REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3l56_1_B DATA FIRST_RESID 541 DATA SEQUENCE GPESVLVNTY QWIIRNWETV KIQWSQDPTM LYNKMEFEPF QSLVPKAARG DATA SEQUENCE QYSGFVRTLF QQMRDVLGTF DTVQIIKLLP FAAAPPKQSR MQFSSLTVNV DATA SEQUENCE RGSGMRILVR GNSPVFNYNK ATKRLTVLGK DAGALTEDPD EGTAGVESAV DATA SEQUENCE LRGFLILGKE DKRYGPALSI NELSNLAKGE KANVLIGQGD VVLVMKRKRD DATA SEQUENCE SSILT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 541 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 541 G HA3 0.000 3.963 3.960 0.006 0.000 0.244 541 G C 0.000 174.900 174.900 -0.000 0.000 0.946 541 G CA 0.000 45.103 45.100 0.004 0.000 0.502 542 P HA 0.085 4.505 4.420 -0.000 0.000 0.219 542 P C 1.399 178.690 177.300 -0.015 0.000 1.150 542 P CA 1.529 64.614 63.100 -0.025 0.000 0.814 542 P CB 0.172 31.852 31.700 -0.034 0.000 0.787 543 E N 0.261 120.464 120.200 0.005 0.000 2.085 543 E HA -0.189 4.164 4.350 0.006 0.000 0.194 543 E C 1.899 178.527 176.600 0.046 0.000 0.994 543 E CA 1.807 58.222 56.400 0.027 0.000 0.801 543 E CB -0.277 29.440 29.700 0.029 0.000 0.743 543 E HN 0.239 8.599 8.360 -0.000 0.000 0.453 544 S N -0.551 115.173 115.700 0.039 0.000 2.461 544 S HA -0.043 4.431 4.470 0.006 0.000 0.228 544 S C 2.028 176.663 174.600 0.058 0.000 1.005 544 S CA 0.746 58.977 58.200 0.053 0.000 0.942 544 S CB 0.013 63.239 63.200 0.042 0.000 0.776 544 S HN 0.162 8.472 8.310 -0.000 0.000 0.514 545 V N 2.259 122.194 119.914 0.035 0.000 2.332 545 V HA -0.141 3.983 4.120 0.006 0.000 0.248 545 V C 2.585 178.722 176.094 0.071 0.000 1.055 545 V CA 1.894 64.213 62.300 0.032 0.000 1.038 545 V CB -0.781 31.036 31.823 -0.011 0.000 0.651 545 V HN 0.507 8.697 8.190 -0.000 0.000 0.450 546 L N -0.573 120.691 121.223 0.068 0.000 2.017 546 L HA -0.144 4.200 4.340 0.006 0.000 0.208 546 L C 2.501 179.537 176.870 0.278 0.000 1.073 546 L CA 1.308 56.249 54.840 0.168 0.000 0.745 546 L CB -0.721 41.446 42.059 0.181 0.000 0.894 546 L HN 0.217 8.447 8.230 -0.000 0.000 0.432 547 V N 0.191 120.235 119.914 0.216 0.000 2.295 547 V HA -0.269 3.855 4.120 0.006 0.000 0.246 547 V C 2.171 178.395 176.094 0.216 0.000 1.049 547 V CA 1.885 64.317 62.300 0.220 0.000 1.024 547 V CB -0.745 31.161 31.823 0.137 0.000 0.648 547 V HN 0.492 8.682 8.190 -0.000 0.000 0.447 548 N N -0.076 118.724 118.700 0.166 0.000 2.309 548 N HA -0.110 4.633 4.740 0.006 0.000 0.182 548 N C 1.870 177.506 175.510 0.210 0.000 1.018 548 N CA 1.693 54.844 53.050 0.168 0.000 0.876 548 N CB -0.469 38.088 38.487 0.117 0.000 0.972 548 N HN 0.477 8.857 8.380 -0.000 0.000 0.434 549 T N 0.372 115.026 114.554 0.167 0.000 2.770 549 T HA -0.051 4.303 4.350 0.006 0.000 0.263 549 T C 1.561 176.385 174.700 0.207 0.000 1.039 549 T CA 0.886 63.066 62.100 0.134 0.000 1.142 549 T CB -0.340 68.555 68.868 0.046 0.000 0.868 549 T HN 0.170 8.410 8.240 -0.000 0.000 0.435 550 Y N 2.021 122.514 120.300 0.322 0.000 2.145 550 Y HA -0.116 4.438 4.550 0.006 0.000 0.286 550 Y C 2.774 178.819 175.900 0.242 0.000 1.145 550 Y CA 0.804 59.080 58.100 0.292 0.000 1.148 550 Y CB -0.784 37.841 38.460 0.277 0.000 0.981 550 Y HN 0.288 8.568 8.280 -0.000 0.000 0.507 551 Q N -1.536 118.468 119.800 0.341 0.000 2.096 551 Q HA -0.283 4.061 4.340 0.006 0.000 0.204 551 Q C 2.082 178.224 176.000 0.237 0.000 0.982 551 Q CA 1.895 57.836 55.803 0.229 0.000 0.850 551 Q CB -0.725 28.119 28.738 0.176 0.000 0.901 551 Q HN 0.670 8.940 8.270 -0.000 0.000 0.422 552 W N 1.394 122.767 121.300 0.121 0.000 2.318 552 W HA -0.235 4.428 4.660 0.005 0.000 0.313 552 W C 1.694 178.295 176.519 0.137 0.000 1.221 552 W CA 1.594 58.994 57.345 0.093 0.000 1.266 552 W CB -0.207 29.280 29.460 0.045 0.000 1.150 552 W HN 0.031 8.211 8.180 -0.000 0.000 0.496 553 I N 0.218 121.073 120.570 0.475 0.000 2.179 553 I HA -0.362 3.812 4.170 0.006 0.000 0.242 553 I C 2.365 178.615 176.117 0.222 0.000 1.088 553 I CA 1.757 63.295 61.300 0.396 0.000 1.357 553 I CB -0.709 37.626 38.000 0.557 0.000 1.051 553 I HN -0.002 8.208 8.210 -0.000 0.000 0.409 554 I N 0.208 120.889 120.570 0.185 0.000 2.163 554 I HA -0.307 3.866 4.170 0.006 0.000 0.243 554 I C 2.759 178.913 176.117 0.062 0.000 1.085 554 I CA 1.419 62.776 61.300 0.095 0.000 1.347 554 I CB -0.494 37.530 38.000 0.040 0.000 1.044 554 I HN 0.164 8.374 8.210 -0.000 0.000 0.408 555 R N 0.739 121.226 120.500 -0.021 0.000 2.105 555 R HA -0.111 4.233 4.340 0.006 0.000 0.239 555 R C 1.155 177.365 176.300 -0.149 0.000 1.135 555 R CA 1.185 57.234 56.100 -0.086 0.000 0.967 555 R CB -0.313 29.904 30.300 -0.138 0.000 0.861 555 R HN 0.480 8.750 8.270 -0.000 0.000 0.442 556 N N 0.035 118.552 118.700 -0.304 0.000 2.295 556 N HA -0.073 4.671 4.740 0.006 0.000 0.221 556 N C 0.748 176.176 175.510 -0.137 0.000 1.129 556 N CA -0.138 52.692 53.050 -0.366 0.000 0.836 556 N CB 0.166 38.120 38.487 -0.888 0.000 1.040 556 N HN 0.411 8.791 8.380 -0.000 0.000 0.494 557 W N 2.177 123.380 121.300 -0.162 0.000 2.342 557 W HA -0.151 4.512 4.660 0.005 0.000 0.297 557 W C 0.953 177.442 176.519 -0.050 0.000 1.213 557 W CA 1.000 58.300 57.345 -0.076 0.000 1.251 557 W CB 0.382 29.815 29.460 -0.045 0.000 1.136 557 W HN 0.083 8.263 8.180 -0.000 0.000 0.526 558 E N -0.411 119.695 120.200 -0.158 0.000 2.204 558 E HA -0.166 4.188 4.350 0.006 0.000 0.194 558 E C 2.141 178.589 176.600 -0.254 0.000 0.989 558 E CA 2.160 58.419 56.400 -0.235 0.000 0.824 558 E CB -0.715 28.931 29.700 -0.090 0.000 0.756 558 E HN 0.452 8.812 8.360 -0.000 0.000 0.477 559 T N -2.527 111.902 114.554 -0.208 0.000 3.039 559 T HA 0.068 4.421 4.350 0.006 0.000 0.250 559 T C 2.113 176.715 174.700 -0.164 0.000 1.052 559 T CA 0.389 62.393 62.100 -0.159 0.000 1.125 559 T CB -0.294 68.513 68.868 -0.101 0.000 0.908 559 T HN -0.079 8.161 8.240 -0.000 0.000 0.473 560 V N 2.100 121.893 119.914 -0.201 0.000 2.343 560 V HA -0.132 3.992 4.120 0.006 0.000 0.247 560 V C 2.834 178.767 176.094 -0.269 0.000 1.051 560 V CA 2.204 64.432 62.300 -0.120 0.000 1.036 560 V CB -0.659 31.170 31.823 0.009 0.000 0.654 560 V HN 0.573 8.763 8.190 -0.000 0.000 0.451 561 K N 0.117 120.097 120.400 -0.700 0.000 2.026 561 K HA -0.173 4.151 4.320 0.006 0.000 0.208 561 K C 2.091 178.577 176.600 -0.190 0.000 1.048 561 K CA 1.908 57.780 56.287 -0.693 0.000 0.929 561 K CB -0.275 31.600 32.500 -1.041 0.000 0.713 561 K HN 0.427 8.677 8.250 -0.000 0.000 0.439 562 I N 1.216 121.668 120.570 -0.196 0.000 2.179 562 I HA -0.303 3.870 4.170 0.006 0.000 0.242 562 I C 2.601 178.702 176.117 -0.027 0.000 1.088 562 I CA 1.427 62.673 61.300 -0.090 0.000 1.357 562 I CB -0.314 37.624 38.000 -0.103 0.000 1.051 562 I HN 0.311 8.521 8.210 -0.000 0.000 0.409 563 Q N -0.522 119.260 119.800 -0.029 0.000 2.170 563 Q HA -0.262 4.081 4.340 0.006 0.000 0.203 563 Q C 2.035 178.031 176.000 -0.006 0.000 0.976 563 Q CA 1.868 57.661 55.803 -0.017 0.000 0.858 563 Q CB -0.269 28.472 28.738 0.004 0.000 0.907 563 Q HN 0.621 8.891 8.270 -0.000 0.000 0.433 564 W N 1.026 122.245 121.300 -0.134 0.000 2.358 564 W HA -0.202 4.462 4.660 0.005 0.000 0.303 564 W C 2.175 178.637 176.519 -0.096 0.000 1.208 564 W CA 1.831 59.098 57.345 -0.130 0.000 1.274 564 W CB -0.076 29.300 29.460 -0.139 0.000 1.138 564 W HN -0.057 8.123 8.180 -0.000 0.000 0.515 565 S N -0.140 115.666 115.700 0.176 0.000 2.357 565 S HA -0.241 4.233 4.470 0.006 0.000 0.221 565 S C 1.719 176.246 174.600 -0.122 0.000 1.031 565 S CA 1.666 59.877 58.200 0.019 0.000 0.982 565 S CB -0.509 62.789 63.200 0.163 0.000 0.853 565 S HN 0.637 8.947 8.310 -0.000 0.000 0.458 566 Q N -0.130 119.620 119.800 -0.083 0.000 2.317 566 Q HA 0.248 4.591 4.340 0.006 0.000 0.220 566 Q C -0.540 175.393 176.000 -0.111 0.000 0.873 566 Q CA 0.406 56.155 55.803 -0.089 0.000 0.936 566 Q CB 0.386 29.090 28.738 -0.056 0.000 1.105 566 Q HN 0.213 8.483 8.270 -0.000 0.000 0.520 567 D N 0.369 120.685 120.400 -0.141 0.000 2.978 567 D HA 0.233 4.877 4.640 0.006 0.000 0.268 567 D C -2.277 173.873 176.300 -0.250 0.000 1.252 567 D CA -1.863 52.044 54.000 -0.154 0.000 0.771 567 D CB 1.259 42.001 40.800 -0.096 0.000 1.361 567 D HN -0.144 8.226 8.370 -0.000 0.000 0.558 568 P HA -0.137 4.283 4.420 -0.000 0.000 0.216 568 P C 1.425 178.227 177.300 -0.830 0.000 1.150 568 P CA 1.353 63.981 63.100 -0.786 0.000 0.843 568 P CB 0.323 31.581 31.700 -0.737 0.000 0.787 569 T N -0.775 113.552 114.554 -0.378 0.000 2.684 569 T HA -0.221 4.132 4.350 0.006 0.000 0.267 569 T C 1.740 176.385 174.700 -0.092 0.000 1.036 569 T CA 1.865 63.871 62.100 -0.156 0.000 1.148 569 T CB -0.709 68.125 68.868 -0.056 0.000 0.863 569 T HN 0.077 8.317 8.240 -0.000 0.000 0.436 570 M N 0.850 120.392 119.600 -0.097 0.000 2.132 570 M HA 0.062 4.545 4.480 0.006 0.000 0.263 570 M C 1.917 178.235 176.300 0.030 0.000 1.065 570 M CA 1.237 56.524 55.300 -0.021 0.000 1.122 570 M CB -0.623 31.963 32.600 -0.023 0.000 1.365 570 M HN 0.197 8.487 8.290 -0.000 0.000 0.411 571 L N -0.526 120.689 121.223 -0.015 0.000 2.017 571 L HA -0.168 4.175 4.340 0.006 0.000 0.208 571 L C 1.929 179.031 176.870 0.386 0.000 1.073 571 L CA 1.988 56.926 54.840 0.163 0.000 0.745 571 L CB -1.286 40.845 42.059 0.119 0.000 0.894 571 L HN 0.385 8.615 8.230 -0.000 0.000 0.432 572 Y N -0.084 120.349 120.300 0.221 0.000 2.224 572 Y HA -0.136 4.417 4.550 0.005 0.000 0.289 572 Y C 2.239 178.267 175.900 0.214 0.000 1.146 572 Y CA 0.967 59.187 58.100 0.201 0.000 1.182 572 Y CB -1.299 37.229 38.460 0.114 0.000 0.983 572 Y HN 0.366 8.646 8.280 -0.000 0.000 0.524 573 N N 0.633 119.506 118.700 0.289 0.000 2.398 573 N HA -0.023 4.721 4.740 0.006 0.000 0.188 573 N C 0.094 175.675 175.510 0.119 0.000 1.122 573 N CA 0.205 53.361 53.050 0.178 0.000 0.866 573 N CB -0.149 38.403 38.487 0.108 0.000 0.970 573 N HN 0.257 8.637 8.380 -0.000 0.000 0.462 574 K N 0.744 121.221 120.400 0.127 0.000 2.484 574 K HA -0.033 4.290 4.320 0.006 0.000 0.280 574 K C 1.399 177.903 176.600 -0.159 0.000 1.013 574 K CA 0.036 56.278 56.287 -0.075 0.000 1.029 574 K CB 0.659 33.007 32.500 -0.253 0.000 0.902 574 K HN 0.079 8.329 8.250 -0.000 0.000 0.481 575 M N 2.616 122.109 119.600 -0.178 0.000 2.374 575 M HA -0.165 4.318 4.480 0.006 0.000 0.264 575 M C 0.684 176.813 176.300 -0.286 0.000 1.067 575 M CA 1.681 56.883 55.300 -0.164 0.000 1.103 575 M CB 0.181 32.710 32.600 -0.119 0.000 1.402 575 M HN 0.576 8.866 8.290 -0.000 0.000 0.444 576 E N -0.054 119.811 120.200 -0.558 0.000 2.333 576 E HA -0.132 4.221 4.350 0.006 0.000 0.198 576 E C 0.945 177.120 176.600 -0.707 0.000 1.007 576 E CA 1.150 57.049 56.400 -0.835 0.000 0.845 576 E CB -0.147 28.576 29.700 -1.628 0.000 0.766 576 E HN 0.532 8.892 8.360 -0.000 0.000 0.507 577 F N 0.340 120.123 119.950 -0.279 0.000 2.727 577 F HA 0.160 4.691 4.527 0.006 0.000 0.302 577 F C 1.805 177.553 175.800 -0.086 0.000 1.097 577 F CA 0.009 57.897 58.000 -0.187 0.000 1.330 577 F CB 0.203 39.109 39.000 -0.156 0.000 1.084 577 F HN -0.061 8.239 8.300 -0.000 0.000 0.578 578 E N 0.737 120.964 120.200 0.046 0.000 2.106 578 E HA -0.121 4.232 4.350 0.006 0.000 0.192 578 E C -0.432 176.192 176.600 0.040 0.000 0.984 578 E CA 1.139 57.563 56.400 0.040 0.000 0.806 578 E CB -1.475 28.223 29.700 -0.004 0.000 0.750 578 E HN 0.282 8.642 8.360 -0.000 0.000 0.458 579 P HA -0.140 4.280 4.420 -0.000 0.000 0.215 579 P C 1.495 178.825 177.300 0.049 0.000 1.157 579 P CA 0.928 64.038 63.100 0.017 0.000 0.863 579 P CB -0.238 31.459 31.700 -0.005 0.000 0.787 580 F N 0.456 120.363 119.950 -0.072 0.000 2.095 580 F HA -0.239 4.292 4.527 0.005 0.000 0.298 580 F C 2.310 178.036 175.800 -0.123 0.000 1.104 580 F CA 1.439 59.366 58.000 -0.121 0.000 1.232 580 F CB -0.433 38.460 39.000 -0.178 0.000 0.987 580 F HN -0.171 8.129 8.300 -0.000 0.000 0.475 581 Q N 0.213 120.148 119.800 0.224 0.000 2.181 581 Q HA -0.193 4.150 4.340 0.006 0.000 0.205 581 Q C 2.428 178.452 176.000 0.040 0.000 0.980 581 Q CA 1.772 57.650 55.803 0.126 0.000 0.862 581 Q CB -0.778 28.020 28.738 0.098 0.000 0.905 581 Q HN 0.573 8.843 8.270 -0.000 0.000 0.429 582 S N -0.517 115.190 115.700 0.012 0.000 2.481 582 S HA 0.007 4.481 4.470 0.006 0.000 0.231 582 S C 1.825 176.400 174.600 -0.041 0.000 0.996 582 S CA 0.366 58.559 58.200 -0.013 0.000 0.942 582 S CB -0.209 62.983 63.200 -0.013 0.000 0.768 582 S HN 0.309 8.619 8.310 -0.000 0.000 0.520 583 L N 1.209 122.377 121.223 -0.091 0.000 2.529 583 L HA 0.282 4.626 4.340 0.006 0.000 0.223 583 L C 0.079 176.894 176.870 -0.092 0.000 1.113 583 L CA -0.141 54.623 54.840 -0.127 0.000 0.861 583 L CB -0.056 41.859 42.059 -0.240 0.000 1.012 583 L HN 0.159 8.389 8.230 -0.000 0.000 0.461 584 V N 1.603 121.491 119.914 -0.044 0.000 2.488 584 V HA 0.180 4.303 4.120 0.006 0.000 0.277 584 V C -1.998 174.117 176.094 0.034 0.000 1.046 584 V CA -1.551 60.795 62.300 0.077 0.000 0.986 584 V CB 0.606 32.549 31.823 0.200 0.000 0.989 584 V HN -0.011 8.179 8.190 -0.000 0.000 0.475 585 P HA 0.002 4.422 4.420 -0.000 0.000 0.262 585 P C 0.777 178.041 177.300 -0.059 0.000 1.182 585 P CA 0.120 63.208 63.100 -0.021 0.000 0.761 585 P CB 0.544 32.230 31.700 -0.023 0.000 0.795 586 K N 4.233 124.608 120.400 -0.042 0.000 2.059 586 K HA -0.260 4.063 4.320 0.006 0.000 0.212 586 K C 1.719 178.276 176.600 -0.071 0.000 1.050 586 K CA 2.088 58.349 56.287 -0.044 0.000 0.927 586 K CB -0.617 31.866 32.500 -0.028 0.000 0.714 586 K HN 0.455 8.705 8.250 -0.000 0.000 0.447 587 A N 0.004 122.778 122.820 -0.077 0.000 2.121 587 A HA 0.013 4.336 4.320 0.006 0.000 0.218 587 A C 2.026 179.523 177.584 -0.146 0.000 1.154 587 A CA 1.632 53.619 52.037 -0.084 0.000 0.679 587 A CB -0.425 18.540 19.000 -0.059 0.000 0.795 587 A HN 0.505 8.655 8.150 -0.000 0.000 0.458 588 A N -0.984 121.679 122.820 -0.261 0.000 2.197 588 A HA 0.228 4.551 4.320 0.006 0.000 0.210 588 A C 1.956 179.172 177.584 -0.613 0.000 1.180 588 A CA 0.427 52.133 52.037 -0.551 0.000 0.846 588 A CB -0.155 18.279 19.000 -0.943 0.000 0.884 588 A HN 0.446 8.596 8.150 -0.000 0.000 0.487 589 R N -0.054 120.264 120.500 -0.304 0.000 2.115 589 R HA -0.187 4.156 4.340 0.006 0.000 0.239 589 R C 2.335 178.600 176.300 -0.057 0.000 1.133 589 R CA 1.771 57.804 56.100 -0.112 0.000 0.935 589 R CB -0.741 29.539 30.300 -0.033 0.000 0.853 589 R HN 0.496 8.766 8.270 -0.000 0.000 0.433 590 G N 0.301 109.065 108.800 -0.060 0.000 2.446 590 G HA2 -0.316 3.648 3.960 0.006 0.000 0.217 590 G HA3 -0.316 3.648 3.960 0.006 0.000 0.217 590 G C 1.307 176.204 174.900 -0.004 0.000 1.168 590 G CA 0.723 45.810 45.100 -0.021 0.000 0.771 590 G HN 0.353 8.643 8.290 -0.000 0.000 0.551 591 Q N -1.134 118.654 119.800 -0.020 0.000 2.123 591 Q HA -0.051 4.293 4.340 0.006 0.000 0.199 591 Q C 2.432 178.438 176.000 0.010 0.000 0.966 591 Q CA 0.880 56.718 55.803 0.058 0.000 0.845 591 Q CB -0.174 28.657 28.738 0.154 0.000 0.907 591 Q HN 0.540 8.810 8.270 -0.000 0.000 0.439 592 Y N 0.023 120.137 120.300 -0.310 0.000 2.165 592 Y HA -0.248 4.306 4.550 0.006 0.000 0.286 592 Y C 2.698 178.473 175.900 -0.209 0.000 1.155 592 Y CA 1.254 59.075 58.100 -0.464 0.000 1.164 592 Y CB -1.109 37.165 38.460 -0.310 0.000 0.978 592 Y HN 0.117 8.397 8.280 -0.000 0.000 0.513 593 S N -0.245 115.486 115.700 0.052 0.000 2.356 593 S HA -0.123 4.350 4.470 0.006 0.000 0.223 593 S C 2.493 177.050 174.600 -0.072 0.000 1.032 593 S CA 1.345 59.520 58.200 -0.043 0.000 1.005 593 S CB -0.913 62.264 63.200 -0.039 0.000 0.867 593 S HN 0.546 8.856 8.310 -0.000 0.000 0.449 594 G N 0.381 109.182 108.800 0.002 0.000 2.469 594 G HA2 -0.240 3.724 3.960 0.006 0.000 0.220 594 G HA3 -0.240 3.724 3.960 0.006 0.000 0.220 594 G C 1.275 176.211 174.900 0.059 0.000 1.136 594 G CA 1.104 46.225 45.100 0.034 0.000 0.759 594 G HN 0.570 8.860 8.290 -0.000 0.000 0.562 595 F N 1.025 120.936 119.950 -0.065 0.000 2.084 595 F HA -0.012 4.518 4.527 0.005 0.000 0.296 595 F C 2.733 178.430 175.800 -0.172 0.000 1.111 595 F CA 1.381 59.348 58.000 -0.054 0.000 1.224 595 F CB -0.483 38.497 39.000 -0.033 0.000 0.991 595 F HN 0.000 8.300 8.300 -0.000 0.000 0.471 596 V N 1.137 120.856 119.914 -0.325 0.000 2.295 596 V HA -0.305 3.818 4.120 0.006 0.000 0.246 596 V C 2.515 178.168 176.094 -0.733 0.000 1.049 596 V CA 2.322 64.227 62.300 -0.658 0.000 1.024 596 V CB -0.715 30.752 31.823 -0.595 0.000 0.648 596 V HN 0.274 8.464 8.190 -0.000 0.000 0.447 597 R N -0.339 119.883 120.500 -0.464 0.000 2.105 597 R HA -0.156 4.187 4.340 0.006 0.000 0.239 597 R C 2.342 178.581 176.300 -0.102 0.000 1.135 597 R CA 1.944 57.904 56.100 -0.234 0.000 0.967 597 R CB -0.666 29.528 30.300 -0.176 0.000 0.861 597 R HN 0.527 8.797 8.270 -0.000 0.000 0.442 598 T N 1.317 115.774 114.554 -0.161 0.000 2.777 598 T HA -0.033 4.320 4.350 0.006 0.000 0.266 598 T C 1.858 176.479 174.700 -0.131 0.000 1.040 598 T CA 0.890 62.923 62.100 -0.111 0.000 1.141 598 T CB -0.071 68.740 68.868 -0.095 0.000 0.868 598 T HN 0.124 8.364 8.240 -0.000 0.000 0.444 599 L N -0.099 120.954 121.223 -0.284 0.000 2.046 599 L HA -0.044 4.300 4.340 0.006 0.000 0.208 599 L C 2.428 179.367 176.870 0.115 0.000 1.077 599 L CA 1.187 55.911 54.840 -0.193 0.000 0.747 599 L CB -0.654 41.168 42.059 -0.395 0.000 0.896 599 L HN 0.182 8.412 8.230 -0.000 0.000 0.432 600 F N 0.538 120.502 119.950 0.025 0.000 2.161 600 F HA -0.255 4.275 4.527 0.005 0.000 0.300 600 F C 2.771 178.603 175.800 0.053 0.000 1.089 600 F CA 1.425 59.545 58.000 0.200 0.000 1.282 600 F CB -0.952 38.205 39.000 0.262 0.000 1.010 600 F HN 0.143 8.443 8.300 -0.000 0.000 0.485 601 Q N 0.410 120.303 119.800 0.154 0.000 2.119 601 Q HA -0.160 4.183 4.340 0.006 0.000 0.201 601 Q C 2.069 178.098 176.000 0.049 0.000 0.972 601 Q CA 1.434 57.255 55.803 0.030 0.000 0.847 601 Q CB -0.324 28.420 28.738 0.009 0.000 0.903 601 Q HN 0.478 8.748 8.270 -0.000 0.000 0.433 602 Q N -0.620 119.220 119.800 0.067 0.000 2.135 602 Q HA -0.183 4.161 4.340 0.006 0.000 0.204 602 Q C 2.040 178.108 176.000 0.113 0.000 0.981 602 Q CA 1.636 57.477 55.803 0.063 0.000 0.856 602 Q CB -0.250 28.512 28.738 0.040 0.000 0.902 602 Q HN 0.478 8.748 8.270 -0.000 0.000 0.425 603 M N 0.487 120.203 119.600 0.194 0.000 2.175 603 M HA -0.166 4.317 4.480 0.006 0.000 0.264 603 M C 1.871 178.341 176.300 0.285 0.000 1.063 603 M CA 1.485 56.942 55.300 0.263 0.000 1.119 603 M CB 0.102 32.933 32.600 0.385 0.000 1.377 603 M HN 0.032 8.322 8.290 -0.000 0.000 0.415 604 R N 0.109 120.737 120.500 0.215 0.000 2.096 604 R HA -0.125 4.218 4.340 0.006 0.000 0.235 604 R C 1.418 177.767 176.300 0.081 0.000 1.127 604 R CA 1.511 57.677 56.100 0.111 0.000 0.968 604 R CB -0.408 29.833 30.300 -0.098 0.000 0.861 604 R HN 0.454 8.724 8.270 -0.000 0.000 0.440 605 D N -0.113 120.323 120.400 0.061 0.000 2.234 605 D HA -0.015 4.628 4.640 0.006 0.000 0.205 605 D C 0.172 176.503 176.300 0.051 0.000 0.962 605 D CA 0.743 54.767 54.000 0.040 0.000 0.855 605 D CB 0.341 41.154 40.800 0.022 0.000 0.951 605 D HN -0.060 8.310 8.370 -0.000 0.000 0.500 606 V N 2.769 122.728 119.914 0.074 0.000 2.277 606 V HA 0.194 4.318 4.120 0.006 0.000 0.269 606 V C 0.408 176.556 176.094 0.090 0.000 1.036 606 V CA -0.556 61.785 62.300 0.069 0.000 0.821 606 V CB 0.992 32.854 31.823 0.064 0.000 1.052 606 V HN -0.017 8.173 8.190 -0.000 0.000 0.462 607 L N 3.604 124.873 121.223 0.077 0.000 2.467 607 L HA 0.467 4.810 4.340 0.006 0.000 0.270 607 L C 1.496 178.419 176.870 0.087 0.000 1.205 607 L CA 0.787 55.679 54.840 0.088 0.000 0.828 607 L CB 0.307 42.404 42.059 0.062 0.000 1.101 607 L HN 0.848 9.078 8.230 -0.000 0.000 0.479 608 G N 0.697 109.557 108.800 0.100 0.000 2.143 608 G HA2 -0.285 3.678 3.960 0.006 0.000 0.248 608 G HA3 -0.285 3.678 3.960 0.006 0.000 0.248 608 G C 0.515 175.481 174.900 0.110 0.000 0.991 608 G CA 0.501 45.656 45.100 0.092 0.000 0.689 608 G HN 0.833 9.123 8.290 -0.000 0.000 0.522 609 T N -2.544 112.095 114.554 0.142 0.000 3.296 609 T HA 0.542 4.895 4.350 0.006 0.000 0.285 609 T C 0.443 175.236 174.700 0.155 0.000 1.014 609 T CA -0.304 61.874 62.100 0.129 0.000 0.920 609 T CB -0.013 68.917 68.868 0.104 0.000 1.143 609 T HN 0.657 8.897 8.240 -0.000 0.000 0.522 610 F N 3.004 122.978 119.950 0.039 0.000 2.578 610 F HA 0.407 4.937 4.527 0.005 0.000 0.376 610 F C 0.144 175.922 175.800 -0.036 0.000 1.085 610 F CA -0.026 57.971 58.000 -0.006 0.000 1.260 610 F CB 0.549 39.545 39.000 -0.006 0.000 1.095 610 F HN 0.169 8.469 8.300 -0.000 0.000 0.573 611 D N 4.881 124.995 120.400 -0.476 0.000 2.402 611 D HA 0.137 4.781 4.640 0.006 0.000 0.252 611 D C 0.568 176.551 176.300 -0.528 0.000 1.294 611 D CA -0.214 53.601 54.000 -0.309 0.000 0.948 611 D CB 1.609 42.302 40.800 -0.179 0.000 1.202 611 D HN 0.622 8.992 8.370 -0.000 0.000 0.561 612 T N 1.720 116.051 114.554 -0.372 0.000 2.684 612 T HA -0.100 4.254 4.350 0.006 0.000 0.267 612 T C 2.000 176.418 174.700 -0.470 0.000 1.036 612 T CA 1.127 62.978 62.100 -0.415 0.000 1.148 612 T CB 0.175 68.861 68.868 -0.303 0.000 0.863 612 T HN 0.308 8.548 8.240 -0.000 0.000 0.436 613 V N 1.270 120.944 119.914 -0.400 0.000 2.427 613 V HA -0.153 3.970 4.120 0.006 0.000 0.248 613 V C 2.611 178.568 176.094 -0.228 0.000 1.051 613 V CA 1.632 63.725 62.300 -0.346 0.000 1.048 613 V CB -0.668 30.883 31.823 -0.453 0.000 0.666 613 V HN 0.349 8.539 8.190 -0.000 0.000 0.456 614 Q N 0.219 119.888 119.800 -0.218 0.000 2.079 614 Q HA -0.125 4.219 4.340 0.006 0.000 0.200 614 Q C 1.980 177.940 176.000 -0.066 0.000 0.974 614 Q CA 1.851 57.568 55.803 -0.143 0.000 0.840 614 Q CB -0.370 28.310 28.738 -0.097 0.000 0.898 614 Q HN 0.633 8.903 8.270 -0.000 0.000 0.430 615 I N -0.158 120.283 120.570 -0.215 0.000 2.127 615 I HA -0.306 3.867 4.170 0.006 0.000 0.241 615 I C 2.073 178.181 176.117 -0.016 0.000 1.075 615 I CA 1.231 62.358 61.300 -0.287 0.000 1.334 615 I CB -0.299 37.228 38.000 -0.787 0.000 1.040 615 I HN 0.267 8.477 8.210 -0.000 0.000 0.405 616 I N 0.426 120.968 120.570 -0.046 0.000 2.163 616 I HA -0.333 3.841 4.170 0.006 0.000 0.243 616 I C 2.677 178.929 176.117 0.225 0.000 1.085 616 I CA 1.419 62.794 61.300 0.126 0.000 1.347 616 I CB -0.504 37.512 38.000 0.026 0.000 1.044 616 I HN 0.256 8.466 8.210 -0.000 0.000 0.408 617 K N 1.417 121.776 120.400 -0.069 0.000 2.026 617 K HA -0.154 4.170 4.320 0.006 0.000 0.208 617 K C 2.054 178.665 176.600 0.018 0.000 1.048 617 K CA 1.462 57.477 56.287 -0.452 0.000 0.929 617 K CB -0.029 31.794 32.500 -1.127 0.000 0.713 617 K HN 0.323 8.573 8.250 -0.000 0.000 0.439 618 L N 1.071 122.347 121.223 0.089 0.000 2.418 618 L HA -0.075 4.268 4.340 0.006 0.000 0.218 618 L C 2.335 179.322 176.870 0.195 0.000 1.125 618 L CA -0.177 54.759 54.840 0.159 0.000 0.835 618 L CB -0.240 41.806 42.059 -0.021 0.000 0.953 618 L HN 0.175 8.405 8.230 -0.000 0.000 0.454 619 L N 1.682 123.051 121.223 0.244 0.000 2.012 619 L HA -0.104 4.240 4.340 0.006 0.000 0.210 619 L C -0.484 176.140 176.870 -0.410 0.000 1.073 619 L CA 2.259 57.193 54.840 0.155 0.000 0.748 619 L CB -1.480 40.663 42.059 0.139 0.000 0.891 619 L HN 0.075 8.305 8.230 -0.000 0.000 0.431 620 P HA -0.140 4.280 4.420 -0.000 0.000 0.220 620 P C 1.364 178.167 177.300 -0.827 0.000 1.148 620 P CA 1.414 63.741 63.100 -1.289 0.000 0.803 620 P CB -0.154 30.268 31.700 -2.132 0.000 0.782 621 F N -0.438 119.243 119.950 -0.450 0.000 2.502 621 F HA 0.033 4.563 4.527 0.006 0.000 0.298 621 F C 2.244 177.901 175.800 -0.239 0.000 1.111 621 F CA 0.722 58.609 58.000 -0.188 0.000 1.445 621 F CB -1.031 37.887 39.000 -0.136 0.000 1.081 621 F HN -0.101 8.199 8.300 -0.000 0.000 0.558 622 A N -0.185 122.504 122.820 -0.219 0.000 2.206 622 A HA 0.241 4.565 4.320 0.006 0.000 0.211 622 A C 2.252 179.647 177.584 -0.315 0.000 1.158 622 A CA 0.961 52.751 52.037 -0.412 0.000 0.761 622 A CB -0.846 17.704 19.000 -0.751 0.000 0.801 622 A HN 0.245 8.395 8.150 -0.000 0.000 0.473 623 A N -0.253 122.461 122.820 -0.177 0.000 2.067 623 A HA 0.504 4.827 4.320 0.006 0.000 0.217 623 A C 1.457 179.062 177.584 0.035 0.000 1.156 623 A CA 0.845 52.879 52.037 -0.006 0.000 0.683 623 A CB -0.579 18.454 19.000 0.054 0.000 0.808 623 A HN 0.861 9.011 8.150 -0.000 0.000 0.455 624 A N 0.352 123.176 122.820 0.007 0.000 2.332 624 A HA 0.551 4.874 4.320 0.006 0.000 0.258 624 A C -2.534 175.060 177.584 0.017 0.000 1.087 624 A CA -1.511 50.540 52.037 0.023 0.000 0.802 624 A CB -0.328 18.687 19.000 0.025 0.000 1.042 624 A HN 0.161 8.311 8.150 -0.000 0.000 0.489 625 P HA 0.139 4.559 4.420 -0.000 0.000 0.262 625 P C -2.385 174.924 177.300 0.016 0.000 1.199 625 P CA -0.356 62.760 63.100 0.028 0.000 0.763 625 P CB 0.007 31.722 31.700 0.026 0.000 0.790 626 P HA 0.225 4.645 4.420 -0.000 0.000 0.278 626 P C -0.730 176.583 177.300 0.022 0.000 1.238 626 P CA -0.138 62.968 63.100 0.010 0.000 0.794 626 P CB 1.158 32.861 31.700 0.005 0.000 0.955 627 K N 2.006 122.423 120.400 0.029 0.000 2.426 627 K HA 0.260 4.584 4.320 0.006 0.000 0.254 627 K C 0.249 176.886 176.600 0.062 0.000 0.936 627 K CA -0.742 55.568 56.287 0.038 0.000 0.801 627 K CB 1.832 34.351 32.500 0.031 0.000 1.139 627 K HN 0.415 8.665 8.250 -0.000 0.000 0.424 628 Q N 1.267 121.103 119.800 0.060 0.000 2.421 628 Q HA 0.141 4.484 4.340 0.006 0.000 0.255 628 Q C 0.101 176.156 176.000 0.091 0.000 1.013 628 Q CA 0.353 56.202 55.803 0.078 0.000 0.895 628 Q CB 1.318 30.091 28.738 0.058 0.000 1.271 628 Q HN 0.848 9.118 8.270 -0.000 0.000 0.460 629 S N -1.209 114.563 115.700 0.120 0.000 2.643 629 S HA 0.699 5.172 4.470 0.006 0.000 0.270 629 S C 0.309 174.967 174.600 0.097 0.000 1.166 629 S CA -0.275 57.988 58.200 0.105 0.000 0.815 629 S CB 1.393 64.674 63.200 0.135 0.000 1.139 629 S HN 0.689 8.999 8.310 -0.000 0.000 0.472 630 R N 0.482 121.012 120.500 0.049 0.000 2.087 630 R HA 0.464 4.808 4.340 0.006 0.000 0.216 630 R C 1.421 177.729 176.300 0.012 0.000 1.114 630 R CA 1.354 57.475 56.100 0.036 0.000 1.002 630 R CB -1.469 28.836 30.300 0.008 0.000 0.903 630 R HN 0.928 9.198 8.270 -0.000 0.000 0.445 631 M N 2.358 121.906 119.600 -0.086 0.000 2.243 631 M HA -0.037 4.447 4.480 0.006 0.000 0.446 631 M C -0.930 175.218 176.300 -0.253 0.000 1.421 631 M CA 0.517 55.649 55.300 -0.280 0.000 0.772 631 M CB -0.287 31.970 32.600 -0.571 0.000 2.004 631 M HN 0.269 8.559 8.290 -0.000 0.000 0.525 632 Q N 2.950 122.615 119.800 -0.224 0.000 2.454 632 Q HA 0.462 4.806 4.340 0.006 0.000 0.247 632 Q C -1.112 174.468 176.000 -0.700 0.000 1.028 632 Q CA 0.520 56.203 55.803 -0.201 0.000 0.910 632 Q CB 0.593 29.287 28.738 -0.074 0.000 1.276 632 Q HN 0.668 8.938 8.270 -0.000 0.000 0.489 633 F N -0.840 118.649 119.950 -0.768 0.000 2.540 633 F HA 0.220 4.751 4.527 0.005 0.000 0.317 633 F C 0.962 176.554 175.800 -0.347 0.000 1.104 633 F CA -0.414 57.186 58.000 -0.667 0.000 0.913 633 F CB 2.004 40.365 39.000 -1.066 0.000 1.170 633 F HN 0.382 8.682 8.300 -0.000 0.000 0.450 634 S N 0.033 115.687 115.700 -0.077 0.000 2.497 634 S HA 0.085 4.558 4.470 0.006 0.000 0.218 634 S C 0.153 174.717 174.600 -0.059 0.000 1.023 634 S CA 0.205 58.377 58.200 -0.045 0.000 0.913 634 S CB 0.225 63.395 63.200 -0.051 0.000 0.800 634 S HN 0.595 8.905 8.310 -0.000 0.000 0.505 635 S N 0.755 116.407 115.700 -0.079 0.000 2.546 635 S HA 0.764 5.237 4.470 0.006 0.000 0.274 635 S C -1.322 173.112 174.600 -0.276 0.000 1.121 635 S CA -0.934 57.191 58.200 -0.125 0.000 0.887 635 S CB 1.335 64.504 63.200 -0.052 0.000 1.094 635 S HN 0.167 8.477 8.310 -0.000 0.000 0.474 636 L N 1.788 122.748 121.223 -0.437 0.000 2.386 636 L HA 0.617 4.960 4.340 0.006 0.000 0.271 636 L C -0.341 176.391 176.870 -0.231 0.000 0.993 636 L CA -0.705 53.629 54.840 -0.844 0.000 0.819 636 L CB 2.530 43.565 42.059 -1.706 0.000 1.294 636 L HN 0.702 8.932 8.230 -0.000 0.000 0.414 637 T N 2.285 116.890 114.554 0.085 0.000 2.829 637 T HA 0.573 4.927 4.350 0.006 0.000 0.282 637 T C -0.290 174.606 174.700 0.326 0.000 0.990 637 T CA -0.487 61.754 62.100 0.234 0.000 1.028 637 T CB 1.719 70.724 68.868 0.228 0.000 0.951 637 T HN 0.409 8.649 8.240 -0.000 0.000 0.460 638 V N 1.217 121.240 119.914 0.182 0.000 2.680 638 V HA 0.650 4.773 4.120 0.006 0.000 0.309 638 V C -0.487 175.609 176.094 0.003 0.000 1.052 638 V CA -1.247 61.073 62.300 0.034 0.000 0.908 638 V CB 1.938 33.664 31.823 -0.162 0.000 1.001 638 V HN 0.657 8.847 8.190 -0.000 0.000 0.431 639 N N 2.519 121.199 118.700 -0.034 0.000 2.415 639 N HA 0.651 5.395 4.740 0.006 0.000 0.246 639 N C -0.776 174.711 175.510 -0.038 0.000 1.078 639 N CA 0.055 53.092 53.050 -0.021 0.000 0.942 639 N CB 1.386 39.862 38.487 -0.017 0.000 1.140 639 N HN 0.709 9.089 8.380 -0.000 0.000 0.501 640 V N 2.023 121.926 119.914 -0.017 0.000 3.048 640 V HA 0.424 4.547 4.120 0.006 0.000 0.303 640 V C 0.240 176.335 176.094 0.002 0.000 1.214 640 V CA -1.023 61.269 62.300 -0.014 0.000 0.984 640 V CB 2.270 34.086 31.823 -0.011 0.000 1.054 640 V HN 0.688 8.878 8.190 -0.000 0.000 0.430 641 R N 2.135 122.637 120.500 0.003 0.000 3.422 641 R HA -0.200 4.143 4.340 0.006 0.000 0.267 641 R C 1.141 177.445 176.300 0.006 0.000 1.074 641 R CA 0.749 56.853 56.100 0.007 0.000 0.718 641 R CB -1.746 28.561 30.300 0.013 0.000 1.157 641 R HN 1.956 10.226 8.270 -0.000 0.000 0.440 642 G N -1.228 107.574 108.800 0.003 0.000 2.175 642 G HA2 -0.398 3.565 3.960 0.006 0.000 0.265 642 G HA3 -0.398 3.565 3.960 0.006 0.000 0.265 642 G C 0.123 175.026 174.900 0.005 0.000 0.979 642 G CA 0.854 45.956 45.100 0.003 0.000 0.663 642 G HN 0.649 8.939 8.290 -0.000 0.000 0.533 643 S N -2.039 113.666 115.700 0.008 0.000 3.144 643 S HA 0.823 5.296 4.470 0.006 0.000 0.325 643 S C 0.062 174.672 174.600 0.016 0.000 1.161 643 S CA 0.467 58.675 58.200 0.012 0.000 0.920 643 S CB 1.312 64.521 63.200 0.015 0.000 1.340 643 S HN 1.568 9.878 8.310 -0.000 0.000 0.681 644 G N 1.218 110.033 108.800 0.025 0.000 2.544 644 G HA2 0.647 4.611 3.960 0.006 0.000 0.313 644 G HA3 0.647 4.611 3.960 0.006 0.000 0.313 644 G C -1.236 173.690 174.900 0.043 0.000 1.316 644 G CA -0.472 44.650 45.100 0.037 0.000 0.944 644 G HN 0.508 8.798 8.290 -0.000 0.000 0.489 645 M N 1.494 121.126 119.600 0.052 0.000 2.598 645 M HA 0.539 5.022 4.480 0.006 0.000 0.317 645 M C -0.176 176.174 176.300 0.083 0.000 1.179 645 M CA -0.751 54.585 55.300 0.061 0.000 0.936 645 M CB 2.976 35.612 32.600 0.060 0.000 1.713 645 M HN 0.277 8.567 8.290 -0.000 0.000 0.460 646 R N 1.838 122.383 120.500 0.076 0.000 2.437 646 R HA 0.632 4.975 4.340 0.006 0.000 0.310 646 R C -1.209 175.137 176.300 0.077 0.000 0.955 646 R CA -0.691 55.449 56.100 0.067 0.000 0.851 646 R CB 1.718 32.040 30.300 0.037 0.000 1.161 646 R HN 0.643 8.913 8.270 -0.000 0.000 0.446 647 I N 3.911 124.530 120.570 0.081 0.000 2.395 647 I HA 0.176 4.349 4.170 0.006 0.000 0.289 647 I C 0.216 176.313 176.117 -0.033 0.000 1.023 647 I CA -0.394 60.950 61.300 0.074 0.000 1.350 647 I CB 0.930 39.026 38.000 0.160 0.000 1.409 647 I HN 0.316 8.526 8.210 -0.000 0.000 0.507 648 L N 6.597 127.813 121.223 -0.013 0.000 2.326 648 L HA 0.204 4.547 4.340 0.006 0.000 0.278 648 L C 1.155 177.984 176.870 -0.068 0.000 1.092 648 L CA -0.363 54.456 54.840 -0.035 0.000 0.810 648 L CB 1.626 43.686 42.059 0.002 0.000 1.153 648 L HN 0.494 8.724 8.230 -0.000 0.000 0.439 649 V N 2.236 122.107 119.914 -0.071 0.000 2.343 649 V HA -0.155 3.968 4.120 0.006 0.000 0.247 649 V C 1.235 177.311 176.094 -0.031 0.000 1.051 649 V CA 1.478 63.745 62.300 -0.055 0.000 1.036 649 V CB -0.501 31.341 31.823 0.032 0.000 0.654 649 V HN 0.697 8.887 8.190 -0.000 0.000 0.451 650 R N -0.438 120.056 120.500 -0.010 0.000 2.265 650 R HA 0.507 4.851 4.340 0.006 0.000 0.328 650 R C 0.382 176.690 176.300 0.013 0.000 0.969 650 R CA 0.705 56.806 56.100 0.002 0.000 0.832 650 R CB 0.705 31.011 30.300 0.010 0.000 1.139 650 R HN 0.429 8.699 8.270 -0.000 0.000 0.457 651 G N 2.987 111.804 108.800 0.027 0.000 2.584 651 G HA2 -0.276 3.687 3.960 0.006 0.000 0.229 651 G HA3 -0.276 3.687 3.960 0.006 0.000 0.229 651 G C -1.028 173.933 174.900 0.100 0.000 1.320 651 G CA -0.560 44.580 45.100 0.066 0.000 0.891 651 G HN 0.623 8.913 8.290 -0.000 0.000 0.573 652 N N 0.473 119.241 118.700 0.113 0.000 2.482 652 N HA 0.791 5.534 4.740 0.006 0.000 0.279 652 N C 0.270 175.845 175.510 0.108 0.000 1.182 652 N CA 0.339 53.479 53.050 0.149 0.000 0.969 652 N CB 1.593 40.149 38.487 0.114 0.000 1.201 652 N HN 1.349 9.729 8.380 -0.000 0.000 0.523 653 S N -1.307 114.471 115.700 0.130 0.000 2.625 653 S HA 0.497 4.970 4.470 0.006 0.000 0.271 653 S C -2.443 172.213 174.600 0.093 0.000 1.161 653 S CA -1.007 57.251 58.200 0.096 0.000 0.820 653 S CB 2.096 65.357 63.200 0.102 0.000 1.137 653 S HN 0.094 8.404 8.310 -0.000 0.000 0.470 654 P HA -0.095 4.325 4.420 -0.000 0.000 0.216 654 P C 1.553 178.900 177.300 0.079 0.000 1.153 654 P CA 1.029 64.164 63.100 0.058 0.000 0.858 654 P CB -0.119 31.610 31.700 0.049 0.000 0.789 655 V N -2.120 117.865 119.914 0.119 0.000 2.407 655 V HA -0.141 3.982 4.120 0.006 0.000 0.248 655 V C 1.151 177.371 176.094 0.211 0.000 1.055 655 V CA 1.382 63.782 62.300 0.167 0.000 1.049 655 V CB -0.703 31.243 31.823 0.205 0.000 0.662 655 V HN 0.053 8.243 8.190 -0.000 0.000 0.455 656 F N 0.979 120.944 119.950 0.026 0.000 2.671 656 F HA 0.521 5.051 4.527 0.005 0.000 0.332 656 F C -0.665 175.123 175.800 -0.019 0.000 1.189 656 F CA -0.680 57.295 58.000 -0.043 0.000 0.988 656 F CB 0.954 39.896 39.000 -0.097 0.000 1.258 656 F HN -0.086 8.214 8.300 -0.000 0.000 0.471 657 N N 5.763 124.335 118.700 -0.214 0.000 2.540 657 N HA 0.156 4.900 4.740 0.006 0.000 0.275 657 N C -2.161 173.249 175.510 -0.167 0.000 1.053 657 N CA -0.234 52.770 53.050 -0.077 0.000 0.876 657 N CB 1.353 39.810 38.487 -0.050 0.000 1.284 657 N HN 0.659 9.039 8.380 -0.000 0.000 0.518 658 Y N 3.551 123.747 120.300 -0.173 0.000 2.331 658 Y HA 0.425 4.978 4.550 0.005 0.000 0.338 658 Y C -0.560 175.293 175.900 -0.077 0.000 0.992 658 Y CA -0.870 57.132 58.100 -0.162 0.000 1.121 658 Y CB 0.787 39.209 38.460 -0.064 0.000 1.184 658 Y HN 0.394 8.674 8.280 -0.000 0.000 0.469 659 N N 6.212 124.473 118.700 -0.731 0.000 2.457 659 N HA 0.112 4.856 4.740 0.006 0.000 0.250 659 N C 0.558 175.471 175.510 -0.995 0.000 0.982 659 N CA -0.092 52.578 53.050 -0.634 0.000 0.941 659 N CB 1.332 39.616 38.487 -0.337 0.000 1.120 659 N HN 0.958 9.338 8.380 -0.000 0.000 0.505 660 K N 2.927 122.876 120.400 -0.751 0.000 2.147 660 K HA -0.061 4.263 4.320 0.006 0.000 0.205 660 K C 1.484 177.936 176.600 -0.246 0.000 1.049 660 K CA 1.358 57.364 56.287 -0.468 0.000 0.936 660 K CB 0.162 32.601 32.500 -0.101 0.000 0.722 660 K HN 0.589 8.839 8.250 -0.000 0.000 0.446 661 A N 0.247 122.942 122.820 -0.208 0.000 1.874 661 A HA -0.099 4.224 4.320 0.006 0.000 0.214 661 A C 2.115 179.627 177.584 -0.120 0.000 1.189 661 A CA 1.846 53.809 52.037 -0.123 0.000 0.615 661 A CB -0.825 18.119 19.000 -0.094 0.000 0.830 661 A HN 0.532 8.682 8.150 -0.000 0.000 0.443 662 T N -4.408 110.051 114.554 -0.160 0.000 3.088 662 T HA 0.064 4.417 4.350 0.006 0.000 0.259 662 T C 0.522 175.155 174.700 -0.112 0.000 1.122 662 T CA 0.846 62.873 62.100 -0.121 0.000 1.095 662 T CB -0.104 68.692 68.868 -0.121 0.000 0.930 662 T HN 0.268 8.508 8.240 -0.000 0.000 0.508 663 K N 0.926 121.228 120.400 -0.163 0.000 3.125 663 K HA -0.113 4.210 4.320 0.006 0.000 0.268 663 K C -0.385 176.214 176.600 -0.002 0.000 1.078 663 K CA 0.594 56.852 56.287 -0.047 0.000 0.775 663 K CB -1.850 30.658 32.500 0.013 0.000 1.253 663 K HN 0.633 8.883 8.250 -0.000 0.000 0.486 664 R N -0.163 120.284 120.500 -0.089 0.000 2.750 664 R HA 0.499 4.842 4.340 0.006 0.000 0.281 664 R C -0.514 175.772 176.300 -0.024 0.000 0.972 664 R CA -1.220 54.858 56.100 -0.036 0.000 0.912 664 R CB 1.436 31.697 30.300 -0.065 0.000 1.187 664 R HN 0.015 8.285 8.270 -0.000 0.000 0.464 665 L N 1.412 122.617 121.223 -0.029 0.000 2.272 665 L HA 0.390 4.734 4.340 0.006 0.000 0.289 665 L C -0.834 175.934 176.870 -0.171 0.000 1.032 665 L CA 0.329 55.075 54.840 -0.157 0.000 0.810 665 L CB 1.800 43.712 42.059 -0.245 0.000 1.205 665 L HN 0.546 8.776 8.230 -0.000 0.000 0.422 666 T N 4.636 119.066 114.554 -0.208 0.000 2.770 666 T HA 0.547 4.900 4.350 0.006 0.000 0.283 666 T C -0.604 174.000 174.700 -0.160 0.000 0.988 666 T CA -0.406 61.611 62.100 -0.138 0.000 0.957 666 T CB 1.352 70.164 68.868 -0.094 0.000 0.930 666 T HN 0.305 8.545 8.240 -0.000 0.000 0.443 667 V N 5.793 125.660 119.914 -0.078 0.000 2.350 667 V HA 0.340 4.463 4.120 0.006 0.000 0.285 667 V C 0.576 176.695 176.094 0.042 0.000 1.014 667 V CA -0.703 61.594 62.300 -0.005 0.000 0.831 667 V CB 0.660 32.535 31.823 0.087 0.000 1.000 667 V HN 0.981 9.171 8.190 -0.000 0.000 0.433 668 L N 5.187 126.441 121.223 0.050 0.000 3.717 668 L HA -0.253 4.091 4.340 0.006 0.000 0.414 668 L C 1.359 178.246 176.870 0.028 0.000 1.228 668 L CA 0.718 55.587 54.840 0.049 0.000 0.918 668 L CB -1.407 40.689 42.059 0.063 0.000 1.865 668 L HN 1.108 9.338 8.230 -0.000 0.000 0.922 669 G N -2.658 106.149 108.800 0.013 0.000 2.159 669 G HA2 -0.162 3.801 3.960 0.006 0.000 0.256 669 G HA3 -0.162 3.801 3.960 0.006 0.000 0.256 669 G C 0.052 174.954 174.900 0.002 0.000 0.977 669 G CA 0.821 45.924 45.100 0.004 0.000 0.652 669 G HN 0.951 9.241 8.290 -0.000 0.000 0.531 670 K N 0.085 120.489 120.400 0.006 0.000 2.318 670 K HA 0.726 5.049 4.320 0.006 0.000 0.249 670 K C -0.403 176.197 176.600 -0.000 0.000 0.942 670 K CA -0.085 56.207 56.287 0.009 0.000 0.808 670 K CB 1.354 33.870 32.500 0.026 0.000 1.189 670 K HN 0.526 8.776 8.250 -0.000 0.000 0.428 671 D N 1.048 121.448 120.400 -0.000 0.000 2.317 671 D HA 0.415 5.058 4.640 0.006 0.000 0.252 671 D C 0.654 176.957 176.300 0.005 0.000 1.174 671 D CA 0.370 54.364 54.000 -0.010 0.000 0.866 671 D CB 1.317 42.112 40.800 -0.008 0.000 1.127 671 D HN 0.567 8.937 8.370 -0.000 0.000 0.467 672 A N 3.392 126.209 122.820 -0.006 0.000 2.460 672 A HA 0.632 4.955 4.320 0.006 0.000 0.258 672 A C 1.075 178.671 177.584 0.020 0.000 1.300 672 A CA 0.352 52.404 52.037 0.025 0.000 0.913 672 A CB -0.785 18.233 19.000 0.030 0.000 1.031 672 A HN 1.046 9.196 8.150 -0.000 0.000 0.512 673 G N -1.191 107.612 108.800 0.004 0.000 2.685 673 G HA2 0.363 4.327 3.960 0.006 0.000 0.387 673 G HA3 0.363 4.327 3.960 0.006 0.000 0.387 673 G C 0.173 175.071 174.900 -0.004 0.000 1.324 673 G CA -0.418 44.686 45.100 0.005 0.000 0.878 673 G HN 1.676 9.966 8.290 -0.000 0.000 0.527 674 A N -0.853 121.966 122.820 -0.001 0.000 2.498 674 A HA 0.645 4.968 4.320 0.006 0.000 0.239 674 A C 0.056 177.637 177.584 -0.004 0.000 1.068 674 A CA 1.198 53.234 52.037 -0.000 0.000 0.766 674 A CB 0.989 19.988 19.000 -0.001 0.000 1.003 674 A HN 2.358 10.508 8.150 -0.000 0.000 0.497 675 L N 1.686 122.924 121.223 0.024 0.000 2.493 675 L HA 0.763 5.106 4.340 0.006 0.000 0.265 675 L C -0.318 176.590 176.870 0.063 0.000 0.954 675 L CA 0.280 55.116 54.840 -0.007 0.000 0.844 675 L CB 2.017 44.061 42.059 -0.026 0.000 1.302 675 L HN 0.837 9.067 8.230 -0.000 0.000 0.405 676 T N 1.980 116.500 114.554 -0.058 0.000 2.864 676 T HA 0.621 4.975 4.350 0.006 0.000 0.299 676 T C -1.125 173.504 174.700 -0.119 0.000 1.166 676 T CA -0.437 61.655 62.100 -0.013 0.000 1.007 676 T CB 1.288 70.161 68.868 0.008 0.000 1.219 676 T HN 0.674 8.914 8.240 -0.000 0.000 0.506 677 E N 2.178 122.350 120.200 -0.047 0.000 2.373 677 E HA 0.221 4.574 4.350 0.006 0.000 0.267 677 E C -0.008 176.589 176.600 -0.006 0.000 1.032 677 E CA -0.213 56.155 56.400 -0.053 0.000 0.889 677 E CB 0.479 30.187 29.700 0.013 0.000 0.984 677 E HN 0.457 8.817 8.360 -0.000 0.000 0.425 678 D N 3.179 123.612 120.400 0.055 0.000 2.399 678 D HA -0.010 4.634 4.640 0.006 0.000 0.241 678 D C -1.537 174.812 176.300 0.083 0.000 1.133 678 D CA -1.538 52.553 54.000 0.151 0.000 0.890 678 D CB 1.029 42.060 40.800 0.384 0.000 1.201 678 D HN 0.143 8.513 8.370 -0.000 0.000 0.432 679 P HA -0.092 4.328 4.420 -0.000 0.000 0.221 679 P C 0.234 177.519 177.300 -0.025 0.000 1.145 679 P CA 0.837 63.942 63.100 0.008 0.000 0.795 679 P CB 0.224 31.923 31.700 -0.003 0.000 0.775 680 D N -0.813 119.528 120.400 -0.098 0.000 2.336 680 D HA -0.024 4.619 4.640 0.006 0.000 0.229 680 D C 0.531 176.798 176.300 -0.055 0.000 1.061 680 D CA 0.374 54.264 54.000 -0.183 0.000 0.875 680 D CB -0.511 40.001 40.800 -0.480 0.000 0.904 680 D HN 0.228 8.598 8.370 -0.000 0.000 0.525 681 E N 0.715 120.966 120.200 0.085 0.000 2.529 681 E HA 0.179 4.532 4.350 0.006 0.000 0.259 681 E C 0.646 177.332 176.600 0.144 0.000 0.966 681 E CA -0.011 56.511 56.400 0.203 0.000 0.937 681 E CB 0.404 30.186 29.700 0.136 0.000 0.923 681 E HN 0.116 8.476 8.360 -0.000 0.000 0.468 682 G N 2.794 111.700 108.800 0.177 0.000 2.414 682 G HA2 0.131 4.094 3.960 0.006 0.000 0.236 682 G HA3 0.131 4.094 3.960 0.006 0.000 0.236 682 G C 0.698 175.647 174.900 0.081 0.000 1.293 682 G CA 0.290 45.461 45.100 0.120 0.000 0.869 682 G HN 0.699 8.989 8.290 -0.000 0.000 0.556 683 T N -1.405 113.187 114.554 0.063 0.000 2.959 683 T HA 0.334 4.687 4.350 0.006 0.000 0.254 683 T C 2.020 176.746 174.700 0.043 0.000 1.003 683 T CA 0.959 63.089 62.100 0.049 0.000 0.950 683 T CB 0.430 69.323 68.868 0.041 0.000 1.090 683 T HN 0.681 8.921 8.240 -0.000 0.000 0.503 684 A N 1.177 124.024 122.820 0.045 0.000 2.235 684 A HA 0.585 4.908 4.320 0.006 0.000 0.208 684 A C 2.097 179.703 177.584 0.037 0.000 1.172 684 A CA 0.607 52.667 52.037 0.039 0.000 0.786 684 A CB -1.331 17.692 19.000 0.038 0.000 0.804 684 A HN 1.391 9.541 8.150 -0.000 0.000 0.479 685 G N -1.406 107.417 108.800 0.039 0.000 2.155 685 G HA2 -0.225 3.738 3.960 0.006 0.000 0.257 685 G HA3 -0.225 3.738 3.960 0.006 0.000 0.257 685 G C 0.216 175.136 174.900 0.034 0.000 0.983 685 G CA 0.262 45.383 45.100 0.035 0.000 0.676 685 G HN 0.803 9.093 8.290 -0.000 0.000 0.528 686 V N 0.722 120.659 119.914 0.038 0.000 2.508 686 V HA 0.354 4.477 4.120 0.006 0.000 0.281 686 V C 0.547 176.666 176.094 0.042 0.000 1.041 686 V CA 0.117 62.440 62.300 0.039 0.000 1.016 686 V CB 1.335 33.183 31.823 0.042 0.000 0.984 686 V HN 0.410 8.600 8.190 -0.000 0.000 0.478 687 E N 2.766 122.990 120.200 0.039 0.000 2.092 687 E HA 0.257 4.610 4.350 0.006 0.000 0.271 687 E C 0.473 177.102 176.600 0.048 0.000 0.919 687 E CA -0.117 56.306 56.400 0.038 0.000 0.760 687 E CB 1.205 30.923 29.700 0.030 0.000 1.106 687 E HN 0.828 9.188 8.360 -0.000 0.000 0.408 688 S N 1.570 117.303 115.700 0.055 0.000 2.517 688 S HA 0.176 4.649 4.470 0.006 0.000 0.214 688 S C 1.132 175.768 174.600 0.061 0.000 0.991 688 S CA -0.147 58.092 58.200 0.066 0.000 0.906 688 S CB 0.569 63.818 63.200 0.083 0.000 0.789 688 S HN 0.355 8.665 8.310 -0.000 0.000 0.513 689 A N 0.703 123.554 122.820 0.052 0.000 2.956 689 A HA 0.758 5.082 4.320 0.006 0.000 0.294 689 A C 0.612 178.187 177.584 -0.016 0.000 0.993 689 A CA -0.356 51.701 52.037 0.034 0.000 1.032 689 A CB 0.163 19.246 19.000 0.138 0.000 1.129 689 A HN 0.270 8.420 8.150 -0.000 0.000 0.505 690 V N -0.864 119.050 119.914 0.000 0.000 2.948 690 V HA 0.285 4.408 4.120 0.006 0.000 0.234 690 V C 0.440 176.587 176.094 0.088 0.000 1.205 690 V CA 0.701 63.019 62.300 0.030 0.000 1.234 690 V CB -0.120 31.726 31.823 0.038 0.000 1.020 690 V HN 0.500 8.690 8.190 -0.000 0.000 0.491 691 L N 1.568 122.850 121.223 0.099 0.000 2.307 691 L HA 0.505 4.848 4.340 0.006 0.000 0.284 691 L C 0.291 177.279 176.870 0.197 0.000 1.023 691 L CA -0.274 54.674 54.840 0.181 0.000 0.810 691 L CB 1.367 43.513 42.059 0.143 0.000 1.231 691 L HN 0.172 8.402 8.230 -0.000 0.000 0.423 692 R N 2.338 122.990 120.500 0.253 0.000 2.370 692 R HA 0.263 4.607 4.340 0.006 0.000 0.309 692 R C 0.838 177.299 176.300 0.268 0.000 1.059 692 R CA 1.023 57.227 56.100 0.174 0.000 0.981 692 R CB 0.349 30.797 30.300 0.247 0.000 0.972 692 R HN 0.927 9.197 8.270 -0.000 0.000 0.437 693 G N 3.432 112.275 108.800 0.072 0.000 2.176 693 G HA2 -0.279 3.684 3.960 0.006 0.000 0.253 693 G HA3 -0.279 3.684 3.960 0.006 0.000 0.253 693 G C -0.358 174.219 174.900 -0.539 0.000 0.979 693 G CA 0.196 45.180 45.100 -0.193 0.000 0.641 693 G HN 0.559 8.849 8.290 -0.000 0.000 0.530 694 F N -0.700 119.254 119.950 0.007 0.000 2.613 694 F HA 0.773 5.303 4.527 0.005 0.000 0.314 694 F C 0.268 176.067 175.800 -0.000 0.000 1.075 694 F CA -1.250 56.751 58.000 0.002 0.000 0.945 694 F CB 1.673 40.675 39.000 0.003 0.000 1.310 694 F HN -0.046 8.254 8.300 -0.000 0.000 0.467 695 L N 2.890 124.222 121.223 0.183 0.000 2.346 695 L HA 0.552 4.895 4.340 0.006 0.000 0.276 695 L C -0.676 176.251 176.870 0.094 0.000 1.006 695 L CA -0.803 54.100 54.840 0.106 0.000 0.817 695 L CB 2.034 44.128 42.059 0.058 0.000 1.272 695 L HN 0.474 8.704 8.230 -0.000 0.000 0.421 696 I N 3.796 124.405 120.570 0.064 0.000 2.337 696 I HA 0.077 4.250 4.170 0.006 0.000 0.291 696 I C 0.916 177.047 176.117 0.024 0.000 1.046 696 I CA -0.119 61.202 61.300 0.034 0.000 1.324 696 I CB 1.194 39.210 38.000 0.026 0.000 1.409 696 I HN 0.644 8.854 8.210 -0.000 0.000 0.494 697 L N 6.013 127.240 121.223 0.007 0.000 2.375 697 L HA 0.330 4.673 4.340 0.006 0.000 0.215 697 L C 1.098 177.973 176.870 0.008 0.000 1.108 697 L CA 0.230 55.071 54.840 0.002 0.000 0.830 697 L CB -0.231 41.813 42.059 -0.026 0.000 0.959 697 L HN 0.899 9.129 8.230 -0.000 0.000 0.457 698 G N 0.146 108.950 108.800 0.006 0.000 2.350 698 G HA2 0.011 3.974 3.960 0.006 0.000 0.276 698 G HA3 0.011 3.974 3.960 0.006 0.000 0.276 698 G C -1.322 173.586 174.900 0.012 0.000 1.313 698 G CA -0.638 44.470 45.100 0.014 0.000 0.903 698 G HN 0.035 8.325 8.290 -0.000 0.000 0.490 699 K N 0.433 120.845 120.400 0.020 0.000 2.180 699 K HA 0.440 4.764 4.320 0.006 0.000 0.251 699 K C 0.355 176.971 176.600 0.027 0.000 1.014 699 K CA 0.006 56.305 56.287 0.021 0.000 0.913 699 K CB 1.242 33.756 32.500 0.023 0.000 1.008 699 K HN 0.703 8.953 8.250 -0.000 0.000 0.490 700 E N 0.702 120.919 120.200 0.027 0.000 2.708 700 E HA -0.210 4.143 4.350 0.006 0.000 0.260 700 E C -1.009 175.631 176.600 0.067 0.000 0.937 700 E CA 0.531 56.955 56.400 0.040 0.000 0.953 700 E CB 0.360 30.080 29.700 0.033 0.000 0.915 700 E HN 0.555 8.915 8.360 -0.000 0.000 0.487 701 D N 4.085 124.551 120.400 0.111 0.000 2.473 701 D HA 0.153 4.796 4.640 0.006 0.000 0.253 701 D C -0.148 176.258 176.300 0.176 0.000 1.233 701 D CA -0.489 53.609 54.000 0.162 0.000 0.908 701 D CB 1.096 42.055 40.800 0.264 0.000 1.170 701 D HN 0.435 8.805 8.370 -0.000 0.000 0.558 702 K N 1.782 122.236 120.400 0.089 0.000 2.439 702 K HA 0.046 4.369 4.320 0.006 0.000 0.197 702 K C 1.621 178.236 176.600 0.026 0.000 1.041 702 K CA 0.411 56.733 56.287 0.058 0.000 0.970 702 K CB 0.456 32.974 32.500 0.031 0.000 0.773 702 K HN 0.300 8.550 8.250 -0.000 0.000 0.479 703 R N -0.532 119.956 120.500 -0.020 0.000 2.189 703 R HA -0.114 4.229 4.340 0.006 0.000 0.223 703 R C 0.993 177.152 176.300 -0.236 0.000 1.092 703 R CA 1.090 57.099 56.100 -0.152 0.000 0.989 703 R CB -0.101 30.049 30.300 -0.251 0.000 0.876 703 R HN 0.251 8.521 8.270 -0.000 0.000 0.457 704 Y N 0.304 120.611 120.300 0.012 0.000 2.502 704 Y HA 0.188 4.740 4.550 0.004 0.000 0.295 704 Y C 1.352 177.258 175.900 0.011 0.000 1.193 704 Y CA 0.463 58.571 58.100 0.013 0.000 1.295 704 Y CB 0.136 38.607 38.460 0.017 0.000 1.059 704 Y HN 0.211 8.491 8.280 -0.000 0.000 0.514 705 G N 0.105 108.964 108.800 0.097 0.000 2.710 705 G HA2 -0.178 3.786 3.960 0.006 0.000 0.668 705 G HA3 -0.178 3.786 3.960 0.006 0.000 0.668 705 G C -2.755 172.181 174.900 0.060 0.000 1.320 705 G CA -1.497 43.640 45.100 0.062 0.000 0.860 705 G HN 0.010 8.300 8.290 -0.000 0.000 0.538 706 P HA 0.451 4.871 4.420 -0.000 0.000 0.268 706 P C 0.395 177.711 177.300 0.026 0.000 1.208 706 P CA 0.697 63.813 63.100 0.027 0.000 0.777 706 P CB 0.417 32.128 31.700 0.017 0.000 0.875 707 A N 2.937 125.766 122.820 0.015 0.000 2.440 707 A HA 0.323 4.646 4.320 0.006 0.000 0.251 707 A C 0.170 177.750 177.584 -0.007 0.000 1.089 707 A CA -0.254 51.785 52.037 0.004 0.000 0.779 707 A CB -0.496 18.503 19.000 -0.002 0.000 1.022 707 A HN 0.484 8.634 8.150 -0.000 0.000 0.492 708 L N 1.745 122.958 121.223 -0.018 0.000 2.454 708 L HA 0.423 4.766 4.340 0.006 0.000 0.256 708 L C 1.135 177.977 176.870 -0.047 0.000 1.136 708 L CA -0.499 54.323 54.840 -0.030 0.000 0.804 708 L CB 1.314 43.350 42.059 -0.038 0.000 1.181 708 L HN 0.894 9.124 8.230 -0.000 0.000 0.469 709 S N -0.326 115.343 115.700 -0.050 0.000 2.646 709 S HA 0.355 4.828 4.470 0.006 0.000 0.276 709 S C 0.993 175.538 174.600 -0.091 0.000 1.222 709 S CA -0.726 57.437 58.200 -0.061 0.000 1.014 709 S CB 1.199 64.369 63.200 -0.050 0.000 0.991 709 S HN 0.506 8.816 8.310 -0.000 0.000 0.533 710 I N 1.579 122.086 120.570 -0.105 0.000 2.208 710 I HA -0.211 3.963 4.170 0.006 0.000 0.245 710 I C 2.781 178.814 176.117 -0.140 0.000 1.097 710 I CA 1.351 62.563 61.300 -0.147 0.000 1.363 710 I CB -0.476 37.445 38.000 -0.131 0.000 1.051 710 I HN 0.834 9.044 8.210 -0.000 0.000 0.413 711 N N 1.109 119.749 118.700 -0.099 0.000 2.443 711 N HA -0.207 4.536 4.740 0.006 0.000 0.184 711 N C 1.504 176.982 175.510 -0.055 0.000 1.037 711 N CA 1.165 54.169 53.050 -0.076 0.000 0.896 711 N CB 0.121 38.570 38.487 -0.064 0.000 0.959 711 N HN 0.515 8.895 8.380 -0.000 0.000 0.442 712 E N 0.134 120.298 120.200 -0.060 0.000 2.318 712 E HA 0.037 4.391 4.350 0.006 0.000 0.193 712 E C 1.976 178.562 176.600 -0.023 0.000 0.998 712 E CA -0.035 56.345 56.400 -0.033 0.000 0.859 712 E CB 0.193 29.875 29.700 -0.030 0.000 0.812 712 E HN 0.372 8.732 8.360 -0.000 0.000 0.492 713 L N 1.242 122.412 121.223 -0.088 0.000 2.127 713 L HA -0.214 4.129 4.340 0.006 0.000 0.211 713 L C 2.607 179.588 176.870 0.185 0.000 1.089 713 L CA 1.374 56.146 54.840 -0.114 0.000 0.757 713 L CB -0.693 40.990 42.059 -0.626 0.000 0.899 713 L HN 0.227 8.457 8.230 -0.000 0.000 0.434 714 S N -0.505 115.289 115.700 0.157 0.000 2.400 714 S HA -0.224 4.249 4.470 0.006 0.000 0.232 714 S C 1.489 176.174 174.600 0.142 0.000 1.025 714 S CA 1.721 60.046 58.200 0.209 0.000 0.993 714 S CB -0.814 62.453 63.200 0.111 0.000 0.808 714 S HN 0.541 8.851 8.310 -0.000 0.000 0.478 715 N N 0.992 119.749 118.700 0.094 0.000 2.459 715 N HA 0.198 4.941 4.740 0.006 0.000 0.181 715 N C 0.146 175.702 175.510 0.076 0.000 1.046 715 N CA 0.122 53.212 53.050 0.066 0.000 0.904 715 N CB -0.340 38.172 38.487 0.042 0.000 0.964 715 N HN 0.404 8.784 8.380 -0.000 0.000 0.444 716 L N 0.975 122.269 121.223 0.118 0.000 2.473 716 L HA 0.187 4.530 4.340 0.006 0.000 0.268 716 L C 0.616 177.531 176.870 0.076 0.000 1.215 716 L CA -0.729 54.179 54.840 0.114 0.000 0.823 716 L CB 0.250 42.423 42.059 0.189 0.000 1.099 716 L HN 0.065 8.295 8.230 -0.000 0.000 0.483 717 A N 2.021 124.872 122.820 0.053 0.000 2.302 717 A HA 0.346 4.670 4.320 0.006 0.000 0.285 717 A C -0.257 177.328 177.584 0.001 0.000 1.105 717 A CA -0.660 51.391 52.037 0.023 0.000 0.816 717 A CB 0.326 19.340 19.000 0.024 0.000 1.067 717 A HN 0.693 8.843 8.150 -0.000 0.000 0.489 718 K N 0.424 120.808 120.400 -0.027 0.000 2.484 718 K HA 0.314 4.638 4.320 0.006 0.000 0.280 718 K C 1.192 177.775 176.600 -0.029 0.000 1.013 718 K CA 1.274 57.528 56.287 -0.055 0.000 1.029 718 K CB 0.143 32.610 32.500 -0.054 0.000 0.902 718 K HN 1.391 9.641 8.250 -0.000 0.000 0.481 719 G N 1.991 110.770 108.800 -0.036 0.000 2.225 719 G HA2 -0.325 3.638 3.960 0.006 0.000 0.254 719 G HA3 -0.325 3.638 3.960 0.006 0.000 0.254 719 G C 0.057 174.961 174.900 0.006 0.000 0.988 719 G CA 0.137 45.229 45.100 -0.013 0.000 0.625 719 G HN 0.644 8.934 8.290 -0.000 0.000 0.527 720 E N 1.088 121.298 120.200 0.018 0.000 2.338 720 E HA 0.507 4.861 4.350 0.006 0.000 0.272 720 E C 0.210 176.828 176.600 0.029 0.000 1.029 720 E CA -0.326 56.098 56.400 0.040 0.000 0.872 720 E CB 0.360 30.094 29.700 0.057 0.000 1.015 720 E HN 0.358 8.718 8.360 -0.000 0.000 0.417 721 K N 1.653 122.044 120.400 -0.014 0.000 2.123 721 K HA 0.731 5.055 4.320 0.006 0.000 0.259 721 K C -1.111 175.428 176.600 -0.103 0.000 0.960 721 K CA -0.689 55.512 56.287 -0.145 0.000 0.872 721 K CB 1.988 34.217 32.500 -0.453 0.000 1.079 721 K HN 0.505 8.755 8.250 -0.000 0.000 0.440 722 A N 2.003 124.755 122.820 -0.113 0.000 2.605 722 A HA 0.340 4.663 4.320 0.006 0.000 0.294 722 A C -1.480 176.077 177.584 -0.044 0.000 1.062 722 A CA -1.048 50.973 52.037 -0.026 0.000 0.682 722 A CB 0.965 19.978 19.000 0.022 0.000 1.278 722 A HN 0.697 8.847 8.150 -0.000 0.000 0.410 723 N N 0.201 118.904 118.700 0.005 0.000 2.530 723 N HA 0.476 5.219 4.740 0.006 0.000 0.273 723 N C -0.622 174.875 175.510 -0.022 0.000 1.173 723 N CA 0.169 53.218 53.050 -0.002 0.000 0.967 723 N CB 1.538 40.045 38.487 0.032 0.000 1.109 723 N HN 0.465 8.845 8.380 -0.000 0.000 0.453 724 V N 1.693 121.585 119.914 -0.038 0.000 2.735 724 V HA 0.339 4.463 4.120 0.006 0.000 0.310 724 V C 0.284 176.352 176.094 -0.044 0.000 1.061 724 V CA -0.903 61.362 62.300 -0.058 0.000 0.913 724 V CB 2.047 33.811 31.823 -0.099 0.000 1.005 724 V HN 0.429 8.619 8.190 -0.000 0.000 0.428 725 L N 3.975 125.172 121.223 -0.045 0.000 2.404 725 L HA 0.263 4.607 4.340 0.006 0.000 0.277 725 L C 1.115 177.959 176.870 -0.043 0.000 1.184 725 L CA 0.039 54.858 54.840 -0.035 0.000 1.013 725 L CB 0.209 42.249 42.059 -0.032 0.000 1.318 725 L HN 0.639 8.869 8.230 -0.000 0.000 0.435 726 I N 1.774 122.322 120.570 -0.036 0.000 3.428 726 I HA 0.239 4.412 4.170 0.006 0.000 0.286 726 I C 1.091 177.191 176.117 -0.027 0.000 1.287 726 I CA 0.507 61.784 61.300 -0.037 0.000 1.396 726 I CB -0.354 37.628 38.000 -0.029 0.000 1.062 726 I HN 0.663 8.873 8.210 -0.000 0.000 0.471 727 G N -0.019 108.768 108.800 -0.022 0.000 2.587 727 G HA2 -0.058 3.905 3.960 0.006 0.000 0.686 727 G HA3 -0.058 3.905 3.960 0.006 0.000 0.686 727 G C -0.297 174.599 174.900 -0.008 0.000 1.236 727 G CA -0.327 44.763 45.100 -0.016 0.000 0.820 727 G HN 0.175 8.465 8.290 -0.000 0.000 0.645 728 Q N -1.727 118.070 119.800 -0.005 0.000 2.503 728 Q HA -0.223 4.121 4.340 0.006 0.000 0.267 728 Q C 1.763 177.762 176.000 -0.001 0.000 1.030 728 Q CA 2.691 58.493 55.803 -0.000 0.000 1.041 728 Q CB -1.948 26.792 28.738 0.005 0.000 1.406 728 Q HN 3.053 11.323 8.270 -0.000 0.000 0.524 729 G N -0.313 108.485 108.800 -0.003 0.000 2.184 729 G HA2 -0.312 3.651 3.960 0.006 0.000 0.264 729 G HA3 -0.312 3.651 3.960 0.006 0.000 0.264 729 G C -0.156 174.743 174.900 -0.002 0.000 0.975 729 G CA 0.447 45.545 45.100 -0.003 0.000 0.642 729 G HN 0.430 8.720 8.290 -0.000 0.000 0.536 730 D N -0.115 120.283 120.400 -0.002 0.000 2.225 730 D HA 0.598 5.241 4.640 0.006 0.000 0.249 730 D C 0.038 176.335 176.300 -0.004 0.000 1.052 730 D CA -0.235 53.765 54.000 -0.001 0.000 0.909 730 D CB 1.687 42.488 40.800 0.002 0.000 1.186 730 D HN 0.231 8.601 8.370 -0.000 0.000 0.431 731 V N 3.329 123.243 119.914 -0.001 0.000 2.531 731 V HA 0.486 4.609 4.120 0.006 0.000 0.301 731 V C -0.153 175.942 176.094 0.000 0.000 1.034 731 V CA -0.845 61.453 62.300 -0.003 0.000 0.865 731 V CB 1.525 33.350 31.823 0.002 0.000 0.995 731 V HN 0.470 8.660 8.190 -0.000 0.000 0.424 732 V N 2.815 122.725 119.914 -0.008 0.000 2.962 732 V HA 0.757 4.880 4.120 0.006 0.000 0.313 732 V C -0.802 175.281 176.094 -0.018 0.000 1.099 732 V CA -1.149 61.147 62.300 -0.007 0.000 0.971 732 V CB 2.039 33.858 31.823 -0.008 0.000 1.028 732 V HN 0.653 8.843 8.190 -0.000 0.000 0.430 733 L N 4.399 125.609 121.223 -0.022 0.000 2.290 733 L HA 0.746 5.090 4.340 0.006 0.000 0.284 733 L C 0.007 176.842 176.870 -0.058 0.000 1.078 733 L CA 0.359 55.161 54.840 -0.063 0.000 0.815 733 L CB 1.212 43.218 42.059 -0.089 0.000 1.162 733 L HN 0.992 9.222 8.230 -0.000 0.000 0.435 734 V N 3.653 123.530 119.914 -0.061 0.000 3.001 734 V HA 0.680 4.803 4.120 0.006 0.000 0.314 734 V C -0.703 175.402 176.094 0.018 0.000 1.099 734 V CA -0.886 61.414 62.300 -0.001 0.000 0.989 734 V CB 2.002 33.834 31.823 0.014 0.000 1.040 734 V HN 0.918 9.108 8.190 -0.000 0.000 0.434 735 M N 2.791 122.446 119.600 0.092 0.000 2.326 735 M HA 0.532 5.015 4.480 0.006 0.000 0.306 735 M C -0.703 175.687 176.300 0.150 0.000 1.054 735 M CA -0.729 54.619 55.300 0.080 0.000 0.922 735 M CB 1.888 34.489 32.600 0.003 0.000 1.632 735 M HN 0.967 9.257 8.290 -0.000 0.000 0.436 736 K N 4.394 124.849 120.400 0.091 0.000 2.339 736 K HA 0.265 4.588 4.320 0.006 0.000 0.286 736 K C -0.496 175.960 176.600 -0.240 0.000 1.050 736 K CA -0.186 55.917 56.287 -0.307 0.000 0.956 736 K CB 0.755 33.086 32.500 -0.282 0.000 0.990 736 K HN 0.702 8.952 8.250 -0.000 0.000 0.475 737 R N 3.078 123.392 120.500 -0.309 0.000 2.738 737 R HA 0.039 4.383 4.340 0.006 0.000 0.268 737 R C 1.051 177.264 176.300 -0.145 0.000 1.062 737 R CA -0.313 55.685 56.100 -0.170 0.000 1.158 737 R CB 0.516 30.728 30.300 -0.145 0.000 1.046 737 R HN 0.615 8.885 8.270 -0.000 0.000 0.493 738 K N 2.063 122.412 120.400 -0.086 0.000 2.044 738 K HA -0.031 4.292 4.320 0.006 0.000 0.204 738 K C 0.519 177.082 176.600 -0.062 0.000 1.049 738 K CA 1.169 57.418 56.287 -0.064 0.000 0.945 738 K CB 0.046 32.524 32.500 -0.038 0.000 0.724 738 K HN 0.414 8.664 8.250 -0.000 0.000 0.440 739 R N 1.486 121.953 120.500 -0.055 0.000 2.500 739 R HA 0.214 4.558 4.340 0.006 0.000 0.277 739 R C -0.820 175.446 176.300 -0.056 0.000 1.026 739 R CA -0.377 55.696 56.100 -0.045 0.000 1.058 739 R CB 0.642 30.925 30.300 -0.029 0.000 1.078 739 R HN -0.002 8.268 8.270 -0.000 0.000 0.509 740 D N 0.039 120.412 120.400 -0.044 0.000 2.193 740 D HA 0.216 4.859 4.640 0.006 0.000 0.244 740 D C -0.573 175.713 176.300 -0.024 0.000 1.064 740 D CA -0.152 53.825 54.000 -0.040 0.000 0.845 740 D CB 1.515 42.296 40.800 -0.031 0.000 1.148 740 D HN 0.307 8.677 8.370 -0.000 0.000 0.464 741 S N 0.917 116.604 115.700 -0.021 0.000 2.576 741 S HA 0.297 4.771 4.470 0.006 0.000 0.276 741 S C 0.099 174.694 174.600 -0.007 0.000 1.339 741 S CA -0.667 57.526 58.200 -0.012 0.000 1.039 741 S CB 1.148 64.343 63.200 -0.007 0.000 0.902 741 S HN 0.427 8.737 8.310 -0.000 0.000 0.516 742 S N 1.568 117.265 115.700 -0.005 0.000 2.578 742 S HA 0.714 5.187 4.470 0.006 0.000 0.283 742 S C -0.335 174.269 174.600 0.008 0.000 1.195 742 S CA -0.928 57.272 58.200 0.000 0.000 1.050 742 S CB -0.003 63.196 63.200 -0.003 0.000 1.012 742 S HN 0.606 8.916 8.310 -0.000 0.000 0.511 743 I N 1.041 121.620 120.570 0.016 0.000 3.002 743 I HA 0.690 4.863 4.170 0.006 0.000 0.310 743 I C -1.416 174.721 176.117 0.033 0.000 1.087 743 I CA -1.436 59.883 61.300 0.032 0.000 1.017 743 I CB 1.692 39.710 38.000 0.030 0.000 1.226 743 I HN 0.534 8.744 8.210 -0.000 0.000 0.443 744 L N 3.703 124.956 121.223 0.050 0.000 2.257 744 L HA 0.626 4.970 4.340 0.006 0.000 0.290 744 L C 0.138 177.035 176.870 0.046 0.000 1.044 744 L CA 0.699 55.565 54.840 0.043 0.000 0.810 744 L CB 0.750 42.837 42.059 0.046 0.000 1.193 744 L HN 0.996 9.226 8.230 -0.000 0.000 0.425 745 T N 0.000 114.574 114.554 0.034 0.000 3.816 745 T HA 0.000 4.353 4.350 0.006 0.000 0.228 745 T CA 0.000 62.119 62.100 0.031 0.000 1.349 745 T CB 0.000 68.885 68.868 0.028 0.000 0.612 745 T HN 0.000 8.240 8.240 -0.000 0.000 0.658