NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3049 7.8785 121.0476 61.0482 39.7137 174.6015 17 A 4.6623 9.0158 132.1846 49.0371 21.8319 174.4183 18 G 3.5046 8.8599 108.7937 47.3358 0.0000 173.6112 19 G 4.3138 9.0131 110.0577 46.6096 0.0000 172.8965 *29 E 4.6016 7.9254 117.8437 55.8321 31.4377 174.9673 30 A 4.8377 8.6491 123.2810 52.1839 19.4227 177.0982 31 I 4.9057 8.7376 114.6523 59.4036 40.7255 174.5232 32 T 5.3406 9.0000 114.2563 60.5924 73.1460 172.7199 33 T 4.1671 8.4436 116.4025 60.5646 70.1600 173.3308 34 G 3.6816 8.7388 119.2629 47.0222 0.0000 174.8782 *39 G 3.8828 8.6475 112.9263 45.0488 0.0000 171.8444 40 S 4.7175 8.0050 117.0225 57.2812 64.8152 173.2639 41 R 5.2194 8.4705 122.5791 55.1605 33.1625 174.7304 42 C 5.2502 9.2557 122.1471 55.6347 44.7924 172.6391 43 S 5.3190 8.8388 114.6332 56.9261 65.9269 174.3272 44 L 3.6484 8.9272 125.2597 55.4025 42.5756 176.5999 45 G 4.1467 9.0084 114.0483 48.1433 0.0000 173.1179 46 F 5.0512 7.5603 116.0566 55.0751 44.4964 173.1090 47 N 5.1726 8.9576 119.8231 53.2724 40.0664 174.5913 48 V 4.9713 9.1576 115.5670 59.9940 37.1668 173.8054 48A S 5.1367 9.3999 115.9485 56.6384 65.5914 173.0428 48B V 4.3744 8.6061 125.8688 60.8958 33.7594 175.1491 48C N 4.2006 9.7723 128.1345 54.3877 35.9682 176.0051 48D G 3.9091 7.8751 103.6646 45.4798 0.0000 173.9608 49 V 4.0331 7.7881 120.9455 61.0008 32.6545 174.6828 50 A 4.6246 8.4982 129.6246 52.6846 19.4678 175.8298 51 H 5.4772 9.5702 118.7333 54.1707 34.4638 172.0586 52 A 5.1566 9.1052 120.5788 50.3850 22.0085 175.4710 53 L 4.9356 9.0160 122.6341 54.5473 44.0772 176.1487 54 T 4.6833 8.3171 114.8430 61.3430 71.3460 172.3631 55 A 4.4525 8.4506 123.9197 51.6946 18.0595 179.1340 56 G 3.8049 8.9587 109.5698 48.0876 0.0000 175.6396 57 H 3.7215 8.0516 115.3579 57.5931 28.2854 176.8976 58 C 4.4919 6.9183 119.5126 60.1558 38.9321 175.8117 59 T 3.8430 7.6495 110.7549 64.6979 68.0200 175.7067 58 N 4.6819 6.9983 119.6126 55.0558 45.7800 176.4117 59 I 3.6630 7.4995 117.0549 63.9979 37.0200 177.4067 64 S 4.7181 7.1593 110.1850 57.3189 65.0592 173.4893 65 A 4.4379 8.5096 125.2176 52.7529 19.2064 176.7467 65A S 4.9263 7.8341 111.0027 56.2043 63.6739 173.2252 66 W 4.8536 9.1576 127.1228 53.9539 32.0788 176.5903 *84 S 4.4445 8.4941 114.2704 58.0891 64.2422 174.8087 85 I 4.2278 8.2595 112.1446 59.9301 38.7176 175.8712 86 G 4.3731 6.5470 107.2849 45.9119 0.0000 170.4041 87 T 5.1407 7.6422 116.0572 61.5080 71.1736 174.3013 88 R 4.4722 9.0879 127.6665 56.8431 30.4830 176.1673 89 T 4.5834 8.4324 114.9918 61.0172 70.0131 173.8844 90 G 4.0631 7.6717 106.6770 46.3390 0.0000 172.4985 91 T 4.8785 8.1477 115.5398 60.7403 71.5717 172.5627 *93 S 4.5669 8.5744 121.2029 58.8995 63.4791 172.0176 94 F 5.6015 8.6361 125.9841 57.5169 42.4817 172.1956 *99A P 3.1494 0.0000 0.0000 63.8814 31.2008 173.2076 100 N 4.5245 7.8384 116.0879 53.1252 39.8472 176.7314 101 N 4.9730 7.3244 112.9713 52.1479 41.5340 174.5061 102 D 5.3145 9.0639 117.0064 52.8761 41.1674 173.1918 103 Y 5.2916 8.1109 119.6999 55.9665 42.7458 175.6270 104 G 4.9872 8.9483 106.1385 45.8407 0.0000 171.7351 105 I 5.2027 8.7173 119.8410 59.1234 42.1068 173.8429 106 I 4.8626 8.3755 127.7583 59.4216 41.0190 174.4019 107 R 4.3079 9.1283 127.9237 55.5578 31.3225 175.2743 108 H 4.7206 8.4431 124.0825 56.0800 28.7411 176.2842 109 S 4.1402 9.3361 119.7570 60.5745 63.0664 172.9770 110 N 5.0907 7.8518 118.4221 50.4672 39.6560 172.4301 111 P 4.1199 0.0000 0.0000 65.2320 31.5015 178.6055 112 A 4.0083 7.8660 120.2832 54.1643 18.3108 177.8934 113 A 4.1758 7.8859 117.3904 52.9531 18.9959 178.5651 114 A 4.0615 7.2089 119.5706 51.0494 16.5693 174.7700 115 D 4.4603 8.1786 118.0993 53.2120 41.7858 177.4677 116 G 4.0848 8.2959 118.5960 45.6720 0.0000 171.4765 117 R 5.2028 7.7941 117.3144 54.5768 36.0606 175.0317 118 V 4.6729 8.7105 119.7994 61.2489 34.0800 173.8537 119 Y 4.1591 8.8280 130.0126 57.2221 37.9813 175.1111 120 L 4.2513 7.9574 125.5837 54.1491 42.1894 176.5333 120A Y 2.8541 5.3700 115.5642 58.5580 35.0317 170.5275 120B N 4.7895 6.9158 111.0906 52.8896 38.1512 175.2587 120C G 4.0307 8.1239 105.5322 46.4132 0.0000 173.6229 120D S 5.0958 7.8200 114.5610 56.7670 67.1221 172.4491 121 Y 5.1540 8.5551 117.1253 56.4848 42.0843 174.5873 122 Q 4.6096 9.2896 123.5820 54.5262 31.1575 174.2517 123 D 4.8473 8.7507 126.2898 54.2707 42.7465 174.4753 124 I 4.8857 8.2603 126.5146 60.0436 38.5001 175.6063 125 T 4.5650 9.1617 115.4063 62.0987 71.2144 173.1586 126 T 4.7407 7.7316 114.6623 60.5717 71.7014 171.7520 127 A 5.0459 8.4995 124.1595 50.3098 21.7264 175.8276 128 G 4.1637 9.1238 106.6099 45.5036 0.0000 171.2706 129 N 5.0633 8.6385 116.1682 51.1139 40.6171 175.1623 130 A 4.4726 8.3776 125.0640 51.8900 19.6210 176.6827 131 F 5.0282 8.1138 113.6437 54.4481 41.0615 174.7493 132 V 3.8101 8.4876 122.8000 64.6204 31.6390 176.3551 133 G 4.0068 9.0391 116.5865 44.8538 0.0000 173.3023 134 Q 3.8458 7.5579 122.0341 55.5607 30.1299 174.9790 135 A 4.5791 8.3757 128.3036 52.0874 19.1422 176.9008 136 V 4.4596 8.7470 115.3594 59.7407 36.6610 174.5850 137 Q 4.8758 8.2242 119.4339 54.1378 33.1025 174.7217 138 R 5.1353 9.0251 121.2168 54.7486 33.8999 173.7355 139 S 5.3723 9.0559 119.9981 56.8019 65.4979 172.8177 140 G 4.3317 8.7416 112.2337 45.4458 0.0000 173.5662 141 S 4.6087 9.0988 114.9980 59.1884 63.9130 175.5285 142 T 4.1944 8.7735 119.2696 65.7442 68.5692 176.4227 143 T 4.3294 7.9170 108.6781 61.9347 70.7951 174.1694 *156 G 3.2965 7.2649 108.8957 46.0724 0.0000 173.3828 157 L 5.3086 8.4918 127.3312 53.3942 43.6428 175.0870 158 R 4.9041 8.9405 123.7379 54.6089 34.9171 174.0280 159 S 4.9289 8.4822 114.9329 56.5172 66.4256 174.2814 160 G 4.0178 7.9611 107.0022 46.1484 0.0000 172.1064 161 S 4.9565 8.2541 115.4215 56.5989 67.2649 174.0591 162 V 4.2327 8.3702 121.9863 63.2589 31.8780 176.3112 163 T 4.5288 8.5798 117.2773 61.4979 70.3227 173.9658 164 G 4.1871 7.4250 107.4079 45.8883 0.0000 172.2417 165 L 5.1721 8.3621 119.5812 52.2203 45.8919 175.3933 166 N 4.0169 8.7742 115.3643 54.5522 37.5568 173.9785 167 A 4.4493 8.3255 118.3601 51.7970 20.5110 177.7258 168 T 4.5829 8.3148 117.8709 62.3040 70.2355 174.4906 169 V 3.7452 8.3795 126.1951 60.7571 34.3896 173.5531 170 N 4.6289 8.3503 127.0965 52.1650 39.9148 173.7160 171 Y 4.8847 8.8455 124.8290 57.5097 39.6876 177.3762 172 G 3.9284 8.7369 115.2802 46.3875 0.0000 178.5133 173 S 4.1904 9.0890 119.5041 60.9129 62.6214 175.3694 174 S 4.2767 7.8607 115.4670 59.1854 63.1424 173.2417 175 G 3.6587 8.1215 105.9417 44.1099 0.0000 171.7327 176 I 4.6090 7.8693 117.8820 59.3456 40.0027 175.6084 177 V 4.4855 8.1436 119.0440 59.6263 34.9016 174.3349 178 Y 4.7429 8.1423 120.5505 56.5138 41.3497 175.3407 179 G 3.9453 8.8064 107.1954 47.1401 0.0000 173.6264 180 M 4.7733 8.1382 118.8704 54.0915 34.0678 176.1601 181 I 4.3965 9.1078 123.7496 61.3689 38.7936 174.6585 182 Q 5.1516 9.3909 128.1058 54.6517 31.6776 174.3394 183 T 5.0954 8.8369 115.4903 59.9316 73.4858 173.2070 184 N 4.8149 8.3960 116.4355 52.9784 38.5496 174.4431 *190 V 4.6241 7.9830 117.8878 63.5801 32.4044 174.1127 191 C 4.5702 8.7730 121.0052 55.2649 42.8198 172.1611 192 A 4.7178 7.8374 121.8251 51.6924 21.7196 175.1984 192A Q 4.6129 9.0175 117.6247 53.1396 33.0513 173.3493 192B P 4.3712 0.0000 0.0000 64.5178 31.6861 175.9591 193 G 4.4510 8.8806 109.7394 47.1286 0.0000 174.6228 194 D 4.4878 8.5347 119.1332 56.1227 41.4611 176.8118 195 S 4.3970 7.8660 115.8102 60.1850 63.5379 175.3114 196 G 4.2605 8.8042 112.3362 46.4037 0.0000 173.7913 197 G 4.2990 7.4824 106.4861 45.3891 0.0000 172.9978 198 S 4.4915 8.4421 116.0852 57.9482 64.3247 173.2075 199 L 5.3267 9.1049 126.7891 53.2983 44.2695 175.1509 200 F 5.4664 8.8625 120.0681 55.9487 42.4706 173.3292 201 A 4.4426 8.8682 120.2115 49.8437 20.6799 176.8374 202 G 3.7536 8.7589 114.0461 47.8766 0.0000 173.2498 *207 S 4.9306 8.3804 119.3928 58.0482 65.7685 172.4252 208 T 5.0463 7.9083 118.0887 62.0538 70.4820 173.7444 209 A 4.3659 9.1067 129.5089 51.9491 19.1455 177.5896 210 L 4.6166 9.0976 120.7631 56.0922 45.5277 176.4835 211 G 4.7330 7.9391 103.3124 45.7819 0.0000 171.7580 212 L 5.6078 8.9743 119.5319 52.7434 45.0620 176.9376 213 T 3.6383 9.1074 121.2088 64.5004 68.9361 173.6299 214 S 4.3371 8.3443 120.7608 58.5667 63.9515 174.0662 215 G 4.0468 6.3643 103.5897 48.8563 0.0000 170.9536 216 G 4.2001 7.9221 106.4547 45.9957 0.0000 171.4459 217 S 4.7506 7.9209 113.6936 57.3945 66.4630 175.2103 218 G 4.0365 9.9501 108.4560 45.7524 0.0000 171.1383 219 N 4.8881 7.8950 115.6825 52.5808 40.1987 174.1585 220 C 4.6048 9.6187 116.9741 58.3909 40.2056 175.3881 221 R 4.3165 8.5606 119.5442 57.0925 30.4640 182.0499 222 T 4.2389 8.2117 105.7536 60.9586 70.2373 175.3056 223 G 3.8509 8.9090 109.9723 44.8170 0.0000 171.5956 224 G 4.7248 7.1483 102.4776 46.8183 0.0000 172.2466 225 T 4.9798 7.3771 116.5357 61.8516 71.3520 174.0943 226 T 4.8568 8.5050 114.7050 59.8393 72.7604 172.6084 227 F 5.5155 9.1692 121.4717 56.0676 42.5661 173.9924 228 Y 5.1715 9.3506 119.5359 56.0846 42.2211 174.4660 229 Q 4.6521 9.2007 124.9295 55.0113 30.7741 173.6915 230 P 4.7990 0.0000 0.0000 62.6569 32.0937 177.8304 231 V 3.8808 8.7886 124.4208 64.9587 31.3503 178.7713 232 T 3.7867 7.9367 110.1406 64.6205 68.5092 175.9411 233 E 3.8765 7.9222 120.6557 58.8718 29.3144 178.6364 234 A 2.6531 7.6815 120.3315 54.6851 18.4765 179.4192 235 L 3.9433 8.0397 118.0266 57.9912 41.4270 179.9829 235A S 4.1915 8.1155 113.9169 61.1005 62.8026 176.2043 236 A 3.7820 7.5065 123.7220 54.3366 18.0440 178.1496 237 Y 4.7838 7.0471 111.2814 56.5689 39.1527 175.7531 238 G 3.8236 7.7305 107.4156 46.8228 0.0000 173.4824 239 A 5.1918 8.2832 120.0596 50.0576 22.0912 177.4074 240 T 4.6782 8.6067 108.9871 59.6257 72.1424 174.0823 241 V 4.0164 8.4082 117.3440 61.4285 32.4370 176.2820 242 L 4.2227 8.4874 122.7597 55.0650 41.6444 176.7277 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 16 I 7.88 4.30 1.88 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 1.29 1.28 0.99 0.00 0.00 17 A 9.02 4.66 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 0.00 0.00 18 G 8.86 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.01 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 *29 E 7.93 4.60 0.00 2.09 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 0.00 2.20 2.16 0.00 30 A 8.65 4.84 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 31 I 8.74 4.91 2.05 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.92 0.00 0.00 32 T 9.00 5.34 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 1.27 0.00 0.00 33 T 8.44 4.17 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 0.21 0.00 0.00 34 G 8.74 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 G 8.65 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.01 4.72 0.00 3.74 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 41 R 8.47 5.22 0.00 1.79 1.77 0.00 3.22 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 42 C 9.26 5.25 0.00 2.91 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 43 S 8.84 5.32 0.00 3.84 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 44 L 8.93 3.65 0.00 1.67 1.62 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.01 4.15 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 0.00 0.00 0.00 46 F 7.56 5.05 0.00 2.99 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 47 N 8.96 5.17 0.00 2.81 2.77 0.00 0.00 6.82 7.68 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 48 V 9.16 4.97 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 0.80 0.00 0.00 0.98 0.00 0.00 48A S 9.40 5.14 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48B V 8.61 4.37 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 1.01 0.00 0.00 0.79 0.00 0.00 48C N 9.77 4.20 0.00 2.88 2.86 0.00 0.00 7.22 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 48D G 7.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.79 4.03 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 1.00 0.00 0.00 1.01 0.00 0.00 50 A 8.50 4.62 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 51 H 9.57 5.48 0.00 3.05 3.20 0.00 5.76 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 52 A 9.11 5.16 1.07 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 0.00 0.00 53 L 9.02 4.94 0.00 1.90 1.69 1.08 0.41 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 54 T 8.32 4.68 4.03 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 0.81 0.00 0.00 55 A 8.45 4.45 1.06 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 56 G 8.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.05 3.72 0.00 2.18 1.31 0.00 5.56 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 6.92 4.49 0.00 3.09 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 59 T 7.65 3.84 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 0.84 0.00 0.00 58 N 7.00 4.68 0.00 2.99 2.98 0.00 0.00 6.99 7.42 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 59 I 7.50 3.66 1.91 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 1.52 0.83 0.54 0.00 0.00 64 S 7.16 4.72 0.00 3.59 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.51 4.44 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 65A S 7.83 4.93 0.00 3.80 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 66 W 9.16 4.85 0.00 3.58 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 *84 S 8.49 4.44 0.00 4.05 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 85 I 8.26 4.23 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.96 0.00 0.00 86 G 6.55 4.37 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 0.00 87 T 7.64 5.14 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 1.30 0.00 0.00 88 R 9.09 4.47 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 89 T 8.43 4.58 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 1.28 0.00 0.00 90 G 7.67 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 91 T 8.15 4.88 4.32 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 1.36 0.00 0.00 *93 S 8.57 4.57 0.00 3.90 3.01 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 94 F 8.64 5.60 0.00 2.95 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 *99A P 0.00 3.15 0.00 1.89 0.93 0.00 3.70 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 100 N 7.84 4.52 0.00 3.01 2.88 0.00 0.00 7.56 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 0.00 101 N 7.32 4.97 0.00 2.49 2.32 0.00 0.00 6.25 8.08 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 0.00 102 D 9.06 5.31 0.00 2.86 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 0.00 103 Y 8.11 5.29 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.95 4.99 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 0.00 0.00 0.00 105 I 8.72 5.20 1.41 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.72 0.00 0.00 0.00 106 I 8.38 4.86 1.66 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.15 0.85 0.00 0.00 107 R 9.13 4.31 0.00 1.72 1.73 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 108 H 8.44 4.72 0.00 3.09 3.40 0.00 5.71 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 0.00 109 S 9.34 4.14 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.85 5.09 0.00 2.75 2.68 0.00 0.00 6.98 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 0.00 111 P 0.00 4.12 0.00 2.23 2.28 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 112 A 7.87 4.01 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 0.00 113 A 7.89 4.18 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 0.00 114 A 7.21 4.06 1.18 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 0.00 115 D 8.18 4.46 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.30 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 0.00 0.00 0.00 117 R 7.79 5.20 0.00 1.78 2.02 0.00 3.02 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 118 V 8.71 4.67 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 0.55 0.00 0.00 0.61 0.00 0.00 119 Y 8.83 4.16 0.00 2.63 2.51 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 0.00 120 L 7.96 4.25 0.00 1.73 1.57 0.92 0.89 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 120A Y 5.37 2.85 0.00 3.01 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 120B N 6.92 4.79 0.00 2.69 2.76 0.00 0.00 6.87 6.88 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 120C G 8.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 S 9.09 4.19 0.00 4.01 4.04 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 0.00 174 S 7.86 4.28 0.00 4.22 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 0.00 175 G 8.12 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 0.00 0.00 0.00 176 I 7.87 4.61 1.53 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.29 0.00 0.00 177 V 8.14 4.49 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 0.74 0.00 0.00 0.69 0.00 0.00 178 Y 8.14 4.74 0.00 2.87 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 0.00 179 G 8.81 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 0.00 180 M 8.14 4.77 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.77 0.00 181 I 9.11 4.40 2.09 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 1.19 0.78 0.92 0.00 0.00 182 Q 9.39 5.15 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 183 T 8.84 5.10 4.32 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 1.04 0.00 0.00 184 N 8.40 4.81 0.00 2.86 3.01 0.00 0.00 7.00 7.35 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 *190 V 7.98 4.62 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 1.07 0.00 0.00 0.88 0.00 0.00 191 C 8.77 4.57 0.00 3.13 3.05 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 0.00 192 A 7.84 4.72 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 192A Q 9.02 4.61 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 192B P 0.00 4.37 0.00 2.02 1.98 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 193 G 8.88 4.45 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 0.00 194 D 8.53 4.49 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 7.87 4.40 0.00 3.84 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 0.00 196 G 8.80 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 0.00 0.00 0.00 0.00 197 G 7.48 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 0.00 198 S 8.44 4.49 0.00 3.82 3.34 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 0.00 199 L 9.10 5.33 0.00 1.49 1.57 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 200 F 8.86 5.47 0.00 3.42 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 0.00 201 A 8.87 4.44 1.22 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 0.00 0.00 202 G 8.76 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 S 8.38 4.93 0.00 4.00 4.19 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 0.00 208 T 7.91 5.05 4.38 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 1.20 0.00 0.00 209 A 9.11 4.37 0.18 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 0.00 210 L 9.10 4.62 0.00 1.69 1.64 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 211 G 7.94 4.73 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 0.00 212 L 8.97 5.61 0.00 1.73 1.65 1.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 213 T 9.11 3.64 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 1.03 0.00 0.00 214 S 8.34 4.34 0.00 4.00 4.15 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 0.00 215 G 6.36 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 0.00 0.00 0.00 216 G 7.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 7.92 4.75 0.00 4.00 4.03 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 0.00 218 G 9.95 4.04 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 0.00 0.00 0.00 219 N 7.89 4.89 0.00 3.15 2.91 0.00 0.00 7.45 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 0.00 220 C 9.62 4.60 0.00 3.10 3.13 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 0.00 221 R 8.56 4.32 0.00 1.79 1.81 0.00 3.25 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 222 T 8.21 4.24 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 1.27 0.00 0.00 223 G 8.91 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 0.00 224 G 7.15 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 T 7.38 4.98 4.19 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 0.89 0.00 0.00 226 T 8.51 4.86 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 1.21 0.00 0.00 227 F 9.17 5.52 0.00 3.07 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 0.00 228 Y 9.35 5.17 0.00 2.91 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 0.00 229 Q 9.20 4.65 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 230 P 0.00 4.80 0.00 2.30 2.05 0.00 3.81 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 231 V 8.79 3.88 2.29 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 0.80 0.00 0.00 1.04 0.00 0.00 232 T 7.94 3.79 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 1.24 0.00 0.00 233 E 7.92 3.88 0.00 2.17 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 0.00 2.41 2.38 0.00 234 A 7.68 2.65 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 0.00 0.00 0.00 0.00 0.00 0.00 235 L 8.04 3.94 0.00 1.77 1.88 0.85 1.10 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 235A S 8.12 4.19 0.00 4.01 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 0.00 236 A 7.51 3.78 0.61 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 0.00 0.00 237 Y 7.05 4.78 0.00 2.92 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 0.00 238 G 7.73 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 0.00 239 A 8.28 5.19 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 0.00 240 T 8.61 4.68 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 0.00 241 V 8.41 4.02 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 0.50 0.00 0.00 0.84 0.00 0.00 242 L 8.49 4.22 0.00 1.75 1.56 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.