NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 K 4.3629 8.2993 122.1404 54.4033 33.7706 175.1272 7 Q 4.4105 8.1602 118.0384 55.2227 30.2334 173.6764 8 E 4.2482 8.4314 120.0845 57.8749 30.0123 179.5906 9 A 4.0516 7.8553 122.3179 55.3030 18.7468 179.2576 10 Q 4.0692 8.0356 115.8931 58.4638 28.6812 178.1046 11 E 4.0589 7.7567 119.7770 59.3920 29.7248 178.7988 12 T 4.0308 7.9308 109.2249 64.0987 68.6458 176.8042 13 R 3.7262 7.5120 121.7478 59.4031 30.1476 178.3630 14 Q 4.2110 7.8072 115.8421 59.0946 28.7687 177.6872 15 H 4.2833 7.7439 120.5812 58.9425 29.8006 177.2950 16 I 3.7019 7.8226 121.9867 64.3242 36.8389 178.3321 17 L 4.0124 7.5951 118.5232 57.7617 41.2460 179.3843 18 D 4.3025 8.1428 119.0027 57.1804 40.7311 178.9973 19 V 3.4612 7.7900 118.5902 65.5869 31.4528 177.9615 20 A 3.3518 8.1523 120.9597 55.0148 18.0496 179.4746 21 L 4.0945 7.3030 117.2710 57.9654 41.7901 178.9695 22 R 4.0128 7.5488 118.8682 59.4063 30.0999 178.4537 23 L 4.0201 7.9667 118.9960 57.4326 41.4797 178.9868 24 F 5.2372 8.6154 118.8655 58.8279 38.5918 177.1602 25 S 4.4194 7.5722 112.6937 60.4915 63.6156 176.2298 26 Q 4.2093 8.0050 120.5993 57.9266 28.8036 176.7553 27 Q 4.4224 7.6415 113.0413 55.0932 29.5917 176.2426 28 G 3.9249 8.1284 108.0839 44.4019 0.0000 173.6451 29 V 3.9941 7.8512 115.7453 63.6326 32.7284 178.4310 30 S 4.3455 8.3931 113.4248 60.0522 62.9075 175.0516 31 S 4.6841 7.9844 113.0093 57.7153 63.0061 173.7519 32 T 4.7717 7.6064 116.7130 62.5447 70.2105 174.0997 33 S 4.6910 8.5030 121.7150 56.8207 65.0774 175.2152 34 L 4.1312 8.4542 119.5181 57.5212 41.2511 179.8895 35 G 3.7405 8.1660 105.6045 47.6061 0.0000 175.5224 36 E 4.1630 7.8786 120.1120 59.1518 29.7287 178.9939 37 I 3.7969 7.7093 119.3274 63.9267 37.3424 177.6123 38 A 4.0833 7.7561 121.5000 54.6559 19.1937 178.2950 39 K 4.5823 7.5674 115.5367 54.8466 31.1996 176.8881 40 A 4.5904 7.4726 117.8322 52.5727 24.3792 177.2886 41 A 4.3261 7.7289 115.4969 52.0517 20.1386 176.6316 42 G 3.7580 9.2658 102.8489 45.3502 0.0000 173.1280 43 V 4.5402 7.4661 115.2610 59.9176 35.1631 175.2689 44 T 4.2547 8.1950 110.7623 61.2296 69.7835 175.7082 45 R 4.2081 8.5829 122.1346 59.1655 29.9337 178.7756 46 G 3.7046 8.2391 104.0021 46.8434 0.0000 174.5732 47 A 4.5061 7.7747 122.4031 53.6609 19.3390 178.9909 48 I 3.9945 7.8862 116.8864 63.8955 38.0011 176.6872 49 Y 4.7385 7.6626 116.4536 58.2715 38.0367 177.0246 50 W 4.2143 7.7912 128.9227 60.5747 30.9307 177.4053 51 H 4.2007 8.2297 114.7056 57.0997 28.8690 175.6012 52 F 5.1711 7.3650 118.4246 55.3684 42.1598 176.1293 53 K 4.1190 9.7045 126.9326 59.0435 32.8188 176.1589 54 D 4.5936 7.5374 118.5935 51.7122 41.2199 175.7384 55 K 3.9903 8.9139 115.5503 60.2227 32.0728 179.2014 56 S 4.2288 8.3813 115.4997 61.4988 62.3311 176.2347 57 D 4.4066 8.3482 120.4642 57.1440 40.8458 177.8869 58 L 3.4948 7.6524 120.1663 57.7776 42.3611 178.3098 59 F 4.4055 8.1876 120.5499 60.9260 39.4246 177.4378 60 S 4.4100 8.6355 115.0109 60.9124 62.3537 175.7507 61 E 4.2223 8.1097 121.1265 58.3648 29.3677 178.7008 62 I 3.6219 7.3467 119.7151 64.4115 36.9062 178.1788 63 W 4.0606 7.8309 117.4577 59.1484 28.9155 178.1095 64 E 4.2574 7.8373 117.8911 57.9700 28.9694 176.4027 65 L 4.5873 7.6771 116.8772 56.6371 44.3042 177.5355 66 S 4.2050 8.0713 111.3176 61.0925 63.6835 173.8433 67 E 4.2442 7.6692 121.9530 56.1498 32.8741 176.8550 68 S 3.5911 9.3858 117.1266 59.2144 61.8388 174.0676 69 N 4.2548 9.4178 130.1462 55.1238 38.4653 174.7229 70 I 3.9024 7.8457 111.6055 64.6067 37.1732 178.4009 71 G 3.6126 8.0483 107.3090 47.5758 0.0000 175.2035 72 E 4.0347 8.1400 121.0995 58.8659 29.7943 178.6531 73 L 4.0547 8.2220 119.4594 57.4138 41.5125 179.3004 74 E 4.0587 8.2196 118.7632 59.5774 29.2794 179.3339 75 L 4.0137 7.6550 118.3315 57.5394 41.5267 179.4386 76 E 3.7232 7.8792 119.0806 59.4641 29.5995 178.1693 77 Y 4.6284 7.8693 115.6843 60.0764 37.9729 177.8580 78 Q 4.1357 8.5040 118.9216 58.6285 28.8705 177.9006 79 A 4.1730 7.4968 120.9845 54.8301 18.4952 179.4839 80 K 4.1670 7.5768 115.0789 57.6272 32.9168 177.1270 81 F 4.7286 8.2423 117.7599 54.7646 39.4138 171.5016 82 P 4.4411 0.0000 0.0000 62.9204 31.9541 176.7796 83 G 3.9469 9.1946 110.9811 46.3902 0.0000 173.6399 84 D 4.6897 7.6681 119.7272 50.4557 41.6550 173.6238 85 P 4.3311 0.0000 0.0000 65.0203 31.6049 178.2643 86 L 3.9505 7.7343 119.9512 58.0475 42.1110 178.8581 87 S 3.8980 7.7845 113.8286 61.0301 62.6569 176.8197 88 V 3.5276 7.3242 120.3218 65.8756 31.1227 177.8801 89 L 3.9655 7.9458 120.0824 57.8753 41.8166 179.0813 90 R 3.7646 7.7199 118.8159 59.5298 30.1162 178.4288 91 E 3.6877 8.2899 118.6621 59.0435 29.2190 179.4469 92 I 3.7186 7.4394 120.0023 64.3760 37.2866 178.4729 93 L 4.1002 7.5212 119.4127 57.5850 41.4076 179.6115 94 I 3.7333 7.7334 120.1266 64.5961 36.9744 177.9292 95 H 4.1726 8.2422 119.2017 59.0530 29.4781 177.5446 96 V 3.6075 8.0239 120.1870 66.0888 31.7528 178.1155 97 L 3.9851 7.8485 118.4417 57.7762 41.4527 179.3740 98 E 3.9367 8.1812 118.9011 59.1346 29.4713 179.4246 99 S 4.0988 8.1791 114.5513 61.6158 62.8969 176.4147 100 T 4.0474 7.4795 117.6292 65.0228 68.1433 175.9222 101 V 3.4873 6.5296 119.0069 64.8881 32.2589 176.8271 102 T 4.2761 7.5540 110.2473 62.3282 68.4982 174.6990 103 E 4.2892 7.6407 120.9529 55.7043 30.7031 177.5254 104 E 3.9792 8.8571 123.1711 59.6889 29.4525 179.6032 105 R 4.0095 7.9378 116.8921 58.4372 30.2900 178.6064 106 R 4.3364 7.8406 116.3634 57.9974 31.1871 178.7290 107 R 4.1265 8.1606 117.9562 59.5507 29.9324 178.5736 108 L 4.0851 7.8268 117.3695 57.3617 41.9564 179.0376 109 L 3.9775 7.3726 120.8663 58.5590 42.0035 179.0393 110 M 4.1866 7.5954 118.2787 57.6952 31.9057 178.2951 111 E 4.2287 8.0825 120.0291 59.3591 29.2444 178.3970 112 I 3.8605 7.7363 120.0162 63.9394 37.0227 177.9827 113 I 3.9059 7.7300 120.2309 65.0286 37.2365 178.2464 114 F 4.7196 7.6602 116.7153 59.8326 38.7739 175.7076 115 H 4.9188 8.0693 111.7235 57.1735 31.2714 175.3968 116 K 4.5914 7.9871 117.3299 56.0408 31.6377 175.3375 117 C 4.5950 7.4813 116.8556 57.5338 35.0986 172.9926 118 E 4.0361 7.9843 122.1611 58.2879 29.6222 179.1438 119 F 3.9962 7.4006 114.7113 59.1040 36.1280 176.1537 120 V 4.3828 7.4815 109.8310 62.1465 36.2258 177.9250 121 G 3.4948 8.1957 108.1799 47.3558 0.0000 174.9248 122 E 4.0683 9.2354 127.7147 58.3321 30.9195 177.7143 123 M 4.1712 7.8053 117.3339 55.9402 32.9293 176.9883 124 A 4.3431 7.7599 120.1049 54.9420 18.8321 179.8780 125 V 3.5512 7.3580 116.0703 66.2805 31.5977 178.5879 126 V 3.7457 7.7205 111.2839 63.8521 31.5998 178.1907 127 Q 4.0804 7.7180 119.0434 59.2614 29.0720 178.0748 128 Q 4.0427 8.1194 118.3458 58.4647 28.5457 178.3600 129 A 4.0549 7.7338 121.7560 54.9800 18.4898 179.4174 130 Q 3.8747 8.2270 116.1350 57.8823 28.7875 178.6549 131 R 3.8367 7.6042 120.1718 59.6344 30.2296 178.3112 132 N 4.4240 7.7300 114.8336 55.9017 38.6354 177.2609 133 L 3.9457 7.4088 120.7118 57.8956 41.6330 178.5612 134 C 4.0395 8.0049 118.9040 62.2474 31.3642 175.5578 135 L 4.2961 7.9440 120.6773 57.8598 41.3295 179.2003 136 E 3.9586 8.3456 118.1750 58.7642 29.2948 179.2160 137 S 4.0755 7.4795 112.6877 61.3533 62.3311 175.5969 138 Y 4.2661 7.4218 118.9545 61.3523 37.4810 178.4463 139 D 4.3950 7.8857 119.4142 57.2322 40.9628 178.8148 140 R 3.9295 7.9431 119.2659 59.2832 29.9650 178.6841 141 I 3.9090 8.2004 120.1661 64.2379 36.7016 178.0161 142 E 3.9376 8.4273 119.6152 59.7258 29.3265 179.5060 143 Q 4.0953 7.9491 117.7826 58.8779 28.9302 178.6768 144 T 4.0337 7.5297 115.7483 66.2470 68.5299 176.9523 145 L 4.0023 8.2475 121.5198 57.7016 41.6835 179.5510 146 K 3.9746 8.4604 118.8920 59.7248 32.0921 178.8667 147 H 4.3532 8.4265 118.3288 59.0463 29.7136 176.8447 148 C 4.2544 7.5966 117.3573 62.0229 28.2205 175.9734 149 I 3.9289 7.5676 121.6388 64.3545 36.4468 178.2466 150 E 3.9450 8.1371 118.3983 59.0575 29.3941 177.7032 151 A 4.2257 7.5215 118.1315 51.5416 18.9426 176.7756 152 K 3.8539 7.4923 115.4054 57.6658 31.0591 176.0592 153 M 4.3507 8.1065 117.5301 55.5050 32.7846 176.7750 154 L 4.8556 7.4695 117.1317 51.6326 45.0933 174.4061 155 P 4.2540 0.0000 0.0000 62.9711 31.8472 177.5053 156 A 4.0221 8.5935 124.5845 54.9453 18.7537 177.8271 157 D 4.7623 7.9505 114.5012 53.2430 39.7856 175.3286 158 L 4.3668 7.3074 121.6130 55.1631 42.9222 176.1868 159 M 4.3028 8.4003 126.6694 54.9593 32.3405 177.4368 160 T 3.8448 8.5083 115.9537 64.6457 69.0824 176.6847 161 R 4.0538 7.7375 122.4105 58.7801 30.0403 178.5616 162 R 3.9135 7.9374 117.1887 59.2014 30.1256 178.7485 163 A 4.1319 8.0256 120.1369 54.8021 17.8309 179.5797 164 A 4.1032 7.9222 119.7125 55.3384 18.3316 179.9639 165 I 3.8033 7.6428 118.1732 64.4402 37.1515 178.8121 166 I 3.8016 7.6273 120.6807 64.4870 36.9995 177.9160 167 M 4.1223 8.2290 119.0655 59.0082 32.1103 178.3251 168 R 4.1179 8.0085 118.1796 59.3807 30.1354 178.7080 169 G 3.6977 8.1398 105.8468 47.8230 0.0000 175.2002 170 Y 4.0488 8.7077 122.2950 60.3875 38.9153 177.9113 171 I 3.7663 7.9841 120.7281 64.6891 37.4810 178.7351 172 S 4.4221 8.3183 115.7596 61.0701 62.6985 177.1479 173 G 3.4307 7.7515 109.1694 47.7494 0.0000 175.9407 174 L 4.0187 7.3887 120.9815 57.2007 41.6219 179.6245 175 M 4.1868 7.7376 118.9232 58.3222 31.6062 178.5048 176 E 3.7971 7.8654 117.4652 58.9700 29.7005 178.8098 177 N 4.4752 8.0475 117.4071 55.7840 38.4230 177.1224 178 W 3.9979 7.9742 128.8045 60.1618 30.8751 177.9497 179 L 4.0951 8.0096 117.8090 57.1379 41.1158 178.9399 180 F 4.2634 7.8746 119.6377 59.4831 40.0805 175.1284 181 A 4.3395 8.0308 123.7710 49.5621 19.5923 174.4305 182 P 2.9773 0.0000 0.0000 65.2982 31.6449 178.0971 183 Q 4.2297 7.5784 114.9560 56.5308 29.3621 177.1387 184 S 4.3651 7.5135 113.0654 60.7082 63.3176 174.3687 185 F 4.9606 7.3597 113.0714 54.8217 40.8009 173.1738 186 D 4.8202 8.8372 121.6089 52.9783 40.8172 176.7385 187 L 4.4734 8.2705 129.8235 57.6367 42.9380 178.0657 188 K 3.9951 7.9376 119.6075 59.2099 32.3759 178.8710 189 K 4.1041 8.5506 117.3923 58.6434 32.3060 178.1880 190 E 4.2430 7.6365 115.1679 55.7800 29.6737 177.5417 191 A 4.0250 7.3222 122.4182 55.5013 17.9662 180.6639 192 R 3.9353 7.8244 115.7576 59.1241 30.0074 178.8510 193 D 4.3633 7.6707 118.6110 57.2904 41.0935 178.1609 194 Y 4.5400 7.8131 117.3886 61.2079 37.9137 178.5885 195 V 3.7743 8.0292 118.6401 65.6030 31.5637 178.0041 196 A 3.9797 7.7356 120.1230 55.1971 17.9633 179.7029 197 I 3.7618 7.6658 118.2147 64.1228 36.8992 178.3300 198 L 3.3296 7.3844 120.1586 58.0895 42.2726 178.8749 199 L 4.1433 7.8613 118.7521 57.6193 41.4015 178.8967 200 E 4.1858 8.0571 117.4639 58.2634 29.3038 179.0920 201 M 3.8064 7.2240 119.6408 58.5259 31.7938 178.0914 202 Y 4.4487 6.8857 114.0090 59.5654 38.1825 176.8990 203 L 4.6750 7.7772 117.8406 55.4361 41.4571 176.1527 204 L 4.5417 7.3224 117.0721 56.6420 44.1374 177.1382 205 C 4.2168 7.6144 115.1983 59.0689 28.4788 173.0735 206 P 4.4783 0.0000 0.0000 63.3988 32.1763 176.4581 207 T 3.6658 8.5926 108.9968 63.9323 69.0612 173.2400 208 L 4.1550 7.5547 120.8873 57.1576 42.0885 177.1321 209 R 4.9397 7.9626 116.3854 55.4688 30.9567 175.7668 210 N 5.1830 8.3578 117.6433 50.5465 40.5567 172.0818 211 P 4.5720 0.0000 0.0000 62.0822 32.8276 176.1130 212 A 4.1449 8.4038 121.4535 52.6322 18.2831 177.4216 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 *6 K 8.30 4.36 0.00 1.51 1.64 0.00 1.48 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.47 7.81 7 Q 8.16 4.41 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 E 8.43 4.25 0.00 2.17 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 0.00 2.34 2.30 0.00 9 A 7.86 4.05 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 10 Q 8.04 4.07 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 11 E 7.76 4.06 0.00 2.28 2.12 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 2.29 2.35 0.00 12 T 7.93 4.03 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 1.26 0.00 0.00 13 R 7.51 3.73 0.00 1.96 2.12 0.00 3.07 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.34 0.00 14 Q 7.81 4.21 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 15 H 7.74 4.28 0.00 3.16 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.82 3.70 2.26 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 1.88 0.85 0.94 0.00 0.00 17 L 7.60 4.01 0.00 1.93 1.69 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.14 4.30 0.00 2.78 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 19 V 7.79 3.46 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 0.99 0.00 0.00 0.79 0.00 0.00 20 A 8.15 3.35 1.08 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 21 L 7.30 4.09 0.00 1.73 1.67 0.85 0.91 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 22 R 7.55 4.01 0.00 2.05 1.94 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 23 L 7.97 4.02 0.00 1.31 1.47 0.76 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.62 5.24 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.57 4.42 0.00 4.09 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 26 Q 8.01 4.21 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 27 Q 7.64 4.42 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 28 G 8.13 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 0.00 0.00 0.00 29 V 7.85 3.99 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 0.19 0.00 0.00 0.29 0.00 0.00 30 S 8.39 4.35 0.00 3.99 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 31 S 7.98 4.68 0.00 3.99 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 32 T 7.61 4.77 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 1.24 0.00 0.00 33 S 8.50 4.69 0.00 4.08 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 34 L 8.45 4.13 0.00 1.72 1.50 0.93 0.18 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 35 G 8.17 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.88 4.16 0.00 2.07 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 2.37 0.00 37 I 7.71 3.80 1.88 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.27 0.74 0.00 0.00 38 A 7.76 4.08 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 39 K 7.57 4.58 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 40 A 7.47 4.59 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 41 A 7.73 4.33 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.27 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 43 V 7.47 4.54 2.12 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 0.85 0.00 0.00 0.98 0.00 0.00 44 T 8.19 4.25 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 45 R 8.58 4.21 0.00 2.00 2.06 0.00 3.36 0.00 0.00 3.46 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 46 G 8.24 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 47 A 7.77 4.51 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 48 I 7.89 3.99 1.96 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 1.67 1.49 1.02 0.00 0.00 49 Y 7.66 4.74 0.00 3.24 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 50 W 7.79 4.21 0.00 3.47 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 51 H 8.23 4.20 0.00 2.91 2.36 0.00 5.69 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 52 F 7.36 5.17 0.00 2.96 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 53 K 9.70 4.12 0.00 1.73 1.91 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.43 7.81 54 D 7.54 4.59 0.00 2.88 2.80 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 55 K 8.91 3.99 0.00 1.76 1.80 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.46 7.81 56 S 8.38 4.23 0.00 4.05 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 57 D 8.35 4.41 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.65 3.49 0.00 1.44 1.86 -0.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.19 4.41 0.00 3.18 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 60 S 8.64 4.41 0.00 4.02 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 61 E 8.11 4.22 0.00 2.56 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 0.00 2.76 2.58 0.00 62 I 7.35 3.62 1.39 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.36 0.41 0.00 0.00 63 W 7.83 4.06 0.00 3.48 3.12 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 64 E 7.84 4.26 0.00 2.15 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 0.00 2.67 2.54 0.00 65 L 7.68 4.59 0.00 1.57 1.64 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.07 4.20 0.00 3.93 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 67 E 7.67 4.24 0.00 1.37 1.59 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 1.67 2.24 0.00 68 S 9.39 3.59 0.00 4.13 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 69 N 9.42 4.25 0.00 2.96 2.87 0.00 0.00 6.65 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.85 3.90 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.49 1.03 0.00 0.00 71 G 8.05 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 0.00 0.00 0.00 72 E 8.14 4.03 0.00 2.10 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 0.00 2.36 2.44 0.00 73 L 8.22 4.05 0.00 1.90 1.86 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.22 4.06 0.00 2.31 2.25 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 2.40 2.62 0.00 75 L 7.65 4.01 0.00 1.85 1.71 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.88 3.72 0.00 1.95 1.72 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 1.79 2.11 0.00 77 Y 7.87 4.63 0.00 3.26 3.12 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 78 Q 8.50 4.14 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 79 A 7.50 4.17 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 80 K 7.58 4.17 0.00 2.03 1.49 0.00 1.46 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.48 7.81 81 F 8.24 4.73 0.00 3.15 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 82 P 0.00 4.44 0.00 2.07 2.01 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 83 G 9.19 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 84 D 7.67 4.69 0.00 2.71 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 85 P 0.00 4.33 0.00 2.13 1.93 0.00 3.70 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 1.94 1.72 0.00 86 L 7.73 3.95 0.00 1.68 1.63 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.78 3.90 0.00 3.50 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 88 V 7.32 3.53 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 1.08 0.00 0.00 1.11 0.00 0.00 89 L 7.95 3.97 0.00 1.91 1.81 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.72 3.76 0.00 1.94 1.80 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 91 E 8.29 3.69 0.00 1.31 1.12 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 2.03 2.30 0.00 92 I 7.44 3.72 1.99 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 1.60 0.70 0.95 0.00 0.00 93 L 7.52 4.10 0.00 1.96 1.77 1.03 0.82 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 94 I 7.73 3.73 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.91 0.00 0.00 95 H 8.24 4.17 0.00 3.49 3.56 0.00 5.78 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 96 V 8.02 3.61 2.25 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 1.03 0.00 0.00 1.07 0.00 0.00 97 L 7.85 3.99 0.00 1.94 1.69 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.18 3.94 0.00 2.05 1.91 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 2.26 2.35 0.00 99 S 8.18 4.10 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.48 4.05 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 1.39 0.00 0.00 101 V 6.53 3.49 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 0.59 0.00 0.00 -0.27 0.00 0.00 102 T 7.55 4.28 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 1.24 0.00 0.00 103 E 7.64 4.29 0.00 2.31 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 104 E 8.86 3.98 0.00 2.07 1.99 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 2.40 2.40 0.00 105 R 7.94 4.01 0.00 1.84 1.91 0.00 3.06 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 106 R 7.84 4.34 0.00 1.96 1.95 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 107 R 8.16 4.13 0.00 2.12 1.99 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.15 0.00 108 L 7.83 4.09 0.00 1.73 1.87 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.37 3.98 0.00 1.79 1.51 0.60 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 110 M 7.60 4.19 0.00 2.57 2.28 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.72 0.00 111 E 8.08 4.23 0.00 2.31 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 0.00 2.37 2.50 0.00 112 I 7.74 3.86 2.14 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 1.95 1.29 1.06 0.00 0.00 113 I 7.73 3.91 1.61 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 2.15 0.72 0.85 0.00 0.00 114 F 7.66 4.72 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.07 4.92 0.00 3.41 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.99 4.59 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.56 7.81 117 C 7.48 4.60 0.00 2.78 2.48 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 0.00 0.00 0.00 0.00 118 E 7.98 4.04 0.00 1.81 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 0.00 2.26 2.10 0.00 119 F 7.40 4.00 0.00 3.20 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 0.00 120 V 7.48 4.38 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 0.80 0.00 0.00 0.91 0.00 0.00 121 G 8.20 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 0.00 122 E 9.24 4.07 0.00 1.96 1.96 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 2.38 2.23 0.00 123 M 7.81 4.17 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 124 A 7.76 4.34 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 0.00 125 V 7.36 3.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 126 V 7.72 3.75 2.22 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 0.85 0.00 0.00 0.92 0.00 0.00 127 Q 7.72 4.08 0.00 2.72 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 128 Q 8.12 4.04 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 129 A 7.73 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.23 3.87 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 131 R 7.60 3.84 0.00 2.14 2.05 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 132 N 7.73 4.42 0.00 2.81 2.82 0.00 0.00 6.73 6.62 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 0.00 133 L 7.41 3.95 0.00 1.75 1.70 0.65 0.78 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 0.00 134 C 8.00 4.04 0.00 3.10 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 0.00 135 L 7.94 4.30 0.00 1.93 1.76 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.35 3.96 0.00 2.05 1.99 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 2.45 2.45 0.00 137 S 7.48 4.08 0.00 4.02 3.71 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 0.00 138 Y 7.42 4.27 0.00 3.27 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 0.00 139 D 7.89 4.39 0.00 3.04 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.94 3.93 0.00 2.11 2.07 0.00 3.10 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 141 I 8.20 3.91 1.93 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 1.80 0.85 0.93 0.00 0.00 142 E 8.43 3.94 0.00 2.22 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 2.38 2.56 0.00 143 Q 7.95 4.10 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 144 T 7.53 4.03 4.33 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 1.23 0.00 0.00 145 L 8.25 4.00 0.00 1.80 1.57 0.76 0.24 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 0.00 146 K 8.46 3.97 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 147 H 8.43 4.35 0.00 3.33 3.48 0.00 5.77 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 0.00 148 C 7.60 4.25 0.00 3.24 2.91 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 0.00 149 I 7.57 3.93 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.33 0.90 0.00 0.00 150 E 8.14 3.94 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 151 A 7.52 4.23 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 0.00 152 K 7.49 3.85 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.43 7.81 153 M 8.11 4.35 0.00 2.03 2.07 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 2.56 2.48 0.00 154 L 7.47 4.86 0.00 1.56 1.52 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.25 0.00 2.18 2.00 0.00 3.74 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 2.26 2.12 0.00 156 A 8.59 4.02 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 0.00 157 D 7.95 4.76 0.00 2.98 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 0.00 158 L 7.31 4.37 0.00 1.70 1.67 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 159 M 8.40 4.30 0.00 2.05 1.98 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 2.74 2.46 0.00 160 T 8.51 3.84 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 1.16 0.00 0.00 161 R 7.74 4.05 0.00 1.90 1.92 0.00 3.10 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 162 R 7.94 3.91 0.00 2.00 1.97 0.00 3.33 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 163 A 8.03 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 7.92 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.64 3.80 1.84 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.09 0.89 0.00 0.00 166 I 7.63 3.80 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.85 0.94 0.00 0.00 167 M 8.23 4.12 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.67 0.00 168 R 8.01 4.12 0.00 1.99 2.11 0.00 2.75 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 169 G 8.14 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 0.00 170 Y 8.71 4.05 0.00 3.09 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 0.00 171 I 7.98 3.77 1.97 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 1.99 1.16 0.98 0.00 0.00 172 S 8.32 4.42 0.00 4.11 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 0.00 173 G 7.75 3.43 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 0.00 174 L 7.39 4.02 0.00 1.61 1.56 -0.16 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 175 M 7.74 4.19 0.00 2.22 2.27 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 2.74 2.60 0.00 176 E 7.87 3.80 0.00 1.49 1.12 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 1.82 2.30 0.00 177 N 8.05 4.48 0.00 3.01 3.15 0.00 0.00 6.50 7.20 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 0.00 178 W 7.97 4.00 0.00 3.25 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 0.00 179 L 8.01 4.10 0.00 2.00 2.08 1.29 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 180 F 7.87 4.26 0.00 3.25 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 0.00 181 A 8.03 4.34 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 0.00 182 P 0.00 2.98 0.00 1.59 1.03 0.00 3.36 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 183 Q 7.58 4.23 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 184 S 7.51 4.37 0.00 4.33 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 0.00 185 F 7.36 4.96 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 D 8.84 4.82 0.00 2.81 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 0.00 187 L 8.27 4.47 0.00 1.15 0.68 1.26 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.94 4.00 0.00 1.64 1.84 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.36 7.81 189 K 8.55 4.10 0.00 1.83 1.83 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 190 E 7.64 4.24 0.00 1.66 1.12 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 2.25 2.42 0.00 191 A 7.32 4.02 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 0.00 192 R 7.82 3.94 0.00 1.81 1.95 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 193 D 7.67 4.36 0.00 2.56 2.58 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 0.00 194 Y 7.81 4.54 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 V 8.03 3.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.10 0.00 0.00 196 A 7.74 3.98 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 0.00 197 I 7.67 3.76 2.03 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 1.43 0.93 0.85 0.00 0.00 198 L 7.38 3.33 0.00 1.51 1.73 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 199 L 7.86 4.14 0.00 1.83 1.66 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.06 4.19 0.00 1.99 1.91 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 2.28 2.34 0.00 201 M 7.22 3.81 0.00 1.61 1.53 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 202 Y 6.89 4.45 0.00 3.00 2.91 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 0.00 203 L 7.78 4.68 0.00 1.76 1.78 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.32 4.54 0.00 1.86 1.65 0.90 0.85 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 0.00 205 C 7.61 4.22 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 P 0.00 4.48 0.00 2.03 2.03 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 207 T 8.59 3.67 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 0.00 208 L 7.55 4.16 0.00 1.77 1.81 1.01 1.08 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 0.00 209 R 7.96 4.94 0.00 1.70 2.06 0.00 3.76 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.42 0.00 210 N 8.36 5.18 0.00 2.66 2.72 0.00 0.00 6.10 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 0.00 211 P 0.00 4.57 0.00 2.09 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 212 A 8.40 4.14 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 * Residues marked with a * may have inaccurate shift predictions.