NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 F 4.9792 8.3244 122.8307 57.5680 41.2909 174.2122 38 D 4.4211 8.0494 119.5658 51.7364 41.0499 173.8781 39 S 4.4838 8.6707 122.5541 60.2079 64.1015 175.5263 40 T 3.8390 8.1675 114.4614 65.4074 66.9218 174.1436 41 D 4.5315 7.9135 117.8172 55.7708 41.3850 176.6337 42 E 4.2193 7.9424 118.4901 56.2137 30.1022 175.7666 43 T 4.5486 7.9659 114.4379 59.4125 69.4756 172.1228 44 P 4.3140 0.0000 0.0000 61.9389 32.0610 176.1506 45 A 3.9902 8.2949 125.5589 52.5650 18.8811 176.7703 46 S 4.4306 7.8444 114.8383 57.6506 65.3076 173.3881 47 Y 4.7611 8.2195 121.7769 57.7746 38.5242 177.3369 48 N 4.3101 8.3807 122.0749 56.5197 38.7482 176.5719 49 L 3.9155 7.9663 121.2188 58.2594 42.2670 178.7262 50 A 4.0493 8.0678 120.0484 54.9350 18.2793 179.6977 51 V 3.5167 7.5164 116.9949 66.4383 31.5070 178.5354 52 R 3.9606 8.0979 116.6213 59.3012 29.9019 178.9044 53 R 4.1306 7.9929 116.9046 57.9504 30.4173 177.6739 54 A 4.4827 8.1092 119.3198 53.7101 20.3602 178.3997 55 A 3.9160 8.0133 119.1945 55.3071 18.0916 178.1180 56 P 4.2727 0.0000 0.0000 65.0142 31.7170 177.6429 57 A 4.5062 8.2453 118.3117 51.5431 18.9992 176.2856 58 V 4.5661 7.1005 118.3765 61.7580 32.6708 175.7207 59 V 4.7004 8.8826 120.6884 59.4907 35.7334 174.2278 60 N 4.8607 8.8358 120.0002 52.5665 40.1951 174.5368 61 V 4.7678 8.2306 123.3721 61.2251 34.4597 173.5893 62 Y 4.8981 9.0231 125.4819 56.2931 40.6572 174.6014 63 N 4.9538 9.2029 123.9842 52.4362 38.8520 173.7096 64 R 4.2881 8.8202 125.4727 55.6735 31.1666 177.6645 65 G 3.6871 8.6465 109.9511 47.2540 0.0000 173.1991 *76 I 4.0963 7.5684 119.4055 61.3258 37.8462 175.1428 77 R 4.3456 9.5727 126.2051 58.1420 30.9675 176.5823 78 T 4.9967 7.4357 112.0763 62.2761 73.5262 172.6215 79 L 4.9047 8.1823 121.4979 55.1439 43.5922 176.3292 80 G 3.9595 8.4245 106.1636 46.3715 0.0000 172.0266 81 S 5.2860 9.1819 116.6761 57.1783 68.1100 173.3169 82 G 4.2837 8.8263 107.1692 44.1644 0.0000 171.8978 83 V 4.9429 8.5325 119.7575 60.6982 34.1797 175.3876 84 I 4.5514 8.3038 128.7919 60.9553 38.5618 175.2017 *86 D 4.6841 8.4250 122.3128 54.2330 41.7215 177.0663 87 Q 4.1768 8.5780 119.6045 58.1928 28.8392 178.1611 88 R 3.9110 7.8643 116.4332 57.7485 30.5450 177.4868 89 G 3.9714 8.4791 106.4960 46.1385 0.0000 172.1656 90 Y 4.9148 7.8174 117.5096 57.4131 39.5711 174.5646 91 I 4.9048 8.8392 123.7716 59.7139 41.5039 174.2907 92 I 4.8486 8.4429 127.4358 60.6843 39.5154 175.1362 93 T 4.8025 8.5653 119.3426 61.7537 70.6227 171.6256 94 N 5.2791 8.5478 116.6616 51.4601 41.0351 175.7884 95 K 3.9408 9.0032 124.5186 59.8807 32.3668 178.9286 96 H 4.3307 7.7861 112.1685 57.9138 28.5682 176.7249 97 V 3.7403 7.3070 119.8860 65.0131 31.4130 176.5229 98 I 4.3794 7.3827 110.0627 60.2938 37.6863 175.3016 99 N 4.3483 8.0492 118.6388 55.1421 39.1327 174.5664 100 D 4.3140 8.5811 121.0870 55.4714 38.5066 173.5810 101 A 4.9411 7.5369 119.0125 49.8645 21.2332 177.1044 102 D 4.5698 8.8176 123.1360 56.9610 42.0921 176.1313 103 Q 4.6097 8.0162 117.9477 54.2100 33.1326 174.1736 104 I 4.6382 8.3183 124.4780 59.8463 40.4184 173.9013 105 I 4.8460 8.3686 128.7655 59.7164 39.3945 175.1246 106 V 4.8760 8.7733 126.4721 61.0863 33.9700 173.9189 107 A 5.1074 9.1420 130.2607 50.1467 21.1595 176.0265 108 L 4.5715 8.5670 122.9766 54.2542 42.7119 178.4876 109 Q 4.1027 8.5019 119.5741 58.6373 28.8225 177.2450 110 D 4.5121 7.9413 115.3905 53.3002 39.9747 176.0495 111 G 4.0810 7.7612 109.6062 46.1937 0.0000 175.2079 112 R 3.8933 8.4723 118.5957 56.2557 31.3143 176.3580 113 V 4.5939 7.2750 120.5109 61.3170 34.7307 174.1583 114 F 5.2156 8.9630 124.8582 55.9703 44.0660 172.6741 115 E 5.1340 8.9974 120.1711 54.6968 31.0387 174.8107 116 A 5.0729 9.1891 128.3806 50.3028 21.7337 175.5376 117 L 4.7160 8.1350 118.6143 52.3793 44.6949 176.1012 118 L 4.3387 8.7258 126.3743 55.7636 42.0219 176.5606 119 V 4.2039 9.8546 126.4713 62.0760 32.7940 175.6681 120 G 4.2467 7.1843 110.1761 45.9993 0.0000 170.8390 121 S 5.1131 7.7452 114.7946 57.5953 67.2335 174.9866 122 D 4.7040 8.4813 119.8456 52.8215 42.0020 175.1841 123 S 4.1865 8.4871 119.9185 61.2047 63.5260 176.2469 124 L 4.1371 8.2072 119.3138 57.6773 41.2702 178.1007 125 T 4.3724 7.5632 104.2981 60.7685 69.9974 174.2225 126 D 4.5851 8.9989 121.7617 54.9353 40.2784 173.1973 127 L 5.0253 7.5929 116.6112 53.8969 43.9732 175.2094 128 A 4.9198 8.4889 120.0669 50.9430 23.2594 175.3980 129 V 4.8985 8.5538 120.3139 61.1477 34.5653 174.7355 130 L 5.3260 9.0927 126.6362 52.1128 45.9835 175.2234 131 K 5.0398 8.3175 120.4763 54.9411 35.4537 174.5800 132 I 4.6698 8.3358 120.4911 59.1423 40.7233 174.8112 133 N 4.5767 8.6485 123.0692 52.1426 37.7283 174.6643 134 A 4.2642 7.5944 126.5141 50.6593 19.5503 175.6193 135 T 4.3588 8.2239 108.4414 62.3903 68.9252 175.8635 136 G 3.8909 7.7578 109.4005 45.5395 0.0000 171.4859 137 G 4.0324 8.3138 113.9230 45.0460 0.0000 173.6692 138 L 4.8310 10.0280 124.3862 51.9159 44.9839 174.5734 139 P 4.4399 0.0000 0.0000 62.7620 31.9500 175.7526 140 T 4.7871 8.1445 113.0384 59.5872 71.3942 173.8996 141 I 3.9965 8.0845 123.3774 60.2091 39.0869 173.8071 142 P 4.4491 0.0000 0.0000 62.6424 32.1609 175.4800 143 I 4.5644 8.3224 124.9554 59.4657 40.3365 175.3415 144 N 4.7233 7.9364 121.1860 51.3724 39.4818 174.2902 145 A 4.4315 8.6188 128.1107 54.8096 18.7393 178.9658 146 R 4.1924 8.0141 113.5881 57.8288 30.5613 177.0683 147 R 3.9772 8.0018 119.2791 55.8466 30.4605 175.6905 148 V 4.3209 8.1261 124.9894 59.9557 32.5401 173.2190 149 P 4.4142 0.0000 0.0000 63.3084 31.9255 175.4367 150 H 5.0991 9.5118 118.4580 53.4946 31.8287 173.4705 151 I 3.9947 8.1915 122.9728 62.8497 37.2349 176.7542 152 G 4.0548 8.8323 113.8642 44.9138 0.0000 173.4203 153 D 4.5802 7.8962 120.2181 53.9891 42.1808 175.9721 154 V 4.1299 8.3241 122.6893 63.0416 32.8710 175.1567 155 V 4.7752 8.6262 119.6516 59.5791 36.6054 174.2339 156 L 5.1700 8.7632 121.9180 52.9536 45.0320 175.5680 157 A 4.8835 9.1051 126.3579 51.0723 20.8732 175.9909 158 I 4.8354 8.5866 123.3660 59.9426 40.4477 174.7738 159 G 4.1667 8.1735 114.1138 45.7173 0.0000 171.9174 160 N 5.4298 7.9559 110.9902 49.9581 39.1146 173.0930 161 P 4.2180 0.0000 0.0000 64.2631 32.3878 176.7855 162 Y 3.5831 8.6915 118.5722 58.5697 36.1303 169.8942 163 N 4.3918 7.6835 114.4237 54.7150 37.9347 175.1800 164 L 4.1205 7.9289 117.1159 54.9558 42.1438 176.3380 165 G 3.8355 8.7374 104.8388 43.0563 0.0000 172.6710 166 Q 4.3704 8.5996 120.4787 57.0438 29.5568 175.7374 167 T 4.7472 9.3851 122.8643 61.7678 72.2578 172.8213 168 I 5.0895 8.4457 126.0931 59.7705 39.3724 175.0475 169 T 4.7714 8.8282 116.5569 59.8045 72.2242 172.5508 170 Q 4.9258 8.4795 123.3618 54.8597 31.9182 175.3563 171 G 4.0913 8.4827 111.7218 45.9601 0.0000 171.4261 172 I 5.1967 9.2287 115.1920 59.2343 42.2981 174.8416 173 I 4.1866 8.5893 124.0073 61.5547 37.0955 177.4684 174 S 4.3491 9.3207 124.5040 61.0193 63.7244 174.4734 175 A 4.5672 7.5012 117.9357 51.6888 22.1880 175.5759 176 T 4.6550 8.5792 109.4682 59.8880 71.9717 175.0137 177 G 4.4097 8.2578 104.6808 47.2705 0.0000 173.0159 178 R 4.0640 8.4221 121.9658 58.0625 31.6639 175.5080 *188 N 4.5906 7.7520 115.4824 53.4462 39.7638 173.2437 189 F 5.4061 8.4900 123.0906 55.4142 42.8371 174.2724 190 L 4.9381 9.8029 121.4035 53.7539 43.7188 175.5190 191 Q 5.1031 9.2981 124.5553 54.7280 31.5481 174.1814 192 T 5.1454 9.0291 120.2504 60.4507 71.2836 173.3650 193 D 5.6110 8.4844 123.9774 52.3552 40.3543 176.3540 194 A 4.2500 7.8107 122.5135 52.1044 18.9874 178.0265 195 S 4.1551 8.7737 118.8980 58.9705 63.4374 173.9841 196 I 4.4509 8.3608 125.2836 59.4838 39.6508 174.4447 197 N 4.9926 9.1113 121.3209 50.8696 42.6209 173.0904 198 H 4.0875 8.1721 118.6217 57.6538 29.5866 174.8830 199 G 3.6292 8.5723 114.9333 45.9359 0.0000 175.1093 200 N 4.3676 8.3912 117.6868 55.0670 39.1935 175.5358 201 S 4.3462 7.9274 114.5511 60.5662 63.2019 175.4571 202 G 4.5089 8.8246 113.6892 46.3944 0.0000 173.4375 203 G 4.0855 8.3291 107.5835 45.9872 0.0000 172.3842 204 A 5.0771 8.4106 120.7257 50.2130 21.7731 176.1372 205 L 5.1197 8.1858 121.3665 53.5075 44.2928 176.1872 206 V 4.7963 8.5039 119.2169 59.5312 36.2639 175.7367 207 N 5.1694 8.6539 119.6869 50.9412 39.2270 175.8356 208 S 4.3236 8.5113 111.6437 60.6005 63.0580 174.6671 209 L 4.2891 8.2729 120.1797 54.9138 41.9862 177.4445 210 G 3.9595 8.1629 107.0517 44.9024 0.0000 173.3751 211 E 4.1565 8.0461 120.2607 55.4269 30.0676 176.2470 212 L 4.1892 8.3862 126.6948 55.4135 43.2750 175.9666 *214 G 4.0074 8.2175 107.6966 46.2087 0.0000 170.7605 215 I 4.8975 8.2299 119.8999 59.1504 40.1281 175.4982 216 N 4.4714 8.8587 125.4252 54.3335 38.8933 174.1856 217 T 4.6527 8.9396 119.6488 63.5675 70.0671 176.9558 218 L 4.5860 7.1590 120.6663 54.2710 46.5717 173.5086 219 S 4.9277 8.4551 114.7062 56.9658 66.1078 174.1332 220 F 4.1127 8.4323 127.2010 59.2936 39.6586 175.0919 221 D 4.4701 7.8200 124.4432 52.2370 41.5605 173.7590 222 K 4.5899 6.8438 121.5752 55.0466 37.5628 177.3160 223 S 4.4712 7.9064 121.4478 59.1388 65.9905 180.0448 *227 E 4.0363 9.2500 121.0953 56.3607 29.5631 174.6335 228 T 4.4704 8.3031 121.2023 61.1718 69.9194 173.2417 229 P 4.4578 0.0000 0.0000 62.5376 32.1633 175.0941 230 E 4.5133 8.6048 122.2773 55.4188 31.7380 175.5014 231 G 3.7643 8.8424 113.1221 46.3887 0.0000 172.4062 232 I 4.4058 7.6581 120.9966 59.1334 39.1865 174.8298 233 G 3.9830 8.5761 113.9673 44.1369 0.0000 170.2951 234 F 5.8279 8.7000 118.8493 55.7083 42.9325 174.2092 235 A 5.1915 9.0713 121.1795 50.9675 23.2194 175.5675 236 I 4.7126 8.8588 122.6121 60.1446 38.6130 174.0042 237 P 4.6232 0.0000 0.0000 63.0140 32.0049 177.2626 238 F 4.2515 9.4105 119.5013 60.2526 37.6193 177.9275 239 Q 3.5486 6.4744 117.3341 58.8914 28.4735 178.1293 240 L 3.8900 7.6403 121.8034 57.0577 41.8248 178.5508 241 A 4.0439 7.6039 120.3635 55.2188 18.6071 179.2812 242 T 3.9623 7.7536 113.2935 66.6356 68.7932 176.7304 243 K 4.1455 7.9106 120.1742 59.3023 32.0983 180.6293 244 I 3.8148 7.3135 119.4310 61.4495 36.9198 178.0464 *246 D 4.3772 8.0931 121.0331 54.3325 43.1402 177.8293 247 K 3.7940 8.0219 119.9182 59.5924 32.0765 178.3829 248 L 4.2467 7.7321 115.7842 56.3520 41.7034 177.7884 249 I 4.1433 7.5303 119.2406 62.8379 38.2291 177.2253 250 R 4.0456 7.4934 117.8418 59.4027 30.0829 176.3297 251 D 4.5146 7.9455 119.8579 54.5666 40.8781 176.1588 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 37 F 8.32 4.98 0.00 2.89 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 38 D 8.05 4.42 0.00 2.71 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 39 S 8.67 4.48 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.17 3.84 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 1.26 0.00 0.00 41 D 7.91 4.53 0.00 2.70 2.70 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 42 E 7.94 4.22 0.00 2.06 1.88 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 2.35 2.25 0.00 43 T 7.97 4.55 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 1.19 0.00 0.00 44 P 0.00 4.31 0.00 2.05 1.94 0.00 3.71 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 2.06 0.00 45 A 8.29 3.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.84 4.43 0.00 3.72 3.59 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 47 Y 8.22 4.76 0.00 3.13 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 48 N 8.38 4.31 0.00 2.76 2.82 0.00 0.00 6.85 6.19 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 49 L 7.97 3.92 0.00 1.80 1.68 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.07 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.52 3.52 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 52 R 8.10 3.96 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.59 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 53 R 7.99 4.13 0.00 2.01 1.98 0.00 3.17 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 54 A 8.11 4.48 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 55 A 8.01 3.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.27 0.00 2.04 2.15 0.00 3.69 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 2.17 2.16 0.00 57 A 8.25 4.51 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 58 V 7.10 4.57 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 0.87 0.00 0.00 0.93 0.00 0.00 59 V 8.88 4.70 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 0.78 0.00 0.00 1.01 0.00 0.00 60 N 8.84 4.86 0.00 2.83 2.42 0.00 0.00 6.77 7.21 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 61 V 8.23 4.77 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 0.94 0.00 0.00 0.90 0.00 0.00 62 Y 9.02 4.90 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 9.20 4.95 0.00 2.96 2.98 0.00 0.00 6.89 8.37 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 64 R 8.82 4.29 0.00 2.00 1.84 0.00 3.14 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 65 G 8.65 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 I 7.57 4.10 1.93 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 1.45 0.59 1.09 0.00 0.00 77 R 9.57 4.35 0.00 1.78 2.00 0.00 3.32 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 78 T 7.44 5.00 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 1.27 0.00 0.00 79 L 8.18 4.90 0.00 1.29 1.57 0.70 0.35 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 80 G 8.42 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 0.00 0.00 0.00 81 S 9.18 5.29 0.00 3.73 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 82 G 8.83 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 0.00 0.00 0.00 0.00 83 V 8.53 4.94 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 0.99 0.00 0.00 1.00 0.00 0.00 84 I 8.30 4.55 2.01 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 1.29 0.84 0.99 0.00 0.00 *86 D 8.42 4.68 0.00 2.90 2.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.62 4.43 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 0.00 146 R 8.01 4.19 0.00 2.04 2.03 0.00 3.18 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 147 R 8.00 3.98 0.00 1.73 1.89 0.00 3.24 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 148 V 8.13 4.32 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 0.94 0.00 0.00 0.97 0.00 0.00 149 P 0.00 4.41 0.00 2.26 2.12 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 150 H 9.51 5.10 0.00 3.31 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.19 3.99 1.90 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 1.38 0.50 0.98 0.00 0.00 152 G 8.83 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 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0.00 161 P 0.00 4.22 0.00 2.21 2.25 0.00 3.96 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 162 Y 8.69 3.58 0.00 3.14 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 0.00 163 N 7.68 4.39 0.00 2.83 2.94 0.00 0.00 7.08 7.64 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 0.00 164 L 7.93 4.12 0.00 1.76 1.76 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.74 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 0.00 0.00 0.00 166 Q 8.60 4.37 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 167 T 9.39 4.75 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 1.23 0.00 0.00 168 I 8.45 5.09 1.89 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 1.41 0.87 0.91 0.00 0.00 169 T 8.83 4.77 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 1.21 0.00 0.00 170 Q 8.48 4.93 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.11 1.89 0.00 171 G 8.48 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 0.00 0.00 0.00 172 I 9.23 5.20 1.93 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 1.35 0.87 0.89 0.00 0.00 173 I 8.59 4.19 2.03 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 1.24 0.57 0.94 0.00 0.00 174 S 9.32 4.35 0.00 3.79 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 0.00 175 A 7.50 4.57 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 0.00 176 T 8.58 4.65 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 0.00 177 G 8.26 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 0.00 178 R 8.42 4.06 0.00 2.09 2.01 0.00 3.38 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 *188 N 7.75 4.59 0.00 2.67 2.60 0.00 0.00 7.09 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 0.00 189 F 8.49 5.41 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 9.80 4.94 0.00 1.75 1.67 1.02 1.05 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 0.00 191 Q 9.30 5.10 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 192 T 9.03 5.15 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 1.19 0.00 0.00 193 D 8.48 5.61 0.00 2.71 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 0.00 194 A 7.81 4.25 1.20 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 0.00 195 S 8.77 4.16 0.00 3.77 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 0.00 196 I 8.36 4.45 1.82 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 1.59 0.82 0.86 0.00 0.00 197 N 9.11 4.99 0.00 2.50 2.35 0.00 0.00 6.31 8.04 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 0.00 198 H 8.17 4.09 0.00 3.08 2.77 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 G 8.57 3.63 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 0.00 0.00 0.00 200 N 8.39 4.37 0.00 2.90 2.82 0.00 0.00 6.79 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 0.00 201 S 7.93 4.35 0.00 3.86 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 0.00 202 G 8.82 4.51 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 0.00 0.00 0.00 203 G 8.33 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 0.00 0.00 0.00 204 A 8.41 5.08 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 0.00 205 L 8.19 5.12 0.00 1.58 1.56 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 206 V 8.50 4.80 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 0.70 0.00 0.00 0.90 0.00 0.00 207 N 8.65 5.17 0.00 2.93 2.94 0.00 0.00 6.65 7.34 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 0.00 208 S 8.51 4.32 0.00 4.22 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.27 4.29 0.00 1.75 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 210 G 8.16 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 0.00 0.00 0.00 211 E 8.05 4.16 0.00 2.06 1.67 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 2.30 2.23 0.00 212 L 8.39 4.19 0.00 1.52 1.42 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *214 G 8.22 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 0.00 0.00 0.00 215 I 8.23 4.90 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 1.01 0.00 0.00 216 N 8.86 4.47 0.00 2.68 2.74 0.00 0.00 6.42 6.69 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 0.00 217 T 8.94 4.65 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 1.20 0.00 0.00 218 L 7.16 4.59 0.00 1.56 1.55 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 219 S 8.46 4.93 0.00 3.68 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 0.00 220 F 8.43 4.11 0.00 3.26 3.03 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 0.00 221 D 7.82 4.47 0.00 2.67 2.35 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 0.00 222 K 6.84 4.59 0.00 1.28 1.53 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 0.93 7.81 223 S 7.91 4.47 0.00 3.95 3.02 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 0.00 *227 E 9.25 4.04 0.00 2.03 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 0.00 2.23 2.35 0.00 228 T 8.30 4.47 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 0.00 229 P 0.00 4.46 0.00 2.40 2.34 0.00 3.81 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 2.08 2.06 0.00 230 E 8.60 4.51 0.00 1.92 1.85 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 2.17 2.26 0.00 231 G 8.84 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 0.00 0.00 0.00 232 I 7.66 4.41 1.85 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 1.15 0.85 0.61 0.00 0.00 233 G 8.58 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 0.00 0.00 0.00 234 F 8.70 5.83 0.00 2.67 2.50 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 0.00 235 A 9.07 5.19 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 0.00 236 I 8.86 4.71 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.93 0.00 0.00 237 P 0.00 4.62 0.00 1.98 2.00 0.00 3.59 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 238 F 9.41 4.25 0.00 3.32 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 0.00 239 Q 6.47 3.55 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 240 L 7.64 3.89 0.00 1.61 1.76 0.79 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 241 A 7.60 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 242 T 7.75 3.96 4.35 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 1.25 0.00 0.00 243 K 7.91 4.15 0.00 1.92 1.80 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.61 7.81 244 I 7.31 3.81 1.99 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 1.78 0.78 0.94 0.00 0.00 *246 D 8.09 4.38 0.00 2.81 2.68 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 0.00 247 K 8.02 3.79 0.00 1.76 1.95 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 248 L 7.73 4.25 0.00 1.66 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 249 I 7.53 4.14 1.82 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 0.97 0.31 0.72 0.00 0.00 250 R 7.49 4.05 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.74 0.00 251 D 7.95 4.51 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.