00 0.00 146 V 8.27 3.74 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 1.02 0.00 0.00 1.00 0.00 0.00 147 G 8.09 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 0.00 148 A 8.73 4.10 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 0.00 149 I 8.08 3.64 2.02 0.00 0.00 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 1.47 0.89 0.92 0.00 0.00 150 A 8.25 3.92 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 0.00 151 A 8.01 3.95 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 0.00 152 A 8.20 3.89 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 0.00 0.00 153 A 7.86 3.69 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 0.00 154 S 8.28 4.02 0.00 4.01 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 0.00 155 S 8.11 4.01 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.22 3.83 0.00 0.67 1.66 0.00 2.58 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 157 L 8.02 3.87 0.00 1.74 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.56 4.04 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 0.00 159 H 7.80 4.25 0.00 3.36 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.67 4.61 0.00 1.93 1.88 0.00 3.22 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 161 A 7.50 4.49 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.63 4.21 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 * Residues marked with a * may have inaccurate shift predictions.