NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2001 8.2649 123.5862 51.8822 19.3388 176.1922 *2 I 4.1909 8.2005 116.3568 62.4437 38.5260 175.1790 3 R 4.7575 9.2502 123.6240 56.5455 32.8420 175.8217 4 N 5.8824 8.3348 114.8584 51.5160 43.0253 173.6538 5 I 5.0652 9.1409 122.1123 59.5686 41.5148 174.3959 6 V 5.1118 8.9358 126.5381 61.1824 34.3331 174.1475 7 F 5.0363 9.2310 126.1621 55.5554 42.1719 174.7723 8 D 4.7238 8.6184 122.1786 53.5645 42.4849 175.2283 9 L 4.4400 8.6561 122.0880 56.3564 43.1160 176.0420 10 G 3.8929 7.7324 108.7237 47.2271 0.0000 172.0107 11 G 4.5567 9.6566 119.1756 47.1419 0.0000 176.0732 12 V 3.9550 7.7414 118.3713 65.1507 32.0602 176.5617 13 L 4.6511 8.6176 118.9893 54.9667 44.3505 176.2333 14 I 4.9934 7.6329 119.6299 59.2675 40.2188 174.8323 15 H 4.8399 9.2339 128.1359 56.4959 30.7302 174.1417 16 L 5.3340 9.4943 125.5858 53.5286 44.2739 176.3984 17 N 4.8176 9.2683 120.3983 51.1186 40.0535 174.9288 18 R 2.6501 8.3814 122.8890 58.3273 29.7491 178.2164 19 E 3.8266 8.0333 118.8617 59.2640 29.4564 178.8974 20 E 3.7936 7.8567 119.0136 59.3506 29.7104 178.6976 21 S 4.0649 7.6140 112.6186 61.4237 62.3776 175.9058 22 I 3.7444 7.9046 122.9037 64.3040 36.8178 178.2802 23 R 3.8664 8.2399 119.7773 59.6009 29.8447 178.8609 24 R 3.8436 7.9875 117.7418 59.2016 30.0297 179.0052 25 F 4.2788 8.2313 117.6725 60.5186 38.8680 177.7879 26 K 3.9971 8.3016 117.8205 59.6111 31.7127 179.2941 27 A 4.0958 7.9207 119.5751 54.0995 18.1893 177.9898 28 I 4.2211 7.4509 109.5642 60.7522 37.7724 176.9933 29 G 3.9738 8.3573 109.3846 46.0057 0.0000 175.5750 30 V 4.0027 7.7530 120.6744 61.9590 29.8356 176.0078 31 A 4.2044 8.2480 127.1124 54.3209 19.2319 178.1376 32 D 4.8855 8.0275 114.5336 54.4784 41.3121 178.3804 33 I 3.5705 7.3041 121.2028 64.1044 38.1317 176.8567 34 E 4.0518 8.2112 119.9283 59.1091 29.6589 177.4995 35 E 4.1950 7.6243 116.3015 56.6719 29.4158 177.9374 *37 L 4.0611 7.9269 117.3077 55.1377 43.5244 176.3480 38 D 4.6139 7.4619 118.8884 52.1373 42.0749 174.2269 39 P 4.1567 0.0000 0.0000 62.5358 31.2346 176.1264 *43 K 4.0222 8.4854 122.7200 55.0311 33.4151 174.8474 44 G 4.2490 8.2800 111.8734 43.6925 0.0000 173.7325 45 L 4.2888 8.1025 123.4696 58.2697 40.8120 179.5205 46 F 3.9096 8.3081 118.7051 60.2612 38.8587 177.0503 47 L 3.8585 7.9243 119.6942 58.0771 41.9249 178.5541 48 D 4.3410 7.9483 118.7852 56.9938 40.6624 178.5549 49 L 3.7215 7.6981 121.0381 58.1154 41.5898 178.9317 50 E 4.2884 8.1837 119.8024 58.5580 29.4512 178.7946 51 S 4.5447 8.1550 112.8340 58.6696 63.3678 175.9102 52 G 3.9564 7.5609 110.2113 45.4068 0.0000 174.5556 53 R 3.9978 7.7099 119.6967 58.6052 30.2205 176.6811 54 K 4.7276 7.5286 116.3739 54.3244 33.8103 177.0518 55 S 4.3469 8.8422 118.8536 57.8357 64.9105 175.1786 56 E 3.8701 8.6174 121.9766 59.5972 29.2499 178.2003 57 E 4.0205 8.2920 118.5807 59.5784 29.6694 178.5554 58 E 3.9900 8.1503 117.9829 59.3882 29.4521 179.1068 59 F 4.1392 8.6088 121.0602 61.2739 39.4208 177.2148 60 R 3.6198 8.2656 118.4391 59.3421 29.9257 178.4252 61 T 3.8346 7.8657 115.6393 66.9331 68.4652 176.4261 62 E 3.9738 8.1519 120.2427 59.1427 29.3981 179.2509 63 L 3.6650 7.8036 120.7561 57.9172 42.0468 178.9907 64 S 4.7077 8.2615 116.9119 61.1665 62.4177 176.5658 65 R 3.8768 7.9896 121.0888 59.8075 29.5331 177.8104 66 Y 4.0191 8.0426 118.4134 60.0558 38.9222 177.1695 67 I 4.2667 7.8689 111.2423 59.7374 38.8086 175.3492 68 G 3.8442 8.2228 108.0700 45.8123 0.0000 173.9446 69 K 4.3677 7.8078 117.7823 54.8236 35.8945 173.7593 70 E 4.3976 8.8503 127.5462 55.8074 30.1273 175.4892 71 L 5.0055 8.3605 126.6468 53.2039 44.1261 176.9630 72 T 4.5343 8.7205 113.5298 60.4311 71.7519 175.3009 73 Y 4.2389 8.7146 122.3502 61.4249 38.5798 178.4109 74 Q 4.1562 8.3771 119.5031 59.4011 29.2932 178.0729 75 Q 3.9562 8.2113 119.0977 58.8566 28.7547 179.0118 76 V 3.4777 7.5623 118.9515 65.7633 31.5790 177.0573 77 Y 3.3458 7.6536 119.7616 60.8544 38.2774 177.8261 78 D 4.2759 8.1993 117.0085 57.3387 41.6761 177.9137 79 A 3.7307 7.4753 120.5929 54.9315 18.2462 179.6086 80 L 4.1589 7.9072 117.8496 57.9092 41.7447 179.3752 81 L 4.2370 7.9809 118.0157 56.2564 41.2375 179.3340 82 G 3.6125 7.5873 105.6052 47.5412 0.0000 175.3869 83 F 4.6358 8.2637 121.4206 58.6660 39.1282 174.5536 84 L 4.7574 7.5421 118.7659 53.5949 40.3092 175.6851 85 E 4.1299 8.9416 125.2643 57.9543 30.3173 176.9917 86 E 4.4515 7.7753 119.2975 54.8608 32.3643 173.6169 87 I 4.3300 8.2560 127.9355 60.1817 36.8432 176.5764 88 S 4.2118 8.6772 121.3242 57.7265 61.5457 173.7598 89 A 4.0218 8.5079 131.6063 55.1951 18.1849 178.7920 90 E 3.8869 8.0543 115.3960 59.5418 29.7270 179.3717 91 K 3.7462 7.6313 118.9776 58.9544 31.8972 179.4302 92 F 3.5802 8.0065 118.2281 60.2677 38.8718 177.2608 93 D 4.4891 8.4539 118.8995 57.7169 40.4408 178.3958 94 Y 4.2075 7.9720 118.6281 60.8196 39.1209 177.7430 95 I 3.5875 7.8593 120.7852 64.3398 36.6671 177.8984 96 D 4.4460 8.4677 119.4209 57.2916 40.8219 178.3573 97 S 4.2816 7.7012 113.3490 60.7064 63.4860 175.7855 98 L 4.2949 7.7751 122.1697 56.4644 41.0892 178.8541 99 R 3.9481 7.6040 118.3936 58.9079 29.8053 176.5554 100 P 4.0905 0.0000 0.0000 64.5188 31.5036 177.1758 101 D 4.5836 7.8334 115.6043 53.8218 41.9118 175.5910 102 Y 5.0341 6.7676 115.1710 56.2443 42.6292 174.8587 103 R 4.5530 8.8634 121.0852 55.6293 31.9512 175.5541 104 L 5.4034 8.9003 123.8113 53.0619 44.9829 175.6532 105 F 5.5347 9.6138 120.7784 55.8114 44.0571 173.1595 106 L 4.8734 8.3951 123.1248 53.1519 44.2958 174.8304 107 L 5.2364 9.1231 128.2320 53.4248 44.8077 174.9176 108 S 4.9671 8.9429 121.1172 55.4430 66.0597 172.4624 109 N 4.8916 8.8796 124.7529 53.3849 38.9971 174.1056 110 T 4.6404 8.7761 117.9454 61.3142 72.0554 171.5507 111 N 5.0763 8.4151 119.8641 49.5319 40.4605 173.4774 112 P 4.2145 0.0000 0.0000 65.8646 31.1340 178.6927 113 Y 4.3180 7.6852 115.0697 61.2539 37.9902 178.4077 114 V 3.6560 8.3169 119.1375 65.9868 31.3726 178.0262 115 L 3.9936 7.6200 117.4102 57.7907 41.5109 178.7190 116 D 4.5737 8.3756 118.3795 57.3436 40.8748 178.4952 117 L 4.3111 8.0220 119.2987 57.9663 42.5788 180.8075 118 A 2.9692 8.2459 121.3954 50.6199 18.5002 177.0343 *120 S 4.4262 7.5838 114.9697 59.1151 64.3667 172.0400 121 P 4.5458 0.0000 0.0000 63.4582 30.8199 177.3734 122 R 4.6788 7.6588 115.5145 56.3658 30.8039 177.0065 123 F 4.5834 7.9787 120.9357 60.5172 39.8057 175.3653 124 L 4.6486 7.4424 118.2836 51.8329 45.2822 175.5143 125 P 4.4572 0.0000 0.0000 65.6173 31.3643 178.0793 126 S 4.1546 7.9803 111.2250 59.1305 63.3370 175.1062 127 G 3.9161 8.5193 109.1752 46.0774 0.0000 173.3279 128 R 4.3397 7.4188 117.5827 54.9261 31.3973 176.7919 129 T 4.3934 8.1295 111.8834 60.7664 70.5183 175.3317 130 L 4.3175 8.5826 124.6975 58.7409 41.8954 179.0435 131 D 4.6002 8.2490 117.5856 57.1518 40.9945 177.6627 132 S 4.2200 7.7763 112.6104 59.9489 63.1305 175.2377 133 F 4.2837 7.9041 119.8745 56.8753 39.4890 175.3330 134 F 5.0894 6.9322 116.5771 55.2461 42.0294 175.0449 135 D 4.5658 8.9130 123.6718 57.3046 41.3593 176.9699 136 K 4.5662 7.9164 117.2952 55.1035 35.9464 174.6246 137 V 4.3030 8.1701 126.0792 61.6696 32.9588 174.5314 138 Y 4.6312 9.1216 126.6564 56.5119 39.6287 174.3638 139 A 5.0793 8.3224 127.0177 49.9710 20.9129 176.4576 140 S 4.6821 9.4546 118.7657 61.1366 62.8971 177.1312 141 C 4.4285 7.8635 113.5095 59.5514 29.5896 173.6617 142 Q 4.2677 7.9507 119.2797 56.5551 28.0613 176.4618 *144 G 4.4058 8.0046 104.7324 44.9228 0.0000 173.1866 145 K 4.7877 7.8255 117.4090 54.9478 36.8457 174.8733 146 Y 5.1758 7.4740 116.3838 55.3633 40.6492 174.7756 147 K 4.4462 8.6957 122.4922 56.3693 32.6534 174.9154 148 P 4.9623 0.0000 0.0000 62.7996 31.4722 175.7749 149 N 4.4530 7.7115 116.3784 53.7350 39.0632 176.2863 150 E 3.8509 8.7302 121.2901 59.3353 29.4846 179.1186 151 D 4.3321 8.1454 119.0215 56.7722 38.8556 178.7107 152 I 3.5823 7.0946 118.5427 63.6654 38.0533 177.3950 153 F 3.9643 8.1315 117.2177 60.6368 38.9610 177.2183 154 L 4.2041 8.3305 118.7833 57.4632 41.3038 179.3864 155 E 4.0862 8.0569 115.6483 57.2195 29.3010 178.3741 *157 I 3.8963 7.6862 118.3983 60.9569 39.1594 177.6759 158 A 3.9355 8.0574 121.6004 55.3559 18.3461 178.4850 159 D 4.5233 8.3758 114.8053 56.9577 41.4500 177.3778 160 S 4.2802 8.0121 112.1605 58.0377 63.7779 170.1357 161 G 3.5640 8.0211 116.8106 44.5933 0.0000 173.0311 *163 K 3.9456 8.1847 124.5083 54.9732 33.4666 175.3413 164 P 3.1580 0.0000 0.0000 65.2893 31.1872 177.8472 165 E 4.2064 7.8669 112.7761 57.7049 29.9602 176.6270 166 E 4.7318 8.3389 119.1140 56.4273 31.3699 175.0703 167 T 5.2325 8.0358 117.5766 61.6783 72.0706 172.6240 168 L 5.0512 9.0967 128.7000 53.6172 44.0953 174.5791 169 F 5.1881 9.4697 129.4535 56.5951 41.6121 174.1274 170 I 4.5283 7.9323 128.0259 59.6462 39.1391 174.1792 171 D 4.7321 8.2395 126.6229 52.6571 44.6049 175.5158 172 D 4.6987 8.3630 122.9007 53.1993 40.4616 176.0216 173 G 4.0363 8.7441 109.2412 43.2921 0.0000 172.2648 174 P 4.2376 0.0000 0.0000 65.6113 31.5441 178.5622 175 A 4.0008 7.9962 118.6875 55.0052 18.3499 179.2928 176 N 4.4318 8.1900 114.6209 56.5194 38.7251 177.3857 177 V 3.7726 8.2576 119.6904 66.2316 31.6428 177.6820 178 A 3.9557 8.2177 120.5007 55.7304 18.2589 179.8182 179 T 3.5784 7.7496 113.5483 66.4778 68.3609 176.9672 180 A 3.3622 7.4555 122.6907 54.6916 18.2246 179.3914 181 E 3.8771 8.3862 117.5851 59.7432 29.3686 179.5960 182 R 3.8387 7.5250 117.0594 59.2192 30.2273 177.7986 183 L 4.2384 7.4865 115.7748 55.0759 41.9627 177.6501 184 G 3.8941 7.6919 107.5727 44.6685 0.0000 173.9601 185 F 4.5451 7.9753 118.2365 57.4212 39.8993 175.0938 186 H 4.6167 8.8422 119.4628 56.1654 29.5817 174.7103 187 T 5.3452 8.5954 111.9109 60.2339 72.3294 172.4839 188 Y 4.5745 9.0045 123.3508 56.2964 42.6007 173.4614 189 C 5.3780 7.8803 126.9721 56.0229 31.8559 171.3068 190 P 4.7898 0.0000 0.0000 61.8632 33.1520 175.7463 191 D 4.4065 9.4490 121.1394 53.5810 41.4120 175.4877 192 N 4.6632 8.1200 120.0676 55.9505 38.7014 174.9919 193 G 3.7700 8.9661 114.4015 44.8600 0.0000 172.3454 194 E 3.9742 7.8566 120.8759 55.7297 30.1139 176.3000 195 N 4.2106 8.5193 124.7841 52.8237 37.9101 174.7857 196 W 4.7159 7.4036 122.2523 56.3045 28.7776 177.5810 197 I 3.4322 7.1672 121.7571 64.3760 36.6593 176.0539 198 P 4.1296 0.0000 0.0000 65.6599 31.1666 178.5468 199 A 3.9554 7.8671 118.8689 55.1324 18.3702 179.6500 200 I 3.4692 7.9550 118.5408 64.8227 36.9944 178.6091 201 T 4.0547 7.9837 115.7266 66.8256 68.6171 176.5903 202 R 4.0781 7.7875 119.3511 59.3156 30.3316 178.8901 203 L 4.0076 7.7300 118.7529 57.9588 41.3966 179.6891 204 L 4.1459 7.8900 117.5182 57.3915 41.5961 179.3700 205 R 4.1110 7.6867 117.1815 57.5199 30.3305 176.8810 206 E 4.2942 7.4490 116.3668 55.8479 30.6939 176.7654 207 Q 4.2542 8.5153 118.6944 56.2005 29.1122 175.5799 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 0 A 8.26 4.20 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 *2 I 8.20 4.19 1.97 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 1.41 0.83 1.02 0.00 0.00 3 R 9.25 4.76 0.00 1.82 2.05 0.00 3.17 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 4 N 8.33 5.88 0.00 2.84 3.12 0.00 0.00 6.92 7.30 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 5 I 9.14 5.07 1.89 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.56 0.25 0.00 0.00 6 V 8.94 5.11 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 1.27 0.00 0.00 1.16 0.00 0.00 7 F 9.23 5.04 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 8 D 8.62 4.72 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.44 0.00 1.79 1.55 1.26 0.97 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 10 G 7.73 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 11 G 9.66 4.56 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 0.00 12 V 7.74 3.96 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.87 0.00 0.00 13 L 8.62 4.65 0.00 1.79 1.46 0.86 0.42 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 14 I 7.63 4.99 2.02 0.00 0.00 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 1.50 0.95 1.09 0.00 0.00 15 H 9.23 4.84 0.00 3.24 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.49 5.33 0.00 1.67 1.85 0.99 1.12 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 17 N 9.27 4.82 0.00 2.56 2.55 0.00 0.00 7.18 7.50 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 18 R 8.38 2.65 0.00 1.71 2.18 0.00 3.12 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 19 E 8.03 3.83 0.00 2.15 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 2.36 2.39 0.00 20 E 7.86 3.79 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 21 S 7.61 4.06 0.00 3.63 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 22 I 7.90 3.74 1.96 0.00 0.00 0.79 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 0.86 0.96 0.00 0.00 23 R 8.24 3.87 0.00 1.93 2.07 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 24 R 7.99 3.84 0.00 1.65 1.74 0.00 3.06 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 25 F 8.23 4.28 0.00 3.21 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 26 K 8.30 4.00 0.00 2.03 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.66 7.81 27 A 7.92 4.10 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.45 4.22 1.91 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 1.51 0.94 0.90 0.00 0.00 29 G 8.36 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 30 V 7.75 4.00 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 0.93 0.00 0.00 1.15 0.00 0.00 31 A 8.25 4.20 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 32 D 8.03 4.89 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.30 3.57 1.99 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.38 0.95 0.00 0.00 34 E 8.21 4.05 0.00 1.94 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 2.28 2.27 0.00 35 E 7.62 4.20 0.00 2.32 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 0.00 2.32 2.31 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0.90 0.00 0.00 0.98 0.00 0.00 115 L 7.62 3.99 0.00 1.82 1.70 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.38 4.57 0.00 3.10 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 0.00 117 L 8.02 4.31 0.00 1.88 1.97 1.14 1.18 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 0.00 118 A 8.25 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 S 7.58 4.43 0.00 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 0.00 121 P 0.00 4.55 0.00 2.26 2.32 0.00 3.69 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 2.09 2.00 0.00 122 R 7.66 4.68 0.00 1.91 2.04 0.00 3.36 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 123 F 7.98 4.58 0.00 3.23 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 0.00 124 L 7.44 4.65 0.00 1.59 1.34 0.38 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.46 0.00 2.01 2.11 0.00 3.59 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 2.04 0.00 126 S 7.98 4.15 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.52 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 0.00 128 R 7.42 4.34 0.00 1.90 1.66 0.00 3.00 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 129 T 8.13 4.39 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 0.00 130 L 8.58 4.32 0.00 1.54 1.66 1.37 0.96 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 0.00 131 D 8.25 4.60 0.00 2.87 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 0.00 132 S 7.78 4.22 0.00 3.86 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 0.00 133 F 7.90 4.28 0.00 2.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 6.93 5.09 0.00 3.03 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 0.00 135 D 8.91 4.57 0.00 2.05 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 0.00 136 K 7.92 4.57 0.00 1.89 1.69 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.55 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.45 1.18 7.81 137 V 8.17 4.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 138 Y 9.12 4.63 0.00 3.00 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 0.00 139 A 8.32 5.08 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 0.00 140 S 9.45 4.68 0.00 4.23 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 0.00 141 C 7.86 4.43 0.00 3.06 3.32 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 0.00 142 Q 7.95 4.27 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.23 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 *144 G 8.00 4.41 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 0.00 145 K 7.83 4.79 0.00 1.76 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 146 Y 7.47 5.18 0.00 3.08 2.97 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 0.00 147 K 8.70 4.45 0.00 1.87 2.14 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.22 1.26 7.81 148 P 0.00 4.96 0.00 2.20 2.31 0.00 3.88 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 2.04 0.00 149 N 7.71 4.45 0.00 2.73 2.61 0.00 0.00 7.05 7.07 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 0.00 150 E 8.73 3.85 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 2.23 2.26 0.00 151 D 8.15 4.33 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.09 3.58 1.75 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 1.32 0.73 0.68 0.00 0.00 153 F 8.13 3.96 0.00 3.09 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 0.00 154 L 8.33 4.20 0.00 1.78 1.69 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.06 4.09 0.00 2.07 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 2.31 2.35 0.00 *157 I 7.69 3.90 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.85 0.00 0.00 158 A 8.06 3.94 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 0.00 159 D 8.38 4.52 0.00 2.74 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.01 4.28 0.00 3.61 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 0.00 161 G 8.02 3.56 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 0.00 *163 K 8.18 3.95 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.45 7.81 164 P 0.00 3.16 0.00 1.65 0.61 0.00 3.36 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 1.76 1.49 0.00 165 E 7.87 4.21 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 166 E 8.34 4.73 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 167 T 8.04 5.23 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 168 L 9.10 5.05 0.00 1.73 1.46 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 169 F 9.47 5.19 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.93 4.53 1.18 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.13 0.35 0.00 0.00 171 D 8.24 4.73 0.00 1.58 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 0.00 0.00 0.00 0.00 172 D 8.36 4.70 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 8.74 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 0.00 174 P 0.00 4.24 0.00 2.17 2.13 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 175 A 8.00 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.19 4.43 0.00 3.14 3.37 0.00 0.00 6.77 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 0.00 177 V 8.26 3.77 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 1.11 0.00 0.00 1.01 0.00 0.00 178 A 8.22 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 179 T 7.75 3.58 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 180 A 7.46 3.36 0.67 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 0.00 0.00 181 E 8.39 3.88 0.00 2.09 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 2.48 2.46 0.00 182 R 7.53 3.84 0.00 1.98 1.87 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 183 L 7.49 4.24 0.00 1.75 1.72 0.68 0.79 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 0.00 184 G 7.69 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 0.00 185 F 7.98 4.55 0.00 2.88 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 0.00 186 H 8.84 4.62 0.00 3.35 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 T 8.60 5.35 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 188 Y 9.00 4.57 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 C 7.88 5.38 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 P 0.00 4.79 0.00 2.41 2.49 0.00 3.72 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 2.09 1.89 0.00 191 D 9.45 4.41 0.00 2.74 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 0.00 192 N 8.12 4.66 0.00 2.73 2.84 0.00 0.00 7.59 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 0.00 193 G 8.97 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 0.00 0.00 0.00 194 E 7.86 3.97 0.00 2.11 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 0.00 2.43 2.31 0.00 195 N 8.52 4.21 0.00 2.55 2.64 0.00 0.00 7.02 7.95 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 0.00 196 W 7.40 4.72 0.00 3.44 3.37 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 0.00 197 I 7.17 3.43 1.55 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.29 0.11 0.00 0.00 198 P 0.00 4.13 0.00 2.11 2.06 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 199 A 7.87 3.96 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 0.00 200 I 7.95 3.47 2.08 0.00 0.00 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 1.65 0.68 0.97 0.00 0.00 201 T 7.98 4.05 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 202 R 7.79 4.08 0.00 2.11 1.96 0.00 3.31 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 203 L 7.73 4.01 0.00 1.79 1.68 0.85 0.73 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 0.00 204 L 7.89 4.15 0.00 1.71 1.85 0.79 0.42 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 0.00 205 R 7.69 4.11 0.00 2.06 2.03 0.00 3.18 0.00 0.00 3.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 206 E 7.45 4.29 0.00 2.13 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 2.50 2.28 0.00 207 Q 8.52 4.25 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.