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 2rhp_1_A DATA FIRST_RESID 551 DATA SEQUENCE DGcLSNPcFP GAQcSSFPDG SWScGFcPVG FLGNGTHcED LDEcALVPDI DATA SEQUENCE cFSTSKVPRc VNTQPGFHcL PcPPRYRGNQ PVGVGLEAAK TEKQVcEPEN DATA SEQUENCE PcKDKTHNcH KHAEcIYLGH FSDPMYKcEc QTGYAGDGLI cGEDSDLDGW DATA SEQUENCE PSLNLVcATN ATYHcIKDNc PHLPNSGQED FDKDGIGDAc DDDDDNDGVT DATA SEQUENCE DEKDNcQLLF NPRQADYDKD EVGDRcDNcP YVHNPAQIDT DNNGEGDAcS DATA SEQUENCE VDIDGDDVFN ERDNcPYVYN TDQRDTDGDG VGDHcDNcPL VHNPDQTDVD DATA SEQUENCE NDLVGDQcDN NEDIDDDGHQ NNQDNcPYIS NANQADHDRD GQGDAcDPDD DATA SEQUENCE DNDGVPDDRD NcRLVFNPDQ EDLDGDGRGD IcKDDFDNDN IPDIDDVcPE DATA SEQUENCE NNAISETDFR NFQMVPLDPK GTTQIDPNWV IRHQGKELVQ TANSDPGIAV DATA SEQUENCE GFDEFGSVDF SGTFYVNTDR DDDYAGFVFG YQSSSRFYVV MWKQVTQTYW DATA SEQUENCE EDQPTRAYGY SGVSLKVVNS TTGTGEHLRN ALWHTGNTPG QVRTLWHDPR DATA SEQUENCE NIGWKDYTAY RWHLTHRPKT GYIRVLVHEG KQVMADSGPI YDQTYAGGRL DATA SEQUENCE GLFVFSQEMV YFSDLKYEcR DI 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 551 D HA 0.000 nan 4.640 nan 0.000 0.175 551 D C 0.000 176.323 176.300 0.038 0.000 2.045 551 D CA 0.000 54.016 54.000 0.026 0.000 0.868 551 D CB 0.000 40.825 40.800 0.042 0.000 0.688 552 G N 0.029 108.873 108.800 0.075 0.000 2.712 552 G HA2 0.013 3.972 3.960 -0.003 0.000 0.212 552 G HA3 0.013 3.972 3.960 -0.003 0.000 0.212 552 G C 1.307 176.237 174.900 0.049 0.000 1.142 552 G CA 0.975 46.166 45.100 0.150 0.000 0.789 552 G HN 0.426 nan 8.290 nan 0.000 0.535 553 c N 0.586 119.168 118.600 -0.031 0.000 2.626 553 c HA 0.299 4.868 4.570 -0.003 0.000 0.266 553 c C 2.523 176.535 174.090 -0.130 0.000 1.317 553 c CA -0.259 55.986 56.329 -0.140 0.000 1.716 553 c CB -0.983 41.458 42.510 -0.114 0.000 1.819 553 c HN 0.438 nan 8.230 nan 0.000 0.578 554 L N 1.142 122.318 121.223 -0.078 0.000 2.291 554 L HA -0.054 4.285 4.340 -0.003 0.000 0.214 554 L C 2.097 178.915 176.870 -0.087 0.000 1.120 554 L CA 1.319 56.117 54.840 -0.070 0.000 0.799 554 L CB -0.398 41.639 42.059 -0.038 0.000 0.925 554 L HN 0.397 nan 8.230 nan 0.000 0.446 555 S N -1.516 114.121 115.700 -0.105 0.000 2.677 555 S HA 0.085 4.553 4.470 -0.003 0.000 0.246 555 S C 0.414 174.909 174.600 -0.175 0.000 1.005 555 S CA -0.603 57.532 58.200 -0.108 0.000 1.062 555 S CB -0.789 62.374 63.200 -0.062 0.000 0.778 555 S HN 0.334 nan 8.310 nan 0.000 0.461 556 N N 3.324 121.905 118.700 -0.199 0.000 2.844 556 N HA -0.114 4.624 4.740 -0.003 0.000 0.298 556 N C -1.793 173.535 175.510 -0.304 0.000 1.063 556 N CA 0.696 53.601 53.050 -0.242 0.000 0.818 556 N CB -0.255 38.118 38.487 -0.190 0.000 0.971 556 N HN 0.471 nan 8.380 nan 0.000 0.596 557 P HA 0.162 nan 4.420 nan 0.000 0.245 557 P C -0.330 176.653 177.300 -0.528 0.000 1.199 557 P CA 0.256 62.984 63.100 -0.619 0.000 0.807 557 P CB 0.537 31.429 31.700 -1.347 0.000 1.002 558 c N 1.221 119.561 118.600 -0.434 0.000 2.330 558 c HA 0.420 4.988 4.570 -0.003 0.000 0.344 558 c C 0.528 174.559 174.090 -0.098 0.000 1.273 558 c CA -0.849 55.354 56.329 -0.209 0.000 1.879 558 c CB -1.355 41.060 42.510 -0.159 0.000 2.376 558 c HN 0.230 nan 8.230 nan 0.000 0.534 559 F N 5.585 125.448 119.950 -0.144 0.000 2.452 559 F HA 0.022 4.547 4.527 -0.003 0.000 0.403 559 F C -1.886 173.801 175.800 -0.188 0.000 0.972 559 F CA -0.524 57.377 58.000 -0.165 0.000 1.194 559 F CB 0.187 39.094 39.000 -0.155 0.000 0.908 559 F HN 0.458 nan 8.300 nan 0.000 0.555 560 P HA 0.230 nan 4.420 nan 0.000 0.267 560 P C 0.451 177.428 177.300 -0.537 0.000 1.209 560 P CA 1.390 64.109 63.100 -0.634 0.000 0.763 560 P CB 0.698 32.005 31.700 -0.655 0.000 0.816 561 G N 2.002 110.642 108.800 -0.267 0.000 2.307 561 G HA2 -0.129 3.830 3.960 -0.003 0.000 0.210 561 G HA3 -0.129 3.830 3.960 -0.003 0.000 0.210 561 G C 0.384 175.232 174.900 -0.087 0.000 1.005 561 G CA -0.027 44.979 45.100 -0.157 0.000 0.634 561 G HN 0.827 nan 8.290 nan 0.000 0.496 562 A N 0.200 123.020 122.820 -0.000 0.000 2.351 562 A HA 0.689 5.008 4.320 -0.003 0.000 0.257 562 A C 0.440 178.033 177.584 0.015 0.000 1.087 562 A CA 0.818 52.911 52.037 0.093 0.000 0.798 562 A CB 0.735 19.835 19.000 0.167 0.000 1.033 562 A HN 1.026 nan 8.150 nan 0.000 0.488 563 Q N 0.606 120.472 119.800 0.110 0.000 2.288 563 Q HA 0.348 4.687 4.340 -0.003 0.000 0.258 563 Q C -0.750 175.292 176.000 0.069 0.000 0.957 563 Q CA -0.040 55.806 55.803 0.072 0.000 0.919 563 Q CB 1.013 29.875 28.738 0.206 0.000 1.185 563 Q HN 0.713 nan 8.270 nan 0.000 0.408 564 c N 4.534 123.127 118.600 -0.011 0.000 2.223 564 c HA 0.587 5.156 4.570 -0.003 0.000 0.324 564 c C -0.322 173.742 174.090 -0.042 0.000 1.196 564 c CA -0.390 55.910 56.329 -0.047 0.000 1.628 564 c CB -0.772 41.652 42.510 -0.144 0.000 2.229 564 c HN 0.861 nan 8.230 nan 0.000 0.486 565 S N 4.115 119.795 115.700 -0.033 0.000 2.499 565 S HA 0.407 4.876 4.470 -0.003 0.000 0.275 565 S C 0.161 174.511 174.600 -0.417 0.000 1.257 565 S CA -0.264 57.859 58.200 -0.128 0.000 1.050 565 S CB 0.681 63.873 63.200 -0.014 0.000 0.937 565 S HN 0.941 nan 8.310 nan 0.000 0.490 566 S N 3.507 119.015 115.700 -0.320 0.000 2.451 566 S HA 0.703 5.171 4.470 -0.003 0.000 0.301 566 S C -0.609 173.834 174.600 -0.262 0.000 1.116 566 S CA -0.816 57.187 58.200 -0.329 0.000 1.093 566 S CB 0.354 63.499 63.200 -0.092 0.000 1.017 566 S HN 0.509 nan 8.310 nan 0.000 0.482 567 F N 1.140 121.144 119.950 0.090 0.000 2.470 567 F HA 0.435 4.960 4.527 -0.003 0.000 0.329 567 F C -1.625 174.200 175.800 0.041 0.000 1.072 567 F CA -2.847 55.184 58.000 0.052 0.000 0.989 567 F CB 1.071 40.090 39.000 0.031 0.000 1.193 567 F HN 0.346 nan 8.300 nan 0.000 0.481 568 P HA -0.202 nan 4.420 nan 0.000 0.219 568 P C 0.551 177.912 177.300 0.102 0.000 1.144 568 P CA 1.442 64.617 63.100 0.125 0.000 0.806 568 P CB -0.033 31.723 31.700 0.094 0.000 0.771 569 D N -2.152 118.321 120.400 0.122 0.000 2.358 569 D HA 0.102 4.740 4.640 -0.003 0.000 0.224 569 D C 1.347 177.695 176.300 0.080 0.000 1.123 569 D CA 0.310 54.359 54.000 0.082 0.000 0.833 569 D CB -0.741 40.096 40.800 0.062 0.000 0.946 569 D HN 0.210 nan 8.370 nan 0.000 0.505 570 G N 0.622 109.480 108.800 0.096 0.000 2.205 570 G HA2 -0.323 3.636 3.960 -0.003 0.000 0.261 570 G HA3 -0.323 3.636 3.960 -0.003 0.000 0.261 570 G C 0.475 175.430 174.900 0.092 0.000 0.980 570 G CA 0.568 45.720 45.100 0.087 0.000 0.632 570 G HN 0.811 nan 8.290 nan 0.000 0.533 571 S N 0.410 116.156 115.700 0.076 0.000 2.632 571 S HA 0.762 5.230 4.470 -0.003 0.000 0.267 571 S C 0.286 174.845 174.600 -0.068 0.000 1.276 571 S CA 0.267 58.443 58.200 -0.040 0.000 0.998 571 S CB 1.260 64.472 63.200 0.020 0.000 0.953 571 S HN 1.356 nan 8.310 nan 0.000 0.547 572 W N -0.947 120.295 121.300 -0.096 0.000 3.047 572 W HA 0.754 5.412 4.660 -0.003 0.000 0.341 572 W C -1.194 175.227 176.519 -0.164 0.000 1.225 572 W CA -1.017 56.109 57.345 -0.364 0.000 1.150 572 W CB 1.216 30.544 29.460 -0.221 0.000 1.470 572 W HN 0.683 nan 8.180 nan 0.000 0.578 573 S N 0.277 116.161 115.700 0.307 0.000 2.546 573 S HA 0.553 5.022 4.470 -0.003 0.000 0.272 573 S C -1.437 173.373 174.600 0.350 0.000 1.140 573 S CA -0.251 58.190 58.200 0.403 0.000 0.920 573 S CB 1.057 64.492 63.200 0.391 0.000 1.083 573 S HN 0.504 nan 8.310 nan 0.000 0.476 574 c N 3.813 122.628 118.600 0.359 0.000 2.255 574 c HA 0.708 5.277 4.570 -0.003 0.000 0.326 574 c C 1.552 175.755 174.090 0.188 0.000 1.258 574 c CA -0.330 56.136 56.329 0.228 0.000 1.676 574 c CB -0.152 42.489 42.510 0.218 0.000 2.314 574 c HN 1.067 nan 8.230 nan 0.000 0.509 575 G N 1.638 110.543 108.800 0.174 0.000 2.764 575 G HA2 0.245 4.203 3.960 -0.003 0.000 0.218 575 G HA3 0.245 4.203 3.960 -0.003 0.000 0.218 575 G C 0.292 175.260 174.900 0.113 0.000 1.304 575 G CA -0.022 45.152 45.100 0.123 0.000 0.847 575 G HN 0.532 nan 8.290 nan 0.000 0.610 576 F N 0.339 120.326 119.950 0.062 0.000 2.668 576 F HA 0.292 4.818 4.527 -0.003 0.000 0.338 576 F C 0.568 176.405 175.800 0.062 0.000 1.194 576 F CA 0.327 58.362 58.000 0.058 0.000 1.385 576 F CB 0.437 39.467 39.000 0.051 0.000 1.088 576 F HN 0.068 nan 8.300 nan 0.000 0.624 577 c N 2.853 121.654 118.600 0.334 0.000 2.686 577 c HA 0.351 4.919 4.570 -0.003 0.000 0.318 577 c C -2.379 171.903 174.090 0.319 0.000 1.160 577 c CA -1.493 54.983 56.329 0.246 0.000 1.396 577 c CB 1.721 44.309 42.510 0.129 0.000 1.924 577 c HN 0.441 nan 8.230 nan 0.000 0.471 578 P HA 0.068 nan 4.420 nan 0.000 0.258 578 P C -0.155 177.395 177.300 0.416 0.000 1.214 578 P CA 0.185 63.463 63.100 0.296 0.000 0.872 578 P CB -0.011 31.820 31.700 0.218 0.000 0.890 579 V N 3.572 123.675 119.914 0.314 0.000 2.915 579 V HA -0.041 4.077 4.120 -0.003 0.000 0.289 579 V C 1.740 177.980 176.094 0.243 0.000 1.067 579 V CA 2.075 64.524 62.300 0.249 0.000 1.238 579 V CB -1.311 30.631 31.823 0.198 0.000 0.809 579 V HN 1.023 nan 8.190 nan 0.000 0.449 580 G N 3.794 112.712 108.800 0.197 0.000 2.425 580 G HA2 -0.117 3.842 3.960 -0.003 0.000 0.177 580 G HA3 -0.117 3.842 3.960 -0.003 0.000 0.177 580 G C -0.349 174.445 174.900 -0.177 0.000 0.999 580 G CA -0.470 44.653 45.100 0.038 0.000 0.723 580 G HN 0.499 nan 8.290 nan 0.000 0.491 581 F N -0.124 119.855 119.950 0.049 0.000 2.618 581 F HA 0.730 5.256 4.527 -0.003 0.000 0.332 581 F C 1.488 177.266 175.800 -0.036 0.000 1.061 581 F CA -0.940 57.050 58.000 -0.017 0.000 0.974 581 F CB 1.130 40.079 39.000 -0.085 0.000 1.310 581 F HN -0.065 nan 8.300 nan 0.000 0.491 582 L N 1.036 122.332 121.223 0.122 0.000 1.913 582 L HA 0.121 4.459 4.340 -0.003 0.000 0.217 582 L C 0.820 177.715 176.870 0.042 0.000 1.086 582 L CA 1.656 56.525 54.840 0.047 0.000 0.772 582 L CB -0.447 41.624 42.059 0.021 0.000 0.887 582 L HN 0.875 nan 8.230 nan 0.000 0.432 583 G N -0.836 107.975 108.800 0.019 0.000 2.481 583 G HA2 -0.157 3.802 3.960 -0.003 0.000 0.234 583 G HA3 -0.157 3.802 3.960 -0.003 0.000 0.234 583 G C -0.067 174.844 174.900 0.019 0.000 2.038 583 G CA -0.002 45.111 45.100 0.022 0.000 0.899 583 G HN 0.270 nan 8.290 nan 0.000 0.543 584 N N 0.420 119.129 118.700 0.016 0.000 2.432 584 N HA 0.269 5.008 4.740 -0.003 0.000 0.174 584 N C 1.773 177.322 175.510 0.066 0.000 1.037 584 N CA 2.040 55.112 53.050 0.036 0.000 0.892 584 N CB 0.360 38.870 38.487 0.039 0.000 1.049 584 N HN 1.457 nan 8.380 nan 0.000 0.442 585 G N -0.244 108.600 108.800 0.073 0.000 2.905 585 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.199 585 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.199 585 G C 1.090 176.081 174.900 0.152 0.000 1.370 585 G CA 0.871 46.043 45.100 0.118 0.000 0.966 585 G HN 0.517 nan 8.290 nan 0.000 0.522 586 T N -1.887 112.784 114.554 0.196 0.000 2.925 586 T HA 0.259 4.608 4.350 -0.003 0.000 0.245 586 T C 0.904 175.783 174.700 0.299 0.000 1.025 586 T CA 1.162 63.417 62.100 0.258 0.000 1.149 586 T CB -0.133 68.950 68.868 0.358 0.000 0.866 586 T HN 0.571 nan 8.240 nan 0.000 0.437 587 H N 0.048 119.146 119.070 0.046 0.000 2.641 587 H HA 0.565 5.120 4.556 -0.003 0.000 0.295 587 H C -1.058 174.183 175.328 -0.146 0.000 1.070 587 H CA -0.944 55.101 56.048 -0.004 0.000 1.257 587 H CB 0.654 30.429 29.762 0.022 0.000 1.393 587 H HN 0.254 nan 8.280 nan 0.000 0.464 588 c N 4.326 122.699 118.600 -0.379 0.000 2.396 588 c HA 0.281 4.850 4.570 -0.003 0.000 0.321 588 c C 0.102 173.896 174.090 -0.492 0.000 1.233 588 c CA -0.449 55.542 56.329 -0.564 0.000 1.440 588 c CB 0.742 42.729 42.510 -0.871 0.000 2.110 588 c HN 0.835 nan 8.230 nan 0.000 0.473 589 E N 1.328 121.483 120.200 -0.076 0.000 2.259 589 E HA 0.306 4.654 4.350 -0.003 0.000 0.257 589 E C -1.138 175.545 176.600 0.140 0.000 0.998 589 E CA -0.583 55.870 56.400 0.089 0.000 0.866 589 E CB 1.184 30.909 29.700 0.041 0.000 1.220 589 E HN 0.732 nan 8.360 nan 0.000 0.415 590 D N 0.975 121.371 120.400 -0.007 0.000 2.382 590 D HA 0.095 4.733 4.640 -0.003 0.000 0.245 590 D C -1.121 175.083 176.300 -0.160 0.000 1.120 590 D CA -0.282 53.556 54.000 -0.270 0.000 0.890 590 D CB 0.573 41.244 40.800 -0.215 0.000 1.201 590 D HN 0.077 nan 8.370 nan 0.000 0.433 591 L N 3.115 124.219 121.223 -0.199 0.000 2.334 591 L HA 0.327 4.666 4.340 -0.003 0.000 0.277 591 L C -0.445 176.385 176.870 -0.068 0.000 1.075 591 L CA -0.231 54.554 54.840 -0.091 0.000 0.804 591 L CB 1.470 43.493 42.059 -0.060 0.000 1.174 591 L HN 0.366 nan 8.230 nan 0.000 0.438 592 D N 2.447 122.820 120.400 -0.046 0.000 2.524 592 D HA 0.125 4.763 4.640 -0.003 0.000 0.222 592 D C 0.715 176.980 176.300 -0.059 0.000 1.142 592 D CA -0.093 53.884 54.000 -0.038 0.000 0.973 592 D CB 0.689 41.470 40.800 -0.033 0.000 1.025 592 D HN 0.632 nan 8.370 nan 0.000 0.519 593 E N 0.585 120.745 120.200 -0.066 0.000 2.160 593 E HA -0.148 4.200 4.350 -0.003 0.000 0.195 593 E C 1.715 178.167 176.600 -0.247 0.000 0.991 593 E CA 0.981 57.273 56.400 -0.179 0.000 0.810 593 E CB -0.044 29.497 29.700 -0.265 0.000 0.742 593 E HN 0.509 nan 8.360 nan 0.000 0.466 594 c N 0.922 119.425 118.600 -0.162 0.000 4.308 594 c HA 0.170 4.739 4.570 -0.003 0.000 0.296 594 c C 1.598 175.628 174.090 -0.100 0.000 1.254 594 c CA 0.074 56.323 56.329 -0.133 0.000 1.824 594 c CB -1.059 41.422 42.510 -0.047 0.000 2.103 594 c HN 0.483 nan 8.230 nan 0.000 0.443 595 A N -0.248 122.535 122.820 -0.062 0.000 2.406 595 A HA 0.435 4.753 4.320 -0.003 0.000 0.243 595 A C 0.811 178.363 177.584 -0.052 0.000 1.082 595 A CA 0.003 52.010 52.037 -0.050 0.000 0.786 595 A CB -0.357 18.623 19.000 -0.034 0.000 1.029 595 A HN 0.872 nan 8.150 nan 0.000 0.495 596 L N -0.618 120.579 121.223 -0.045 0.000 4.739 596 L HA -0.304 4.035 4.340 -0.003 0.000 0.437 596 L C 0.781 177.622 176.870 -0.047 0.000 1.117 596 L CA 0.824 55.640 54.840 -0.040 0.000 0.970 596 L CB -1.776 40.264 42.059 -0.032 0.000 1.965 596 L HN 0.590 nan 8.230 nan 0.000 0.872 597 V N -2.956 116.920 119.914 -0.063 0.000 5.082 597 V HA 0.380 4.498 4.120 -0.003 0.000 0.154 597 V C -1.070 174.979 176.094 -0.075 0.000 0.918 597 V CA 0.379 62.636 62.300 -0.072 0.000 1.435 597 V CB -0.869 30.897 31.823 -0.095 0.000 2.319 597 V HN 0.131 nan 8.190 nan 0.000 0.393 598 P HA 0.395 nan 4.420 nan 0.000 0.323 598 P C -1.265 175.987 177.300 -0.081 0.000 1.363 598 P CA 0.480 63.528 63.100 -0.087 0.000 0.851 598 P CB 0.345 31.981 31.700 -0.107 0.000 2.110 599 D N -1.141 119.213 120.400 -0.078 0.000 3.719 599 D HA 0.042 4.680 4.640 -0.003 0.000 0.292 599 D C 0.095 176.367 176.300 -0.047 0.000 1.511 599 D CA -0.192 53.772 54.000 -0.061 0.000 0.760 599 D CB -1.237 39.535 40.800 -0.047 0.000 1.333 599 D HN 0.226 nan 8.370 nan 0.000 0.684 600 I N -1.821 118.710 120.570 -0.064 0.000 3.806 600 I HA 0.378 4.547 4.170 -0.003 0.000 0.321 600 I C -0.213 175.917 176.117 0.021 0.000 1.315 600 I CA -0.967 60.316 61.300 -0.029 0.000 1.148 600 I CB -0.420 37.542 38.000 -0.064 0.000 1.028 600 I HN 0.013 nan 8.210 nan 0.000 0.415 601 c N 0.271 118.883 118.600 0.020 0.000 2.561 601 c HA 0.512 5.080 4.570 -0.003 0.000 0.319 601 c C -0.102 174.030 174.090 0.070 0.000 1.198 601 c CA -0.809 55.557 56.329 0.062 0.000 1.665 601 c CB 1.390 43.932 42.510 0.054 0.000 2.258 601 c HN 0.459 nan 8.230 nan 0.000 0.493 602 F N 3.534 123.457 119.950 -0.045 0.000 2.466 602 F HA 0.349 4.875 4.527 -0.003 0.000 0.363 602 F C 0.881 176.626 175.800 -0.091 0.000 1.109 602 F CA -0.021 57.933 58.000 -0.076 0.000 1.161 602 F CB 0.516 39.452 39.000 -0.107 0.000 1.117 602 F HN 0.668 nan 8.300 nan 0.000 0.539 603 S N 3.250 118.554 115.700 -0.660 0.000 2.505 603 S HA 0.147 4.616 4.470 -0.003 0.000 0.276 603 S C 0.582 174.657 174.600 -0.875 0.000 1.274 603 S CA -0.559 57.301 58.200 -0.565 0.000 1.053 603 S CB 0.963 63.959 63.200 -0.340 0.000 0.919 603 S HN 0.694 nan 8.310 nan 0.000 0.490 604 T N 2.677 116.941 114.554 -0.483 0.000 3.473 604 T HA 0.211 4.559 4.350 -0.003 0.000 0.247 604 T C 0.926 175.533 174.700 -0.155 0.000 1.010 604 T CA 0.488 62.401 62.100 -0.311 0.000 0.940 604 T CB -0.956 67.876 68.868 -0.060 0.000 1.068 604 T HN 1.021 nan 8.240 nan 0.000 0.604 605 S N -1.132 114.440 115.700 -0.214 0.000 2.765 605 S HA -0.166 4.302 4.470 -0.003 0.000 0.266 605 S C 0.868 175.419 174.600 -0.082 0.000 1.302 605 S CA 1.406 59.544 58.200 -0.104 0.000 1.274 605 S CB -0.722 62.469 63.200 -0.015 0.000 1.559 605 S HN 0.523 nan 8.310 nan 0.000 0.658 606 K N -0.057 120.285 120.400 -0.097 0.000 2.552 606 K HA 0.755 5.074 4.320 -0.003 0.000 0.288 606 K C 1.397 177.948 176.600 -0.082 0.000 0.976 606 K CA 0.558 56.804 56.287 -0.069 0.000 1.407 606 K CB 0.107 32.578 32.500 -0.048 0.000 1.832 606 K HN 0.091 nan 8.250 nan 0.000 0.806 607 V N -0.500 119.375 119.914 -0.065 0.000 3.161 607 V HA 0.147 4.265 4.120 -0.003 0.000 0.228 607 V C -2.126 173.937 176.094 -0.051 0.000 1.415 607 V CA -0.238 62.025 62.300 -0.062 0.000 1.285 607 V CB 0.190 31.985 31.823 -0.046 0.000 1.100 607 V HN 0.616 nan 8.190 nan 0.000 0.478 608 P HA 0.341 nan 4.420 nan 0.000 0.231 608 P C 0.231 177.527 177.300 -0.007 0.000 1.811 608 P CA 0.137 63.227 63.100 -0.017 0.000 1.051 608 P CB 0.525 32.221 31.700 -0.007 0.000 1.951 609 R N -0.247 120.246 120.500 -0.013 0.000 2.307 609 R HA 0.137 4.475 4.340 -0.003 0.000 0.200 609 R C 0.260 176.582 176.300 0.037 0.000 0.893 609 R CA 0.050 56.154 56.100 0.007 0.000 1.042 609 R CB -0.025 30.264 30.300 -0.018 0.000 1.059 609 R HN 0.342 nan 8.270 nan 0.000 0.530 610 c N 2.569 121.187 118.600 0.031 0.000 2.295 610 c HA 0.545 5.113 4.570 -0.003 0.000 0.331 610 c C 0.426 174.561 174.090 0.076 0.000 1.280 610 c CA -0.751 55.615 56.329 0.061 0.000 1.746 610 c CB 0.205 42.728 42.510 0.022 0.000 2.328 610 c HN 0.181 nan 8.230 nan 0.000 0.521 611 V N 4.849 124.840 119.914 0.128 0.000 2.532 611 V HA 0.579 4.697 4.120 -0.003 0.000 0.295 611 V C -0.263 175.913 176.094 0.138 0.000 1.041 611 V CA -0.489 61.880 62.300 0.115 0.000 0.926 611 V CB 1.566 33.459 31.823 0.115 0.000 0.992 611 V HN 0.865 nan 8.190 nan 0.000 0.457 612 N N 2.823 121.574 118.700 0.085 0.000 2.419 612 N HA 0.658 5.397 4.740 -0.003 0.000 0.277 612 N C -0.169 175.370 175.510 0.049 0.000 1.006 612 N CA 0.017 53.113 53.050 0.077 0.000 0.923 612 N CB 1.620 40.127 38.487 0.034 0.000 1.140 612 N HN 1.127 nan 8.380 nan 0.000 0.488 613 T N 0.077 114.662 114.554 0.051 0.000 2.942 613 T HA 0.294 4.643 4.350 -0.003 0.000 0.289 613 T C 1.078 175.760 174.700 -0.031 0.000 1.044 613 T CA -0.697 61.407 62.100 0.006 0.000 1.023 613 T CB 1.278 70.145 68.868 -0.002 0.000 1.123 613 T HN 0.288 nan 8.240 nan 0.000 0.512 614 Q N 0.207 119.985 119.800 -0.037 0.000 1.956 614 Q HA 0.027 4.365 4.340 -0.003 0.000 0.208 614 Q C -1.560 174.343 176.000 -0.162 0.000 0.998 614 Q CA 1.492 57.259 55.803 -0.060 0.000 0.855 614 Q CB -2.251 26.491 28.738 0.007 0.000 0.928 614 Q HN 0.562 nan 8.270 nan 0.000 0.418 615 P HA 0.377 nan 4.420 nan 0.000 0.297 615 P C 0.144 177.411 177.300 -0.054 0.000 1.342 615 P CA 0.684 63.721 63.100 -0.105 0.000 0.801 615 P CB 1.480 33.209 31.700 0.049 0.000 0.920 616 G N 3.294 112.064 108.800 -0.050 0.000 2.542 616 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.235 616 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.235 616 G C -0.781 174.214 174.900 0.159 0.000 1.286 616 G CA 0.060 45.193 45.100 0.054 0.000 0.904 616 G HN 0.647 nan 8.290 nan 0.000 0.577 617 F N -2.609 117.353 119.950 0.020 0.000 2.869 617 F HA 0.876 5.401 4.527 -0.003 0.000 0.325 617 F C -0.687 175.188 175.800 0.125 0.000 1.184 617 F CA -0.754 57.274 58.000 0.047 0.000 0.951 617 F CB 1.785 40.797 39.000 0.020 0.000 1.421 617 F HN 0.990 nan 8.300 nan 0.000 0.501 618 H N 0.300 119.469 119.070 0.165 0.000 3.240 618 H HA 0.428 4.982 4.556 -0.003 0.000 0.329 618 H C -1.482 173.943 175.328 0.162 0.000 1.024 618 H CA -0.736 55.330 56.048 0.030 0.000 1.487 618 H CB 1.151 30.911 29.762 -0.003 0.000 1.909 618 H HN 1.141 nan 8.280 nan 0.000 0.465 619 c N 4.191 122.755 118.600 -0.062 0.000 2.657 619 c HA 0.266 4.835 4.570 -0.003 0.000 0.404 619 c C 0.116 174.168 174.090 -0.063 0.000 1.291 619 c CA -0.301 56.029 56.329 0.001 0.000 2.218 619 c CB -0.443 42.075 42.510 0.014 0.000 2.687 619 c HN 0.637 nan 8.230 nan 0.000 0.634 620 L N 5.913 127.162 121.223 0.045 0.000 2.357 620 L HA 0.499 4.837 4.340 -0.003 0.000 0.273 620 L C -1.846 175.054 176.870 0.049 0.000 1.080 620 L CA -1.899 52.985 54.840 0.074 0.000 0.803 620 L CB 0.917 43.030 42.059 0.090 0.000 1.174 620 L HN 0.475 nan 8.230 nan 0.000 0.443 621 P HA 0.048 nan 4.420 nan 0.000 0.271 621 P C -0.520 176.818 177.300 0.063 0.000 1.216 621 P CA -0.459 62.667 63.100 0.044 0.000 0.776 621 P CB 0.285 32.016 31.700 0.051 0.000 0.881 622 c N 5.128 123.757 118.600 0.049 0.000 2.431 622 c HA 0.015 4.583 4.570 -0.003 0.000 0.397 622 c C -0.972 173.187 174.090 0.115 0.000 1.436 622 c CA -0.334 56.033 56.329 0.063 0.000 1.596 622 c CB -1.445 41.080 42.510 0.025 0.000 2.550 622 c HN 0.563 nan 8.230 nan 0.000 0.596 623 P HA 0.300 nan 4.420 nan 0.000 0.277 623 P C -2.659 174.787 177.300 0.243 0.000 1.271 623 P CA -1.434 61.778 63.100 0.187 0.000 0.795 623 P CB -0.443 31.377 31.700 0.199 0.000 1.101 624 P HA 0.027 nan 4.420 nan 0.000 0.266 624 P C 0.308 177.738 177.300 0.217 0.000 1.193 624 P CA 0.629 63.830 63.100 0.167 0.000 0.770 624 P CB -0.034 31.748 31.700 0.137 0.000 0.836 625 R N -1.896 118.635 120.500 0.052 0.000 3.728 625 R HA -0.191 4.147 4.340 -0.003 0.000 0.478 625 R C -0.407 175.669 176.300 -0.373 0.000 0.932 625 R CA 1.038 57.017 56.100 -0.202 0.000 1.317 625 R CB -2.056 28.109 30.300 -0.226 0.000 1.987 625 R HN 0.487 nan 8.270 nan 0.000 0.509 626 Y N -0.482 119.813 120.300 -0.007 0.000 2.602 626 Y HA 0.656 5.204 4.550 -0.003 0.000 0.342 626 Y C 0.144 176.007 175.900 -0.062 0.000 1.029 626 Y CA -1.026 57.049 58.100 -0.041 0.000 1.080 626 Y CB 1.801 40.227 38.460 -0.057 0.000 1.284 626 Y HN -0.078 nan 8.280 nan 0.000 0.485 627 R N 0.500 121.045 120.500 0.074 0.000 2.548 627 R HA 0.701 5.040 4.340 -0.003 0.000 0.280 627 R C -0.938 175.348 176.300 -0.023 0.000 1.061 627 R CA -0.328 55.776 56.100 0.007 0.000 0.915 627 R CB 1.847 32.130 30.300 -0.028 0.000 1.210 627 R HN 0.969 nan 8.270 nan 0.000 0.442 628 G N 2.101 110.884 108.800 -0.028 0.000 2.335 628 G HA2 0.056 4.014 3.960 -0.003 0.000 0.291 628 G HA3 0.056 4.014 3.960 -0.003 0.000 0.291 628 G C -1.551 173.329 174.900 -0.033 0.000 1.261 628 G CA -0.801 44.272 45.100 -0.044 0.000 0.871 628 G HN 0.665 nan 8.290 nan 0.000 0.491 629 N N -0.362 118.317 118.700 -0.034 0.000 2.379 629 N HA 0.370 5.108 4.740 -0.003 0.000 0.260 629 N C -0.483 175.011 175.510 -0.028 0.000 1.254 629 N CA -0.110 52.924 53.050 -0.027 0.000 0.958 629 N CB 1.819 40.293 38.487 -0.022 0.000 1.208 629 N HN 0.687 nan 8.380 nan 0.000 0.532 630 Q N -0.016 119.761 119.800 -0.039 0.000 3.255 630 Q HA 0.314 4.653 4.340 -0.003 0.000 0.231 630 Q C -2.699 173.235 176.000 -0.110 0.000 0.935 630 Q CA -1.523 54.240 55.803 -0.066 0.000 0.714 630 Q CB 0.991 29.685 28.738 -0.073 0.000 1.345 630 Q HN 0.427 nan 8.270 nan 0.000 0.463 631 P HA -0.049 nan 4.420 nan 0.000 0.261 631 P C -1.129 176.045 177.300 -0.209 0.000 1.173 631 P CA 0.206 63.268 63.100 -0.063 0.000 0.760 631 P CB 0.707 32.450 31.700 0.071 0.000 0.783 632 V N 3.277 123.036 119.914 -0.259 0.000 2.577 632 V HA 0.799 4.918 4.120 -0.003 0.000 0.303 632 V C 0.450 176.253 176.094 -0.486 0.000 1.042 632 V CA -0.336 61.724 62.300 -0.399 0.000 0.872 632 V CB 2.074 33.776 31.823 -0.202 0.000 0.998 632 V HN 0.766 nan 8.190 nan 0.000 0.423 633 G N 2.617 110.841 108.800 -0.961 0.000 2.706 633 G HA2 0.644 4.603 3.960 -0.003 0.000 0.297 633 G HA3 0.644 4.603 3.960 -0.003 0.000 0.297 633 G C -1.745 172.867 174.900 -0.481 0.000 1.403 633 G CA -0.543 44.138 45.100 -0.698 0.000 0.954 633 G HN 0.531 nan 8.290 nan 0.000 0.500 634 V N 1.244 121.088 119.914 -0.118 0.000 2.350 634 V HA 0.922 5.040 4.120 -0.003 0.000 0.285 634 V C 0.703 176.861 176.094 0.106 0.000 1.014 634 V CA 0.578 62.886 62.300 0.012 0.000 0.831 634 V CB 0.350 32.182 31.823 0.015 0.000 1.000 634 V HN 1.896 nan 8.190 nan 0.000 0.433 635 G N 3.096 111.999 108.800 0.171 0.000 2.355 635 G HA2 0.147 4.106 3.960 -0.003 0.000 0.619 635 G HA3 0.147 4.106 3.960 -0.003 0.000 0.619 635 G C -0.537 174.467 174.900 0.173 0.000 1.337 635 G CA -0.114 45.083 45.100 0.162 0.000 0.993 635 G HN 0.682 nan 8.290 nan 0.000 0.599 636 L N -0.541 120.751 121.223 0.115 0.000 2.357 636 L HA 0.498 4.836 4.340 -0.003 0.000 0.211 636 L C 2.113 179.015 176.870 0.055 0.000 1.075 636 L CA 2.119 56.998 54.840 0.065 0.000 0.830 636 L CB -0.163 41.924 42.059 0.047 0.000 0.996 636 L HN 0.725 nan 8.230 nan 0.000 0.467 637 E N -0.675 119.569 120.200 0.074 0.000 2.442 637 E HA 0.095 4.444 4.350 -0.003 0.000 0.195 637 E C 1.895 178.544 176.600 0.083 0.000 1.030 637 E CA 0.545 56.982 56.400 0.062 0.000 0.869 637 E CB 0.114 29.849 29.700 0.058 0.000 0.857 637 E HN 0.552 nan 8.360 nan 0.000 0.505 638 A N 0.655 123.553 122.820 0.130 0.000 2.167 638 A HA 0.152 4.471 4.320 -0.003 0.000 0.214 638 A C 2.079 179.812 177.584 0.248 0.000 1.151 638 A CA 1.033 53.178 52.037 0.181 0.000 0.735 638 A CB -0.024 19.098 19.000 0.203 0.000 0.802 638 A HN 0.255 nan 8.150 nan 0.000 0.467 639 A N -0.099 122.802 122.820 0.135 0.000 1.956 639 A HA 0.114 4.432 4.320 -0.003 0.000 0.212 639 A C 2.014 179.551 177.584 -0.078 0.000 1.188 639 A CA 1.064 53.048 52.037 -0.089 0.000 0.675 639 A CB -0.130 18.669 19.000 -0.336 0.000 0.845 639 A HN 0.414 nan 8.150 nan 0.000 0.455 640 K N 0.361 120.744 120.400 -0.029 0.000 2.031 640 K HA -0.030 4.288 4.320 -0.003 0.000 0.205 640 K C 0.851 177.453 176.600 0.004 0.000 1.049 640 K CA 1.345 57.618 56.287 -0.022 0.000 0.939 640 K CB -0.374 32.120 32.500 -0.011 0.000 0.717 640 K HN 0.632 nan 8.250 nan 0.000 0.438 641 T N -0.031 114.540 114.554 0.028 0.000 2.882 641 T HA 0.156 4.505 4.350 -0.003 0.000 0.287 641 T C -0.300 174.437 174.700 0.062 0.000 1.014 641 T CA -0.726 61.397 62.100 0.039 0.000 1.049 641 T CB 1.360 70.253 68.868 0.042 0.000 1.001 641 T HN 0.234 nan 8.240 nan 0.000 0.525 642 E N 0.852 121.085 120.200 0.056 0.000 7.439 642 E HA -0.128 4.220 4.350 -0.003 0.000 0.300 642 E C -1.188 175.456 176.600 0.074 0.000 0.813 642 E CA 0.291 56.733 56.400 0.070 0.000 1.419 642 E CB -0.287 29.473 29.700 0.100 0.000 0.921 642 E HN 0.750 nan 8.360 nan 0.000 0.266 643 K N 2.954 123.387 120.400 0.054 0.000 2.468 643 K HA 0.285 4.603 4.320 -0.003 0.000 0.252 643 K C -0.531 176.099 176.600 0.050 0.000 0.932 643 K CA -0.777 55.540 56.287 0.050 0.000 0.794 643 K CB 2.183 34.704 32.500 0.035 0.000 1.241 643 K HN 0.396 nan 8.250 nan 0.000 0.428 644 Q N 2.089 121.926 119.800 0.062 0.000 2.311 644 Q HA 0.179 4.517 4.340 -0.003 0.000 0.272 644 Q C -1.085 174.941 176.000 0.043 0.000 1.012 644 Q CA -0.134 55.701 55.803 0.053 0.000 0.891 644 Q CB 0.799 29.583 28.738 0.076 0.000 1.201 644 Q HN 0.342 nan 8.270 nan 0.000 0.391 645 V N 4.940 124.848 119.914 -0.010 0.000 2.407 645 V HA 0.323 4.442 4.120 -0.003 0.000 0.291 645 V C -0.656 175.346 176.094 -0.154 0.000 1.018 645 V CA -0.760 61.504 62.300 -0.059 0.000 0.842 645 V CB 1.445 33.249 31.823 -0.032 0.000 0.996 645 V HN 0.903 nan 8.190 nan 0.000 0.426 646 c N 4.563 122.942 118.600 -0.367 0.000 2.382 646 c HA 0.634 5.202 4.570 -0.003 0.000 0.327 646 c C 0.020 173.949 174.090 -0.269 0.000 1.250 646 c CA -0.947 55.125 56.329 -0.429 0.000 1.707 646 c CB 1.007 42.986 42.510 -0.885 0.000 2.272 646 c HN 0.786 nan 8.230 nan 0.000 0.506 647 E N 3.275 123.436 120.200 -0.065 0.000 2.191 647 E HA 0.341 4.690 4.350 -0.003 0.000 0.274 647 E C -2.606 173.997 176.600 0.005 0.000 0.948 647 E CA -1.779 54.616 56.400 -0.009 0.000 0.802 647 E CB 1.379 31.051 29.700 -0.047 0.000 1.137 647 E HN 0.420 nan 8.360 nan 0.000 0.397 648 P HA 0.059 nan 4.420 nan 0.000 0.271 648 P C -0.263 176.878 177.300 -0.265 0.000 1.233 648 P CA 0.165 63.058 63.100 -0.345 0.000 0.764 648 P CB 0.555 32.186 31.700 -0.115 0.000 0.825 649 E N 2.807 122.810 120.200 -0.327 0.000 2.438 649 E HA 0.004 4.352 4.350 -0.003 0.000 0.261 649 E C 0.264 176.743 176.600 -0.202 0.000 1.103 649 E CA 0.554 56.820 56.400 -0.222 0.000 0.959 649 E CB 0.139 29.722 29.700 -0.195 0.000 0.958 649 E HN 0.492 nan 8.360 nan 0.000 0.447 650 N N 1.483 120.082 118.700 -0.169 0.000 3.111 650 N HA 0.100 4.838 4.740 -0.003 0.000 0.200 650 N C -2.492 172.912 175.510 -0.177 0.000 1.464 650 N CA -0.766 52.181 53.050 -0.172 0.000 0.758 650 N CB 0.647 38.939 38.487 -0.326 0.000 1.548 650 N HN 0.123 nan 8.380 nan 0.000 0.595 651 P HA -0.144 nan 4.420 nan 0.000 0.219 651 P C 0.676 177.859 177.300 -0.196 0.000 1.144 651 P CA 0.921 63.810 63.100 -0.351 0.000 0.806 651 P CB 0.220 31.387 31.700 -0.889 0.000 0.771 652 c N -0.731 117.794 118.600 -0.125 0.000 2.675 652 c HA 0.003 4.571 4.570 -0.003 0.000 0.285 652 c C 2.393 176.475 174.090 -0.013 0.000 1.282 652 c CA 0.637 56.968 56.329 0.003 0.000 1.708 652 c CB -1.317 41.183 42.510 -0.016 0.000 2.134 652 c HN 0.218 nan 8.230 nan 0.000 0.494 653 K N 0.758 121.097 120.400 -0.101 0.000 2.442 653 K HA -0.118 4.200 4.320 -0.003 0.000 0.198 653 K C 0.854 177.392 176.600 -0.103 0.000 1.044 653 K CA 1.061 57.282 56.287 -0.109 0.000 0.948 653 K CB -0.180 32.221 32.500 -0.165 0.000 0.762 653 K HN 0.518 nan 8.250 nan 0.000 0.472 654 D N 0.843 121.174 120.400 -0.115 0.000 2.350 654 D HA -0.058 4.581 4.640 -0.003 0.000 0.213 654 D C -0.100 176.123 176.300 -0.128 0.000 1.031 654 D CA 0.358 54.286 54.000 -0.119 0.000 0.861 654 D CB 0.165 40.884 40.800 -0.135 0.000 0.926 654 D HN 0.201 nan 8.370 nan 0.000 0.520 655 K N 0.267 120.595 120.400 -0.121 0.000 3.156 655 K HA -0.215 4.103 4.320 -0.003 0.000 0.266 655 K C 0.208 176.602 176.600 -0.343 0.000 0.966 655 K CA 1.275 57.427 56.287 -0.226 0.000 0.719 655 K CB -3.108 29.296 32.500 -0.160 0.000 1.333 655 K HN 0.269 nan 8.250 nan 0.000 0.468 656 T N -3.002 111.365 114.554 -0.312 0.000 3.084 656 T HA 0.038 4.386 4.350 -0.003 0.000 0.270 656 T C 1.004 175.547 174.700 -0.261 0.000 1.008 656 T CA -0.097 61.847 62.100 -0.261 0.000 0.900 656 T CB -0.209 68.555 68.868 -0.173 0.000 1.084 656 T HN 0.594 nan 8.240 nan 0.000 0.538 657 H N 1.171 120.129 119.070 -0.186 0.000 2.408 657 H HA 0.402 4.957 4.556 -0.003 0.000 0.352 657 H C -0.662 174.654 175.328 -0.020 0.000 1.607 657 H CA -0.463 55.494 56.048 -0.151 0.000 1.445 657 H CB 0.456 30.114 29.762 -0.173 0.000 1.664 657 H HN 0.166 nan 8.280 nan 0.000 0.605 658 N N -0.178 118.706 118.700 0.307 0.000 2.642 658 N HA 0.223 4.962 4.740 -0.003 0.000 0.308 658 N C -1.213 174.442 175.510 0.242 0.000 1.914 658 N CA -0.400 52.776 53.050 0.210 0.000 0.893 658 N CB 0.439 38.993 38.487 0.111 0.000 1.322 658 N HN 0.366 nan 8.380 nan 0.000 0.490 659 c N 0.506 119.321 118.600 0.359 0.000 2.539 659 c HA 0.183 4.751 4.570 -0.003 0.000 0.392 659 c C 1.056 175.222 174.090 0.126 0.000 1.269 659 c CA -0.755 55.667 56.329 0.154 0.000 2.250 659 c CB -0.148 42.333 42.510 -0.049 0.000 2.584 659 c HN 0.505 nan 8.230 nan 0.000 0.589 660 H N 2.061 121.129 119.070 -0.002 0.000 2.929 660 H HA -0.020 4.534 4.556 -0.002 0.000 0.358 660 H C 1.156 176.423 175.328 -0.102 0.000 1.111 660 H CA 0.908 56.925 56.048 -0.052 0.000 1.409 660 H CB 0.780 30.504 29.762 -0.063 0.000 1.373 660 H HN 0.770 nan 8.280 nan 0.000 0.610 661 K N 2.406 122.487 120.400 -0.530 0.000 2.211 661 K HA -0.142 4.176 4.320 -0.003 0.000 0.204 661 K C 0.488 176.914 176.600 -0.290 0.000 1.047 661 K CA 1.555 57.596 56.287 -0.411 0.000 0.935 661 K CB 0.087 32.230 32.500 -0.595 0.000 0.728 661 K HN 0.501 nan 8.250 nan 0.000 0.452 662 H N 0.098 119.202 119.070 0.057 0.000 2.488 662 H HA 0.474 5.029 4.556 -0.003 0.000 0.294 662 H C -0.284 174.914 175.328 -0.217 0.000 1.088 662 H CA -0.267 55.617 56.048 -0.274 0.000 1.086 662 H CB 0.269 29.499 29.762 -0.886 0.000 1.569 662 H HN 0.325 nan 8.280 nan 0.000 0.548 663 A N 0.436 123.275 122.820 0.032 0.000 2.386 663 A HA 0.571 4.890 4.320 -0.003 0.000 0.308 663 A C -0.200 177.365 177.584 -0.032 0.000 1.128 663 A CA -0.755 51.281 52.037 -0.002 0.000 0.789 663 A CB 2.037 21.054 19.000 0.029 0.000 1.325 663 A HN 0.222 nan 8.150 nan 0.000 0.437 664 E N -0.138 120.031 120.200 -0.051 0.000 2.191 664 E HA 0.351 4.700 4.350 -0.003 0.000 0.274 664 E C -1.147 175.383 176.600 -0.118 0.000 0.948 664 E CA -0.539 55.817 56.400 -0.074 0.000 0.802 664 E CB 1.993 31.661 29.700 -0.052 0.000 1.137 664 E HN 0.587 nan 8.360 nan 0.000 0.397 665 c N 4.656 123.134 118.600 -0.203 0.000 2.482 665 c HA 0.356 4.925 4.570 -0.003 0.000 0.378 665 c C 0.042 174.116 174.090 -0.026 0.000 1.284 665 c CA -0.296 55.915 56.329 -0.197 0.000 1.826 665 c CB -1.276 40.963 42.510 -0.451 0.000 2.473 665 c HN 0.581 nan 8.230 nan 0.000 0.562 666 I N 7.279 127.882 120.570 0.056 0.000 2.359 666 I HA 0.179 4.347 4.170 -0.003 0.000 0.284 666 I C -0.509 175.704 176.117 0.161 0.000 1.018 666 I CA -0.546 60.803 61.300 0.081 0.000 1.173 666 I CB 0.612 38.632 38.000 0.033 0.000 1.326 666 I HN 0.642 nan 8.210 nan 0.000 0.462 667 Y N 6.942 127.263 120.300 0.035 0.000 2.544 667 Y HA 0.088 4.637 4.550 -0.002 0.000 0.330 667 Y C 0.553 176.471 175.900 0.031 0.000 1.136 667 Y CA 0.273 58.397 58.100 0.039 0.000 1.417 667 Y CB 0.747 39.208 38.460 0.002 0.000 1.229 667 Y HN 0.518 nan 8.280 nan 0.000 0.532 668 L N 5.438 126.424 121.223 -0.395 0.000 2.607 668 L HA 0.327 4.665 4.340 -0.003 0.000 0.228 668 L C 0.809 177.378 176.870 -0.501 0.000 1.123 668 L CA 0.539 55.178 54.840 -0.335 0.000 0.890 668 L CB -0.510 41.437 42.059 -0.186 0.000 1.103 668 L HN 1.011 nan 8.230 nan 0.000 0.468 669 G N -1.523 106.621 108.800 -1.094 0.000 2.617 669 G HA2 -0.208 3.751 3.960 -0.003 0.000 0.686 669 G HA3 -0.208 3.751 3.960 -0.003 0.000 0.686 669 G C 0.191 174.775 174.900 -0.526 0.000 1.214 669 G CA -0.305 44.371 45.100 -0.706 0.000 0.796 669 G HN 0.106 nan 8.290 nan 0.000 0.654 670 H N 0.801 119.709 119.070 -0.270 0.000 2.319 670 H HA -0.039 4.516 4.556 -0.003 0.000 0.299 670 H C 2.093 177.195 175.328 -0.375 0.000 1.092 670 H CA 2.285 58.158 56.048 -0.292 0.000 1.302 670 H CB 0.013 29.501 29.762 -0.457 0.000 1.373 670 H HN 0.459 nan 8.280 nan 0.000 0.497 671 F N 0.552 120.586 119.950 0.140 0.000 2.773 671 F HA 0.104 4.630 4.527 -0.003 0.000 0.304 671 F C 1.390 177.187 175.800 -0.005 0.000 1.129 671 F CA -0.138 57.928 58.000 0.111 0.000 1.378 671 F CB 0.191 39.252 39.000 0.101 0.000 1.095 671 F HN -0.051 nan 8.300 nan 0.000 0.565 672 S N 0.336 116.048 115.700 0.020 0.000 2.580 672 S HA 0.101 4.570 4.470 -0.003 0.000 0.274 672 S C -0.296 174.306 174.600 0.003 0.000 1.329 672 S CA -0.525 57.655 58.200 -0.033 0.000 1.036 672 S CB 0.331 63.449 63.200 -0.137 0.000 0.919 672 S HN 0.061 nan 8.310 nan 0.000 0.515 673 D N 4.723 125.137 120.400 0.024 0.000 2.461 673 D HA 0.410 5.048 4.640 -0.003 0.000 0.240 673 D C -2.198 174.097 176.300 -0.009 0.000 1.094 673 D CA -1.126 52.889 54.000 0.024 0.000 0.868 673 D CB 1.672 42.509 40.800 0.062 0.000 1.062 673 D HN 0.383 nan 8.370 nan 0.000 0.530 674 P HA 0.289 nan 4.420 nan 0.000 0.284 674 P C 0.758 178.022 177.300 -0.060 0.000 1.292 674 P CA -0.573 62.496 63.100 -0.052 0.000 0.800 674 P CB 1.494 33.125 31.700 -0.114 0.000 1.188 675 M N -1.076 118.522 119.600 -0.002 0.000 2.557 675 M HA 0.016 4.495 4.480 -0.003 0.000 0.259 675 M C 0.084 176.432 176.300 0.081 0.000 1.086 675 M CA 1.422 56.715 55.300 -0.011 0.000 1.096 675 M CB -0.395 32.220 32.600 0.025 0.000 1.424 675 M HN 0.418 nan 8.290 nan 0.000 0.488 676 Y N -1.273 118.989 120.300 -0.064 0.000 2.677 676 Y HA 0.599 5.148 4.550 -0.002 0.000 0.334 676 Y C -1.595 174.290 175.900 -0.025 0.000 1.196 676 Y CA -1.952 56.131 58.100 -0.029 0.000 1.059 676 Y CB 0.837 39.319 38.460 0.037 0.000 1.315 676 Y HN -0.037 nan 8.280 nan 0.000 0.455 677 K N 0.650 120.967 120.400 -0.138 0.000 2.533 677 K HA 0.847 5.165 4.320 -0.003 0.000 0.272 677 K C -1.960 174.624 176.600 -0.028 0.000 0.985 677 K CA -0.792 55.359 56.287 -0.228 0.000 0.876 677 K CB 1.944 34.359 32.500 -0.142 0.000 1.452 677 K HN 0.772 nan 8.250 nan 0.000 0.439 678 c N 1.132 119.705 118.600 -0.045 0.000 2.319 678 c HA 0.494 5.062 4.570 -0.003 0.000 0.335 678 c C -0.579 173.497 174.090 -0.023 0.000 1.274 678 c CA -0.390 55.933 56.329 -0.009 0.000 1.806 678 c CB 0.004 42.526 42.510 0.021 0.000 2.329 678 c HN 0.782 nan 8.230 nan 0.000 0.524 679 E N 0.815 120.996 120.200 -0.031 0.000 2.248 679 E HA 0.330 4.679 4.350 -0.003 0.000 0.267 679 E C -0.943 175.629 176.600 -0.046 0.000 0.877 679 E CA -0.487 55.888 56.400 -0.042 0.000 0.759 679 E CB 1.533 31.201 29.700 -0.053 0.000 1.182 679 E HN 0.700 nan 8.360 nan 0.000 0.418 680 c N 3.092 121.660 118.600 -0.053 0.000 2.642 680 c HA 0.014 4.582 4.570 -0.003 0.000 0.420 680 c C 0.776 174.853 174.090 -0.022 0.000 1.349 680 c CA -0.275 56.031 56.329 -0.038 0.000 1.821 680 c CB -0.596 41.893 42.510 -0.036 0.000 2.637 680 c HN 0.656 nan 8.230 nan 0.000 0.605 681 Q N 1.284 121.101 119.800 0.029 0.000 2.443 681 Q HA 0.189 4.528 4.340 -0.003 0.000 0.232 681 Q C 0.322 176.385 176.000 0.104 0.000 1.026 681 Q CA -0.028 55.809 55.803 0.056 0.000 0.924 681 Q CB 0.223 29.023 28.738 0.102 0.000 1.256 681 Q HN 0.704 nan 8.270 nan 0.000 0.519 682 T N 1.223 115.742 114.554 -0.058 0.000 2.822 682 T HA 0.202 4.550 4.350 -0.003 0.000 0.288 682 T C 1.062 175.718 174.700 -0.074 0.000 0.991 682 T CA 0.969 62.983 62.100 -0.143 0.000 1.176 682 T CB -0.112 68.513 68.868 -0.405 0.000 0.951 682 T HN 0.938 nan 8.240 nan 0.000 0.526 683 G N 2.312 111.012 108.800 -0.167 0.000 2.231 683 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.206 683 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.206 683 G C -0.245 174.293 174.900 -0.603 0.000 0.996 683 G CA -0.550 44.319 45.100 -0.385 0.000 0.645 683 G HN 0.676 nan 8.290 nan 0.000 0.498 684 Y N 0.361 120.593 120.300 -0.113 0.000 2.633 684 Y HA 0.812 5.360 4.550 -0.003 0.000 0.339 684 Y C 0.408 176.225 175.900 -0.138 0.000 1.045 684 Y CA -0.404 57.628 58.100 -0.113 0.000 1.098 684 Y CB 2.194 40.596 38.460 -0.096 0.000 1.296 684 Y HN 0.707 nan 8.280 nan 0.000 0.494 685 A N 0.132 122.974 122.820 0.037 0.000 2.594 685 A HA 0.904 5.223 4.320 -0.003 0.000 0.295 685 A C -0.423 177.131 177.584 -0.050 0.000 1.071 685 A CA 0.001 51.993 52.037 -0.075 0.000 0.685 685 A CB 1.559 20.492 19.000 -0.111 0.000 1.285 685 A HN 1.399 nan 8.150 nan 0.000 0.405 686 G N 0.297 109.064 108.800 -0.055 0.000 2.368 686 G HA2 0.432 4.390 3.960 -0.003 0.000 0.269 686 G HA3 0.432 4.390 3.960 -0.003 0.000 0.269 686 G C -0.455 174.459 174.900 0.024 0.000 1.291 686 G CA 0.611 45.703 45.100 -0.013 0.000 0.903 686 G HN 1.153 nan 8.290 nan 0.000 0.483 687 D N -0.925 119.481 120.400 0.010 0.000 2.354 687 D HA 0.386 5.025 4.640 -0.003 0.000 0.209 687 D C 1.673 177.979 176.300 0.011 0.000 1.015 687 D CA 1.341 55.353 54.000 0.020 0.000 0.867 687 D CB 0.466 41.267 40.800 0.002 0.000 0.933 687 D HN 2.068 nan 8.370 nan 0.000 0.520 688 G N 0.283 109.083 108.800 0.000 0.000 2.316 688 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.203 688 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.203 688 G C 1.020 175.952 174.900 0.052 0.000 0.999 688 G CA 0.186 45.292 45.100 0.010 0.000 0.649 688 G HN 0.338 nan 8.290 nan 0.000 0.489 689 L N -0.198 121.058 121.223 0.055 0.000 2.307 689 L HA 0.571 4.909 4.340 -0.003 0.000 0.211 689 L C 0.942 177.905 176.870 0.156 0.000 1.099 689 L CA 0.609 55.508 54.840 0.099 0.000 0.816 689 L CB 0.297 42.397 42.059 0.068 0.000 0.952 689 L HN 0.321 nan 8.230 nan 0.000 0.455 690 I N -0.576 120.022 120.570 0.047 0.000 2.534 690 I HA 0.389 4.558 4.170 -0.003 0.000 0.288 690 I C -1.287 174.670 176.117 -0.266 0.000 1.077 690 I CA -0.360 60.903 61.300 -0.062 0.000 1.051 690 I CB 1.598 39.605 38.000 0.011 0.000 1.234 690 I HN -0.127 nan 8.210 nan 0.000 0.425 691 c N 5.492 123.681 118.600 -0.685 0.000 2.498 691 c HA 0.970 5.538 4.570 -0.003 0.000 0.316 691 c C 0.526 174.480 174.090 -0.226 0.000 1.209 691 c CA -0.439 55.648 56.329 -0.404 0.000 1.518 691 c CB 0.628 42.888 42.510 -0.417 0.000 2.147 691 c HN 0.975 nan 8.230 nan 0.000 0.483 692 G N 1.096 109.895 108.800 -0.001 0.000 3.013 692 G HA2 0.628 4.587 3.960 -0.003 0.000 0.278 692 G HA3 0.628 4.587 3.960 -0.003 0.000 0.278 692 G C -1.061 173.918 174.900 0.131 0.000 1.353 692 G CA -0.259 44.892 45.100 0.085 0.000 1.043 692 G HN 0.673 nan 8.290 nan 0.000 0.523 693 E N 0.416 120.645 120.200 0.049 0.000 2.384 693 E HA 0.174 4.522 4.350 -0.003 0.000 0.266 693 E C -1.042 175.496 176.600 -0.103 0.000 1.012 693 E CA 0.271 56.618 56.400 -0.088 0.000 0.901 693 E CB 1.876 31.524 29.700 -0.085 0.000 0.967 693 E HN 0.439 nan 8.360 nan 0.000 0.435 694 D N 1.177 121.468 120.400 -0.182 0.000 2.363 694 D HA 0.058 4.697 4.640 -0.003 0.000 0.258 694 D C 0.542 176.742 176.300 -0.165 0.000 1.259 694 D CA -0.336 53.581 54.000 -0.138 0.000 0.921 694 D CB 0.321 41.053 40.800 -0.114 0.000 1.201 694 D HN 0.197 nan 8.370 nan 0.000 0.524 695 S N 1.790 117.398 115.700 -0.153 0.000 2.470 695 S HA -0.103 4.366 4.470 -0.003 0.000 0.225 695 S C 1.097 175.637 174.600 -0.101 0.000 1.006 695 S CA 0.510 58.630 58.200 -0.133 0.000 0.934 695 S CB 0.009 63.141 63.200 -0.113 0.000 0.778 695 S HN 0.424 nan 8.310 nan 0.000 0.517 696 D N 1.445 121.774 120.400 -0.118 0.000 2.363 696 D HA 0.135 4.774 4.640 -0.003 0.000 0.214 696 D C 0.788 177.030 176.300 -0.096 0.000 1.093 696 D CA -0.279 53.647 54.000 -0.124 0.000 0.837 696 D CB -0.793 39.885 40.800 -0.203 0.000 0.948 696 D HN 0.443 nan 8.370 nan 0.000 0.507 697 L N 0.644 121.817 121.223 -0.084 0.000 4.001 697 L HA -0.253 4.086 4.340 -0.003 0.000 0.413 697 L C -0.239 176.596 176.870 -0.060 0.000 1.185 697 L CA 0.920 55.714 54.840 -0.077 0.000 0.963 697 L CB -1.662 40.368 42.059 -0.048 0.000 1.976 697 L HN 0.238 nan 8.230 nan 0.000 0.939 698 D N -0.718 119.670 120.400 -0.020 0.000 2.388 698 D HA 0.322 4.961 4.640 -0.003 0.000 0.221 698 D C 1.489 177.843 176.300 0.090 0.000 1.133 698 D CA 0.485 54.523 54.000 0.063 0.000 0.831 698 D CB 0.468 41.339 40.800 0.118 0.000 0.962 698 D HN 0.401 nan 8.370 nan 0.000 0.502 699 G N -0.450 108.297 108.800 -0.088 0.000 2.212 699 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.266 699 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.266 699 G C -0.360 174.305 174.900 -0.392 0.000 0.978 699 G CA 0.196 45.090 45.100 -0.342 0.000 0.632 699 G HN 0.302 nan 8.290 nan 0.000 0.537 700 W N 2.054 123.347 121.300 -0.011 0.000 2.478 700 W HA 0.621 5.279 4.660 -0.003 0.000 0.318 700 W C -1.582 174.920 176.519 -0.029 0.000 1.062 700 W CA -2.209 55.150 57.345 0.023 0.000 1.210 700 W CB 1.492 30.964 29.460 0.021 0.000 1.325 700 W HN -0.015 nan 8.180 nan 0.000 0.496 701 P HA 0.215 nan 4.420 nan 0.000 0.284 701 P C 0.214 177.550 177.300 0.060 0.000 1.292 701 P CA -0.309 62.832 63.100 0.069 0.000 0.800 701 P CB 1.499 33.232 31.700 0.055 0.000 1.188 702 S N -1.140 114.564 115.700 0.007 0.000 2.470 702 S HA 0.137 4.605 4.470 -0.003 0.000 0.225 702 S C 0.859 175.462 174.600 0.006 0.000 1.006 702 S CA 0.535 58.723 58.200 -0.020 0.000 0.934 702 S CB -0.400 62.769 63.200 -0.052 0.000 0.778 702 S HN 0.316 nan 8.310 nan 0.000 0.517 703 L N 1.115 122.355 121.223 0.028 0.000 2.409 703 L HA 0.407 4.745 4.340 -0.003 0.000 0.255 703 L C -0.735 176.165 176.870 0.051 0.000 1.027 703 L CA -1.054 53.806 54.840 0.033 0.000 0.834 703 L CB 1.300 43.375 42.059 0.026 0.000 1.426 703 L HN -0.004 nan 8.230 nan 0.000 0.411 704 N N 1.915 120.644 118.700 0.049 0.000 2.454 704 N HA 0.328 5.066 4.740 -0.003 0.000 0.254 704 N C -0.977 174.559 175.510 0.044 0.000 1.228 704 N CA 0.099 53.182 53.050 0.055 0.000 0.900 704 N CB 0.967 39.481 38.487 0.044 0.000 1.089 704 N HN 0.300 nan 8.380 nan 0.000 0.449 705 L N 0.255 121.504 121.223 0.044 0.000 2.313 705 L HA 0.289 4.628 4.340 -0.003 0.000 0.268 705 L C 1.719 178.606 176.870 0.029 0.000 1.010 705 L CA -1.010 53.850 54.840 0.033 0.000 0.814 705 L CB 1.389 43.462 42.059 0.024 0.000 1.304 705 L HN 0.316 nan 8.230 nan 0.000 0.441 706 V N -2.730 117.201 119.914 0.027 0.000 3.244 706 V HA -0.207 3.911 4.120 -0.003 0.000 0.273 706 V C 1.489 177.594 176.094 0.019 0.000 1.180 706 V CA 1.374 63.688 62.300 0.024 0.000 1.182 706 V CB -1.120 30.719 31.823 0.027 0.000 0.796 706 V HN 0.995 nan 8.190 nan 0.000 0.543 707 c N -0.286 118.325 118.600 0.018 0.000 2.697 707 c HA 0.583 5.152 4.570 -0.003 0.000 0.267 707 c C 2.736 176.831 174.090 0.009 0.000 1.278 707 c CA 0.126 56.462 56.329 0.011 0.000 1.708 707 c CB -1.485 41.030 42.510 0.009 0.000 1.860 707 c HN 0.757 nan 8.230 nan 0.000 0.589 708 A N 1.421 124.251 122.820 0.017 0.000 1.834 708 A HA -0.198 4.121 4.320 -0.003 0.000 0.216 708 A C 2.380 179.967 177.584 0.005 0.000 1.203 708 A CA 2.893 54.942 52.037 0.021 0.000 0.621 708 A CB -1.445 17.570 19.000 0.025 0.000 0.841 708 A HN 0.688 nan 8.150 nan 0.000 0.446 709 T N -1.738 112.815 114.554 -0.001 0.000 3.067 709 T HA -0.057 4.292 4.350 -0.003 0.000 0.261 709 T C 1.062 175.748 174.700 -0.023 0.000 1.110 709 T CA 1.056 63.149 62.100 -0.011 0.000 1.113 709 T CB -0.378 68.486 68.868 -0.007 0.000 0.917 709 T HN 0.629 nan 8.240 nan 0.000 0.499 710 N N 1.779 120.466 118.700 -0.022 0.000 2.235 710 N HA 0.368 5.106 4.740 -0.003 0.000 0.209 710 N C -0.133 175.350 175.510 -0.044 0.000 1.122 710 N CA -0.257 52.776 53.050 -0.028 0.000 0.845 710 N CB 0.339 38.816 38.487 -0.017 0.000 1.004 710 N HN 0.569 nan 8.380 nan 0.000 0.499 711 A N -0.811 121.975 122.820 -0.057 0.000 2.475 711 A HA 0.528 4.847 4.320 -0.003 0.000 0.301 711 A C 0.797 178.291 177.584 -0.150 0.000 1.059 711 A CA -0.239 51.743 52.037 -0.091 0.000 0.710 711 A CB 1.176 20.137 19.000 -0.066 0.000 1.288 711 A HN 0.100 nan 8.150 nan 0.000 0.408 712 T N 0.243 114.636 114.554 -0.269 0.000 2.770 712 T HA 0.152 4.501 4.350 -0.003 0.000 0.258 712 T C 0.610 174.976 174.700 -0.557 0.000 1.039 712 T CA 1.443 63.248 62.100 -0.492 0.000 1.143 712 T CB -0.406 68.005 68.868 -0.761 0.000 0.866 712 T HN 0.534 nan 8.240 nan 0.000 0.428 713 Y N -0.629 119.507 120.300 -0.273 0.000 2.679 713 Y HA 0.468 5.016 4.550 -0.003 0.000 0.331 713 Y C 1.287 176.793 175.900 -0.657 0.000 1.183 713 Y CA -0.843 56.903 58.100 -0.589 0.000 1.290 713 Y CB 0.459 38.261 38.460 -1.096 0.000 1.489 713 Y HN 0.141 nan 8.280 nan 0.000 0.583 714 H N -2.454 116.119 119.070 -0.829 0.000 3.056 714 H HA -0.225 4.329 4.556 -0.003 0.000 0.281 714 H C 0.276 175.473 175.328 -0.218 0.000 1.097 714 H CA 0.860 56.513 56.048 -0.657 0.000 1.182 714 H CB -1.953 27.563 29.762 -0.410 0.000 1.312 714 H HN 0.633 nan 8.280 nan 0.000 0.338 715 c N 0.080 118.696 118.600 0.027 0.000 3.386 715 c HA 0.478 5.046 4.570 -0.003 0.000 0.279 715 c C 1.148 175.325 174.090 0.144 0.000 1.508 715 c CA -0.425 55.950 56.329 0.078 0.000 1.801 715 c CB 0.095 42.623 42.510 0.030 0.000 2.798 715 c HN 0.236 nan 8.230 nan 0.000 0.605 716 I N 1.040 121.781 120.570 0.284 0.000 2.569 716 I HA 0.256 4.424 4.170 -0.003 0.000 0.296 716 I C 0.150 176.421 176.117 0.256 0.000 1.028 716 I CA -0.552 60.896 61.300 0.246 0.000 1.082 716 I CB 1.350 39.496 38.000 0.243 0.000 1.264 716 I HN -0.012 nan 8.210 nan 0.000 0.429 717 K N 4.224 124.700 120.400 0.127 0.000 2.473 717 K HA -0.106 4.213 4.320 -0.003 0.000 0.277 717 K C -0.093 176.543 176.600 0.060 0.000 1.052 717 K CA 0.033 56.370 56.287 0.083 0.000 1.114 717 K CB 0.225 32.745 32.500 0.033 0.000 0.869 717 K HN 0.469 nan 8.250 nan 0.000 0.481 718 D N 3.432 123.880 120.400 0.081 0.000 2.520 718 D HA -0.098 4.541 4.640 -0.003 0.000 0.243 718 D C 0.639 176.901 176.300 -0.064 0.000 1.160 718 D CA 0.202 54.211 54.000 0.016 0.000 0.877 718 D CB 0.522 41.343 40.800 0.035 0.000 1.150 718 D HN 0.654 nan 8.370 nan 0.000 0.494 719 N N 2.071 120.693 118.700 -0.130 0.000 2.461 719 N HA -0.047 4.692 4.740 -0.003 0.000 0.188 719 N C -0.375 175.087 175.510 -0.081 0.000 1.134 719 N CA -0.053 52.933 53.050 -0.106 0.000 0.878 719 N CB 0.051 38.458 38.487 -0.133 0.000 0.972 719 N HN 0.128 nan 8.380 nan 0.000 0.456 720 c N 0.776 119.323 118.600 -0.088 0.000 3.287 720 c HA 0.377 4.946 4.570 -0.003 0.000 0.260 720 c C -1.700 172.332 174.090 -0.098 0.000 1.133 720 c CA -1.078 55.209 56.329 -0.070 0.000 1.402 720 c CB 1.202 43.670 42.510 -0.069 0.000 1.832 720 c HN 0.173 nan 8.230 nan 0.000 0.509 721 P HA -0.149 nan 4.420 nan 0.000 0.218 721 P C 1.045 178.101 177.300 -0.406 0.000 1.148 721 P CA 1.647 64.588 63.100 -0.266 0.000 0.822 721 P CB 0.033 31.529 31.700 -0.340 0.000 0.784 722 H N -2.585 116.428 119.070 -0.094 0.000 2.705 722 H HA 0.290 4.844 4.556 -0.003 0.000 0.269 722 H C 0.343 175.537 175.328 -0.223 0.000 0.998 722 H CA -0.182 55.798 56.048 -0.113 0.000 1.193 722 H CB 0.603 30.323 29.762 -0.070 0.000 1.485 722 H HN 0.099 nan 8.280 nan 0.000 0.521 723 L N 2.406 123.515 121.223 -0.190 0.000 2.349 723 L HA 0.438 4.776 4.340 -0.003 0.000 0.278 723 L C -2.806 173.835 176.870 -0.381 0.000 0.996 723 L CA -2.080 52.514 54.840 -0.410 0.000 0.825 723 L CB 1.880 43.786 42.059 -0.254 0.000 1.243 723 L HN -0.277 nan 8.230 nan 0.000 0.412 724 P HA 0.192 nan 4.420 nan 0.000 0.262 724 P C -1.312 175.960 177.300 -0.046 0.000 1.199 724 P CA 0.274 63.230 63.100 -0.240 0.000 0.763 724 P CB 0.228 31.785 31.700 -0.237 0.000 0.790 725 N N 0.962 119.667 118.700 0.008 0.000 2.751 725 N HA 0.005 4.744 4.740 -0.003 0.000 0.234 725 N C 0.035 175.563 175.510 0.030 0.000 1.403 725 N CA -0.496 52.583 53.050 0.047 0.000 0.747 725 N CB -0.129 38.359 38.487 0.003 0.000 1.326 725 N HN 0.151 nan 8.380 nan 0.000 0.532 726 S N -1.146 114.651 115.700 0.161 0.000 2.555 726 S HA 0.045 4.514 4.470 -0.003 0.000 0.230 726 S C 1.631 176.152 174.600 -0.131 0.000 0.978 726 S CA 0.776 59.154 58.200 0.297 0.000 0.934 726 S CB -0.222 63.286 63.200 0.513 0.000 0.766 726 S HN 0.490 nan 8.310 nan 0.000 0.533 727 G N 0.352 109.040 108.800 -0.187 0.000 2.494 727 G HA2 0.029 3.988 3.960 -0.003 0.000 0.216 727 G HA3 0.029 3.988 3.960 -0.003 0.000 0.216 727 G C 0.654 175.350 174.900 -0.340 0.000 1.140 727 G CA 0.264 45.151 45.100 -0.354 0.000 0.801 727 G HN 0.404 nan 8.290 nan 0.000 0.536 728 Q N -0.401 119.187 119.800 -0.354 0.000 2.439 728 Q HA -0.178 4.160 4.340 -0.003 0.000 0.247 728 Q C -0.392 175.451 176.000 -0.262 0.000 0.899 728 Q CA 1.128 56.657 55.803 -0.458 0.000 1.201 728 Q CB -1.676 26.497 28.738 -0.942 0.000 1.608 728 Q HN 0.670 nan 8.270 nan 0.000 0.563 729 E N 1.401 121.518 120.200 -0.137 0.000 2.585 729 E HA 0.117 4.465 4.350 -0.003 0.000 0.252 729 E C 0.078 176.660 176.600 -0.031 0.000 0.981 729 E CA 0.581 56.953 56.400 -0.046 0.000 0.943 729 E CB 0.293 30.004 29.700 0.018 0.000 0.923 729 E HN 0.092 nan 8.360 nan 0.000 0.486 730 D N 3.406 123.797 120.400 -0.014 0.000 2.346 730 D HA 0.085 4.723 4.640 -0.003 0.000 0.255 730 D C -0.334 176.000 176.300 0.057 0.000 1.276 730 D CA -0.568 53.438 54.000 0.011 0.000 0.941 730 D CB -0.083 40.689 40.800 -0.047 0.000 1.199 730 D HN 0.293 nan 8.370 nan 0.000 0.537 731 F N 2.925 122.865 119.950 -0.016 0.000 2.075 731 F HA -0.132 4.394 4.527 -0.002 0.000 0.297 731 F C 1.727 177.530 175.800 0.006 0.000 1.113 731 F CA 2.097 60.097 58.000 -0.001 0.000 1.218 731 F CB 0.211 39.218 39.000 0.012 0.000 0.984 731 F HN 0.361 nan 8.300 nan 0.000 0.472 732 D N -1.154 119.273 120.400 0.045 0.000 2.363 732 D HA -0.101 4.538 4.640 -0.003 0.000 0.220 732 D C 0.709 176.958 176.300 -0.085 0.000 0.994 732 D CA 0.472 54.444 54.000 -0.046 0.000 0.890 732 D CB -0.326 40.544 40.800 0.117 0.000 0.906 732 D HN 0.173 nan 8.370 nan 0.000 0.530 733 K N 0.048 120.403 120.400 -0.076 0.000 3.281 733 K HA -0.160 4.158 4.320 -0.003 0.000 0.295 733 K C -0.148 176.424 176.600 -0.047 0.000 1.233 733 K CA 1.175 57.416 56.287 -0.077 0.000 0.866 733 K CB -2.212 30.222 32.500 -0.110 0.000 1.265 733 K HN 0.635 nan 8.250 nan 0.000 0.482 734 D N -0.394 119.992 120.400 -0.023 0.000 2.352 734 D HA 0.248 4.887 4.640 -0.003 0.000 0.236 734 D C 1.232 177.522 176.300 -0.018 0.000 1.148 734 D CA 0.676 54.668 54.000 -0.014 0.000 0.844 734 D CB -0.061 40.742 40.800 0.004 0.000 0.933 734 D HN 0.372 nan 8.370 nan 0.000 0.507 735 G N 0.235 109.017 108.800 -0.030 0.000 2.257 735 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.267 735 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.267 735 G C 0.255 175.133 174.900 -0.036 0.000 0.984 735 G CA 0.344 45.422 45.100 -0.037 0.000 0.626 735 G HN 0.491 nan 8.290 nan 0.000 0.540 736 I N 2.523 123.080 120.570 -0.022 0.000 2.301 736 I HA 0.458 4.626 4.170 -0.003 0.000 0.292 736 I C 1.415 177.522 176.117 -0.018 0.000 1.046 736 I CA -0.219 61.071 61.300 -0.018 0.000 1.282 736 I CB 0.930 38.929 38.000 -0.002 0.000 1.409 736 I HN 0.160 nan 8.210 nan 0.000 0.484 737 G N 3.951 112.729 108.800 -0.036 0.000 2.594 737 G HA2 0.000 3.959 3.960 -0.003 0.000 0.243 737 G HA3 0.000 3.959 3.960 -0.003 0.000 0.243 737 G C 0.562 175.461 174.900 -0.002 0.000 1.229 737 G CA -0.340 44.737 45.100 -0.038 0.000 0.843 737 G HN 0.641 nan 8.290 nan 0.000 0.578 738 D N 1.314 121.724 120.400 0.016 0.000 2.133 738 D HA -0.185 4.453 4.640 -0.003 0.000 0.195 738 D C 2.684 179.006 176.300 0.037 0.000 0.997 738 D CA 1.762 55.786 54.000 0.039 0.000 0.840 738 D CB -0.390 40.440 40.800 0.050 0.000 0.947 738 D HN 0.444 nan 8.370 nan 0.000 0.452 739 A N 0.417 123.260 122.820 0.038 0.000 1.978 739 A HA -0.178 4.141 4.320 -0.003 0.000 0.220 739 A C 2.208 179.824 177.584 0.054 0.000 1.170 739 A CA 1.790 53.870 52.037 0.071 0.000 0.636 739 A CB -0.535 18.517 19.000 0.087 0.000 0.810 739 A HN 0.531 nan 8.150 nan 0.000 0.448 740 c N -2.339 116.275 118.600 0.022 0.000 3.255 740 c HA 0.410 4.979 4.570 -0.003 0.000 0.282 740 c C 0.096 174.194 174.090 0.013 0.000 1.441 740 c CA -0.882 55.455 56.329 0.013 0.000 1.785 740 c CB -0.957 41.550 42.510 -0.005 0.000 2.583 740 c HN 0.426 nan 8.230 nan 0.000 0.615 741 D N 1.704 122.116 120.400 0.020 0.000 2.249 741 D HA 0.181 4.820 4.640 -0.003 0.000 0.246 741 D C 0.315 176.628 176.300 0.021 0.000 1.114 741 D CA 0.381 54.393 54.000 0.021 0.000 0.854 741 D CB 1.172 41.990 40.800 0.030 0.000 1.132 741 D HN 0.174 nan 8.370 nan 0.000 0.461 742 D N 1.506 121.916 120.400 0.016 0.000 2.264 742 D HA -0.097 4.541 4.640 -0.003 0.000 0.208 742 D C -0.040 176.267 176.300 0.010 0.000 0.966 742 D CA 1.013 55.020 54.000 0.011 0.000 0.864 742 D CB 0.253 41.057 40.800 0.006 0.000 0.933 742 D HN 0.420 nan 8.370 nan 0.000 0.499 743 D N -0.504 119.906 120.400 0.017 0.000 2.336 743 D HA 0.088 4.726 4.640 -0.003 0.000 0.248 743 D C -0.478 175.848 176.300 0.044 0.000 1.326 743 D CA -0.427 53.583 54.000 0.018 0.000 0.973 743 D CB 0.785 41.591 40.800 0.011 0.000 1.255 743 D HN -0.325 nan 8.370 nan 0.000 0.558 744 D N 2.055 122.482 120.400 0.045 0.000 2.378 744 D HA -0.012 4.627 4.640 -0.003 0.000 0.227 744 D C 0.442 176.852 176.300 0.183 0.000 1.012 744 D CA 0.649 54.701 54.000 0.086 0.000 0.905 744 D CB 0.304 41.130 40.800 0.043 0.000 0.895 744 D HN 0.622 nan 8.370 nan 0.000 0.532 745 D N -2.213 118.283 120.400 0.160 0.000 2.516 745 D HA -0.033 4.605 4.640 -0.003 0.000 0.241 745 D C 0.050 176.485 176.300 0.225 0.000 1.246 745 D CA -0.325 53.838 54.000 0.272 0.000 0.808 745 D CB -0.383 40.556 40.800 0.231 0.000 1.147 745 D HN -0.282 nan 8.370 nan 0.000 0.527 746 N N 1.640 120.421 118.700 0.135 0.000 2.721 746 N HA -0.171 4.568 4.740 -0.003 0.000 0.249 746 N C -0.121 175.469 175.510 0.134 0.000 1.072 746 N CA 1.408 54.532 53.050 0.123 0.000 0.710 746 N CB -1.189 37.380 38.487 0.137 0.000 0.993 746 N HN 0.671 nan 8.380 nan 0.000 0.547 747 D N -1.914 118.460 120.400 -0.043 0.000 2.340 747 D HA 0.276 4.914 4.640 -0.003 0.000 0.217 747 D C 1.443 177.608 176.300 -0.226 0.000 1.081 747 D CA 0.675 54.443 54.000 -0.387 0.000 0.842 747 D CB -0.216 40.017 40.800 -0.946 0.000 0.934 747 D HN 0.394 nan 8.370 nan 0.000 0.511 748 G N -0.401 108.347 108.800 -0.086 0.000 2.234 748 G HA2 -0.273 3.686 3.960 -0.003 0.000 0.260 748 G HA3 -0.273 3.686 3.960 -0.003 0.000 0.260 748 G C 0.187 175.049 174.900 -0.062 0.000 0.987 748 G CA 0.268 45.337 45.100 -0.052 0.000 0.625 748 G HN 0.405 nan 8.290 nan 0.000 0.532 749 V N 2.539 122.397 119.914 -0.093 0.000 2.339 749 V HA 0.441 4.560 4.120 -0.003 0.000 0.261 749 V C 1.192 177.255 176.094 -0.051 0.000 1.058 749 V CA 0.150 62.405 62.300 -0.074 0.000 0.897 749 V CB 0.801 32.567 31.823 -0.095 0.000 1.052 749 V HN 0.314 nan 8.190 nan 0.000 0.480 750 T N 4.538 119.072 114.554 -0.033 0.000 2.867 750 T HA -0.074 4.274 4.350 -0.003 0.000 0.290 750 T C 1.137 175.824 174.700 -0.022 0.000 1.025 750 T CA 0.695 62.783 62.100 -0.020 0.000 1.146 750 T CB 0.069 68.929 68.868 -0.013 0.000 1.024 750 T HN 1.039 nan 8.240 nan 0.000 0.519 751 D N 2.411 122.802 120.400 -0.016 0.000 2.378 751 D HA -0.038 4.600 4.640 -0.003 0.000 0.227 751 D C 1.227 177.517 176.300 -0.016 0.000 1.012 751 D CA 0.560 54.548 54.000 -0.020 0.000 0.905 751 D CB 0.047 40.837 40.800 -0.017 0.000 0.895 751 D HN 0.581 nan 8.370 nan 0.000 0.532 752 E N 0.119 120.313 120.200 -0.010 0.000 2.299 752 E HA 0.054 4.402 4.350 -0.003 0.000 0.193 752 E C 1.320 177.913 176.600 -0.012 0.000 0.998 752 E CA 0.691 57.087 56.400 -0.007 0.000 0.851 752 E CB 0.148 29.848 29.700 -0.000 0.000 0.795 752 E HN 0.296 nan 8.360 nan 0.000 0.492 753 K N 0.238 120.628 120.400 -0.017 0.000 2.353 753 K HA 0.072 4.391 4.320 -0.003 0.000 0.195 753 K C -0.019 176.565 176.600 -0.028 0.000 1.031 753 K CA -0.067 56.208 56.287 -0.019 0.000 1.079 753 K CB 0.594 33.083 32.500 -0.019 0.000 0.857 753 K HN -0.046 nan 8.250 nan 0.000 0.535 754 D N 1.785 122.165 120.400 -0.034 0.000 2.295 754 D HA -0.002 4.637 4.640 -0.003 0.000 0.248 754 D C 0.164 176.438 176.300 -0.043 0.000 1.154 754 D CA -0.167 53.805 54.000 -0.047 0.000 0.857 754 D CB 0.825 41.591 40.800 -0.058 0.000 1.117 754 D HN 0.120 nan 8.370 nan 0.000 0.468 755 N N 1.756 120.431 118.700 -0.041 0.000 2.461 755 N HA -0.026 4.713 4.740 -0.003 0.000 0.188 755 N C -0.190 175.293 175.510 -0.045 0.000 1.134 755 N CA -0.095 52.933 53.050 -0.036 0.000 0.878 755 N CB -0.002 38.468 38.487 -0.027 0.000 0.972 755 N HN 0.097 nan 8.380 nan 0.000 0.456 756 c N 0.823 119.389 118.600 -0.056 0.000 3.421 756 c HA 0.290 4.858 4.570 -0.003 0.000 0.194 756 c C 1.419 175.454 174.090 -0.092 0.000 1.418 756 c CA -0.792 55.496 56.329 -0.068 0.000 1.226 756 c CB -0.489 41.988 42.510 -0.054 0.000 1.875 756 c HN 0.386 nan 8.230 nan 0.000 0.561 757 Q N 0.547 120.290 119.800 -0.093 0.000 2.142 757 Q HA -0.192 4.147 4.340 -0.003 0.000 0.213 757 Q C 0.961 176.857 176.000 -0.174 0.000 1.004 757 Q CA 1.482 57.223 55.803 -0.104 0.000 0.883 757 Q CB 0.069 28.755 28.738 -0.087 0.000 0.939 757 Q HN 0.722 nan 8.270 nan 0.000 0.413 758 L N 0.509 121.559 121.223 -0.289 0.000 2.912 758 L HA 0.302 4.641 4.340 -0.003 0.000 0.240 758 L C -0.574 175.915 176.870 -0.635 0.000 1.262 758 L CA -0.323 54.116 54.840 -0.668 0.000 1.058 758 L CB 0.325 41.923 42.059 -0.768 0.000 1.383 758 L HN 0.077 nan 8.230 nan 0.000 0.512 759 L N -0.896 120.208 121.223 -0.199 0.000 2.505 759 L HA 0.420 4.758 4.340 -0.003 0.000 0.259 759 L C -0.929 176.016 176.870 0.126 0.000 0.952 759 L CA -0.268 54.594 54.840 0.036 0.000 0.840 759 L CB 2.606 44.676 42.059 0.019 0.000 1.358 759 L HN -0.136 nan 8.230 nan 0.000 0.409 760 F N 5.448 125.456 119.950 0.096 0.000 2.502 760 F HA 0.389 4.914 4.527 -0.003 0.000 0.371 760 F C 0.117 175.941 175.800 0.039 0.000 1.083 760 F CA 0.225 58.267 58.000 0.071 0.000 1.174 760 F CB 0.228 39.275 39.000 0.079 0.000 1.096 760 F HN 0.571 nan 8.300 nan 0.000 0.545 761 N N 6.662 125.222 118.700 -0.233 0.000 3.153 761 N HA 0.143 4.881 4.740 -0.003 0.000 0.208 761 N C -2.887 172.503 175.510 -0.201 0.000 1.462 761 N CA -1.346 51.641 53.050 -0.106 0.000 0.754 761 N CB 0.683 39.159 38.487 -0.018 0.000 1.558 761 N HN 0.206 nan 8.380 nan 0.000 0.605 762 P HA 0.058 nan 4.420 nan 0.000 0.225 762 P C 1.186 178.433 177.300 -0.089 0.000 1.156 762 P CA 0.684 63.655 63.100 -0.215 0.000 0.787 762 P CB 0.486 32.070 31.700 -0.193 0.000 0.802 763 R N -0.525 119.950 120.500 -0.041 0.000 2.193 763 R HA 0.031 4.369 4.340 -0.003 0.000 0.213 763 R C 0.216 176.508 176.300 -0.014 0.000 1.055 763 R CA 0.524 56.618 56.100 -0.011 0.000 0.995 763 R CB -0.339 29.971 30.300 0.016 0.000 0.893 763 R HN 0.135 nan 8.270 nan 0.000 0.459 764 Q N -1.437 118.348 119.800 -0.025 0.000 2.470 764 Q HA -0.144 4.195 4.340 -0.003 0.000 0.294 764 Q C -0.887 175.114 176.000 0.001 0.000 1.356 764 Q CA 0.936 56.727 55.803 -0.020 0.000 0.805 764 Q CB -2.191 26.533 28.738 -0.024 0.000 1.157 764 Q HN 0.390 nan 8.270 nan 0.000 0.431 765 A N 1.215 124.042 122.820 0.012 0.000 2.476 765 A HA 0.323 4.641 4.320 -0.003 0.000 0.275 765 A C 0.153 177.761 177.584 0.039 0.000 1.133 765 A CA 0.244 52.301 52.037 0.033 0.000 0.797 765 A CB 0.261 19.286 19.000 0.043 0.000 1.081 765 A HN 0.209 nan 8.150 nan 0.000 0.510 766 D N 2.192 122.624 120.400 0.052 0.000 2.375 766 D HA 0.266 4.904 4.640 -0.003 0.000 0.259 766 D C 0.407 176.769 176.300 0.104 0.000 1.235 766 D CA -0.428 53.609 54.000 0.062 0.000 0.924 766 D CB 0.055 40.874 40.800 0.032 0.000 1.143 766 D HN 0.504 nan 8.370 nan 0.000 0.529 767 Y N 3.125 123.436 120.300 0.018 0.000 2.016 767 Y HA -0.264 4.284 4.550 -0.003 0.000 0.224 767 Y C 0.571 176.514 175.900 0.073 0.000 1.030 767 Y CA 1.750 59.889 58.100 0.064 0.000 1.010 767 Y CB -0.151 38.368 38.460 0.099 0.000 0.939 767 Y HN 0.403 nan 8.280 nan 0.000 0.514 768 D N 0.801 121.342 120.400 0.234 0.000 2.443 768 D HA 0.039 4.678 4.640 -0.003 0.000 0.239 768 D C -0.672 175.687 176.300 0.098 0.000 1.136 768 D CA 0.147 54.227 54.000 0.133 0.000 0.879 768 D CB 0.426 41.368 40.800 0.236 0.000 1.195 768 D HN 0.256 nan 8.370 nan 0.000 0.443 769 K N 0.893 121.343 120.400 0.083 0.000 3.100 769 K HA 0.018 4.337 4.320 -0.003 0.000 0.256 769 K C 0.053 176.722 176.600 0.115 0.000 1.146 769 K CA -0.170 56.160 56.287 0.072 0.000 1.233 769 K CB 0.070 32.594 32.500 0.039 0.000 1.226 769 K HN 0.476 nan 8.250 nan 0.000 0.442 770 D N 0.589 121.053 120.400 0.108 0.000 2.352 770 D HA -0.121 4.518 4.640 -0.003 0.000 0.232 770 D C -0.389 175.888 176.300 -0.037 0.000 1.055 770 D CA 0.135 54.127 54.000 -0.012 0.000 0.891 770 D CB -0.136 40.471 40.800 -0.321 0.000 0.897 770 D HN 0.260 nan 8.370 nan 0.000 0.529 771 E N -1.403 118.799 120.200 0.002 0.000 2.513 771 E HA -0.136 4.212 4.350 -0.003 0.000 0.257 771 E C -0.945 175.640 176.600 -0.024 0.000 1.098 771 E CA 0.285 56.681 56.400 -0.006 0.000 0.752 771 E CB -1.507 28.194 29.700 0.002 0.000 1.324 771 E HN 0.202 nan 8.360 nan 0.000 0.403 772 V N 0.671 120.567 119.914 -0.031 0.000 2.380 772 V HA 0.361 4.480 4.120 -0.003 0.000 0.272 772 V C 1.021 177.098 176.094 -0.028 0.000 1.011 772 V CA -0.235 62.043 62.300 -0.037 0.000 0.826 772 V CB 1.401 33.193 31.823 -0.052 0.000 1.040 772 V HN 0.360 nan 8.190 nan 0.000 0.441 773 G N 2.528 111.314 108.800 -0.024 0.000 2.765 773 G HA2 -0.027 3.932 3.960 -0.003 0.000 0.230 773 G HA3 -0.027 3.932 3.960 -0.003 0.000 0.230 773 G C 0.683 175.570 174.900 -0.023 0.000 1.238 773 G CA 0.077 45.167 45.100 -0.016 0.000 0.854 773 G HN 0.679 nan 8.290 nan 0.000 0.579 774 D N 0.557 120.947 120.400 -0.016 0.000 2.104 774 D HA -0.126 4.512 4.640 -0.003 0.000 0.194 774 D C 2.344 178.613 176.300 -0.052 0.000 0.994 774 D CA 1.079 55.051 54.000 -0.046 0.000 0.830 774 D CB -0.032 40.749 40.800 -0.032 0.000 0.959 774 D HN 0.535 nan 8.370 nan 0.000 0.452 775 R N 0.092 120.580 120.500 -0.021 0.000 2.189 775 R HA -0.081 4.258 4.340 -0.003 0.000 0.223 775 R C 1.934 178.228 176.300 -0.010 0.000 1.092 775 R CA 1.221 57.318 56.100 -0.005 0.000 0.989 775 R CB 0.018 30.336 30.300 0.030 0.000 0.876 775 R HN 0.398 nan 8.270 nan 0.000 0.457 776 c N -1.557 117.029 118.600 -0.023 0.000 3.336 776 c HA 0.296 4.864 4.570 -0.003 0.000 0.291 776 c C 0.161 174.228 174.090 -0.038 0.000 1.363 776 c CA -1.070 55.242 56.329 -0.028 0.000 1.737 776 c CB -0.279 42.207 42.510 -0.040 0.000 2.274 776 c HN 0.119 nan 8.230 nan 0.000 0.663 777 D N 3.096 123.467 120.400 -0.049 0.000 2.343 777 D HA 0.088 4.726 4.640 -0.003 0.000 0.255 777 D C 1.039 177.304 176.300 -0.060 0.000 1.187 777 D CA 0.330 54.296 54.000 -0.057 0.000 0.875 777 D CB 0.756 41.513 40.800 -0.072 0.000 1.136 777 D HN 0.626 nan 8.370 nan 0.000 0.469 778 N N 2.424 121.100 118.700 -0.040 0.000 2.494 778 N HA -0.081 4.657 4.740 -0.003 0.000 0.182 778 N C -0.078 175.416 175.510 -0.028 0.000 1.076 778 N CA 0.116 53.150 53.050 -0.028 0.000 0.908 778 N CB -0.103 38.378 38.487 -0.010 0.000 0.967 778 N HN 0.117 nan 8.380 nan 0.000 0.449 779 c N 1.366 119.945 118.600 -0.035 0.000 3.002 779 c HA 0.405 4.973 4.570 -0.003 0.000 0.248 779 c C -1.712 172.338 174.090 -0.066 0.000 1.153 779 c CA -1.064 55.252 56.329 -0.023 0.000 1.502 779 c CB 1.162 43.683 42.510 0.018 0.000 1.805 779 c HN 0.191 nan 8.230 nan 0.000 0.450 780 P HA -0.073 nan 4.420 nan 0.000 0.222 780 P C 0.532 177.612 177.300 -0.366 0.000 1.147 780 P CA 1.398 64.286 63.100 -0.353 0.000 0.790 780 P CB 0.070 31.395 31.700 -0.625 0.000 0.780 781 Y N -2.132 118.173 120.300 0.009 0.000 2.462 781 Y HA 0.143 4.692 4.550 -0.002 0.000 0.253 781 Y C 1.170 177.156 175.900 0.143 0.000 1.095 781 Y CA -0.261 57.869 58.100 0.050 0.000 1.283 781 Y CB -0.137 38.282 38.460 -0.069 0.000 1.138 781 Y HN -0.298 nan 8.280 nan 0.000 0.522 782 V N -0.030 120.014 119.914 0.217 0.000 2.850 782 V HA 0.175 4.293 4.120 -0.003 0.000 0.315 782 V C -0.003 176.193 176.094 0.170 0.000 1.064 782 V CA -1.330 61.083 62.300 0.189 0.000 0.979 782 V CB 1.693 33.601 31.823 0.142 0.000 1.039 782 V HN 0.160 nan 8.190 nan 0.000 0.452 783 H N 4.954 124.075 119.070 0.085 0.000 2.819 783 H HA 0.260 4.814 4.556 -0.002 0.000 0.303 783 H C -0.637 174.722 175.328 0.053 0.000 1.058 783 H CA 0.179 56.265 56.048 0.064 0.000 1.471 783 H CB 0.599 30.394 29.762 0.054 0.000 1.480 783 H HN 0.855 nan 8.280 nan 0.000 0.517 784 N N 4.828 123.340 118.700 -0.313 0.000 3.029 784 N HA 0.064 4.802 4.740 -0.003 0.000 0.198 784 N C -2.911 172.486 175.510 -0.188 0.000 1.444 784 N CA -1.146 51.799 53.050 -0.175 0.000 0.784 784 N CB 0.464 38.930 38.487 -0.036 0.000 1.539 784 N HN 0.327 nan 8.380 nan 0.000 0.582 785 P HA 0.028 nan 4.420 nan 0.000 0.221 785 P C 1.275 178.535 177.300 -0.067 0.000 1.150 785 P CA 1.277 64.283 63.100 -0.157 0.000 0.800 785 P CB 0.286 31.901 31.700 -0.142 0.000 0.787 786 A N -0.633 122.164 122.820 -0.038 0.000 2.167 786 A HA -0.100 4.218 4.320 -0.003 0.000 0.214 786 A C 1.032 178.617 177.584 0.003 0.000 1.151 786 A CA 0.478 52.515 52.037 -0.001 0.000 0.735 786 A CB -0.822 18.192 19.000 0.023 0.000 0.802 786 A HN 0.067 nan 8.150 nan 0.000 0.467 787 Q N -1.222 118.571 119.800 -0.012 0.000 2.437 787 Q HA -0.208 4.130 4.340 -0.003 0.000 0.274 787 Q C -0.386 175.624 176.000 0.018 0.000 1.165 787 Q CA 0.883 56.683 55.803 -0.005 0.000 0.925 787 Q CB -2.000 26.731 28.738 -0.013 0.000 1.327 787 Q HN 0.757 nan 8.270 nan 0.000 0.505 788 I N 1.089 121.680 120.570 0.034 0.000 2.618 788 I HA -0.022 4.146 4.170 -0.003 0.000 0.284 788 I C 0.751 176.901 176.117 0.056 0.000 1.146 788 I CA 0.555 61.886 61.300 0.053 0.000 1.425 788 I CB 0.378 38.424 38.000 0.076 0.000 1.383 788 I HN -0.043 nan 8.210 nan 0.000 0.562 789 D N 4.758 125.192 120.400 0.055 0.000 2.405 789 D HA 0.159 4.797 4.640 -0.003 0.000 0.264 789 D C 0.800 177.135 176.300 0.058 0.000 1.240 789 D CA -0.377 53.652 54.000 0.049 0.000 0.893 789 D CB 0.924 41.745 40.800 0.034 0.000 1.198 789 D HN 0.483 nan 8.370 nan 0.000 0.514 790 T N 1.095 115.697 114.554 0.080 0.000 2.592 790 T HA -0.238 4.111 4.350 -0.003 0.000 0.267 790 T C 1.074 175.810 174.700 0.061 0.000 1.060 790 T CA 2.108 64.265 62.100 0.096 0.000 1.167 790 T CB -0.132 68.811 68.868 0.126 0.000 0.863 790 T HN 0.574 nan 8.240 nan 0.000 0.431 791 D N 0.866 121.295 120.400 0.047 0.000 2.319 791 D HA 0.008 4.646 4.640 -0.003 0.000 0.230 791 D C 0.083 176.398 176.300 0.027 0.000 1.094 791 D CA -0.135 53.887 54.000 0.036 0.000 0.856 791 D CB -0.896 39.929 40.800 0.041 0.000 0.915 791 D HN 0.182 nan 8.370 nan 0.000 0.517 792 N N 1.301 120.019 118.700 0.030 0.000 2.714 792 N HA -0.211 4.527 4.740 -0.003 0.000 0.252 792 N C -0.378 175.145 175.510 0.022 0.000 1.014 792 N CA 0.996 54.061 53.050 0.026 0.000 0.735 792 N CB -1.658 36.844 38.487 0.025 0.000 0.924 792 N HN 0.648 nan 8.380 nan 0.000 0.540 793 N N -1.183 117.530 118.700 0.022 0.000 2.328 793 N HA 0.258 4.996 4.740 -0.003 0.000 0.247 793 N C 1.163 176.684 175.510 0.019 0.000 1.165 793 N CA 0.463 53.525 53.050 0.019 0.000 0.873 793 N CB 0.206 38.705 38.487 0.020 0.000 1.125 793 N HN 0.373 nan 8.380 nan 0.000 0.513 794 G N 0.359 109.170 108.800 0.019 0.000 2.267 794 G HA2 -0.347 3.612 3.960 -0.003 0.000 0.257 794 G HA3 -0.347 3.612 3.960 -0.003 0.000 0.257 794 G C -0.165 174.741 174.900 0.011 0.000 0.998 794 G CA 0.514 45.623 45.100 0.015 0.000 0.620 794 G HN 0.658 nan 8.290 nan 0.000 0.529 795 E N 0.758 120.967 120.200 0.016 0.000 2.113 795 E HA 0.554 4.903 4.350 -0.003 0.000 0.273 795 E C 0.831 177.442 176.600 0.020 0.000 0.924 795 E CA -0.133 56.277 56.400 0.016 0.000 0.764 795 E CB 0.495 30.207 29.700 0.021 0.000 1.104 795 E HN 0.485 nan 8.360 nan 0.000 0.406 796 G N 3.795 112.606 108.800 0.018 0.000 2.432 796 G HA2 -0.029 3.930 3.960 -0.003 0.000 0.257 796 G HA3 -0.029 3.930 3.960 -0.003 0.000 0.257 796 G C 0.308 175.226 174.900 0.030 0.000 1.238 796 G CA -0.433 44.681 45.100 0.023 0.000 0.838 796 G HN 0.697 nan 8.290 nan 0.000 0.547 797 D N 1.746 122.169 120.400 0.038 0.000 2.157 797 D HA -0.269 4.370 4.640 -0.003 0.000 0.191 797 D C 2.685 179.006 176.300 0.034 0.000 1.004 797 D CA 2.001 56.022 54.000 0.035 0.000 0.854 797 D CB -0.384 40.455 40.800 0.065 0.000 0.936 797 D HN 0.494 nan 8.370 nan 0.000 0.446 798 A N 0.686 123.534 122.820 0.047 0.000 1.873 798 A HA -0.276 4.042 4.320 -0.003 0.000 0.219 798 A C 2.018 179.632 177.584 0.051 0.000 1.269 798 A CA 2.332 54.402 52.037 0.055 0.000 0.671 798 A CB -1.139 17.897 19.000 0.060 0.000 0.842 798 A HN 0.567 nan 8.150 nan 0.000 0.460 799 c N -0.854 117.776 118.600 0.050 0.000 2.439 799 c HA 0.666 5.234 4.570 -0.003 0.000 0.411 799 c C 0.571 174.687 174.090 0.044 0.000 1.337 799 c CA -0.363 55.998 56.329 0.054 0.000 1.716 799 c CB -1.994 40.555 42.510 0.066 0.000 2.332 799 c HN 0.532 nan 8.230 nan 0.000 0.594 800 S N 0.175 115.897 115.700 0.036 0.000 2.571 800 S HA 0.534 5.002 4.470 -0.003 0.000 0.284 800 S C 0.438 175.059 174.600 0.035 0.000 1.128 800 S CA -0.063 58.157 58.200 0.034 0.000 0.970 800 S CB 1.804 65.018 63.200 0.023 0.000 1.039 800 S HN 1.157 nan 8.310 nan 0.000 0.485 801 V N 0.426 120.378 119.914 0.063 0.000 3.623 801 V HA 0.468 4.586 4.120 -0.003 0.000 0.271 801 V C 0.137 176.311 176.094 0.133 0.000 1.248 801 V CA 0.751 63.111 62.300 0.100 0.000 1.156 801 V CB -0.435 31.465 31.823 0.128 0.000 0.870 801 V HN 0.756 nan 8.190 nan 0.000 0.453 802 D N 0.113 120.550 120.400 0.062 0.000 2.411 802 D HA 0.260 4.899 4.640 -0.003 0.000 0.239 802 D C 0.809 177.092 176.300 -0.029 0.000 1.307 802 D CA -0.223 53.776 54.000 -0.002 0.000 0.930 802 D CB 0.692 41.471 40.800 -0.035 0.000 1.395 802 D HN 0.332 nan 8.370 nan 0.000 0.536 803 I N -0.084 120.447 120.570 -0.064 0.000 2.493 803 I HA 0.010 4.179 4.170 -0.003 0.000 0.254 803 I C 0.925 177.019 176.117 -0.039 0.000 1.160 803 I CA 1.061 62.323 61.300 -0.064 0.000 1.445 803 I CB 0.145 38.062 38.000 -0.139 0.000 1.086 803 I HN 0.069 nan 8.210 nan 0.000 0.433 804 D N 1.079 121.447 120.400 -0.054 0.000 2.363 804 D HA 0.103 4.742 4.640 -0.003 0.000 0.214 804 D C 1.479 177.809 176.300 0.050 0.000 1.093 804 D CA 0.247 54.250 54.000 0.004 0.000 0.837 804 D CB -0.255 40.541 40.800 -0.007 0.000 0.948 804 D HN 0.449 nan 8.370 nan 0.000 0.507 805 G N 2.645 111.447 108.800 0.005 0.000 2.393 805 G HA2 -0.279 3.680 3.960 -0.003 0.000 0.299 805 G HA3 -0.279 3.680 3.960 -0.003 0.000 0.299 805 G C 0.170 175.077 174.900 0.013 0.000 0.990 805 G CA 0.649 45.762 45.100 0.022 0.000 1.118 805 G HN 0.564 nan 8.290 nan 0.000 0.513 806 D N -1.117 119.163 120.400 -0.200 0.000 2.479 806 D HA 0.240 4.878 4.640 -0.003 0.000 0.218 806 D C 0.877 176.944 176.300 -0.388 0.000 1.177 806 D CA 0.212 53.913 54.000 -0.499 0.000 0.830 806 D CB 0.222 40.502 40.800 -0.868 0.000 1.014 806 D HN 0.240 nan 8.370 nan 0.000 0.503 807 D N -1.010 119.201 120.400 -0.316 0.000 2.466 807 D HA -0.169 4.469 4.640 -0.003 0.000 0.184 807 D C -0.151 175.747 176.300 -0.671 0.000 1.519 807 D CA 1.066 54.820 54.000 -0.411 0.000 1.769 807 D CB -0.793 39.823 40.800 -0.306 0.000 1.391 807 D HN 0.208 nan 8.370 nan 0.000 0.515 808 V N 3.366 122.985 119.914 -0.493 0.000 2.421 808 V HA 0.100 4.219 4.120 -0.003 0.000 0.271 808 V C 0.938 176.805 176.094 -0.377 0.000 1.031 808 V CA 0.239 62.275 62.300 -0.440 0.000 1.032 808 V CB -0.699 30.973 31.823 -0.253 0.000 1.009 808 V HN 0.002 nan 8.190 nan 0.000 0.477 809 F N 3.740 123.650 119.950 -0.066 0.000 2.535 809 F HA 0.104 4.631 4.527 -0.000 0.000 0.332 809 F C 1.744 177.504 175.800 -0.067 0.000 1.208 809 F CA -0.037 57.927 58.000 -0.060 0.000 1.330 809 F CB 0.053 39.027 39.000 -0.043 0.000 1.167 809 F HN 0.383 nan 8.300 nan 0.000 0.597 810 N N 1.313 120.091 118.700 0.130 0.000 2.021 810 N HA -0.223 4.516 4.740 -0.003 0.000 0.198 810 N C 1.773 177.293 175.510 0.016 0.000 1.041 810 N CA 2.043 55.103 53.050 0.016 0.000 0.862 810 N CB -0.472 38.010 38.487 -0.008 0.000 1.048 810 N HN 0.729 nan 8.380 nan 0.000 0.427 811 E N 0.333 120.559 120.200 0.043 0.000 2.204 811 E HA -0.111 4.237 4.350 -0.003 0.000 0.194 811 E C 1.850 178.472 176.600 0.037 0.000 0.989 811 E CA 0.730 57.148 56.400 0.030 0.000 0.824 811 E CB -0.213 29.500 29.700 0.022 0.000 0.756 811 E HN 0.304 nan 8.360 nan 0.000 0.477 812 R N 0.841 121.381 120.500 0.066 0.000 2.153 812 R HA -0.013 4.325 4.340 -0.003 0.000 0.218 812 R C 0.395 176.705 176.300 0.016 0.000 1.072 812 R CA 0.364 56.497 56.100 0.055 0.000 0.990 812 R CB 0.064 30.427 30.300 0.105 0.000 0.889 812 R HN 0.065 nan 8.270 nan 0.000 0.452 813 D N 1.266 121.665 120.400 -0.002 0.000 2.382 813 D HA -0.066 4.572 4.640 -0.003 0.000 0.259 813 D C 0.264 176.551 176.300 -0.022 0.000 1.224 813 D CA 0.071 54.047 54.000 -0.039 0.000 0.894 813 D CB 0.602 41.359 40.800 -0.071 0.000 1.127 813 D HN 0.190 nan 8.370 nan 0.000 0.487 814 N N 2.330 121.019 118.700 -0.019 0.000 2.434 814 N HA -0.059 4.680 4.740 -0.003 0.000 0.196 814 N C -0.451 175.066 175.510 0.010 0.000 1.183 814 N CA -0.189 52.860 53.050 -0.001 0.000 0.849 814 N CB -0.207 38.280 38.487 0.001 0.000 0.992 814 N HN 0.105 nan 8.380 nan 0.000 0.460 815 c N 1.054 119.656 118.600 0.002 0.000 3.319 815 c HA 0.318 4.887 4.570 -0.003 0.000 0.200 815 c C -1.563 172.535 174.090 0.013 0.000 1.332 815 c CA -0.908 55.441 56.329 0.033 0.000 1.170 815 c CB 1.060 43.592 42.510 0.037 0.000 1.855 815 c HN 0.206 nan 8.230 nan 0.000 0.593 816 P HA -0.159 nan 4.420 nan 0.000 0.218 816 P C 0.723 177.895 177.300 -0.213 0.000 1.146 816 P CA 1.656 64.673 63.100 -0.139 0.000 0.813 816 P CB 0.127 31.704 31.700 -0.204 0.000 0.778 817 Y N -1.290 119.012 120.300 0.002 0.000 2.500 817 Y HA 0.140 4.688 4.550 -0.002 0.000 0.270 817 Y C 1.153 177.056 175.900 0.004 0.000 1.134 817 Y CA -0.001 58.103 58.100 0.007 0.000 1.293 817 Y CB 0.433 38.900 38.460 0.012 0.000 1.063 817 Y HN -0.302 nan 8.280 nan 0.000 0.534 818 V N -0.005 119.976 119.914 0.111 0.000 2.487 818 V HA 0.113 4.231 4.120 -0.003 0.000 0.298 818 V C -0.899 175.177 176.094 -0.030 0.000 1.028 818 V CA -1.547 60.780 62.300 0.044 0.000 0.860 818 V CB 1.175 33.037 31.823 0.066 0.000 0.991 818 V HN 0.085 nan 8.190 nan 0.000 0.427 819 Y N 7.184 127.380 120.300 -0.173 0.000 2.770 819 Y HA 0.156 4.705 4.550 -0.002 0.000 0.342 819 Y C 0.618 176.369 175.900 -0.249 0.000 1.221 819 Y CA 0.472 58.462 58.100 -0.183 0.000 1.560 819 Y CB 0.223 38.587 38.460 -0.161 0.000 1.213 819 Y HN 0.825 nan 8.280 nan 0.000 0.525 820 N N 3.319 121.811 118.700 -0.347 0.000 2.747 820 N HA 0.013 4.752 4.740 -0.003 0.000 0.262 820 N C -0.093 175.247 175.510 -0.283 0.000 1.261 820 N CA 0.015 52.928 53.050 -0.228 0.000 0.809 820 N CB 0.577 39.001 38.487 -0.105 0.000 1.450 820 N HN 0.640 nan 8.380 nan 0.000 0.560 821 T N -2.190 112.179 114.554 -0.309 0.000 2.942 821 T HA -0.137 4.212 4.350 -0.003 0.000 0.265 821 T C 1.069 175.687 174.700 -0.135 0.000 1.062 821 T CA 1.476 63.418 62.100 -0.263 0.000 1.139 821 T CB -0.257 68.463 68.868 -0.245 0.000 0.883 821 T HN 0.443 nan 8.240 nan 0.000 0.468 822 D N 1.300 121.652 120.400 -0.079 0.000 2.363 822 D HA -0.126 4.513 4.640 -0.003 0.000 0.220 822 D C 0.904 177.181 176.300 -0.038 0.000 0.994 822 D CA 0.248 54.222 54.000 -0.043 0.000 0.890 822 D CB -0.630 40.161 40.800 -0.014 0.000 0.906 822 D HN 0.351 nan 8.370 nan 0.000 0.530 823 Q N -0.272 119.496 119.800 -0.052 0.000 2.437 823 Q HA -0.277 4.062 4.340 -0.003 0.000 0.274 823 Q C 0.017 176.010 176.000 -0.011 0.000 1.165 823 Q CA 0.677 56.457 55.803 -0.038 0.000 0.925 823 Q CB -1.888 26.822 28.738 -0.046 0.000 1.327 823 Q HN 0.610 nan 8.270 nan 0.000 0.505 824 R N 1.493 121.993 120.500 0.000 0.000 2.538 824 R HA 0.028 4.366 4.340 -0.003 0.000 0.282 824 R C -0.239 176.070 176.300 0.014 0.000 1.009 824 R CA 0.551 56.657 56.100 0.009 0.000 1.063 824 R CB 0.449 30.758 30.300 0.015 0.000 0.945 824 R HN -0.042 nan 8.270 nan 0.000 0.414 825 D N 3.308 123.716 120.400 0.014 0.000 2.552 825 D HA 0.126 4.764 4.640 -0.003 0.000 0.285 825 D C 0.433 176.746 176.300 0.022 0.000 1.206 825 D CA -0.301 53.710 54.000 0.018 0.000 0.826 825 D CB 0.965 41.776 40.800 0.018 0.000 1.179 825 D HN 0.582 nan 8.370 nan 0.000 0.508 826 T N 0.384 114.950 114.554 0.019 0.000 2.592 826 T HA -0.243 4.106 4.350 -0.003 0.000 0.267 826 T C 1.219 175.937 174.700 0.030 0.000 1.060 826 T CA 2.095 64.207 62.100 0.020 0.000 1.167 826 T CB -0.049 68.828 68.868 0.015 0.000 0.863 826 T HN 0.495 nan 8.240 nan 0.000 0.431 827 D N 0.526 120.950 120.400 0.040 0.000 2.349 827 D HA 0.200 4.838 4.640 -0.003 0.000 0.215 827 D C 1.379 177.742 176.300 0.106 0.000 1.016 827 D CA 0.721 54.761 54.000 0.067 0.000 0.870 827 D CB -0.792 40.053 40.800 0.075 0.000 0.917 827 D HN 0.560 nan 8.370 nan 0.000 0.524 828 G N 2.020 110.868 108.800 0.080 0.000 2.221 828 G HA2 -0.287 3.672 3.960 -0.003 0.000 0.265 828 G HA3 -0.287 3.672 3.960 -0.003 0.000 0.265 828 G C 0.278 175.262 174.900 0.141 0.000 1.041 828 G CA 0.474 45.628 45.100 0.089 0.000 0.807 828 G HN 0.545 nan 8.290 nan 0.000 0.502 829 D N -1.035 119.414 120.400 0.080 0.000 2.328 829 D HA 0.383 5.022 4.640 -0.003 0.000 0.221 829 D C 1.835 178.093 176.300 -0.070 0.000 1.072 829 D CA 0.497 54.445 54.000 -0.086 0.000 0.850 829 D CB -0.382 40.125 40.800 -0.489 0.000 0.922 829 D HN 1.503 nan 8.370 nan 0.000 0.516 830 G N -0.836 107.963 108.800 -0.001 0.000 2.217 830 G HA2 -0.247 3.712 3.960 -0.003 0.000 0.246 830 G HA3 -0.247 3.712 3.960 -0.003 0.000 0.246 830 G C 0.056 174.954 174.900 -0.004 0.000 0.990 830 G CA 0.199 45.301 45.100 0.004 0.000 0.627 830 G HN 0.395 nan 8.290 nan 0.000 0.522 831 V N 1.628 121.531 119.914 -0.019 0.000 2.370 831 V HA 0.727 4.845 4.120 -0.003 0.000 0.283 831 V C 1.132 177.228 176.094 0.004 0.000 1.023 831 V CA -0.219 62.077 62.300 -0.007 0.000 0.857 831 V CB 1.299 33.109 31.823 -0.021 0.000 0.985 831 V HN 0.744 nan 8.190 nan 0.000 0.443 832 G N 2.449 111.260 108.800 0.018 0.000 2.569 832 G HA2 0.243 4.202 3.960 -0.003 0.000 0.249 832 G HA3 0.243 4.202 3.960 -0.003 0.000 0.249 832 G C 0.389 175.312 174.900 0.037 0.000 1.216 832 G CA -0.242 44.874 45.100 0.026 0.000 0.845 832 G HN 0.773 nan 8.290 nan 0.000 0.568 833 D N -0.622 119.800 120.400 0.037 0.000 2.133 833 D HA -0.167 4.471 4.640 -0.003 0.000 0.195 833 D C 1.816 178.137 176.300 0.035 0.000 0.997 833 D CA 1.579 55.595 54.000 0.027 0.000 0.840 833 D CB -0.190 40.623 40.800 0.021 0.000 0.947 833 D HN 0.688 nan 8.370 nan 0.000 0.452 834 H N -1.162 117.905 119.070 -0.005 0.000 2.524 834 H HA 0.023 4.577 4.556 -0.003 0.000 0.282 834 H C 1.057 176.381 175.328 -0.006 0.000 1.016 834 H CA 1.191 57.236 56.048 -0.005 0.000 1.270 834 H CB 0.233 29.999 29.762 0.007 0.000 1.394 834 H HN 0.362 nan 8.280 nan 0.000 0.568 835 c N -0.645 118.027 118.600 0.121 0.000 3.098 835 c HA 0.313 4.881 4.570 -0.003 0.000 0.265 835 c C -0.211 173.899 174.090 0.033 0.000 1.572 835 c CA -0.958 55.419 56.329 0.080 0.000 1.788 835 c CB -0.756 41.816 42.510 0.104 0.000 2.982 835 c HN 0.292 nan 8.230 nan 0.000 0.532 836 D N 2.684 123.091 120.400 0.012 0.000 2.329 836 D HA 0.209 4.847 4.640 -0.003 0.000 0.232 836 D C 0.776 177.069 176.300 -0.013 0.000 1.088 836 D CA 0.082 54.081 54.000 -0.003 0.000 0.835 836 D CB 0.918 41.715 40.800 -0.006 0.000 1.078 836 D HN 0.532 nan 8.370 nan 0.000 0.495 837 N N 2.540 121.235 118.700 -0.009 0.000 2.421 837 N HA -0.025 4.714 4.740 -0.003 0.000 0.201 837 N C -0.484 175.023 175.510 -0.005 0.000 1.198 837 N CA -0.229 52.817 53.050 -0.006 0.000 0.838 837 N CB -0.356 38.133 38.487 0.004 0.000 1.011 837 N HN 0.140 nan 8.380 nan 0.000 0.463 838 c N 0.783 119.378 118.600 -0.008 0.000 2.945 838 c HA 0.267 4.836 4.570 -0.003 0.000 0.216 838 c C -1.597 172.491 174.090 -0.003 0.000 1.319 838 c CA -0.814 55.513 56.329 -0.004 0.000 1.036 838 c CB 0.905 43.414 42.510 -0.003 0.000 1.871 838 c HN 0.208 nan 8.230 nan 0.000 0.660 839 P HA -0.114 nan 4.420 nan 0.000 0.218 839 P C 1.113 178.417 177.300 0.007 0.000 1.148 839 P CA 1.512 64.610 63.100 -0.004 0.000 0.822 839 P CB 0.234 31.927 31.700 -0.012 0.000 0.784 840 L N -1.724 119.505 121.223 0.010 0.000 2.567 840 L HA 0.147 4.485 4.340 -0.003 0.000 0.225 840 L C 0.675 177.564 176.870 0.031 0.000 1.119 840 L CA 0.136 54.986 54.840 0.018 0.000 0.871 840 L CB 0.182 42.248 42.059 0.012 0.000 1.036 840 L HN -0.241 nan 8.230 nan 0.000 0.459 841 V N -0.925 119.009 119.914 0.033 0.000 2.588 841 V HA 0.250 4.368 4.120 -0.003 0.000 0.304 841 V C -0.010 176.127 176.094 0.072 0.000 1.042 841 V CA -0.868 61.465 62.300 0.055 0.000 0.877 841 V CB 2.088 33.935 31.823 0.041 0.000 0.996 841 V HN 0.119 nan 8.190 nan 0.000 0.425 842 H N 6.377 125.451 119.070 0.007 0.000 3.001 842 H HA 0.133 4.687 4.556 -0.003 0.000 0.334 842 H C -0.228 175.106 175.328 0.010 0.000 1.034 842 H CA 1.069 57.123 56.048 0.009 0.000 1.420 842 H CB 0.634 30.401 29.762 0.008 0.000 1.405 842 H HN 0.880 nan 8.280 nan 0.000 0.593 843 N N 4.349 122.851 118.700 -0.330 0.000 3.771 843 N HA 0.005 4.744 4.740 -0.003 0.000 0.143 843 N C -2.903 172.486 175.510 -0.201 0.000 1.391 843 N CA -0.920 52.023 53.050 -0.179 0.000 1.233 843 N CB -0.157 38.297 38.487 -0.054 0.000 1.721 843 N HN 0.275 nan 8.380 nan 0.000 0.698 844 P HA -0.115 nan 4.420 nan 0.000 0.216 844 P C 0.622 177.882 177.300 -0.066 0.000 1.150 844 P CA 1.346 64.353 63.100 -0.154 0.000 0.843 844 P CB 0.295 31.929 31.700 -0.111 0.000 0.787 845 D N -1.291 119.083 120.400 -0.043 0.000 2.269 845 D HA -0.075 4.564 4.640 -0.003 0.000 0.208 845 D C 0.686 176.980 176.300 -0.009 0.000 0.963 845 D CA 0.668 54.661 54.000 -0.013 0.000 0.864 845 D CB -0.327 40.473 40.800 0.000 0.000 0.936 845 D HN 0.120 nan 8.370 nan 0.000 0.505 846 Q N 0.454 120.242 119.800 -0.019 0.000 2.487 846 Q HA -0.145 4.194 4.340 -0.003 0.000 0.279 846 Q C -0.102 175.899 176.000 0.002 0.000 1.228 846 Q CA 0.761 56.558 55.803 -0.011 0.000 0.873 846 Q CB -2.802 25.933 28.738 -0.006 0.000 1.260 846 Q HN 0.506 nan 8.270 nan 0.000 0.471 847 T N -1.644 112.912 114.554 0.004 0.000 2.901 847 T HA 0.367 4.715 4.350 -0.003 0.000 0.301 847 T C 0.054 174.762 174.700 0.012 0.000 1.012 847 T CA -0.235 61.871 62.100 0.011 0.000 1.135 847 T CB 1.536 70.411 68.868 0.012 0.000 0.936 847 T HN 0.166 nan 8.240 nan 0.000 0.539 848 D N 2.775 123.185 120.400 0.017 0.000 2.381 848 D HA 0.160 4.798 4.640 -0.003 0.000 0.245 848 D C 0.360 176.675 176.300 0.025 0.000 1.297 848 D CA -0.651 53.362 54.000 0.021 0.000 0.931 848 D CB 1.092 41.908 40.800 0.027 0.000 1.334 848 D HN 0.368 nan 8.370 nan 0.000 0.535 849 V N 2.690 122.616 119.914 0.019 0.000 3.041 849 V HA 0.007 4.125 4.120 -0.003 0.000 0.260 849 V C 0.864 176.972 176.094 0.023 0.000 1.105 849 V CA 1.828 64.141 62.300 0.021 0.000 1.125 849 V CB 0.085 31.916 31.823 0.014 0.000 0.730 849 V HN 0.574 nan 8.190 nan 0.000 0.479 850 D N -1.464 118.947 120.400 0.019 0.000 2.479 850 D HA 0.046 4.684 4.640 -0.003 0.000 0.218 850 D C 0.378 176.701 176.300 0.039 0.000 1.177 850 D CA -0.178 53.831 54.000 0.015 0.000 0.830 850 D CB -0.756 40.032 40.800 -0.018 0.000 1.014 850 D HN 0.466 nan 8.370 nan 0.000 0.503 851 N N 1.589 120.326 118.700 0.062 0.000 2.727 851 N HA -0.171 4.568 4.740 -0.003 0.000 0.249 851 N C -0.510 175.091 175.510 0.152 0.000 1.048 851 N CA 1.244 54.358 53.050 0.106 0.000 0.714 851 N CB -1.124 37.449 38.487 0.143 0.000 0.959 851 N HN 0.589 nan 8.380 nan 0.000 0.544 852 D N -0.613 119.839 120.400 0.086 0.000 2.440 852 D HA 0.194 4.833 4.640 -0.003 0.000 0.216 852 D C 1.167 177.514 176.300 0.077 0.000 1.150 852 D CA -0.375 53.674 54.000 0.082 0.000 0.832 852 D CB -0.063 40.729 40.800 -0.013 0.000 0.992 852 D HN 0.406 nan 8.370 nan 0.000 0.502 853 L N -1.422 119.849 121.223 0.079 0.000 4.800 853 L HA -0.159 4.180 4.340 -0.003 0.000 0.412 853 L C -0.853 176.041 176.870 0.040 0.000 1.063 853 L CA 0.194 55.076 54.840 0.070 0.000 1.114 853 L CB -1.685 40.435 42.059 0.101 0.000 2.089 853 L HN 0.027 nan 8.230 nan 0.000 0.686 854 V N 0.581 120.513 119.914 0.030 0.000 2.376 854 V HA 0.603 4.721 4.120 -0.003 0.000 0.287 854 V C 1.145 177.247 176.094 0.013 0.000 1.015 854 V CA -0.092 62.219 62.300 0.018 0.000 0.834 854 V CB 1.354 33.186 31.823 0.014 0.000 1.001 854 V HN 0.223 nan 8.190 nan 0.000 0.428 855 G N 2.710 111.516 108.800 0.010 0.000 2.391 855 G HA2 0.070 4.029 3.960 -0.003 0.000 0.234 855 G HA3 0.070 4.029 3.960 -0.003 0.000 0.234 855 G C 0.662 175.566 174.900 0.007 0.000 1.284 855 G CA -0.164 44.940 45.100 0.008 0.000 0.873 855 G HN 0.768 nan 8.290 nan 0.000 0.549 856 D N 1.012 121.417 120.400 0.008 0.000 2.218 856 D HA -0.166 4.472 4.640 -0.003 0.000 0.194 856 D C 2.473 178.779 176.300 0.009 0.000 1.007 856 D CA 1.447 55.451 54.000 0.008 0.000 0.879 856 D CB 0.152 40.957 40.800 0.009 0.000 0.918 856 D HN 0.555 nan 8.370 nan 0.000 0.449 857 Q N -0.499 119.308 119.800 0.012 0.000 2.167 857 Q HA -0.062 4.276 4.340 -0.003 0.000 0.202 857 Q C 2.492 178.501 176.000 0.015 0.000 0.970 857 Q CA 0.755 56.569 55.803 0.017 0.000 0.855 857 Q CB -0.414 28.339 28.738 0.025 0.000 0.911 857 Q HN 0.422 nan 8.270 nan 0.000 0.438 858 c N 0.937 119.543 118.600 0.011 0.000 2.485 858 c HA 0.055 4.624 4.570 -0.003 0.000 0.278 858 c C 1.190 175.284 174.090 0.006 0.000 1.356 858 c CA -0.656 55.679 56.329 0.009 0.000 1.747 858 c CB -0.516 42.000 42.510 0.009 0.000 2.001 858 c HN 0.350 nan 8.230 nan 0.000 0.501 859 D N 2.086 122.489 120.400 0.004 0.000 2.338 859 D HA 0.042 4.680 4.640 -0.003 0.000 0.255 859 D C 0.431 176.729 176.300 -0.003 0.000 1.237 859 D CA 0.395 54.395 54.000 -0.000 0.000 0.883 859 D CB 0.348 41.147 40.800 -0.002 0.000 1.087 859 D HN 0.598 nan 8.370 nan 0.000 0.485 860 N N 2.176 120.873 118.700 -0.006 0.000 2.159 860 N HA -0.030 4.708 4.740 -0.003 0.000 0.217 860 N C 0.171 175.673 175.510 -0.013 0.000 1.223 860 N CA -0.340 52.706 53.050 -0.008 0.000 0.896 860 N CB 0.120 38.604 38.487 -0.006 0.000 1.064 860 N HN 0.152 nan 8.380 nan 0.000 0.518 861 N N 0.054 118.744 118.700 -0.017 0.000 2.809 861 N HA -0.215 4.523 4.740 -0.003 0.000 0.244 861 N C -1.124 174.375 175.510 -0.020 0.000 1.018 861 N CA 1.238 54.275 53.050 -0.022 0.000 0.917 861 N CB -1.356 37.117 38.487 -0.024 0.000 1.130 861 N HN 0.676 nan 8.380 nan 0.000 0.591 862 E N 1.165 121.354 120.200 -0.018 0.000 1.858 862 E HA 0.158 4.506 4.350 -0.003 0.000 0.267 862 E C -0.297 176.287 176.600 -0.028 0.000 1.215 862 E CA -0.040 56.347 56.400 -0.022 0.000 0.952 862 E CB 0.186 29.872 29.700 -0.024 0.000 1.058 862 E HN 0.181 nan 8.360 nan 0.000 0.407 863 D N 3.818 124.205 120.400 -0.021 0.000 2.404 863 D HA 0.064 4.703 4.640 -0.003 0.000 0.267 863 D C 0.308 176.598 176.300 -0.017 0.000 1.194 863 D CA -0.457 53.533 54.000 -0.018 0.000 0.910 863 D CB 0.324 41.122 40.800 -0.002 0.000 1.090 863 D HN 0.416 nan 8.370 nan 0.000 0.511 864 I N 1.900 122.437 120.570 -0.055 0.000 2.850 864 I HA -0.128 4.041 4.170 -0.003 0.000 0.266 864 I C 0.379 176.487 176.117 -0.014 0.000 1.257 864 I CA 1.142 62.411 61.300 -0.052 0.000 1.465 864 I CB 0.334 38.263 38.000 -0.118 0.000 1.091 864 I HN 0.348 nan 8.210 nan 0.000 0.467 865 D N -1.356 119.045 120.400 0.002 0.000 2.479 865 D HA -0.023 4.615 4.640 -0.003 0.000 0.218 865 D C 0.233 176.580 176.300 0.078 0.000 1.177 865 D CA -0.114 53.914 54.000 0.046 0.000 0.830 865 D CB -0.229 40.605 40.800 0.056 0.000 1.014 865 D HN 0.159 nan 8.370 nan 0.000 0.503 866 D N 1.421 121.868 120.400 0.078 0.000 2.837 866 D HA -0.182 4.457 4.640 -0.003 0.000 0.230 866 D C 0.038 176.432 176.300 0.157 0.000 1.152 866 D CA 1.340 55.417 54.000 0.129 0.000 0.736 866 D CB -1.296 39.590 40.800 0.143 0.000 1.084 866 D HN 0.620 nan 8.370 nan 0.000 0.429 867 D N -1.310 119.163 120.400 0.121 0.000 2.349 867 D HA 0.306 4.945 4.640 -0.003 0.000 0.214 867 D C 1.678 178.008 176.300 0.050 0.000 1.063 867 D CA 0.672 54.753 54.000 0.135 0.000 0.847 867 D CB 0.081 40.980 40.800 0.165 0.000 0.933 867 D HN 0.388 nan 8.370 nan 0.000 0.513 868 G N -0.178 108.610 108.800 -0.020 0.000 2.175 868 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.244 868 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.244 868 G C -0.191 174.530 174.900 -0.299 0.000 0.982 868 G CA -0.113 44.882 45.100 -0.176 0.000 0.641 868 G HN 0.531 nan 8.290 nan 0.000 0.527 869 H N 1.547 120.618 119.070 0.002 0.000 2.541 869 H HA 0.364 4.919 4.556 -0.003 0.000 0.316 869 H C 0.908 176.226 175.328 -0.018 0.000 1.043 869 H CA 0.044 56.088 56.048 -0.007 0.000 1.232 869 H CB 0.982 30.741 29.762 -0.005 0.000 1.406 869 H HN 0.756 nan 8.280 nan 0.000 0.469 870 Q N 2.657 122.500 119.800 0.072 0.000 2.421 870 Q HA 0.052 4.390 4.340 -0.003 0.000 0.255 870 Q C 0.482 176.489 176.000 0.012 0.000 1.013 870 Q CA -0.567 55.249 55.803 0.022 0.000 0.895 870 Q CB 1.096 29.836 28.738 0.004 0.000 1.271 870 Q HN 0.415 nan 8.270 nan 0.000 0.460 871 N N 2.419 121.103 118.700 -0.027 0.000 2.036 871 N HA -0.257 4.481 4.740 -0.003 0.000 0.199 871 N C 1.181 176.670 175.510 -0.035 0.000 1.036 871 N CA 2.143 55.155 53.050 -0.063 0.000 0.870 871 N CB -0.822 37.608 38.487 -0.095 0.000 1.055 871 N HN 0.888 nan 8.380 nan 0.000 0.436 872 N N 0.616 119.305 118.700 -0.018 0.000 2.571 872 N HA -0.116 4.623 4.740 -0.003 0.000 0.189 872 N C 0.494 176.003 175.510 -0.002 0.000 1.154 872 N CA 0.738 53.783 53.050 -0.008 0.000 0.907 872 N CB -0.182 38.303 38.487 -0.003 0.000 0.977 872 N HN 0.446 nan 8.380 nan 0.000 0.449 873 Q N -1.183 118.621 119.800 0.006 0.000 2.103 873 Q HA 0.149 4.487 4.340 -0.003 0.000 0.219 873 Q C -1.059 174.932 176.000 -0.015 0.000 0.784 873 Q CA -0.362 55.445 55.803 0.006 0.000 1.014 873 Q CB 0.814 29.575 28.738 0.038 0.000 1.183 873 Q HN 0.187 nan 8.270 nan 0.000 0.469 874 D N 1.137 121.531 120.400 -0.009 0.000 2.274 874 D HA 0.032 4.670 4.640 -0.003 0.000 0.239 874 D C 0.393 176.670 176.300 -0.038 0.000 1.104 874 D CA -0.290 53.693 54.000 -0.028 0.000 0.840 874 D CB 0.966 41.776 40.800 0.017 0.000 1.100 874 D HN 0.112 nan 8.370 nan 0.000 0.477 875 N N 2.020 120.679 118.700 -0.068 0.000 2.515 875 N HA -0.040 4.698 4.740 -0.003 0.000 0.191 875 N C -0.410 175.100 175.510 0.000 0.000 1.182 875 N CA -0.096 52.931 53.050 -0.037 0.000 0.879 875 N CB -0.275 38.176 38.487 -0.059 0.000 0.984 875 N HN 0.107 nan 8.380 nan 0.000 0.453 876 c N 0.479 119.088 118.600 0.015 0.000 3.493 876 c HA 0.334 4.902 4.570 -0.003 0.000 0.228 876 c C -1.620 172.512 174.090 0.071 0.000 1.227 876 c CA -1.026 55.340 56.329 0.061 0.000 1.291 876 c CB 1.058 43.605 42.510 0.061 0.000 1.820 876 c HN 0.131 nan 8.230 nan 0.000 0.547 877 P HA -0.167 nan 4.420 nan 0.000 0.217 877 P C 0.756 177.957 177.300 -0.165 0.000 1.151 877 P CA 1.877 64.928 63.100 -0.082 0.000 0.849 877 P CB 0.062 31.679 31.700 -0.139 0.000 0.787 878 Y N -2.141 118.178 120.300 0.032 0.000 2.497 878 Y HA 0.234 4.783 4.550 -0.002 0.000 0.265 878 Y C 1.232 177.156 175.900 0.040 0.000 1.111 878 Y CA -0.011 58.109 58.100 0.034 0.000 1.288 878 Y CB -0.035 38.442 38.460 0.027 0.000 1.082 878 Y HN -0.149 nan 8.280 nan 0.000 0.536 879 I N -0.289 120.385 120.570 0.172 0.000 2.382 879 I HA 0.181 4.349 4.170 -0.003 0.000 0.286 879 I C 0.018 176.194 176.117 0.099 0.000 1.002 879 I CA -0.751 60.624 61.300 0.124 0.000 1.135 879 I CB 1.376 39.441 38.000 0.109 0.000 1.288 879 I HN -0.213 nan 8.210 nan 0.000 0.448 880 S N 6.111 121.870 115.700 0.099 0.000 3.074 880 S HA -0.076 4.393 4.470 -0.003 0.000 0.359 880 S C 0.077 174.738 174.600 0.102 0.000 1.207 880 S CA 0.436 58.699 58.200 0.105 0.000 1.061 880 S CB -0.576 62.691 63.200 0.111 0.000 0.769 880 S HN 0.753 nan 8.310 nan 0.000 0.512 881 N N 1.543 120.308 118.700 0.108 0.000 2.827 881 N HA 0.278 5.016 4.740 -0.003 0.000 0.240 881 N C -0.028 175.558 175.510 0.127 0.000 1.352 881 N CA -0.351 52.757 53.050 0.096 0.000 0.760 881 N CB 0.560 39.083 38.487 0.059 0.000 1.426 881 N HN 0.333 nan 8.380 nan 0.000 0.561 882 A N 2.163 125.081 122.820 0.163 0.000 1.969 882 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 882 A C 1.717 179.417 177.584 0.193 0.000 1.169 882 A CA 1.636 53.813 52.037 0.234 0.000 0.635 882 A CB -0.528 18.586 19.000 0.190 0.000 0.810 882 A HN 0.746 nan 8.150 nan 0.000 0.445 883 N N -1.366 117.371 118.700 0.061 0.000 2.463 883 N HA -0.085 4.653 4.740 -0.003 0.000 0.181 883 N C 0.430 175.892 175.510 -0.080 0.000 1.078 883 N CA 0.914 53.943 53.050 -0.035 0.000 0.902 883 N CB -0.280 38.149 38.487 -0.098 0.000 0.970 883 N HN 0.347 nan 8.380 nan 0.000 0.451 884 Q N -1.755 117.997 119.800 -0.080 0.000 2.439 884 Q HA -0.212 4.126 4.340 -0.003 0.000 0.247 884 Q C -0.307 175.614 176.000 -0.132 0.000 0.899 884 Q CA 1.078 56.790 55.803 -0.151 0.000 1.201 884 Q CB -2.586 25.964 28.738 -0.313 0.000 1.608 884 Q HN 0.740 nan 8.270 nan 0.000 0.563 885 A N 1.624 124.376 122.820 -0.114 0.000 2.591 885 A HA 0.122 4.441 4.320 -0.003 0.000 0.244 885 A C 0.484 177.985 177.584 -0.138 0.000 1.031 885 A CA 1.181 53.110 52.037 -0.179 0.000 0.767 885 A CB 0.077 19.006 19.000 -0.118 0.000 0.942 885 A HN 0.240 nan 8.150 nan 0.000 0.514 886 D N 1.270 121.548 120.400 -0.202 0.000 2.846 886 D HA 0.277 4.915 4.640 -0.003 0.000 0.279 886 D C 0.545 176.795 176.300 -0.083 0.000 1.222 886 D CA -0.349 53.596 54.000 -0.091 0.000 0.769 886 D CB -0.437 40.318 40.800 -0.075 0.000 1.299 886 D HN 0.610 nan 8.370 nan 0.000 0.537 887 H N 0.090 119.158 119.070 -0.003 0.000 2.426 887 H HA -0.110 4.445 4.556 -0.002 0.000 0.298 887 H C 1.244 176.568 175.328 -0.007 0.000 1.107 887 H CA 2.205 58.252 56.048 -0.002 0.000 1.298 887 H CB 0.408 30.174 29.762 0.008 0.000 1.377 887 H HN 0.360 nan 8.280 nan 0.000 0.519 888 D N -0.342 120.122 120.400 0.107 0.000 2.340 888 D HA -0.046 4.593 4.640 -0.003 0.000 0.220 888 D C 0.370 176.678 176.300 0.013 0.000 1.039 888 D CA -0.006 54.026 54.000 0.053 0.000 0.866 888 D CB -0.047 40.785 40.800 0.053 0.000 0.913 888 D HN 0.192 nan 8.370 nan 0.000 0.523 889 R N -0.046 120.455 120.500 0.001 0.000 3.770 889 R HA -0.159 4.179 4.340 -0.003 0.000 0.305 889 R C -0.362 175.927 176.300 -0.018 0.000 1.184 889 R CA 1.136 57.223 56.100 -0.021 0.000 0.823 889 R CB -2.357 27.927 30.300 -0.027 0.000 1.285 889 R HN 0.478 nan 8.270 nan 0.000 0.499 890 D N -0.433 119.962 120.400 -0.008 0.000 2.349 890 D HA 0.121 4.760 4.640 -0.003 0.000 0.224 890 D C 1.364 177.659 176.300 -0.008 0.000 1.029 890 D CA 0.808 54.804 54.000 -0.006 0.000 0.879 890 D CB 0.153 40.955 40.800 0.003 0.000 0.906 890 D HN 0.448 nan 8.370 nan 0.000 0.528 891 G N -0.414 108.377 108.800 -0.015 0.000 2.225 891 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.254 891 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.254 891 G C 0.119 175.013 174.900 -0.011 0.000 0.988 891 G CA 0.072 45.161 45.100 -0.018 0.000 0.625 891 G HN 0.500 nan 8.290 nan 0.000 0.527 892 Q N 1.027 120.826 119.800 -0.001 0.000 2.340 892 Q HA 0.512 4.851 4.340 -0.003 0.000 0.259 892 Q C 0.764 176.770 176.000 0.011 0.000 0.964 892 Q CA 0.025 55.833 55.803 0.009 0.000 0.900 892 Q CB 1.000 29.748 28.738 0.017 0.000 1.228 892 Q HN 0.464 nan 8.270 nan 0.000 0.449 893 G N 3.472 112.277 108.800 0.007 0.000 2.340 893 G HA2 -0.096 3.862 3.960 -0.003 0.000 0.245 893 G HA3 -0.096 3.862 3.960 -0.003 0.000 0.245 893 G C 0.412 175.331 174.900 0.031 0.000 1.294 893 G CA -0.390 44.713 45.100 0.005 0.000 0.896 893 G HN 0.737 nan 8.290 nan 0.000 0.522 894 D N 2.590 123.017 120.400 0.045 0.000 2.248 894 D HA -0.308 4.331 4.640 -0.003 0.000 0.189 894 D C 2.634 178.975 176.300 0.069 0.000 1.011 894 D CA 2.292 56.340 54.000 0.080 0.000 0.868 894 D CB -0.333 40.547 40.800 0.134 0.000 0.931 894 D HN 0.528 nan 8.370 nan 0.000 0.449 895 A N 0.105 122.963 122.820 0.063 0.000 2.024 895 A HA -0.152 4.166 4.320 -0.003 0.000 0.220 895 A C 2.076 179.695 177.584 0.059 0.000 1.164 895 A CA 1.672 53.747 52.037 0.064 0.000 0.643 895 A CB -0.527 18.512 19.000 0.065 0.000 0.806 895 A HN 0.557 nan 8.150 nan 0.000 0.451 896 c N -1.655 116.978 118.600 0.054 0.000 2.742 896 c HA 0.560 5.129 4.570 -0.003 0.000 0.283 896 c C -0.251 173.864 174.090 0.042 0.000 1.451 896 c CA -0.716 55.643 56.329 0.051 0.000 1.785 896 c CB -1.083 41.464 42.510 0.061 0.000 2.664 896 c HN 0.417 nan 8.230 nan 0.000 0.544 897 D N 1.425 121.851 120.400 0.043 0.000 2.696 897 D HA 0.386 5.024 4.640 -0.003 0.000 0.251 897 D C -1.957 174.365 176.300 0.038 0.000 1.188 897 D CA -1.621 52.402 54.000 0.038 0.000 0.876 897 D CB 2.811 43.636 40.800 0.042 0.000 1.334 897 D HN 0.069 nan 8.370 nan 0.000 0.540 898 P HA 0.123 nan 4.420 nan 0.000 0.240 898 P C -0.286 177.027 177.300 0.023 0.000 1.190 898 P CA 0.321 63.435 63.100 0.025 0.000 0.781 898 P CB 0.682 32.393 31.700 0.018 0.000 0.931 899 D N 0.024 120.441 120.400 0.028 0.000 2.346 899 D HA 0.111 4.750 4.640 -0.003 0.000 0.255 899 D C 0.277 176.601 176.300 0.040 0.000 1.276 899 D CA -0.258 53.759 54.000 0.028 0.000 0.941 899 D CB 0.273 41.089 40.800 0.028 0.000 1.199 899 D HN -0.331 nan 8.370 nan 0.000 0.537 900 D N 1.106 121.531 120.400 0.041 0.000 2.310 900 D HA -0.085 4.554 4.640 -0.003 0.000 0.212 900 D C 0.967 177.308 176.300 0.069 0.000 0.965 900 D CA 0.827 54.865 54.000 0.063 0.000 0.879 900 D CB 0.391 41.233 40.800 0.069 0.000 0.921 900 D HN 0.568 nan 8.370 nan 0.000 0.510 901 D N -1.846 118.587 120.400 0.055 0.000 2.469 901 D HA -0.020 4.619 4.640 -0.003 0.000 0.213 901 D C 0.014 176.401 176.300 0.144 0.000 1.135 901 D CA -0.234 53.818 54.000 0.085 0.000 0.834 901 D CB -0.206 40.631 40.800 0.062 0.000 1.009 901 D HN -0.259 nan 8.370 nan 0.000 0.507 902 N N 1.481 120.249 118.700 0.115 0.000 2.758 902 N HA -0.149 4.589 4.740 -0.003 0.000 0.248 902 N C -0.378 175.292 175.510 0.266 0.000 1.076 902 N CA 1.235 54.366 53.050 0.134 0.000 0.696 902 N CB -1.319 37.219 38.487 0.086 0.000 0.979 902 N HN 0.635 nan 8.380 nan 0.000 0.550 903 D N -2.209 118.313 120.400 0.204 0.000 2.363 903 D HA 0.331 4.970 4.640 -0.003 0.000 0.214 903 D C 1.509 177.790 176.300 -0.031 0.000 1.093 903 D CA 0.715 54.758 54.000 0.073 0.000 0.837 903 D CB -0.005 40.612 40.800 -0.305 0.000 0.948 903 D HN 0.432 nan 8.370 nan 0.000 0.507 904 G N -0.181 108.631 108.800 0.021 0.000 2.527 904 G HA2 -0.279 3.680 3.960 -0.003 0.000 0.218 904 G HA3 -0.279 3.680 3.960 -0.003 0.000 0.218 904 G C 0.153 175.038 174.900 -0.025 0.000 1.177 904 G CA -0.013 45.085 45.100 -0.002 0.000 0.695 904 G HN 0.371 nan 8.290 nan 0.000 0.517 905 V N 5.333 125.214 119.914 -0.055 0.000 2.439 905 V HA 0.384 4.502 4.120 -0.003 0.000 0.271 905 V C -1.004 175.068 176.094 -0.038 0.000 1.040 905 V CA -0.796 61.472 62.300 -0.054 0.000 1.002 905 V CB 1.008 32.783 31.823 -0.080 0.000 1.000 905 V HN 0.403 nan 8.190 nan 0.000 0.477 906 P HA 0.073 nan 4.420 nan 0.000 0.270 906 P C 0.297 177.587 177.300 -0.016 0.000 1.227 906 P CA -0.180 62.913 63.100 -0.012 0.000 0.788 906 P CB 0.952 32.648 31.700 -0.007 0.000 0.926 907 D N 0.972 121.370 120.400 -0.003 0.000 2.103 907 D HA -0.196 4.443 4.640 -0.003 0.000 0.190 907 D C 1.226 177.522 176.300 -0.006 0.000 0.997 907 D CA 1.862 55.863 54.000 0.001 0.000 0.833 907 D CB -0.931 39.883 40.800 0.022 0.000 0.961 907 D HN 0.553 nan 8.370 nan 0.000 0.447 908 D N -0.181 120.220 120.400 0.001 0.000 2.403 908 D HA -0.140 4.499 4.640 -0.003 0.000 0.227 908 D C 0.800 177.094 176.300 -0.011 0.000 0.995 908 D CA 0.451 54.452 54.000 0.002 0.000 0.928 908 D CB -0.289 40.518 40.800 0.011 0.000 0.887 908 D HN 0.159 nan 8.370 nan 0.000 0.529 909 R N -0.552 119.933 120.500 -0.025 0.000 2.615 909 R HA 0.145 4.483 4.340 -0.003 0.000 0.448 909 R C -0.779 175.487 176.300 -0.056 0.000 1.009 909 R CA -0.398 55.680 56.100 -0.036 0.000 1.111 909 R CB 0.624 30.907 30.300 -0.029 0.000 1.461 909 R HN -0.016 nan 8.270 nan 0.000 0.587 910 D N 0.735 121.093 120.400 -0.070 0.000 2.408 910 D HA 0.049 4.687 4.640 -0.003 0.000 0.243 910 D C 0.353 176.579 176.300 -0.124 0.000 1.075 910 D CA -0.347 53.598 54.000 -0.092 0.000 0.832 910 D CB 1.162 41.911 40.800 -0.085 0.000 1.162 910 D HN 0.097 nan 8.370 nan 0.000 0.515 911 N N 2.004 120.627 118.700 -0.128 0.000 2.461 911 N HA -0.030 4.708 4.740 -0.003 0.000 0.188 911 N C -0.162 175.263 175.510 -0.142 0.000 1.134 911 N CA -0.092 52.872 53.050 -0.144 0.000 0.878 911 N CB -0.122 38.313 38.487 -0.087 0.000 0.972 911 N HN 0.095 nan 8.380 nan 0.000 0.456 912 c N 1.255 119.739 118.600 -0.193 0.000 3.498 912 c HA 0.368 4.936 4.570 -0.003 0.000 0.218 912 c C 1.592 175.464 174.090 -0.363 0.000 1.284 912 c CA -1.068 55.054 56.329 -0.345 0.000 1.343 912 c CB -0.399 41.943 42.510 -0.281 0.000 1.825 912 c HN 0.423 nan 8.230 nan 0.000 0.518 913 R N 0.830 121.137 120.500 -0.321 0.000 2.170 913 R HA -0.077 4.261 4.340 -0.003 0.000 0.242 913 R C 1.183 177.355 176.300 -0.213 0.000 1.145 913 R CA 1.660 57.663 56.100 -0.162 0.000 0.984 913 R CB 0.098 30.420 30.300 0.036 0.000 0.869 913 R HN 0.693 nan 8.270 nan 0.000 0.455 914 L N -0.010 120.965 121.223 -0.414 0.000 2.590 914 L HA 0.212 4.551 4.340 -0.003 0.000 0.227 914 L C -0.289 176.441 176.870 -0.233 0.000 1.099 914 L CA -0.174 54.462 54.840 -0.341 0.000 0.872 914 L CB 1.264 43.028 42.059 -0.491 0.000 1.088 914 L HN -0.094 nan 8.230 nan 0.000 0.479 915 V N 0.204 119.971 119.914 -0.246 0.000 2.409 915 V HA 0.196 4.315 4.120 -0.003 0.000 0.291 915 V C -0.231 175.840 176.094 -0.039 0.000 1.020 915 V CA -0.843 61.387 62.300 -0.116 0.000 0.848 915 V CB 1.567 33.302 31.823 -0.147 0.000 0.990 915 V HN 0.034 nan 8.190 nan 0.000 0.430 916 F N 7.010 126.905 119.950 -0.093 0.000 2.569 916 F HA 0.205 4.730 4.527 -0.002 0.000 0.395 916 F C 0.632 176.394 175.800 -0.064 0.000 1.028 916 F CA 0.576 58.536 58.000 -0.067 0.000 1.158 916 F CB 0.118 39.091 39.000 -0.045 0.000 1.023 916 F HN 0.783 nan 8.300 nan 0.000 0.547 917 N N 7.746 126.084 118.700 -0.603 0.000 3.151 917 N HA 0.126 4.864 4.740 -0.003 0.000 0.219 917 N C -2.798 172.443 175.510 -0.448 0.000 1.434 917 N CA -1.441 51.311 53.050 -0.497 0.000 0.767 917 N CB 0.767 39.115 38.487 -0.232 0.000 1.564 917 N HN 0.264 nan 8.380 nan 0.000 0.612 918 P HA -0.008 nan 4.420 nan 0.000 0.221 918 P C 0.152 177.333 177.300 -0.199 0.000 1.150 918 P CA 0.968 63.863 63.100 -0.342 0.000 0.800 918 P CB 0.560 32.066 31.700 -0.324 0.000 0.787 919 D N -0.381 119.911 120.400 -0.179 0.000 2.350 919 D HA -0.012 4.626 4.640 -0.003 0.000 0.213 919 D C 0.388 176.632 176.300 -0.094 0.000 1.031 919 D CA 0.328 54.262 54.000 -0.110 0.000 0.861 919 D CB 0.073 40.822 40.800 -0.083 0.000 0.926 919 D HN 0.096 nan 8.370 nan 0.000 0.520 920 Q N 0.598 120.329 119.800 -0.115 0.000 2.475 920 Q HA -0.193 4.146 4.340 -0.003 0.000 0.280 920 Q C -0.699 175.267 176.000 -0.057 0.000 1.234 920 Q CA 0.638 56.387 55.803 -0.090 0.000 0.873 920 Q CB -2.192 26.499 28.738 -0.078 0.000 1.256 920 Q HN 0.393 nan 8.270 nan 0.000 0.475 921 E N 1.436 121.604 120.200 -0.053 0.000 2.752 921 E HA 0.029 4.377 4.350 -0.003 0.000 0.241 921 E C 0.205 176.798 176.600 -0.012 0.000 1.016 921 E CA 0.603 56.986 56.400 -0.028 0.000 0.952 921 E CB 0.213 29.898 29.700 -0.025 0.000 0.921 921 E HN 0.140 nan 8.360 nan 0.000 0.515 922 D N 3.818 124.219 120.400 0.003 0.000 2.739 922 D HA 0.110 4.749 4.640 -0.003 0.000 0.335 922 D C -0.452 175.869 176.300 0.035 0.000 1.216 922 D CA -0.387 53.629 54.000 0.027 0.000 0.808 922 D CB 0.042 40.866 40.800 0.041 0.000 1.121 922 D HN 0.245 nan 8.370 nan 0.000 0.499 923 L N 1.483 122.723 121.223 0.029 0.000 2.762 923 L HA 0.162 4.500 4.340 -0.003 0.000 0.250 923 L C 1.103 177.998 176.870 0.041 0.000 1.160 923 L CA 0.727 55.585 54.840 0.029 0.000 0.951 923 L CB -0.022 42.049 42.059 0.021 0.000 1.148 923 L HN 0.325 nan 8.230 nan 0.000 0.424 924 D N -3.259 117.174 120.400 0.055 0.000 2.497 924 D HA 0.081 4.719 4.640 -0.003 0.000 0.256 924 D C 1.146 177.500 176.300 0.089 0.000 1.273 924 D CA 0.605 54.645 54.000 0.067 0.000 0.812 924 D CB 0.248 41.088 40.800 0.066 0.000 1.190 924 D HN 0.048 nan 8.370 nan 0.000 0.524 925 G N 2.791 111.646 108.800 0.092 0.000 2.160 925 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.251 925 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.251 925 G C 0.420 175.424 174.900 0.174 0.000 1.008 925 G CA 0.599 45.767 45.100 0.112 0.000 0.724 925 G HN 0.559 nan 8.290 nan 0.000 0.514 926 D N -0.178 120.336 120.400 0.191 0.000 2.319 926 D HA 0.320 4.958 4.640 -0.003 0.000 0.230 926 D C 1.730 178.254 176.300 0.373 0.000 1.094 926 D CA 0.423 54.580 54.000 0.262 0.000 0.856 926 D CB -0.572 40.353 40.800 0.209 0.000 0.915 926 D HN 1.512 nan 8.370 nan 0.000 0.517 927 G N 0.936 109.936 108.800 0.334 0.000 2.168 927 G HA2 -0.346 3.613 3.960 -0.003 0.000 0.263 927 G HA3 -0.346 3.613 3.960 -0.003 0.000 0.263 927 G C 0.273 175.346 174.900 0.288 0.000 0.977 927 G CA 0.320 45.667 45.100 0.411 0.000 0.659 927 G HN 0.648 nan 8.290 nan 0.000 0.533 928 R N 0.128 120.769 120.500 0.235 0.000 2.561 928 R HA 0.566 4.904 4.340 -0.003 0.000 0.297 928 R C 0.711 177.057 176.300 0.077 0.000 0.969 928 R CA -0.156 56.032 56.100 0.147 0.000 0.879 928 R CB 0.970 31.422 30.300 0.254 0.000 1.178 928 R HN 0.457 nan 8.270 nan 0.000 0.445 929 G N 2.360 111.164 108.800 0.007 0.000 2.340 929 G HA2 -0.052 3.907 3.960 -0.003 0.000 0.245 929 G HA3 -0.052 3.907 3.960 -0.003 0.000 0.245 929 G C 0.052 174.949 174.900 -0.004 0.000 1.294 929 G CA -0.364 44.724 45.100 -0.021 0.000 0.896 929 G HN 0.781 nan 8.290 nan 0.000 0.522 930 D N 2.050 122.453 120.400 0.004 0.000 2.351 930 D HA -0.139 4.499 4.640 -0.003 0.000 0.216 930 D C 2.087 178.388 176.300 0.001 0.000 0.968 930 D CA 0.258 54.267 54.000 0.015 0.000 0.899 930 D CB 0.156 40.966 40.800 0.016 0.000 0.907 930 D HN 0.376 nan 8.370 nan 0.000 0.514 931 I N 0.621 121.178 120.570 -0.021 0.000 2.406 931 I HA -0.135 4.034 4.170 -0.003 0.000 0.249 931 I C 1.254 177.353 176.117 -0.031 0.000 1.122 931 I CA 0.638 61.923 61.300 -0.024 0.000 1.431 931 I CB 0.109 38.087 38.000 -0.036 0.000 1.087 931 I HN 0.144 nan 8.210 nan 0.000 0.424 932 c N 0.180 118.747 118.600 -0.055 0.000 2.447 932 c HA 0.421 4.990 4.570 -0.003 0.000 0.402 932 c C 2.001 176.099 174.090 0.014 0.000 1.356 932 c CA -0.815 55.476 56.329 -0.063 0.000 1.712 932 c CB -1.368 41.018 42.510 -0.208 0.000 2.540 932 c HN 0.382 nan 8.230 nan 0.000 0.593 933 K N 1.391 121.809 120.400 0.029 0.000 2.057 933 K HA -0.076 4.243 4.320 -0.003 0.000 0.207 933 K C 1.112 177.757 176.600 0.075 0.000 1.049 933 K CA 2.193 58.514 56.287 0.056 0.000 0.931 933 K CB -0.070 32.455 32.500 0.042 0.000 0.714 933 K HN 0.498 nan 8.250 nan 0.000 0.440 934 D N -1.004 119.435 120.400 0.065 0.000 2.527 934 D HA 0.091 4.729 4.640 -0.003 0.000 0.224 934 D C -0.806 175.541 176.300 0.079 0.000 1.217 934 D CA 0.148 54.188 54.000 0.068 0.000 0.819 934 D CB 0.712 41.539 40.800 0.046 0.000 1.061 934 D HN 0.216 nan 8.370 nan 0.000 0.515 935 D N -0.156 120.298 120.400 0.090 0.000 2.846 935 D HA 0.029 4.667 4.640 -0.003 0.000 0.279 935 D C 0.669 177.037 176.300 0.112 0.000 1.222 935 D CA -0.572 53.484 54.000 0.092 0.000 0.769 935 D CB -0.506 40.327 40.800 0.055 0.000 1.299 935 D HN -0.192 nan 8.370 nan 0.000 0.537 936 F N 1.489 121.442 119.950 0.005 0.000 2.176 936 F HA -0.271 4.255 4.527 -0.003 0.000 0.301 936 F C 1.495 177.270 175.800 -0.042 0.000 1.071 936 F CA 2.377 60.369 58.000 -0.014 0.000 1.289 936 F CB 0.431 39.428 39.000 -0.006 0.000 1.028 936 F HN 0.263 nan 8.300 nan 0.000 0.494 937 D N -2.244 118.230 120.400 0.124 0.000 2.379 937 D HA 0.015 4.653 4.640 -0.003 0.000 0.208 937 D C 0.489 176.790 176.300 0.002 0.000 1.065 937 D CA 0.488 54.495 54.000 0.013 0.000 0.848 937 D CB -0.783 40.078 40.800 0.101 0.000 0.949 937 D HN 0.263 nan 8.370 nan 0.000 0.509 938 N N 0.963 119.671 118.700 0.014 0.000 2.758 938 N HA -0.183 4.556 4.740 -0.003 0.000 0.248 938 N C -0.914 174.618 175.510 0.036 0.000 1.076 938 N CA 1.070 54.127 53.050 0.012 0.000 0.696 938 N CB -1.414 37.063 38.487 -0.016 0.000 0.979 938 N HN 0.494 nan 8.380 nan 0.000 0.550 939 D N -1.220 119.211 120.400 0.052 0.000 2.462 939 D HA 0.244 4.882 4.640 -0.003 0.000 0.221 939 D C 0.868 177.195 176.300 0.045 0.000 1.173 939 D CA -0.035 53.997 54.000 0.053 0.000 0.831 939 D CB -0.306 40.536 40.800 0.069 0.000 1.001 939 D HN 0.423 nan 8.370 nan 0.000 0.499 940 N N -0.351 118.373 118.700 0.040 0.000 2.929 940 N HA -0.139 4.599 4.740 -0.003 0.000 0.234 940 N C -0.758 174.776 175.510 0.040 0.000 0.908 940 N CA 0.649 53.720 53.050 0.035 0.000 0.993 940 N CB -0.423 38.081 38.487 0.029 0.000 1.075 940 N HN 0.249 nan 8.380 nan 0.000 0.603 941 I N 2.805 123.403 120.570 0.048 0.000 2.315 941 I HA 0.304 4.473 4.170 -0.003 0.000 0.291 941 I C -1.923 174.227 176.117 0.056 0.000 1.006 941 I CA -1.664 59.666 61.300 0.051 0.000 1.265 941 I CB 0.717 38.751 38.000 0.055 0.000 1.387 941 I HN -0.075 nan 8.210 nan 0.000 0.475 942 P HA 0.107 nan 4.420 nan 0.000 0.272 942 P C 0.077 177.407 177.300 0.050 0.000 1.223 942 P CA -0.111 63.019 63.100 0.049 0.000 0.784 942 P CB 1.207 32.928 31.700 0.036 0.000 0.923 943 D N 1.771 122.204 120.400 0.055 0.000 2.204 943 D HA -0.233 4.405 4.640 -0.003 0.000 0.189 943 D C 1.727 178.039 176.300 0.021 0.000 1.006 943 D CA 1.906 55.932 54.000 0.044 0.000 0.855 943 D CB -0.982 39.840 40.800 0.036 0.000 0.946 943 D HN 0.471 nan 8.370 nan 0.000 0.448 944 I N -0.459 120.115 120.570 0.006 0.000 2.248 944 I HA -0.181 3.988 4.170 -0.003 0.000 0.248 944 I C 1.293 177.417 176.117 0.012 0.000 1.107 944 I CA 1.607 62.902 61.300 -0.007 0.000 1.373 944 I CB -0.447 37.540 38.000 -0.023 0.000 1.055 944 I HN -0.159 nan 8.210 nan 0.000 0.418 945 D N 0.097 120.514 120.400 0.028 0.000 2.349 945 D HA 0.045 4.683 4.640 -0.003 0.000 0.214 945 D C 0.185 176.512 176.300 0.044 0.000 1.063 945 D CA 0.399 54.423 54.000 0.040 0.000 0.847 945 D CB -0.059 40.772 40.800 0.052 0.000 0.933 945 D HN 0.361 nan 8.370 nan 0.000 0.513 946 D N 0.870 121.298 120.400 0.047 0.000 2.274 946 D HA 0.033 4.671 4.640 -0.003 0.000 0.239 946 D C 1.607 177.949 176.300 0.070 0.000 1.104 946 D CA -0.355 53.683 54.000 0.063 0.000 0.840 946 D CB 2.082 42.925 40.800 0.073 0.000 1.100 946 D HN -0.135 nan 8.370 nan 0.000 0.477 947 V N 1.222 121.189 119.914 0.090 0.000 3.041 947 V HA 0.095 4.213 4.120 -0.003 0.000 0.260 947 V C 0.702 176.893 176.094 0.161 0.000 1.105 947 V CA 0.346 62.718 62.300 0.120 0.000 1.125 947 V CB -0.578 31.329 31.823 0.139 0.000 0.730 947 V HN 0.569 nan 8.190 nan 0.000 0.479 948 c N 2.147 120.836 118.600 0.148 0.000 3.328 948 c HA 0.474 5.043 4.570 -0.003 0.000 0.230 948 c C -1.124 173.039 174.090 0.121 0.000 1.232 948 c CA -0.575 55.841 56.329 0.145 0.000 1.431 948 c CB 0.881 43.489 42.510 0.163 0.000 1.818 948 c HN 0.355 nan 8.230 nan 0.000 0.484 949 P HA -0.122 nan 4.420 nan 0.000 0.221 949 P C 0.473 177.860 177.300 0.144 0.000 1.145 949 P CA 1.536 64.692 63.100 0.093 0.000 0.795 949 P CB 0.346 32.065 31.700 0.031 0.000 0.775 950 E N -0.480 119.795 120.200 0.125 0.000 2.651 950 E HA 0.179 4.527 4.350 -0.003 0.000 0.213 950 E C -0.024 176.698 176.600 0.203 0.000 1.028 950 E CA -0.232 56.284 56.400 0.193 0.000 1.183 950 E CB -0.151 29.607 29.700 0.098 0.000 1.188 950 E HN 0.039 nan 8.360 nan 0.000 0.444 951 N N 1.546 120.385 118.700 0.232 0.000 2.599 951 N HA -0.007 4.731 4.740 -0.003 0.000 0.283 951 N C -0.071 175.602 175.510 0.272 0.000 1.160 951 N CA -0.361 52.887 53.050 0.330 0.000 0.869 951 N CB 0.748 39.341 38.487 0.177 0.000 1.448 951 N HN 0.027 nan 8.380 nan 0.000 0.535 952 N N 2.502 121.441 118.700 0.399 0.000 2.571 952 N HA -0.009 4.730 4.740 -0.003 0.000 0.189 952 N C 0.802 176.362 175.510 0.083 0.000 1.154 952 N CA 1.010 54.180 53.050 0.200 0.000 0.907 952 N CB 0.117 38.744 38.487 0.234 0.000 0.977 952 N HN 0.385 nan 8.380 nan 0.000 0.449 953 A N -0.346 122.494 122.820 0.034 0.000 2.303 953 A HA 0.436 4.754 4.320 -0.003 0.000 0.217 953 A C 0.337 177.916 177.584 -0.009 0.000 1.205 953 A CA -0.145 51.881 52.037 -0.019 0.000 0.875 953 A CB 0.157 19.107 19.000 -0.082 0.000 0.910 953 A HN 0.253 nan 8.150 nan 0.000 0.501 954 I N -1.107 119.478 120.570 0.025 0.000 2.533 954 I HA 0.376 4.545 4.170 -0.003 0.000 0.290 954 I C 0.272 176.448 176.117 0.098 0.000 1.056 954 I CA -0.232 61.101 61.300 0.055 0.000 1.057 954 I CB 2.596 40.618 38.000 0.036 0.000 1.240 954 I HN -0.035 nan 8.210 nan 0.000 0.423 955 S N 2.508 118.269 115.700 0.102 0.000 2.658 955 S HA 0.220 4.688 4.470 -0.003 0.000 0.277 955 S C -0.196 174.451 174.600 0.079 0.000 1.078 955 S CA -0.244 58.011 58.200 0.092 0.000 1.124 955 S CB 0.712 63.955 63.200 0.071 0.000 1.016 955 S HN 0.648 nan 8.310 nan 0.000 0.543 956 E N 1.602 121.845 120.200 0.072 0.000 2.266 956 E HA 0.477 4.825 4.350 -0.003 0.000 0.268 956 E C -1.162 175.406 176.600 -0.053 0.000 0.879 956 E CA -0.458 55.946 56.400 0.006 0.000 0.762 956 E CB 1.126 30.827 29.700 0.002 0.000 1.199 956 E HN -0.111 nan 8.360 nan 0.000 0.422 957 T N 2.266 116.650 114.554 -0.285 0.000 2.784 957 T HA 0.208 4.556 4.350 -0.003 0.000 0.291 957 T C -0.688 173.798 174.700 -0.356 0.000 0.942 957 T CA 0.204 61.857 62.100 -0.746 0.000 1.161 957 T CB -0.090 68.333 68.868 -0.743 0.000 0.885 957 T HN 0.306 nan 8.240 nan 0.000 0.534 958 D N 2.421 122.669 120.400 -0.254 0.000 2.323 958 D HA 0.203 4.842 4.640 -0.003 0.000 0.242 958 D C -0.413 175.853 176.300 -0.057 0.000 1.347 958 D CA -0.671 53.290 54.000 -0.065 0.000 0.988 958 D CB 0.228 41.039 40.800 0.019 0.000 1.314 958 D HN 0.393 nan 8.370 nan 0.000 0.564 959 F N 1.580 121.611 119.950 0.135 0.000 2.773 959 F HA 0.245 4.771 4.527 -0.003 0.000 0.304 959 F C 2.276 178.213 175.800 0.229 0.000 1.129 959 F CA -0.161 57.933 58.000 0.157 0.000 1.378 959 F CB 0.291 39.337 39.000 0.077 0.000 1.095 959 F HN 0.146 nan 8.300 nan 0.000 0.565 960 R N 0.292 120.977 120.500 0.309 0.000 2.103 960 R HA -0.137 4.202 4.340 -0.003 0.000 0.242 960 R C 0.177 176.610 176.300 0.221 0.000 1.142 960 R CA 1.027 57.289 56.100 0.269 0.000 0.960 960 R CB -0.259 30.142 30.300 0.170 0.000 0.858 960 R HN 0.152 nan 8.270 nan 0.000 0.439 961 N N 0.479 119.303 118.700 0.207 0.000 2.437 961 N HA 0.168 4.907 4.740 -0.003 0.000 0.259 961 N C -1.125 174.503 175.510 0.196 0.000 0.983 961 N CA -0.108 53.036 53.050 0.158 0.000 0.937 961 N CB 1.336 39.984 38.487 0.268 0.000 1.122 961 N HN -0.036 nan 8.380 nan 0.000 0.499 962 F N -0.864 119.092 119.950 0.009 0.000 2.588 962 F HA 0.427 4.953 4.527 -0.002 0.000 0.310 962 F C -0.038 175.551 175.800 -0.352 0.000 1.082 962 F CA -1.252 56.554 58.000 -0.323 0.000 0.929 962 F CB 1.247 40.071 39.000 -0.293 0.000 1.254 962 F HN 0.180 nan 8.300 nan 0.000 0.455 963 Q N 3.669 123.233 119.800 -0.393 0.000 2.286 963 Q HA 0.407 4.745 4.340 -0.003 0.000 0.257 963 Q C -0.928 175.024 176.000 -0.080 0.000 0.941 963 Q CA -0.531 55.148 55.803 -0.207 0.000 0.912 963 Q CB 1.025 29.586 28.738 -0.295 0.000 1.192 963 Q HN 0.828 nan 8.270 nan 0.000 0.410 964 M N 4.364 123.979 119.600 0.025 0.000 2.077 964 M HA 0.233 4.712 4.480 -0.003 0.000 0.348 964 M C -0.945 175.358 176.300 0.004 0.000 1.252 964 M CA -0.569 54.770 55.300 0.064 0.000 1.096 964 M CB 0.942 33.651 32.600 0.182 0.000 1.568 964 M HN 0.302 nan 8.290 nan 0.000 0.456 965 V N 6.030 125.914 119.914 -0.051 0.000 2.304 965 V HA 0.291 4.409 4.120 -0.003 0.000 0.269 965 V C -2.272 173.831 176.094 0.014 0.000 1.036 965 V CA -1.681 60.598 62.300 -0.034 0.000 0.840 965 V CB 0.488 32.244 31.823 -0.111 0.000 1.036 965 V HN 0.614 nan 8.190 nan 0.000 0.466 966 P HA 0.316 nan 4.420 nan 0.000 0.282 966 P C 0.505 177.822 177.300 0.029 0.000 1.274 966 P CA -0.117 63.002 63.100 0.031 0.000 0.770 966 P CB 0.999 32.722 31.700 0.038 0.000 0.867 967 L N 1.562 122.790 121.223 0.008 0.000 2.567 967 L HA 0.163 4.502 4.340 -0.003 0.000 0.225 967 L C 0.548 177.422 176.870 0.005 0.000 1.119 967 L CA 0.933 55.787 54.840 0.024 0.000 0.871 967 L CB -0.004 42.076 42.059 0.034 0.000 1.036 967 L HN 0.334 nan 8.230 nan 0.000 0.459 968 D N 0.084 120.479 120.400 -0.008 0.000 2.823 968 D HA 0.181 4.819 4.640 -0.003 0.000 0.255 968 D C -2.636 173.680 176.300 0.027 0.000 1.257 968 D CA -1.336 52.670 54.000 0.010 0.000 0.803 968 D CB 1.129 41.926 40.800 -0.006 0.000 1.384 968 D HN -0.165 nan 8.370 nan 0.000 0.541 969 P HA 0.377 nan 4.420 nan 0.000 0.282 969 P C -0.339 176.986 177.300 0.041 0.000 1.249 969 P CA -0.362 62.760 63.100 0.037 0.000 0.806 969 P CB 1.891 33.613 31.700 0.036 0.000 0.984 970 K N 0.094 120.519 120.400 0.042 0.000 1.684 970 K HA 0.599 4.917 4.320 -0.003 0.000 0.298 970 K C 0.656 177.279 176.600 0.038 0.000 0.860 970 K CA -0.672 55.640 56.287 0.042 0.000 0.413 970 K CB -0.435 32.094 32.500 0.048 0.000 3.134 970 K HN 0.346 nan 8.250 nan 0.000 1.114 971 G N 0.882 109.705 108.800 0.038 0.000 2.930 971 G HA2 0.307 4.266 3.960 -0.003 0.000 0.209 971 G HA3 0.307 4.266 3.960 -0.003 0.000 0.209 971 G C -0.223 174.699 174.900 0.036 0.000 2.018 971 G CA 0.027 45.148 45.100 0.034 0.000 0.751 971 G HN 0.417 nan 8.290 nan 0.000 0.770 972 T N 0.510 115.085 114.554 0.034 0.000 2.770 972 T HA 0.414 4.763 4.350 -0.003 0.000 0.281 972 T C 1.131 175.858 174.700 0.044 0.000 0.981 972 T CA 1.213 63.334 62.100 0.035 0.000 0.955 972 T CB 0.594 69.479 68.868 0.028 0.000 1.060 972 T HN 0.714 nan 8.240 nan 0.000 0.531 973 T N -0.756 113.826 114.554 0.047 0.000 8.285 973 T HA -0.246 4.103 4.350 -0.003 0.000 0.317 973 T C 0.406 175.153 174.700 0.079 0.000 2.029 973 T CA 1.564 63.702 62.100 0.064 0.000 3.092 973 T CB -1.436 67.475 68.868 0.072 0.000 2.254 973 T HN 0.752 nan 8.240 nan 0.000 1.172 974 Q N 1.351 121.189 119.800 0.063 0.000 2.369 974 Q HA 0.508 4.847 4.340 -0.003 0.000 0.247 974 Q C -0.562 175.471 176.000 0.055 0.000 1.083 974 Q CA -0.211 55.629 55.803 0.062 0.000 0.905 974 Q CB -0.006 28.762 28.738 0.050 0.000 1.305 974 Q HN 0.631 nan 8.270 nan 0.000 0.465 975 I N 3.928 124.536 120.570 0.064 0.000 2.328 975 I HA 0.265 4.434 4.170 -0.003 0.000 0.287 975 I C -0.283 175.855 176.117 0.036 0.000 1.012 975 I CA -0.809 60.520 61.300 0.048 0.000 1.195 975 I CB 1.123 39.157 38.000 0.056 0.000 1.350 975 I HN 0.454 nan 8.210 nan 0.000 0.464 976 D N 7.765 128.179 120.400 0.025 0.000 2.313 976 D HA 0.302 4.941 4.640 -0.003 0.000 0.247 976 D C -2.144 174.138 176.300 -0.030 0.000 1.094 976 D CA -1.115 52.896 54.000 0.019 0.000 0.925 976 D CB 1.065 41.892 40.800 0.046 0.000 1.188 976 D HN 0.175 nan 8.370 nan 0.000 0.430 977 P HA 0.044 nan 4.420 nan 0.000 0.271 977 P C -0.338 176.793 177.300 -0.281 0.000 1.238 977 P CA -0.156 62.779 63.100 -0.275 0.000 0.794 977 P CB 0.578 32.057 31.700 -0.369 0.000 0.959 978 N N 0.752 119.157 118.700 -0.490 0.000 2.549 978 N HA 0.178 4.917 4.740 -0.003 0.000 0.281 978 N C -1.740 173.550 175.510 -0.366 0.000 1.084 978 N CA -0.468 52.423 53.050 -0.266 0.000 0.862 978 N CB 0.672 39.074 38.487 -0.143 0.000 1.333 978 N HN 0.254 nan 8.380 nan 0.000 0.523 979 W N 3.092 124.413 121.300 0.036 0.000 2.391 979 W HA 0.480 5.138 4.660 -0.003 0.000 0.311 979 W C -0.002 176.555 176.519 0.063 0.000 1.087 979 W CA -0.725 56.616 57.345 -0.006 0.000 1.209 979 W CB 1.315 30.680 29.460 -0.159 0.000 1.273 979 W HN -0.011 nan 8.180 nan 0.000 0.482 980 V N 5.995 126.037 119.914 0.214 0.000 2.427 980 V HA 0.351 4.469 4.120 -0.003 0.000 0.286 980 V C 0.130 176.333 176.094 0.182 0.000 1.034 980 V CA -0.915 61.481 62.300 0.159 0.000 0.893 980 V CB 0.896 32.749 31.823 0.050 0.000 0.982 980 V HN 0.271 nan 8.190 nan 0.000 0.452 981 I N 5.552 126.245 120.570 0.205 0.000 2.392 981 I HA 0.614 4.782 4.170 -0.003 0.000 0.295 981 I C 0.306 176.522 176.117 0.164 0.000 0.985 981 I CA -0.269 61.156 61.300 0.208 0.000 1.221 981 I CB 1.374 39.532 38.000 0.263 0.000 1.366 981 I HN 0.645 nan 8.210 nan 0.000 0.467 982 R N 1.950 122.554 120.500 0.173 0.000 2.846 982 R HA 0.389 4.727 4.340 -0.003 0.000 0.263 982 R C -0.267 176.185 176.300 0.253 0.000 1.080 982 R CA -1.039 55.166 56.100 0.174 0.000 0.961 982 R CB 1.018 31.405 30.300 0.144 0.000 1.231 982 R HN 0.739 nan 8.270 nan 0.000 0.465 983 H N 1.160 120.292 119.070 0.103 0.000 2.741 983 H HA -0.212 4.342 4.556 -0.003 0.000 0.305 983 H C -0.686 174.703 175.328 0.102 0.000 1.169 983 H CA 0.296 56.407 56.048 0.106 0.000 1.144 983 H CB -0.654 29.180 29.762 0.120 0.000 1.397 983 H HN 0.590 nan 8.280 nan 0.000 0.409 984 Q N -1.092 118.856 119.800 0.247 0.000 2.435 984 Q HA -0.225 4.113 4.340 -0.003 0.000 0.312 984 Q C 1.321 177.406 176.000 0.142 0.000 1.333 984 Q CA 2.016 57.923 55.803 0.173 0.000 0.883 984 Q CB -1.667 27.166 28.738 0.158 0.000 1.170 984 Q HN 1.062 nan 8.270 nan 0.000 0.443 985 G N -1.542 107.362 108.800 0.173 0.000 2.175 985 G HA2 -0.362 3.597 3.960 -0.003 0.000 0.244 985 G HA3 -0.362 3.597 3.960 -0.003 0.000 0.244 985 G C 0.583 175.601 174.900 0.196 0.000 0.982 985 G CA 0.315 45.536 45.100 0.201 0.000 0.641 985 G HN 0.390 nan 8.290 nan 0.000 0.527 986 K N 0.180 120.623 120.400 0.072 0.000 2.372 986 K HA 0.296 4.615 4.320 -0.003 0.000 0.200 986 K C 0.437 177.076 176.600 0.064 0.000 1.022 986 K CA 0.435 56.690 56.287 -0.053 0.000 1.125 986 K CB 0.573 32.737 32.500 -0.559 0.000 0.855 986 K HN 0.503 nan 8.250 nan 0.000 0.524 987 E N 1.286 121.590 120.200 0.174 0.000 2.311 987 E HA 0.250 4.599 4.350 -0.003 0.000 0.281 987 E C -1.548 175.163 176.600 0.185 0.000 0.905 987 E CA -0.482 56.040 56.400 0.203 0.000 0.778 987 E CB 1.124 30.973 29.700 0.248 0.000 1.240 987 E HN -0.021 nan 8.360 nan 0.000 0.410 988 L N 3.221 124.565 121.223 0.202 0.000 2.362 988 L HA 0.696 5.034 4.340 -0.003 0.000 0.271 988 L C -0.757 176.260 176.870 0.246 0.000 1.002 988 L CA -1.358 53.609 54.840 0.212 0.000 0.818 988 L CB 1.988 44.136 42.059 0.148 0.000 1.298 988 L HN 0.312 nan 8.230 nan 0.000 0.420 989 V N 2.097 122.069 119.914 0.098 0.000 2.444 989 V HA 0.325 4.443 4.120 -0.003 0.000 0.294 989 V C -0.267 175.776 176.094 -0.086 0.000 1.022 989 V CA -0.542 61.665 62.300 -0.156 0.000 0.850 989 V CB 1.851 33.372 31.823 -0.503 0.000 0.992 989 V HN 0.685 nan 8.190 nan 0.000 0.426 990 Q N 2.183 121.894 119.800 -0.149 0.000 2.257 990 Q HA 0.421 4.759 4.340 -0.003 0.000 0.255 990 Q C 0.352 176.177 176.000 -0.293 0.000 0.920 990 Q CA 0.024 55.578 55.803 -0.416 0.000 0.927 990 Q CB 2.072 30.423 28.738 -0.645 0.000 1.229 990 Q HN 0.831 nan 8.270 nan 0.000 0.433 991 T N 1.151 115.539 114.554 -0.277 0.000 3.046 991 T HA 0.292 4.641 4.350 -0.003 0.000 0.242 991 T C 0.208 174.833 174.700 -0.124 0.000 1.018 991 T CA 0.632 62.636 62.100 -0.160 0.000 1.131 991 T CB 0.324 69.121 68.868 -0.119 0.000 0.904 991 T HN 0.657 nan 8.240 nan 0.000 0.459 992 A N 1.885 124.616 122.820 -0.149 0.000 2.257 992 A HA 0.595 4.914 4.320 -0.003 0.000 0.289 992 A C 0.087 177.637 177.584 -0.056 0.000 1.095 992 A CA -0.516 51.468 52.037 -0.088 0.000 0.836 992 A CB 0.165 19.115 19.000 -0.083 0.000 1.111 992 A HN 0.244 nan 8.150 nan 0.000 0.497 993 N N 0.740 119.438 118.700 -0.004 0.000 2.602 993 N HA 0.252 4.990 4.740 -0.003 0.000 0.238 993 N C -0.349 175.216 175.510 0.091 0.000 1.084 993 N CA 0.283 53.367 53.050 0.055 0.000 0.952 993 N CB 0.128 38.650 38.487 0.058 0.000 1.244 993 N HN 0.689 nan 8.380 nan 0.000 0.512 994 S N 1.627 117.383 115.700 0.093 0.000 2.704 994 S HA 0.487 4.956 4.470 -0.003 0.000 0.305 994 S C -0.255 174.437 174.600 0.153 0.000 1.107 994 S CA -0.905 57.341 58.200 0.076 0.000 0.993 994 S CB 1.404 64.586 63.200 -0.030 0.000 1.110 994 S HN 0.300 nan 8.310 nan 0.000 0.534 995 D N 2.417 122.877 120.400 0.100 0.000 2.364 995 D HA 0.232 4.871 4.640 -0.003 0.000 0.236 995 D C -2.205 174.004 176.300 -0.153 0.000 1.221 995 D CA -0.626 53.398 54.000 0.040 0.000 0.891 995 D CB -0.160 40.650 40.800 0.017 0.000 1.190 995 D HN 0.418 nan 8.370 nan 0.000 0.449 996 P HA 0.208 nan 4.420 nan 0.000 0.268 996 P C -0.176 176.943 177.300 -0.302 0.000 1.205 996 P CA -0.092 62.578 63.100 -0.718 0.000 0.771 996 P CB 0.723 31.717 31.700 -1.177 0.000 0.858 997 G N 1.622 110.257 108.800 -0.275 0.000 2.632 997 G HA2 0.603 4.561 3.960 -0.003 0.000 0.292 997 G HA3 0.603 4.561 3.960 -0.003 0.000 0.292 997 G C -1.657 173.249 174.900 0.012 0.000 1.465 997 G CA -0.719 44.347 45.100 -0.055 0.000 0.824 997 G HN 0.389 nan 8.290 nan 0.000 0.509 998 I N 0.312 120.897 120.570 0.025 0.000 2.569 998 I HA 0.672 4.840 4.170 -0.003 0.000 0.296 998 I C 0.312 176.265 176.117 -0.274 0.000 1.028 998 I CA -1.217 60.035 61.300 -0.081 0.000 1.082 998 I CB 2.489 40.361 38.000 -0.213 0.000 1.264 998 I HN 0.632 nan 8.210 nan 0.000 0.429 999 A N 5.598 128.013 122.820 -0.675 0.000 2.280 999 A HA 0.647 4.965 4.320 -0.003 0.000 0.320 999 A C -0.306 176.876 177.584 -0.670 0.000 1.366 999 A CA -0.563 50.898 52.037 -0.961 0.000 0.938 999 A CB 0.531 18.188 19.000 -2.238 0.000 1.157 999 A HN 0.653 nan 8.150 nan 0.000 0.536 1000 V N 1.873 121.488 119.914 -0.498 0.000 2.427 1000 V HA 0.879 4.997 4.120 -0.003 0.000 0.286 1000 V C 0.578 176.457 176.094 -0.357 0.000 1.034 1000 V CA 0.092 62.123 62.300 -0.448 0.000 0.893 1000 V CB 0.906 32.282 31.823 -0.746 0.000 0.982 1000 V HN 0.981 nan 8.190 nan 0.000 0.452 1001 G N 2.668 111.430 108.800 -0.065 0.000 2.621 1001 G HA2 0.433 4.392 3.960 -0.003 0.000 0.271 1001 G HA3 0.433 4.392 3.960 -0.003 0.000 0.271 1001 G C -0.234 174.458 174.900 -0.346 0.000 1.236 1001 G CA -0.387 44.647 45.100 -0.109 0.000 0.958 1001 G HN 0.715 nan 8.290 nan 0.000 0.512 1002 F N -0.850 119.082 119.950 -0.031 0.000 2.622 1002 F HA 0.199 4.725 4.527 -0.003 0.000 0.288 1002 F C 0.987 176.714 175.800 -0.123 0.000 1.120 1002 F CA -0.271 57.694 58.000 -0.059 0.000 1.423 1002 F CB 0.082 39.055 39.000 -0.046 0.000 1.127 1002 F HN 0.156 nan 8.300 nan 0.000 0.588 1003 D N 1.819 122.194 120.400 -0.041 0.000 2.449 1003 D HA 0.073 4.711 4.640 -0.003 0.000 0.236 1003 D C -0.072 175.919 176.300 -0.514 0.000 1.149 1003 D CA 0.631 54.444 54.000 -0.312 0.000 0.878 1003 D CB 0.602 41.152 40.800 -0.417 0.000 1.198 1003 D HN 0.314 nan 8.370 nan 0.000 0.446 1004 E N 0.322 120.095 120.200 -0.712 0.000 2.277 1004 E HA 0.612 4.960 4.350 -0.003 0.000 0.266 1004 E C -0.823 175.267 176.600 -0.850 0.000 0.901 1004 E CA -0.694 55.394 56.400 -0.520 0.000 0.782 1004 E CB 1.531 31.159 29.700 -0.122 0.000 1.228 1004 E HN 0.216 nan 8.360 nan 0.000 0.424 1005 F N -0.522 119.434 119.950 0.010 0.000 2.613 1005 F HA 0.594 5.120 4.527 -0.003 0.000 0.314 1005 F C 0.896 176.757 175.800 0.103 0.000 1.075 1005 F CA -0.746 57.273 58.000 0.032 0.000 0.945 1005 F CB 1.690 40.686 39.000 -0.006 0.000 1.310 1005 F HN 0.582 nan 8.300 nan 0.000 0.467 1006 G N -0.249 108.720 108.800 0.281 0.000 2.601 1006 G HA2 0.183 4.141 3.960 -0.003 0.000 0.214 1006 G HA3 0.183 4.141 3.960 -0.003 0.000 0.214 1006 G C -0.361 174.644 174.900 0.176 0.000 2.067 1006 G CA -0.244 44.981 45.100 0.209 0.000 0.774 1006 G HN 0.466 nan 8.290 nan 0.000 0.729 1007 S N -0.422 115.342 115.700 0.107 0.000 2.537 1007 S HA 0.441 4.910 4.470 -0.003 0.000 0.286 1007 S C -0.549 174.123 174.600 0.119 0.000 1.299 1007 S CA -0.024 58.212 58.200 0.061 0.000 1.067 1007 S CB 1.121 64.352 63.200 0.052 0.000 0.864 1007 S HN 0.569 nan 8.310 nan 0.000 0.494 1008 V N 3.470 123.429 119.914 0.075 0.000 3.120 1008 V HA 0.453 4.571 4.120 -0.003 0.000 0.303 1008 V C -1.949 174.123 176.094 -0.035 0.000 1.238 1008 V CA -0.869 61.436 62.300 0.008 0.000 1.008 1008 V CB 2.680 34.424 31.823 -0.133 0.000 1.064 1008 V HN 0.774 nan 8.190 nan 0.000 0.434 1009 D N 4.385 124.756 120.400 -0.049 0.000 2.391 1009 D HA 0.543 5.182 4.640 -0.003 0.000 0.245 1009 D C -1.392 174.896 176.300 -0.020 0.000 1.069 1009 D CA 0.211 54.151 54.000 -0.100 0.000 0.831 1009 D CB 1.729 42.506 40.800 -0.039 0.000 1.204 1009 D HN 0.356 nan 8.370 nan 0.000 0.503 1010 F N 2.372 122.157 119.950 -0.276 0.000 2.507 1010 F HA 0.516 5.042 4.527 -0.003 0.000 0.328 1010 F C -0.805 174.897 175.800 -0.162 0.000 1.136 1010 F CA -1.287 56.631 58.000 -0.137 0.000 0.930 1010 F CB 1.160 40.108 39.000 -0.087 0.000 1.166 1010 F HN 0.229 nan 8.300 nan 0.000 0.436 1011 S N 3.653 119.194 115.700 -0.265 0.000 2.547 1011 S HA 0.985 5.454 4.470 -0.003 0.000 0.281 1011 S C -0.660 173.243 174.600 -1.162 0.000 1.118 1011 S CA -0.487 57.290 58.200 -0.706 0.000 0.947 1011 S CB 1.720 64.821 63.200 -0.166 0.000 1.053 1011 S HN 1.119 nan 8.310 nan 0.000 0.482 1012 G N 0.457 107.881 108.800 -2.294 0.000 2.690 1012 G HA2 0.620 4.578 3.960 -0.003 0.000 0.291 1012 G HA3 0.620 4.578 3.960 -0.003 0.000 0.291 1012 G C -1.300 172.814 174.900 -1.310 0.000 1.403 1012 G CA -0.684 43.238 45.100 -1.964 0.000 0.864 1012 G HN 0.706 nan 8.290 nan 0.000 0.480 1013 T N 0.986 115.229 114.554 -0.518 0.000 2.767 1013 T HA 0.450 4.799 4.350 -0.003 0.000 0.288 1013 T C -1.057 173.793 174.700 0.250 0.000 0.963 1013 T CA 0.042 62.103 62.100 -0.064 0.000 1.019 1013 T CB 0.720 69.576 68.868 -0.019 0.000 0.923 1013 T HN 0.353 nan 8.240 nan 0.000 0.468 1014 F N 4.621 124.770 119.950 0.332 0.000 2.436 1014 F HA 0.641 5.166 4.527 -0.003 0.000 0.340 1014 F C -1.069 174.909 175.800 0.297 0.000 1.113 1014 F CA -1.021 57.205 58.000 0.376 0.000 1.022 1014 F CB 0.825 40.170 39.000 0.575 0.000 1.128 1014 F HN 0.602 nan 8.300 nan 0.000 0.466 1015 Y N 5.418 125.313 120.300 -0.673 0.000 2.333 1015 Y HA 0.467 5.015 4.550 -0.003 0.000 0.319 1015 Y C -1.950 173.532 175.900 -0.697 0.000 1.200 1015 Y CA -1.010 56.782 58.100 -0.513 0.000 1.084 1015 Y CB 1.396 39.703 38.460 -0.255 0.000 1.268 1015 Y HN 0.367 nan 8.280 nan 0.000 0.422 1016 V N 5.887 125.167 119.914 -1.058 0.000 2.288 1016 V HA 0.131 4.249 4.120 -0.003 0.000 0.266 1016 V C 0.273 175.911 176.094 -0.760 0.000 1.048 1016 V CA -0.578 61.209 62.300 -0.856 0.000 0.842 1016 V CB 0.698 31.910 31.823 -1.019 0.000 1.064 1016 V HN 0.725 nan 8.190 nan 0.000 0.472 1017 N N 3.781 122.265 118.700 -0.361 0.000 2.906 1017 N HA 0.073 4.812 4.740 -0.003 0.000 0.282 1017 N C -0.044 175.340 175.510 -0.210 0.000 1.293 1017 N CA 0.413 53.348 53.050 -0.192 0.000 1.059 1017 N CB -0.039 38.406 38.487 -0.070 0.000 1.388 1017 N HN 0.764 nan 8.380 nan 0.000 0.533 1018 T N -1.592 112.575 114.554 -0.645 0.000 2.749 1018 T HA 0.190 4.538 4.350 -0.003 0.000 0.310 1018 T C -0.860 173.532 174.700 -0.514 0.000 1.496 1018 T CA -0.574 61.299 62.100 -0.378 0.000 1.006 1018 T CB 0.538 69.335 68.868 -0.119 0.000 1.457 1018 T HN 0.237 nan 8.240 nan 0.000 0.497 1019 D N -0.097 120.214 120.400 -0.148 0.000 2.407 1019 D HA 0.150 4.789 4.640 -0.003 0.000 0.208 1019 D C 0.518 176.801 176.300 -0.028 0.000 1.083 1019 D CA -0.277 53.679 54.000 -0.073 0.000 0.844 1019 D CB 0.125 40.964 40.800 0.064 0.000 0.967 1019 D HN 0.381 nan 8.370 nan 0.000 0.506 1020 R N 1.796 122.286 120.500 -0.018 0.000 2.449 1020 R HA 0.282 4.621 4.340 -0.003 0.000 0.296 1020 R C 0.033 176.339 176.300 0.011 0.000 1.047 1020 R CA 0.001 56.098 56.100 -0.005 0.000 1.018 1020 R CB 0.059 30.359 30.300 -0.001 0.000 0.962 1020 R HN 0.094 nan 8.270 nan 0.000 0.428 1021 D N 1.102 121.504 120.400 0.004 0.000 10.605 1021 D HA -0.147 4.491 4.640 -0.003 0.000 0.353 1021 D C -1.098 175.197 176.300 -0.007 0.000 3.115 1021 D CA 1.110 55.123 54.000 0.022 0.000 2.585 1021 D CB 0.093 40.937 40.800 0.073 0.000 1.232 1021 D HN 0.823 nan 8.370 nan 0.000 0.955 1022 D N -0.139 120.245 120.400 -0.028 0.000 2.996 1022 D HA 0.286 4.924 4.640 -0.003 0.000 0.343 1022 D C -0.513 175.653 176.300 -0.223 0.000 1.574 1022 D CA -0.275 53.581 54.000 -0.240 0.000 0.773 1022 D CB 0.116 40.751 40.800 -0.274 0.000 1.241 1022 D HN 0.139 nan 8.370 nan 0.000 0.469 1023 D N -0.255 120.160 120.400 0.024 0.000 2.577 1023 D HA 0.319 4.958 4.640 -0.003 0.000 0.248 1023 D C -0.336 176.004 176.300 0.066 0.000 1.181 1023 D CA -0.391 53.558 54.000 -0.085 0.000 1.083 1023 D CB 0.199 41.086 40.800 0.144 0.000 1.198 1023 D HN 0.030 nan 8.370 nan 0.000 0.626 1024 Y N -0.325 120.078 120.300 0.171 0.000 2.352 1024 Y HA 0.554 5.102 4.550 -0.003 0.000 0.326 1024 Y C 0.465 176.578 175.900 0.355 0.000 1.166 1024 Y CA -0.430 57.833 58.100 0.271 0.000 1.182 1024 Y CB 1.536 40.134 38.460 0.230 0.000 1.216 1024 Y HN 0.293 nan 8.280 nan 0.000 0.474 1025 A N 1.159 124.362 122.820 0.638 0.000 2.567 1025 A HA 0.960 5.279 4.320 -0.003 0.000 0.289 1025 A C -0.305 177.675 177.584 0.659 0.000 1.177 1025 A CA -0.116 52.303 52.037 0.636 0.000 0.694 1025 A CB 1.502 20.866 19.000 0.606 0.000 1.292 1025 A HN 1.146 nan 8.150 nan 0.000 0.425 1026 G N -1.742 107.486 108.800 0.713 0.000 2.356 1026 G HA2 0.575 4.533 3.960 -0.003 0.000 0.266 1026 G HA3 0.575 4.533 3.960 -0.003 0.000 0.266 1026 G C -1.164 173.894 174.900 0.264 0.000 1.312 1026 G CA 0.026 45.340 45.100 0.355 0.000 0.922 1026 G HN 2.091 nan 8.290 nan 0.000 0.480 1027 F N -0.827 119.057 119.950 -0.111 0.000 2.613 1027 F HA 0.847 5.372 4.527 -0.003 0.000 0.314 1027 F C -0.048 175.780 175.800 0.047 0.000 1.075 1027 F CA -1.169 56.769 58.000 -0.104 0.000 0.945 1027 F CB 1.737 40.546 39.000 -0.318 0.000 1.310 1027 F HN 0.953 nan 8.300 nan 0.000 0.467 1028 V N 1.117 121.169 119.914 0.230 0.000 2.630 1028 V HA 0.866 4.985 4.120 -0.003 0.000 0.305 1028 V C -0.954 175.408 176.094 0.447 0.000 1.046 1028 V CA -0.889 61.514 62.300 0.171 0.000 0.934 1028 V CB 1.349 33.161 31.823 -0.017 0.000 1.003 1028 V HN 1.074 nan 8.190 nan 0.000 0.451 1029 F N 0.647 120.770 119.950 0.289 0.000 2.650 1029 F HA 0.926 5.452 4.527 -0.003 0.000 0.320 1029 F C 0.820 176.789 175.800 0.282 0.000 1.091 1029 F CA -0.653 57.496 58.000 0.250 0.000 0.962 1029 F CB 1.253 40.373 39.000 0.201 0.000 1.363 1029 F HN 1.303 nan 8.300 nan 0.000 0.482 1030 G N 0.378 109.421 108.800 0.406 0.000 2.258 1030 G HA2 -0.365 3.594 3.960 -0.003 0.000 0.274 1030 G HA3 -0.365 3.594 3.960 -0.003 0.000 0.274 1030 G C -0.406 174.565 174.900 0.119 0.000 1.021 1030 G CA 0.435 45.732 45.100 0.330 0.000 0.798 1030 G HN 1.125 nan 8.290 nan 0.000 0.507 1031 Y N 0.510 120.832 120.300 0.037 0.000 2.544 1031 Y HA 0.373 4.921 4.550 -0.003 0.000 0.330 1031 Y C 1.370 177.209 175.900 -0.102 0.000 1.136 1031 Y CA 1.129 59.196 58.100 -0.055 0.000 1.417 1031 Y CB 0.613 39.002 38.460 -0.117 0.000 1.229 1031 Y HN 0.361 nan 8.280 nan 0.000 0.532 1032 Q N 2.865 122.287 119.800 -0.629 0.000 2.589 1032 Q HA 0.168 4.506 4.340 -0.003 0.000 0.216 1032 Q C -0.220 175.432 176.000 -0.581 0.000 0.774 1032 Q CA 0.413 55.944 55.803 -0.453 0.000 0.909 1032 Q CB 0.735 29.205 28.738 -0.447 0.000 1.283 1032 Q HN 0.677 nan 8.270 nan 0.000 0.597 1033 S N -0.584 114.638 115.700 -0.797 0.000 2.697 1033 S HA 0.277 4.745 4.470 -0.003 0.000 0.289 1033 S C 0.519 174.754 174.600 -0.608 0.000 1.149 1033 S CA -0.165 57.701 58.200 -0.556 0.000 0.850 1033 S CB 1.389 64.433 63.200 -0.259 0.000 1.151 1033 S HN 0.177 nan 8.310 nan 0.000 0.491 1034 S N 0.093 115.708 115.700 -0.141 0.000 2.603 1034 S HA 0.068 4.536 4.470 -0.003 0.000 0.229 1034 S C 0.795 175.493 174.600 0.165 0.000 0.972 1034 S CA 0.570 58.840 58.200 0.116 0.000 0.935 1034 S CB -0.709 62.586 63.200 0.159 0.000 0.769 1034 S HN 0.628 nan 8.310 nan 0.000 0.536 1035 S N 0.623 116.306 115.700 -0.028 0.000 2.603 1035 S HA 0.339 4.807 4.470 -0.003 0.000 0.232 1035 S C 0.132 174.599 174.600 -0.221 0.000 1.016 1035 S CA -0.670 57.475 58.200 -0.091 0.000 0.976 1035 S CB 0.417 63.571 63.200 -0.075 0.000 0.921 1035 S HN 0.455 nan 8.310 nan 0.000 0.516 1036 R N 1.453 121.755 120.500 -0.329 0.000 2.545 1036 R HA 0.541 4.879 4.340 -0.003 0.000 0.289 1036 R C -1.458 174.368 176.300 -0.789 0.000 1.327 1036 R CA -0.397 55.302 56.100 -0.668 0.000 1.040 1036 R CB 0.834 30.642 30.300 -0.820 0.000 1.176 1036 R HN 0.332 nan 8.270 nan 0.000 0.518 1037 F N -1.296 118.239 119.950 -0.691 0.000 2.744 1037 F HA 0.437 4.962 4.527 -0.002 0.000 0.311 1037 F C -1.671 173.825 175.800 -0.507 0.000 1.144 1037 F CA -1.588 56.061 58.000 -0.585 0.000 0.938 1037 F CB 0.808 39.587 39.000 -0.369 0.000 1.292 1037 F HN 0.071 nan 8.300 nan 0.000 0.444 1038 Y N 1.676 121.783 120.300 -0.321 0.000 2.308 1038 Y HA 0.625 5.174 4.550 -0.003 0.000 0.329 1038 Y C -0.081 175.511 175.900 -0.513 0.000 1.111 1038 Y CA -0.857 56.846 58.100 -0.662 0.000 1.179 1038 Y CB 1.778 39.279 38.460 -1.599 0.000 1.201 1038 Y HN 0.692 nan 8.280 nan 0.000 0.483 1039 V N 4.508 124.280 119.914 -0.236 0.000 2.709 1039 V HA 0.666 4.784 4.120 -0.003 0.000 0.308 1039 V C -1.548 174.352 176.094 -0.324 0.000 1.062 1039 V CA -0.742 61.410 62.300 -0.246 0.000 0.901 1039 V CB 2.006 33.683 31.823 -0.244 0.000 1.003 1039 V HN 0.492 nan 8.190 nan 0.000 0.425 1040 V N 8.168 127.760 119.914 -0.538 0.000 2.378 1040 V HA 0.563 4.682 4.120 -0.003 0.000 0.288 1040 V C 0.120 175.963 176.094 -0.418 0.000 1.016 1040 V CA -0.383 61.593 62.300 -0.541 0.000 0.840 1040 V CB 1.258 32.523 31.823 -0.929 0.000 0.994 1040 V HN 0.947 nan 8.190 nan 0.000 0.431 1041 M N 3.008 122.504 119.600 -0.173 0.000 2.644 1041 M HA 0.761 5.240 4.480 -0.003 0.000 0.304 1041 M C -1.979 174.505 176.300 0.306 0.000 1.215 1041 M CA -0.584 54.777 55.300 0.102 0.000 0.871 1041 M CB 3.212 35.832 32.600 0.033 0.000 1.740 1041 M HN 0.601 nan 8.290 nan 0.000 0.464 1042 W N 2.977 124.441 121.300 0.273 0.000 2.802 1042 W HA 0.566 5.224 4.660 -0.003 0.000 0.331 1042 W C -1.721 175.001 176.519 0.339 0.000 1.021 1042 W CA -1.133 56.324 57.345 0.186 0.000 1.259 1042 W CB 1.539 30.964 29.460 -0.058 0.000 1.323 1042 W HN 0.869 nan 8.180 nan 0.000 0.432 1043 K N 3.120 123.675 120.400 0.258 0.000 2.110 1043 K HA 0.201 4.519 4.320 -0.003 0.000 0.263 1043 K C 0.958 177.210 176.600 -0.580 0.000 0.975 1043 K CA -0.214 55.845 56.287 -0.380 0.000 0.895 1043 K CB 1.971 33.860 32.500 -1.020 0.000 1.060 1043 K HN 0.641 nan 8.250 nan 0.000 0.448 1044 Q N 1.741 120.927 119.800 -1.023 0.000 2.061 1044 Q HA 0.037 4.375 4.340 -0.003 0.000 0.195 1044 Q C -0.532 175.082 176.000 -0.643 0.000 0.967 1044 Q CA 0.820 55.847 55.803 -1.292 0.000 0.829 1044 Q CB 0.562 28.169 28.738 -1.886 0.000 0.900 1044 Q HN 0.393 nan 8.270 nan 0.000 0.450 1045 V N 1.731 121.350 119.914 -0.492 0.000 2.483 1045 V HA 0.229 4.348 4.120 -0.003 0.000 0.297 1045 V C -0.513 175.431 176.094 -0.250 0.000 1.027 1045 V CA -0.847 61.270 62.300 -0.305 0.000 0.855 1045 V CB 1.557 33.235 31.823 -0.241 0.000 0.995 1045 V HN 0.165 nan 8.190 nan 0.000 0.424 1046 T N 5.377 119.797 114.554 -0.223 0.000 2.800 1046 T HA 0.131 4.480 4.350 -0.003 0.000 0.283 1046 T C -0.138 174.471 174.700 -0.152 0.000 0.999 1046 T CA 0.880 62.828 62.100 -0.254 0.000 1.176 1046 T CB -0.133 68.479 68.868 -0.426 0.000 0.973 1046 T HN 0.795 nan 8.240 nan 0.000 0.519 1047 Q N 2.514 122.304 119.800 -0.017 0.000 2.295 1047 Q HA 0.339 4.677 4.340 -0.003 0.000 0.268 1047 Q C -0.670 175.576 176.000 0.410 0.000 1.010 1047 Q CA -0.743 55.165 55.803 0.176 0.000 0.856 1047 Q CB 1.911 30.803 28.738 0.258 0.000 1.349 1047 Q HN 0.644 nan 8.270 nan 0.000 0.412 1048 T N 2.495 117.241 114.554 0.320 0.000 2.884 1048 T HA 0.161 4.510 4.350 -0.003 0.000 0.298 1048 T C -0.373 174.390 174.700 0.104 0.000 0.998 1048 T CA -0.089 62.194 62.100 0.304 0.000 1.124 1048 T CB 0.101 69.150 68.868 0.301 0.000 0.931 1048 T HN 0.477 nan 8.240 nan 0.000 0.531 1049 Y N 5.147 125.175 120.300 -0.453 0.000 2.702 1049 Y HA 0.191 4.739 4.550 -0.003 0.000 0.336 1049 Y C 0.776 176.304 175.900 -0.620 0.000 1.235 1049 Y CA -1.146 56.243 58.100 -1.185 0.000 1.492 1049 Y CB 0.368 37.840 38.460 -1.647 0.000 1.308 1049 Y HN 0.895 nan 8.280 nan 0.000 0.589 1050 W N 2.492 123.169 121.300 -1.038 0.000 3.434 1050 W HA 0.354 5.012 4.660 -0.003 0.000 0.297 1050 W C -0.606 175.532 176.519 -0.635 0.000 1.295 1050 W CA -0.507 56.445 57.345 -0.654 0.000 1.731 1050 W CB -0.258 28.907 29.460 -0.492 0.000 1.070 1050 W HN 0.425 nan 8.180 nan 0.000 0.726 1051 E N 1.366 121.002 120.200 -0.941 0.000 2.186 1051 E HA 0.078 4.427 4.350 -0.003 0.000 0.255 1051 E C 0.449 176.890 176.600 -0.266 0.000 0.881 1051 E CA -0.241 55.873 56.400 -0.476 0.000 0.752 1051 E CB 0.935 30.360 29.700 -0.459 0.000 1.176 1051 E HN -0.022 nan 8.360 nan 0.000 0.421 1052 D N 2.157 122.457 120.400 -0.167 0.000 2.178 1052 D HA -0.160 4.478 4.640 -0.003 0.000 0.201 1052 D C 0.169 176.402 176.300 -0.111 0.000 0.980 1052 D CA 1.128 55.056 54.000 -0.121 0.000 0.842 1052 D CB 0.163 40.919 40.800 -0.074 0.000 0.948 1052 D HN 0.336 nan 8.370 nan 0.000 0.472 1053 Q N 0.239 119.974 119.800 -0.107 0.000 2.230 1053 Q HA 0.195 4.533 4.340 -0.003 0.000 0.248 1053 Q C -1.575 174.338 176.000 -0.145 0.000 0.915 1053 Q CA -1.754 53.980 55.803 -0.116 0.000 0.900 1053 Q CB 1.455 30.137 28.738 -0.094 0.000 1.229 1053 Q HN 0.071 nan 8.270 nan 0.000 0.439 1054 P HA -0.076 nan 4.420 nan 0.000 0.218 1054 P C 0.031 177.235 177.300 -0.161 0.000 1.152 1054 P CA 1.133 64.068 63.100 -0.276 0.000 0.826 1054 P CB 0.434 31.735 31.700 -0.665 0.000 0.790 1055 T N -3.336 111.129 114.554 -0.148 0.000 2.909 1055 T HA 0.546 4.895 4.350 -0.003 0.000 0.299 1055 T C -0.417 174.200 174.700 -0.137 0.000 1.073 1055 T CA -1.077 60.954 62.100 -0.115 0.000 0.999 1055 T CB 2.115 70.921 68.868 -0.103 0.000 1.098 1055 T HN -0.245 nan 8.240 nan 0.000 0.477 1056 R N 0.850 121.259 120.500 -0.153 0.000 2.623 1056 R HA 0.590 4.929 4.340 -0.003 0.000 0.271 1056 R C -0.340 175.757 176.300 -0.337 0.000 1.043 1056 R CA 0.301 56.244 56.100 -0.262 0.000 1.083 1056 R CB 0.079 30.221 30.300 -0.263 0.000 0.974 1056 R HN 0.984 nan 8.270 nan 0.000 0.436 1057 A N 4.776 127.382 122.820 -0.356 0.000 2.332 1057 A HA 0.402 4.721 4.320 -0.003 0.000 0.300 1057 A C -1.584 175.960 177.584 -0.066 0.000 1.153 1057 A CA -0.592 51.420 52.037 -0.043 0.000 0.764 1057 A CB 0.578 19.615 19.000 0.061 0.000 1.174 1057 A HN 0.745 nan 8.150 nan 0.000 0.467 1058 Y N 1.661 122.221 120.300 0.435 0.000 2.504 1058 Y HA 0.482 5.031 4.550 -0.002 0.000 0.339 1058 Y C 1.184 177.223 175.900 0.231 0.000 0.974 1058 Y CA -0.466 57.801 58.100 0.278 0.000 1.232 1058 Y CB 1.667 40.252 38.460 0.210 0.000 1.108 1058 Y HN 0.733 nan 8.280 nan 0.000 0.509 1059 G N 3.295 112.365 108.800 0.449 0.000 2.356 1059 G HA2 0.275 4.233 3.960 -0.003 0.000 0.300 1059 G HA3 0.275 4.233 3.960 -0.003 0.000 0.300 1059 G C -1.043 173.875 174.900 0.030 0.000 1.107 1059 G CA -0.145 45.021 45.100 0.111 0.000 0.960 1059 G HN 0.456 nan 8.290 nan 0.000 0.418 1060 Y N 1.428 121.689 120.300 -0.065 0.000 2.316 1060 Y HA 0.387 4.936 4.550 -0.003 0.000 0.324 1060 Y C 1.419 177.314 175.900 -0.009 0.000 1.267 1060 Y CA -0.436 57.623 58.100 -0.069 0.000 1.311 1060 Y CB 1.456 39.813 38.460 -0.172 0.000 1.267 1060 Y HN 0.629 nan 8.280 nan 0.000 0.516 1061 S N 0.652 116.423 115.700 0.118 0.000 2.593 1061 S HA 0.713 5.181 4.470 -0.003 0.000 0.269 1061 S C 0.205 174.942 174.600 0.229 0.000 1.334 1061 S CA 0.045 58.287 58.200 0.070 0.000 1.015 1061 S CB 0.831 64.011 63.200 -0.034 0.000 0.912 1061 S HN 1.447 nan 8.310 nan 0.000 0.541 1062 G N -0.385 108.533 108.800 0.196 0.000 2.459 1062 G HA2 0.114 4.073 3.960 -0.003 0.000 0.685 1062 G HA3 0.114 4.073 3.960 -0.003 0.000 0.685 1062 G C -0.976 173.725 174.900 -0.333 0.000 1.303 1062 G CA -0.607 44.432 45.100 -0.101 0.000 0.907 1062 G HN 1.361 nan 8.290 nan 0.000 0.632 1063 V N 0.901 120.332 119.914 -0.806 0.000 2.555 1063 V HA 0.565 4.684 4.120 -0.003 0.000 0.286 1063 V C 0.752 176.469 176.094 -0.629 0.000 1.044 1063 V CA 0.196 62.067 62.300 -0.716 0.000 1.026 1063 V CB 1.214 32.596 31.823 -0.735 0.000 0.981 1063 V HN 0.923 nan 8.190 nan 0.000 0.480 1064 S N 5.121 120.655 115.700 -0.276 0.000 2.513 1064 S HA 0.643 5.111 4.470 -0.003 0.000 0.299 1064 S C -0.681 173.905 174.600 -0.024 0.000 1.087 1064 S CA -0.569 57.539 58.200 -0.153 0.000 1.012 1064 S CB 1.688 64.906 63.200 0.029 0.000 1.044 1064 S HN 0.631 nan 8.310 nan 0.000 0.485 1065 L N 3.272 124.552 121.223 0.094 0.000 2.319 1065 L HA 0.564 4.903 4.340 -0.003 0.000 0.281 1065 L C -1.011 175.896 176.870 0.063 0.000 1.005 1065 L CA -0.360 54.552 54.840 0.120 0.000 0.828 1065 L CB 0.968 43.190 42.059 0.271 0.000 1.227 1065 L HN 0.636 nan 8.230 nan 0.000 0.415 1066 K N 3.152 123.539 120.400 -0.023 0.000 2.340 1066 K HA 0.636 4.954 4.320 -0.003 0.000 0.244 1066 K C -1.461 175.082 176.600 -0.094 0.000 0.973 1066 K CA -0.682 55.566 56.287 -0.064 0.000 0.828 1066 K CB 3.210 35.626 32.500 -0.139 0.000 1.226 1066 K HN 0.292 nan 8.250 nan 0.000 0.437 1067 V N 1.655 121.485 119.914 -0.139 0.000 2.680 1067 V HA 0.500 4.618 4.120 -0.003 0.000 0.309 1067 V C -1.386 174.493 176.094 -0.359 0.000 1.052 1067 V CA -0.682 61.447 62.300 -0.285 0.000 0.908 1067 V CB 1.928 33.608 31.823 -0.238 0.000 1.001 1067 V HN 0.466 nan 8.190 nan 0.000 0.431 1068 V N 5.847 125.455 119.914 -0.510 0.000 2.384 1068 V HA 0.547 4.665 4.120 -0.003 0.000 0.287 1068 V C -0.275 175.652 176.094 -0.279 0.000 1.020 1068 V CA -0.516 61.474 62.300 -0.516 0.000 0.850 1068 V CB 1.522 32.726 31.823 -1.032 0.000 0.987 1068 V HN 0.871 nan 8.190 nan 0.000 0.436 1069 N N 3.005 121.591 118.700 -0.190 0.000 2.762 1069 N HA 0.180 4.918 4.740 -0.003 0.000 0.252 1069 N C -0.633 174.814 175.510 -0.105 0.000 1.269 1069 N CA -0.007 52.985 53.050 -0.097 0.000 0.799 1069 N CB 1.541 39.966 38.487 -0.103 0.000 1.173 1069 N HN 0.604 nan 8.380 nan 0.000 0.516 1070 S N 0.856 116.489 115.700 -0.111 0.000 2.499 1070 S HA 0.239 4.708 4.470 -0.003 0.000 0.279 1070 S C 1.303 175.860 174.600 -0.071 0.000 1.219 1070 S CA -0.267 57.879 58.200 -0.089 0.000 1.062 1070 S CB 0.455 63.607 63.200 -0.081 0.000 0.978 1070 S HN 0.482 nan 8.310 nan 0.000 0.489 1071 T N 0.833 115.344 114.554 -0.072 0.000 3.129 1071 T HA 0.082 4.430 4.350 -0.003 0.000 0.251 1071 T C 1.230 175.881 174.700 -0.081 0.000 1.117 1071 T CA 0.689 62.746 62.100 -0.071 0.000 1.034 1071 T CB -0.400 68.424 68.868 -0.073 0.000 0.968 1071 T HN 0.713 nan 8.240 nan 0.000 0.526 1072 T N -3.009 111.495 114.554 -0.082 0.000 2.954 1072 T HA 0.558 4.907 4.350 -0.003 0.000 0.252 1072 T C 1.351 176.027 174.700 -0.039 0.000 0.983 1072 T CA 0.302 62.352 62.100 -0.084 0.000 0.941 1072 T CB -0.011 68.772 68.868 -0.142 0.000 1.141 1072 T HN 1.005 nan 8.240 nan 0.000 0.500 1073 G N 2.247 111.031 108.800 -0.027 0.000 2.741 1073 G HA2 -0.083 3.875 3.960 -0.003 0.000 0.222 1073 G HA3 -0.083 3.875 3.960 -0.003 0.000 0.222 1073 G C 0.039 174.955 174.900 0.026 0.000 1.364 1073 G CA -0.211 44.888 45.100 -0.001 0.000 0.866 1073 G HN 1.346 nan 8.290 nan 0.000 0.555 1074 T N -0.956 113.624 114.554 0.044 0.000 2.939 1074 T HA 0.557 4.905 4.350 -0.003 0.000 0.312 1074 T C 1.230 175.963 174.700 0.055 0.000 1.064 1074 T CA 1.308 63.442 62.100 0.057 0.000 1.136 1074 T CB 1.063 69.965 68.868 0.056 0.000 1.035 1074 T HN 2.729 nan 8.240 nan 0.000 0.538 1075 G N 2.258 111.094 108.800 0.060 0.000 2.350 1075 G HA2 0.151 4.110 3.960 -0.003 0.000 0.282 1075 G HA3 0.151 4.110 3.960 -0.003 0.000 0.282 1075 G C 0.233 175.177 174.900 0.073 0.000 1.314 1075 G CA 0.043 45.186 45.100 0.072 0.000 0.915 1075 G HN 0.797 nan 8.290 nan 0.000 0.499 1076 E N -0.649 119.595 120.200 0.074 0.000 2.077 1076 E HA -0.192 4.157 4.350 -0.003 0.000 0.193 1076 E C 1.751 178.340 176.600 -0.019 0.000 0.989 1076 E CA 1.872 58.278 56.400 0.009 0.000 0.800 1076 E CB -0.280 29.386 29.700 -0.057 0.000 0.746 1076 E HN 0.626 nan 8.360 nan 0.000 0.452 1077 H N 0.375 119.444 119.070 -0.001 0.000 2.353 1077 H HA -0.064 4.490 4.556 -0.003 0.000 0.300 1077 H C 1.963 177.282 175.328 -0.016 0.000 1.090 1077 H CA 1.614 57.653 56.048 -0.014 0.000 1.327 1077 H CB -0.064 29.686 29.762 -0.019 0.000 1.383 1077 H HN 0.170 nan 8.280 nan 0.000 0.508 1078 L N 0.611 121.909 121.223 0.125 0.000 2.095 1078 L HA -0.028 4.311 4.340 -0.003 0.000 0.204 1078 L C 2.459 179.364 176.870 0.060 0.000 1.080 1078 L CA 1.349 56.228 54.840 0.065 0.000 0.759 1078 L CB -0.502 41.589 42.059 0.054 0.000 0.914 1078 L HN 0.080 nan 8.230 nan 0.000 0.439 1079 R N -0.173 120.355 120.500 0.047 0.000 2.122 1079 R HA -0.256 4.083 4.340 -0.003 0.000 0.236 1079 R C 1.996 178.333 176.300 0.061 0.000 1.129 1079 R CA 2.387 58.508 56.100 0.036 0.000 0.925 1079 R CB -0.523 29.770 30.300 -0.011 0.000 0.850 1079 R HN 0.435 nan 8.270 nan 0.000 0.431 1080 N N 0.533 119.210 118.700 -0.040 0.000 2.104 1080 N HA -0.160 4.578 4.740 -0.003 0.000 0.190 1080 N C 1.638 177.184 175.510 0.059 0.000 1.024 1080 N CA 1.709 54.714 53.050 -0.076 0.000 0.853 1080 N CB -0.563 37.882 38.487 -0.069 0.000 1.008 1080 N HN 0.433 nan 8.380 nan 0.000 0.424 1081 A N 0.931 123.781 122.820 0.050 0.000 1.940 1081 A HA -0.094 4.225 4.320 -0.003 0.000 0.219 1081 A C 2.298 179.937 177.584 0.092 0.000 1.176 1081 A CA 1.028 53.099 52.037 0.057 0.000 0.631 1081 A CB -0.754 18.255 19.000 0.015 0.000 0.814 1081 A HN 0.240 nan 8.150 nan 0.000 0.446 1082 L N -1.897 119.389 121.223 0.105 0.000 2.027 1082 L HA -0.191 4.148 4.340 -0.003 0.000 0.206 1082 L C 2.669 179.584 176.870 0.075 0.000 1.074 1082 L CA 1.443 56.335 54.840 0.088 0.000 0.745 1082 L CB -0.504 41.674 42.059 0.198 0.000 0.898 1082 L HN 0.783 nan 8.230 nan 0.000 0.433 1083 W N 1.010 122.284 121.300 -0.043 0.000 2.358 1083 W HA -0.212 4.447 4.660 -0.003 0.000 0.303 1083 W C 1.011 177.533 176.519 0.004 0.000 1.208 1083 W CA 1.072 58.310 57.345 -0.178 0.000 1.274 1083 W CB -0.453 28.753 29.460 -0.424 0.000 1.138 1083 W HN 0.170 nan 8.180 nan 0.000 0.515 1084 H N 1.215 120.426 119.070 0.235 0.000 2.975 1084 H HA 0.061 4.615 4.556 -0.003 0.000 0.303 1084 H C -0.349 175.049 175.328 0.117 0.000 1.023 1084 H CA 0.819 56.987 56.048 0.199 0.000 1.473 1084 H CB 0.786 30.613 29.762 0.109 0.000 1.498 1084 H HN -0.334 nan 8.280 nan 0.000 0.549 1085 T N 5.118 119.489 114.554 -0.306 0.000 2.743 1085 T HA 0.462 4.810 4.350 -0.003 0.000 0.290 1085 T C 0.393 174.872 174.700 -0.369 0.000 0.908 1085 T CA 0.571 62.510 62.100 -0.269 0.000 1.092 1085 T CB -0.106 68.596 68.868 -0.277 0.000 0.882 1085 T HN 0.975 nan 8.240 nan 0.000 0.531 1086 G N 3.805 112.577 108.800 -0.046 0.000 2.347 1086 G HA2 -0.033 3.926 3.960 -0.003 0.000 0.341 1086 G HA3 -0.033 3.926 3.960 -0.003 0.000 0.341 1086 G C -1.389 173.633 174.900 0.203 0.000 1.287 1086 G CA -1.196 43.964 45.100 0.100 0.000 0.984 1086 G HN 0.530 nan 8.290 nan 0.000 0.526 1087 N N 0.130 118.908 118.700 0.130 0.000 2.530 1087 N HA 0.624 5.362 4.740 -0.003 0.000 0.277 1087 N C -0.476 175.040 175.510 0.011 0.000 1.168 1087 N CA 0.351 53.434 53.050 0.055 0.000 0.979 1087 N CB 1.332 39.831 38.487 0.020 0.000 1.141 1087 N HN 0.599 nan 8.380 nan 0.000 0.459 1088 T N 1.887 116.426 114.554 -0.025 0.000 3.078 1088 T HA 0.305 4.653 4.350 -0.003 0.000 0.328 1088 T C -2.704 171.967 174.700 -0.048 0.000 0.987 1088 T CA -1.033 61.027 62.100 -0.066 0.000 1.049 1088 T CB 1.744 70.567 68.868 -0.074 0.000 1.011 1088 T HN 0.196 nan 8.240 nan 0.000 0.463 1089 P HA 0.196 nan 4.420 nan 0.000 0.261 1089 P C 1.138 178.413 177.300 -0.042 0.000 1.173 1089 P CA 1.099 64.176 63.100 -0.038 0.000 0.760 1089 P CB 0.242 31.924 31.700 -0.031 0.000 0.783 1090 G N 1.702 110.472 108.800 -0.050 0.000 2.153 1090 G HA2 -0.261 3.698 3.960 -0.003 0.000 0.252 1090 G HA3 -0.261 3.698 3.960 -0.003 0.000 0.252 1090 G C 0.607 175.469 174.900 -0.064 0.000 0.994 1090 G CA 0.271 45.336 45.100 -0.058 0.000 0.698 1090 G HN 0.525 nan 8.290 nan 0.000 0.521 1091 Q N -2.149 117.612 119.800 -0.065 0.000 1.914 1091 Q HA 0.417 4.755 4.340 -0.003 0.000 0.153 1091 Q C 0.378 176.314 176.000 -0.106 0.000 0.517 1091 Q CA 0.932 56.693 55.803 -0.070 0.000 0.790 1091 Q CB 0.831 29.548 28.738 -0.035 0.000 0.992 1091 Q HN 0.587 nan 8.270 nan 0.000 0.318 1092 V N 1.501 121.362 119.914 -0.089 0.000 2.789 1092 V HA 0.531 4.649 4.120 -0.003 0.000 0.311 1092 V C -0.877 175.172 176.094 -0.075 0.000 1.073 1092 V CA -0.764 61.469 62.300 -0.112 0.000 0.921 1092 V CB 2.555 34.322 31.823 -0.094 0.000 1.009 1092 V HN 0.249 nan 8.190 nan 0.000 0.426 1093 R N 1.844 122.291 120.500 -0.089 0.000 2.388 1093 R HA 0.528 4.867 4.340 -0.003 0.000 0.314 1093 R C -0.537 175.746 176.300 -0.029 0.000 0.959 1093 R CA -0.284 55.788 56.100 -0.047 0.000 0.851 1093 R CB 1.408 31.677 30.300 -0.053 0.000 1.168 1093 R HN 0.798 nan 8.270 nan 0.000 0.472 1094 T N 5.593 120.146 114.554 -0.001 0.000 2.834 1094 T HA 0.125 4.473 4.350 -0.003 0.000 0.298 1094 T C 1.290 176.019 174.700 0.048 0.000 0.966 1094 T CA -0.044 62.064 62.100 0.013 0.000 1.141 1094 T CB 0.748 69.619 68.868 0.004 0.000 0.905 1094 T HN 0.551 nan 8.240 nan 0.000 0.535 1095 L N 2.067 123.345 121.223 0.092 0.000 2.357 1095 L HA 0.376 4.715 4.340 -0.003 0.000 0.211 1095 L C 0.290 177.311 176.870 0.251 0.000 1.075 1095 L CA 0.176 55.103 54.840 0.146 0.000 0.830 1095 L CB 0.312 42.465 42.059 0.156 0.000 0.996 1095 L HN 0.686 nan 8.230 nan 0.000 0.467 1096 W N -1.007 120.298 121.300 0.010 0.000 3.419 1096 W HA 0.398 5.056 4.660 -0.003 0.000 0.298 1096 W C -1.507 175.033 176.519 0.035 0.000 1.260 1096 W CA -0.774 56.577 57.345 0.011 0.000 1.199 1096 W CB 0.763 30.212 29.460 -0.017 0.000 1.349 1096 W HN -0.107 nan 8.180 nan 0.000 0.557 1097 H N 3.317 121.695 119.070 -1.152 0.000 2.877 1097 H HA 0.238 4.793 4.556 -0.003 0.000 0.347 1097 H C -0.768 173.683 175.328 -1.461 0.000 1.042 1097 H CA -0.668 54.656 56.048 -1.207 0.000 1.276 1097 H CB 1.476 30.904 29.762 -0.558 0.000 1.681 1097 H HN 0.371 nan 8.280 nan 0.000 0.521 1098 D N 7.083 126.442 120.400 -1.735 0.000 2.518 1098 D HA -0.052 4.586 4.640 -0.003 0.000 0.270 1098 D C -1.313 174.808 176.300 -0.299 0.000 1.338 1098 D CA -1.377 52.127 54.000 -0.826 0.000 0.983 1098 D CB 0.981 41.442 40.800 -0.566 0.000 1.126 1098 D HN 0.438 nan 8.370 nan 0.000 0.543 1099 P HA -0.174 nan 4.420 nan 0.000 0.220 1099 P C 0.902 178.194 177.300 -0.014 0.000 1.144 1099 P CA 0.965 64.032 63.100 -0.054 0.000 0.800 1099 P CB 0.179 31.863 31.700 -0.025 0.000 0.772 1100 R N -0.983 119.512 120.500 -0.009 0.000 2.276 1100 R HA 0.035 4.373 4.340 -0.003 0.000 0.203 1100 R C 0.552 176.874 176.300 0.037 0.000 1.017 1100 R CA 0.167 56.278 56.100 0.017 0.000 1.010 1100 R CB -0.649 29.667 30.300 0.026 0.000 0.900 1100 R HN 0.047 nan 8.270 nan 0.000 0.469 1101 N N 0.048 118.773 118.700 0.042 0.000 2.753 1101 N HA -0.200 4.538 4.740 -0.003 0.000 0.251 1101 N C -0.645 174.918 175.510 0.088 0.000 1.097 1101 N CA 0.943 54.064 53.050 0.118 0.000 0.786 1101 N CB -1.456 37.137 38.487 0.177 0.000 1.137 1101 N HN 0.248 nan 8.380 nan 0.000 0.566 1102 I N 0.961 121.571 120.570 0.066 0.000 2.821 1102 I HA -0.010 4.158 4.170 -0.003 0.000 0.294 1102 I C 1.649 177.908 176.117 0.236 0.000 1.210 1102 I CA 0.805 62.178 61.300 0.121 0.000 1.430 1102 I CB 0.299 38.379 38.000 0.134 0.000 1.356 1102 I HN 0.174 nan 8.210 nan 0.000 0.563 1103 G N 7.375 116.251 108.800 0.127 0.000 2.502 1103 G HA2 0.300 4.259 3.960 -0.003 0.000 0.305 1103 G HA3 0.300 4.259 3.960 -0.003 0.000 0.305 1103 G C -0.592 174.260 174.900 -0.079 0.000 1.190 1103 G CA -0.718 44.367 45.100 -0.025 0.000 0.933 1103 G HN 0.770 nan 8.290 nan 0.000 0.503 1104 W N 0.254 121.178 121.300 -0.628 0.000 2.202 1104 W HA 0.551 5.209 4.660 -0.003 0.000 0.332 1104 W C -0.484 175.896 176.519 -0.232 0.000 1.263 1104 W CA -0.894 55.976 57.345 -0.791 0.000 1.223 1104 W CB 0.415 28.930 29.460 -1.574 0.000 1.128 1104 W HN 0.198 nan 8.180 nan 0.000 0.573 1105 K N 1.691 122.313 120.400 0.370 0.000 2.095 1105 K HA 0.129 4.447 4.320 -0.003 0.000 0.252 1105 K C -0.201 176.557 176.600 0.264 0.000 0.977 1105 K CA -0.848 55.580 56.287 0.235 0.000 0.900 1105 K CB 0.834 33.457 32.500 0.204 0.000 1.060 1105 K HN 0.266 nan 8.250 nan 0.000 0.449 1106 D N 0.935 121.398 120.400 0.106 0.000 2.382 1106 D HA -0.001 4.638 4.640 -0.003 0.000 0.240 1106 D C -0.188 176.015 176.300 -0.161 0.000 1.146 1106 D CA 0.360 54.302 54.000 -0.096 0.000 0.897 1106 D CB 0.108 40.829 40.800 -0.131 0.000 1.197 1106 D HN 0.442 nan 8.370 nan 0.000 0.432 1107 Y N -1.327 118.726 120.300 -0.411 0.000 3.491 1107 Y HA -0.257 4.292 4.550 -0.003 0.000 0.215 1107 Y C 0.136 175.773 175.900 -0.438 0.000 1.219 1107 Y CA 0.624 58.384 58.100 -0.566 0.000 1.485 1107 Y CB -2.330 36.049 38.460 -0.135 0.000 1.450 1107 Y HN 0.122 nan 8.280 nan 0.000 0.603 1108 T N -0.470 113.791 114.554 -0.489 0.000 2.841 1108 T HA 0.793 5.142 4.350 -0.003 0.000 0.285 1108 T C 0.145 174.762 174.700 -0.138 0.000 0.991 1108 T CA -0.207 61.795 62.100 -0.163 0.000 0.966 1108 T CB 1.696 70.491 68.868 -0.123 0.000 0.962 1108 T HN 0.463 nan 8.240 nan 0.000 0.438 1109 A N 3.499 126.355 122.820 0.059 0.000 2.354 1109 A HA 0.664 4.982 4.320 -0.003 0.000 0.281 1109 A C -1.043 176.471 177.584 -0.117 0.000 1.174 1109 A CA -0.238 51.879 52.037 0.135 0.000 0.828 1109 A CB -0.210 18.852 19.000 0.104 0.000 1.099 1109 A HN 0.799 nan 8.150 nan 0.000 0.516 1110 Y N 0.823 121.361 120.300 0.397 0.000 2.524 1110 Y HA 0.668 5.217 4.550 -0.003 0.000 0.344 1110 Y C 0.390 176.501 175.900 0.352 0.000 1.012 1110 Y CA -0.832 57.533 58.100 0.442 0.000 1.068 1110 Y CB 1.828 40.697 38.460 0.680 0.000 1.249 1110 Y HN 0.721 nan 8.280 nan 0.000 0.468 1111 R N 2.272 123.027 120.500 0.424 0.000 2.343 1111 R HA 0.386 4.725 4.340 -0.003 0.000 0.320 1111 R C -1.865 174.615 176.300 0.301 0.000 0.956 1111 R CA -0.900 55.315 56.100 0.192 0.000 0.836 1111 R CB 0.443 30.748 30.300 0.007 0.000 1.151 1111 R HN 0.693 nan 8.270 nan 0.000 0.450 1112 W N 4.493 125.891 121.300 0.164 0.000 2.496 1112 W HA 0.497 5.156 4.660 -0.003 0.000 0.327 1112 W C -1.093 175.443 176.519 0.027 0.000 1.086 1112 W CA -0.830 56.579 57.345 0.107 0.000 1.222 1112 W CB 0.754 30.275 29.460 0.103 0.000 1.304 1112 W HN 0.489 nan 8.180 nan 0.000 0.547 1113 H N 5.004 124.204 119.070 0.216 0.000 2.823 1113 H HA 0.384 4.938 4.556 -0.003 0.000 0.332 1113 H C -1.610 173.794 175.328 0.126 0.000 0.980 1113 H CA -0.934 55.162 56.048 0.079 0.000 1.286 1113 H CB 1.835 31.612 29.762 0.026 0.000 1.541 1113 H HN 0.679 nan 8.280 nan 0.000 0.521 1114 L N 5.020 126.116 121.223 -0.212 0.000 2.289 1114 L HA 0.365 4.703 4.340 -0.003 0.000 0.285 1114 L C -0.669 175.992 176.870 -0.348 0.000 1.049 1114 L CA 0.087 54.802 54.840 -0.208 0.000 0.804 1114 L CB 1.462 43.428 42.059 -0.155 0.000 1.195 1114 L HN 0.508 nan 8.230 nan 0.000 0.428 1115 T N 3.930 118.338 114.554 -0.243 0.000 2.807 1115 T HA 0.463 4.811 4.350 -0.003 0.000 0.279 1115 T C -1.480 173.131 174.700 -0.148 0.000 0.993 1115 T CA -0.238 61.782 62.100 -0.134 0.000 0.970 1115 T CB 0.707 69.602 68.868 0.045 0.000 0.950 1115 T HN 0.658 nan 8.240 nan 0.000 0.441 1116 H N 2.227 121.185 119.070 -0.188 0.000 3.017 1116 H HA 0.488 5.042 4.556 -0.003 0.000 0.340 1116 H C -0.986 174.337 175.328 -0.009 0.000 1.014 1116 H CA -0.873 55.064 56.048 -0.186 0.000 1.341 1116 H CB 0.792 30.366 29.762 -0.313 0.000 1.739 1116 H HN 0.251 nan 8.280 nan 0.000 0.506 1117 R N 6.371 126.692 120.500 -0.298 0.000 2.547 1117 R HA 0.203 4.541 4.340 -0.003 0.000 0.280 1117 R C -2.356 173.769 176.300 -0.292 0.000 1.630 1117 R CA -1.984 53.987 56.100 -0.215 0.000 1.470 1117 R CB 1.012 31.308 30.300 -0.007 0.000 1.178 1117 R HN 0.552 nan 8.270 nan 0.000 0.591 1118 P HA -0.168 nan 4.420 nan 0.000 0.219 1118 P C 0.701 177.997 177.300 -0.007 0.000 1.146 1118 P CA 0.918 63.898 63.100 -0.200 0.000 0.808 1118 P CB 0.452 32.123 31.700 -0.048 0.000 0.779 1119 K N -0.174 120.226 120.400 -0.000 0.000 2.160 1119 K HA -0.110 4.208 4.320 -0.003 0.000 0.206 1119 K C 1.969 178.612 176.600 0.071 0.000 1.047 1119 K CA 2.088 58.403 56.287 0.046 0.000 0.930 1119 K CB -1.518 31.007 32.500 0.042 0.000 0.720 1119 K HN 0.387 nan 8.250 nan 0.000 0.450 1120 T N -4.769 109.834 114.554 0.082 0.000 2.955 1120 T HA 0.283 4.631 4.350 -0.003 0.000 0.251 1120 T C 1.248 176.084 174.700 0.227 0.000 1.002 1120 T CA 0.810 63.006 62.100 0.161 0.000 0.970 1120 T CB 0.654 69.639 68.868 0.195 0.000 1.091 1120 T HN 0.276 nan 8.240 nan 0.000 0.495 1121 G N 0.784 109.653 108.800 0.115 0.000 2.141 1121 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.231 1121 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.231 1121 G C -0.174 174.670 174.900 -0.093 0.000 0.984 1121 G CA -0.011 45.146 45.100 0.095 0.000 0.660 1121 G HN 0.788 nan 8.290 nan 0.000 0.525 1122 Y N 1.192 121.289 120.300 -0.338 0.000 2.620 1122 Y HA 0.523 5.072 4.550 -0.003 0.000 0.330 1122 Y C 0.547 176.267 175.900 -0.299 0.000 1.186 1122 Y CA 0.064 57.820 58.100 -0.575 0.000 1.467 1122 Y CB 0.241 38.476 38.460 -0.374 0.000 1.262 1122 Y HN 0.233 nan 8.280 nan 0.000 0.550 1123 I N 7.577 127.636 120.570 -0.852 0.000 2.569 1123 I HA 0.447 4.616 4.170 -0.003 0.000 0.290 1123 I C -0.906 174.714 176.117 -0.828 0.000 1.088 1123 I CA -0.988 59.940 61.300 -0.620 0.000 1.047 1123 I CB 2.311 40.127 38.000 -0.307 0.000 1.237 1123 I HN 0.538 nan 8.210 nan 0.000 0.421 1124 R N 5.010 125.121 120.500 -0.649 0.000 2.533 1124 R HA 0.705 5.043 4.340 -0.003 0.000 0.288 1124 R C -2.167 173.977 176.300 -0.259 0.000 1.039 1124 R CA -0.469 55.345 56.100 -0.476 0.000 0.909 1124 R CB 2.230 32.291 30.300 -0.398 0.000 1.195 1124 R HN 0.436 nan 8.270 nan 0.000 0.438 1125 V N 6.365 126.126 119.914 -0.255 0.000 2.357 1125 V HA 0.393 4.511 4.120 -0.003 0.000 0.284 1125 V C -0.138 175.910 176.094 -0.077 0.000 1.018 1125 V CA -0.676 61.561 62.300 -0.106 0.000 0.841 1125 V CB 1.441 33.216 31.823 -0.080 0.000 0.991 1125 V HN 0.662 nan 8.190 nan 0.000 0.437 1126 L N 5.299 126.570 121.223 0.080 0.000 2.325 1126 L HA 0.696 5.035 4.340 -0.003 0.000 0.279 1126 L C -0.667 176.317 176.870 0.190 0.000 1.054 1126 L CA -0.718 54.191 54.840 0.115 0.000 0.804 1126 L CB 2.042 44.237 42.059 0.225 0.000 1.200 1126 L HN 0.339 nan 8.230 nan 0.000 0.436 1127 V N 2.014 121.996 119.914 0.114 0.000 2.577 1127 V HA 0.379 4.497 4.120 -0.003 0.000 0.303 1127 V C -0.459 175.747 176.094 0.187 0.000 1.042 1127 V CA -0.690 61.716 62.300 0.177 0.000 0.872 1127 V CB 1.749 33.544 31.823 -0.047 0.000 0.998 1127 V HN 0.629 nan 8.190 nan 0.000 0.423 1128 H N 3.100 122.305 119.070 0.227 0.000 2.463 1128 H HA 0.448 5.003 4.556 -0.003 0.000 0.332 1128 H C -0.631 174.907 175.328 0.350 0.000 1.127 1128 H CA -0.453 55.724 56.048 0.215 0.000 1.238 1128 H CB 2.584 32.425 29.762 0.133 0.000 1.478 1128 H HN 0.677 nan 8.280 nan 0.000 0.499 1129 E N 2.172 122.597 120.200 0.374 0.000 2.092 1129 E HA 0.335 4.684 4.350 -0.003 0.000 0.271 1129 E C 0.594 177.270 176.600 0.128 0.000 0.919 1129 E CA -0.174 56.387 56.400 0.268 0.000 0.760 1129 E CB 0.668 30.552 29.700 0.307 0.000 1.106 1129 E HN 0.934 nan 8.360 nan 0.000 0.408 1130 G N 5.283 114.113 108.800 0.050 0.000 2.622 1130 G HA2 -0.425 3.533 3.960 -0.003 0.000 0.307 1130 G HA3 -0.425 3.533 3.960 -0.003 0.000 0.307 1130 G C 0.521 175.454 174.900 0.054 0.000 1.226 1130 G CA 0.748 45.850 45.100 0.004 0.000 0.997 1130 G HN 0.672 nan 8.290 nan 0.000 0.551 1131 K N 0.709 121.119 120.400 0.017 0.000 2.417 1131 K HA 0.275 4.593 4.320 -0.003 0.000 0.196 1131 K C 0.688 177.398 176.600 0.184 0.000 1.023 1131 K CA 0.323 56.660 56.287 0.083 0.000 1.122 1131 K CB 0.495 32.973 32.500 -0.037 0.000 0.850 1131 K HN 0.562 nan 8.250 nan 0.000 0.521 1132 Q N 1.580 121.465 119.800 0.142 0.000 2.331 1132 Q HA 0.265 4.603 4.340 -0.003 0.000 0.267 1132 Q C -0.808 175.171 176.000 -0.036 0.000 1.006 1132 Q CA -0.772 55.071 55.803 0.067 0.000 0.818 1132 Q CB 2.762 31.535 28.738 0.059 0.000 1.276 1132 Q HN -0.063 nan 8.270 nan 0.000 0.450 1133 V N 4.904 124.688 119.914 -0.217 0.000 2.475 1133 V HA -0.142 3.976 4.120 -0.003 0.000 0.292 1133 V C 1.118 177.152 176.094 -0.100 0.000 1.003 1133 V CA 0.871 62.961 62.300 -0.350 0.000 1.120 1133 V CB -0.173 31.468 31.823 -0.303 0.000 0.937 1133 V HN 0.858 nan 8.190 nan 0.000 0.476 1134 M N 4.452 124.035 119.600 -0.029 0.000 2.534 1134 M HA 0.608 5.086 4.480 -0.003 0.000 0.263 1134 M C 0.470 176.782 176.300 0.020 0.000 1.152 1134 M CA 0.965 56.299 55.300 0.056 0.000 1.145 1134 M CB 0.572 33.282 32.600 0.184 0.000 1.333 1134 M HN 0.486 nan 8.290 nan 0.000 0.477 1135 A N 0.140 122.947 122.820 -0.022 0.000 2.574 1135 A HA 0.729 5.048 4.320 -0.003 0.000 0.297 1135 A C -1.976 175.592 177.584 -0.026 0.000 1.062 1135 A CA -0.564 51.472 52.037 -0.002 0.000 0.686 1135 A CB 1.320 20.287 19.000 -0.054 0.000 1.285 1135 A HN 0.316 nan 8.150 nan 0.000 0.403 1136 D N 0.543 120.924 120.400 -0.031 0.000 2.891 1136 D HA 0.318 4.956 4.640 -0.003 0.000 0.224 1136 D C 0.794 176.811 176.300 -0.472 0.000 1.321 1136 D CA 0.385 54.271 54.000 -0.190 0.000 0.929 1136 D CB 1.862 42.592 40.800 -0.116 0.000 1.551 1136 D HN 0.496 nan 8.370 nan 0.000 0.574 1137 S N 1.991 117.127 115.700 -0.940 0.000 2.555 1137 S HA 0.334 4.803 4.470 -0.003 0.000 0.230 1137 S C 1.353 175.402 174.600 -0.918 0.000 0.978 1137 S CA 0.695 57.830 58.200 -1.775 0.000 0.934 1137 S CB -0.604 61.640 63.200 -1.592 0.000 0.766 1137 S HN 1.143 nan 8.310 nan 0.000 0.533 1138 G N 1.778 110.294 108.800 -0.474 0.000 2.692 1138 G HA2 -0.186 3.773 3.960 -0.003 0.000 0.248 1138 G HA3 -0.186 3.773 3.960 -0.003 0.000 0.248 1138 G C -3.163 171.585 174.900 -0.252 0.000 1.340 1138 G CA -0.474 44.479 45.100 -0.246 0.000 0.896 1138 G HN 0.494 nan 8.290 nan 0.000 0.570 1139 P HA 0.586 nan 4.420 nan 0.000 0.280 1139 P C -0.165 177.065 177.300 -0.116 0.000 1.244 1139 P CA -0.302 62.753 63.100 -0.074 0.000 0.784 1139 P CB 0.896 32.765 31.700 0.281 0.000 0.913 1140 I N 2.905 123.276 120.570 -0.332 0.000 2.785 1140 I HA 0.392 4.561 4.170 -0.003 0.000 0.302 1140 I C -0.633 175.300 176.117 -0.306 0.000 1.069 1140 I CA -0.876 60.316 61.300 -0.181 0.000 1.045 1140 I CB 1.776 39.650 38.000 -0.210 0.000 1.236 1140 I HN 0.331 nan 8.210 nan 0.000 0.429 1141 Y N 2.180 122.487 120.300 0.012 0.000 2.329 1141 Y HA 0.435 4.984 4.550 -0.003 0.000 0.328 1141 Y C -0.396 175.544 175.900 0.068 0.000 0.992 1141 Y CA -0.621 57.510 58.100 0.052 0.000 1.151 1141 Y CB 1.615 40.115 38.460 0.067 0.000 1.150 1141 Y HN 0.407 nan 8.280 nan 0.000 0.450 1142 D N 2.914 123.413 120.400 0.165 0.000 2.966 1142 D HA 0.194 4.833 4.640 -0.003 0.000 0.222 1142 D C -1.037 175.394 176.300 0.219 0.000 1.292 1142 D CA -0.384 53.729 54.000 0.189 0.000 0.907 1142 D CB 1.916 42.854 40.800 0.231 0.000 1.621 1142 D HN 0.714 nan 8.370 nan 0.000 0.557 1143 Q N 2.122 122.025 119.800 0.173 0.000 2.211 1143 Q HA 0.185 4.523 4.340 -0.003 0.000 0.301 1143 Q C 0.811 176.852 176.000 0.068 0.000 0.884 1143 Q CA -0.179 55.722 55.803 0.163 0.000 1.115 1143 Q CB 0.969 29.784 28.738 0.128 0.000 1.217 1143 Q HN 0.414 nan 8.270 nan 0.000 0.451 1144 T N -0.375 114.168 114.554 -0.018 0.000 2.821 1144 T HA -0.069 4.280 4.350 -0.003 0.000 0.267 1144 T C -0.045 174.298 174.700 -0.595 0.000 1.046 1144 T CA 1.326 63.147 62.100 -0.464 0.000 1.139 1144 T CB 0.042 68.389 68.868 -0.868 0.000 0.871 1144 T HN 0.281 nan 8.240 nan 0.000 0.454 1145 Y N -0.868 119.548 120.300 0.193 0.000 2.386 1145 Y HA 0.572 5.121 4.550 -0.002 0.000 0.334 1145 Y C 0.217 176.316 175.900 0.333 0.000 1.002 1145 Y CA -1.393 56.819 58.100 0.185 0.000 1.068 1145 Y CB 1.616 40.113 38.460 0.063 0.000 1.203 1145 Y HN -0.080 nan 8.280 nan 0.000 0.443 1146 A N 3.118 126.164 122.820 0.376 0.000 2.648 1146 A HA 0.591 4.910 4.320 -0.003 0.000 0.269 1146 A C 0.978 178.749 177.584 0.313 0.000 1.392 1146 A CA 0.721 52.934 52.037 0.292 0.000 1.019 1146 A CB -1.110 18.007 19.000 0.195 0.000 1.009 1146 A HN 1.248 nan 8.150 nan 0.000 0.565 1147 G N -2.213 106.859 108.800 0.453 0.000 2.373 1147 G HA2 0.520 4.478 3.960 -0.003 0.000 0.634 1147 G HA3 0.520 4.478 3.960 -0.003 0.000 0.634 1147 G C 0.265 175.360 174.900 0.326 0.000 1.267 1147 G CA -0.074 45.281 45.100 0.424 0.000 1.008 1147 G HN 2.327 nan 8.290 nan 0.000 0.497 1148 G N -1.314 107.658 108.800 0.285 0.000 2.291 1148 G HA2 0.538 4.496 3.960 -0.003 0.000 0.249 1148 G HA3 0.538 4.496 3.960 -0.003 0.000 0.249 1148 G C -0.635 174.426 174.900 0.268 0.000 1.340 1148 G CA 0.185 45.405 45.100 0.200 0.000 1.017 1148 G HN 1.059 nan 8.290 nan 0.000 0.470 1149 R N -0.658 119.991 120.500 0.248 0.000 2.758 1149 R HA 0.769 5.108 4.340 -0.003 0.000 0.265 1149 R C -0.373 176.055 176.300 0.212 0.000 1.016 1149 R CA -0.745 55.494 56.100 0.232 0.000 1.040 1149 R CB 1.343 31.718 30.300 0.125 0.000 1.152 1149 R HN 0.416 nan 8.270 nan 0.000 0.503 1150 L N -0.173 121.118 121.223 0.113 0.000 2.334 1150 L HA 0.768 5.107 4.340 -0.003 0.000 0.270 1150 L C 0.502 177.446 176.870 0.124 0.000 1.018 1150 L CA -0.553 54.312 54.840 0.042 0.000 0.811 1150 L CB 1.976 43.796 42.059 -0.397 0.000 1.271 1150 L HN 0.842 nan 8.230 nan 0.000 0.443 1151 G N 0.946 109.826 108.800 0.134 0.000 2.506 1151 G HA2 0.565 4.524 3.960 -0.003 0.000 0.292 1151 G HA3 0.565 4.524 3.960 -0.003 0.000 0.292 1151 G C -2.102 172.732 174.900 -0.111 0.000 1.425 1151 G CA -0.689 44.357 45.100 -0.090 0.000 0.788 1151 G HN 0.331 nan 8.290 nan 0.000 0.490 1152 L N 0.149 121.122 121.223 -0.416 0.000 2.365 1152 L HA 0.701 5.040 4.340 -0.003 0.000 0.273 1152 L C -1.102 175.646 176.870 -0.203 0.000 1.000 1152 L CA -0.781 53.774 54.840 -0.474 0.000 0.819 1152 L CB 2.213 43.656 42.059 -1.026 0.000 1.284 1152 L HN 0.532 nan 8.230 nan 0.000 0.418 1153 F N 4.261 124.140 119.950 -0.119 0.000 2.482 1153 F HA 0.767 5.292 4.527 -0.003 0.000 0.331 1153 F C -0.583 175.401 175.800 0.306 0.000 1.115 1153 F CA -0.769 57.283 58.000 0.088 0.000 0.955 1153 F CB 1.571 40.596 39.000 0.041 0.000 1.136 1153 F HN 0.158 nan 8.300 nan 0.000 0.452 1154 V N 3.875 123.447 119.914 -0.569 0.000 2.876 1154 V HA 0.618 4.737 4.120 -0.003 0.000 0.312 1154 V C -1.658 174.074 176.094 -0.603 0.000 1.085 1154 V CA -0.905 61.183 62.300 -0.354 0.000 0.945 1154 V CB 1.793 33.551 31.823 -0.108 0.000 1.017 1154 V HN 0.881 nan 8.190 nan 0.000 0.428 1155 F N 3.800 123.601 119.950 -0.248 0.000 3.090 1155 F HA 0.522 5.048 4.527 -0.002 0.000 0.381 1155 F C 0.680 176.663 175.800 0.305 0.000 1.231 1155 F CA 0.125 58.146 58.000 0.035 0.000 1.177 1155 F CB 1.117 40.228 39.000 0.185 0.000 1.598 1155 F HN 1.022 nan 8.300 nan 0.000 0.589 1156 S N 2.912 118.995 115.700 0.639 0.000 3.672 1156 S HA -0.255 4.214 4.470 -0.003 0.000 0.319 1156 S C -0.695 174.114 174.600 0.349 0.000 1.151 1156 S CA 0.940 59.470 58.200 0.550 0.000 0.911 1156 S CB -0.967 62.740 63.200 0.845 0.000 0.939 1156 S HN 0.782 nan 8.310 nan 0.000 0.524 1157 Q N 1.750 121.692 119.800 0.237 0.000 2.310 1157 Q HA 0.549 4.887 4.340 -0.003 0.000 0.270 1157 Q C -0.326 175.695 176.000 0.036 0.000 1.025 1157 Q CA -0.544 55.353 55.803 0.156 0.000 0.772 1157 Q CB 1.385 30.238 28.738 0.191 0.000 1.253 1157 Q HN 0.704 nan 8.270 nan 0.000 0.450 1158 E N 3.281 123.486 120.200 0.009 0.000 2.292 1158 E HA 0.341 4.689 4.350 -0.003 0.000 0.258 1158 E C -0.386 176.163 176.600 -0.085 0.000 1.115 1158 E CA -0.702 55.669 56.400 -0.049 0.000 0.929 1158 E CB 0.490 30.174 29.700 -0.027 0.000 1.161 1158 E HN 0.544 nan 8.360 nan 0.000 0.453 1159 M N -0.162 119.390 119.600 -0.081 0.000 2.212 1159 M HA -0.132 4.347 4.480 -0.003 0.000 0.193 1159 M C -1.242 175.029 176.300 -0.048 0.000 0.493 1159 M CA 0.431 55.715 55.300 -0.026 0.000 0.427 1159 M CB -2.326 30.289 32.600 0.025 0.000 1.120 1159 M HN 0.384 nan 8.290 nan 0.000 0.929 1160 V N 0.883 120.694 119.914 -0.172 0.000 2.370 1160 V HA 0.331 4.450 4.120 -0.003 0.000 0.279 1160 V C 0.049 175.943 176.094 -0.334 0.000 1.029 1160 V CA -0.529 61.561 62.300 -0.350 0.000 0.870 1160 V CB 1.430 32.970 31.823 -0.471 0.000 0.984 1160 V HN 0.334 nan 8.190 nan 0.000 0.451 1161 Y N 4.400 124.418 120.300 -0.470 0.000 2.367 1161 Y HA 0.482 5.031 4.550 -0.002 0.000 0.342 1161 Y C -0.129 175.573 175.900 -0.331 0.000 0.979 1161 Y CA -0.445 57.513 58.100 -0.238 0.000 1.161 1161 Y CB 1.071 39.489 38.460 -0.070 0.000 1.155 1161 Y HN 0.562 nan 8.280 nan 0.000 0.503 1162 F N 2.383 122.452 119.950 0.198 0.000 2.291 1162 F HA 0.308 4.834 4.527 -0.003 0.000 0.368 1162 F C 0.469 176.370 175.800 0.168 0.000 1.085 1162 F CA -0.372 57.791 58.000 0.272 0.000 1.165 1162 F CB 0.894 40.083 39.000 0.314 0.000 1.429 1162 F HN 0.289 nan 8.300 nan 0.000 0.503 1163 S N 1.183 117.025 115.700 0.236 0.000 2.638 1163 S HA 0.357 4.826 4.470 -0.003 0.000 0.298 1163 S C -0.199 174.436 174.600 0.058 0.000 1.111 1163 S CA -0.486 57.813 58.200 0.165 0.000 1.027 1163 S CB 0.871 64.165 63.200 0.158 0.000 1.064 1163 S HN 0.700 nan 8.310 nan 0.000 0.525 1164 D N 1.120 121.582 120.400 0.104 0.000 2.735 1164 D HA -0.162 4.476 4.640 -0.003 0.000 0.235 1164 D C -0.668 175.573 176.300 -0.099 0.000 1.175 1164 D CA 0.667 54.685 54.000 0.031 0.000 0.683 1164 D CB -1.478 39.337 40.800 0.026 0.000 1.008 1164 D HN 0.493 nan 8.370 nan 0.000 0.416 1165 L N 0.610 121.798 121.223 -0.059 0.000 2.380 1165 L HA 0.354 4.693 4.340 -0.003 0.000 0.273 1165 L C 0.941 177.791 176.870 -0.034 0.000 1.138 1165 L CA 0.047 54.875 54.840 -0.019 0.000 0.832 1165 L CB 0.891 43.102 42.059 0.252 0.000 1.124 1165 L HN 0.014 nan 8.230 nan 0.000 0.454 1166 K N 3.265 123.659 120.400 -0.010 0.000 2.471 1166 K HA 0.455 4.773 4.320 -0.003 0.000 0.252 1166 K C -1.470 175.223 176.600 0.155 0.000 0.938 1166 K CA -0.639 55.625 56.287 -0.038 0.000 0.796 1166 K CB 1.977 34.444 32.500 -0.054 0.000 1.161 1166 K HN 0.356 nan 8.250 nan 0.000 0.425 1167 Y N -0.324 120.052 120.300 0.127 0.000 2.429 1167 Y HA 0.641 5.189 4.550 -0.003 0.000 0.342 1167 Y C -0.484 175.407 175.900 -0.016 0.000 1.004 1167 Y CA -1.136 56.959 58.100 -0.008 0.000 1.075 1167 Y CB 1.308 39.554 38.460 -0.356 0.000 1.214 1167 Y HN 0.402 nan 8.280 nan 0.000 0.455 1168 E N 1.672 121.985 120.200 0.188 0.000 2.340 1168 E HA 0.459 4.807 4.350 -0.003 0.000 0.273 1168 E C -1.473 175.219 176.600 0.154 0.000 0.891 1168 E CA -1.037 55.469 56.400 0.176 0.000 0.757 1168 E CB 2.351 32.121 29.700 0.116 0.000 1.231 1168 E HN 0.747 nan 8.360 nan 0.000 0.439 1169 c N 1.950 120.671 118.600 0.201 0.000 2.373 1169 c HA 0.277 4.845 4.570 -0.003 0.000 0.354 1169 c C 1.105 175.265 174.090 0.116 0.000 1.249 1169 c CA -0.243 56.203 56.329 0.194 0.000 1.784 1169 c CB -0.798 41.836 42.510 0.206 0.000 2.408 1169 c HN 0.571 nan 8.230 nan 0.000 0.542 1170 R N 1.415 121.973 120.500 0.096 0.000 2.507 1170 R HA 0.186 4.525 4.340 -0.003 0.000 0.298 1170 R C 0.157 176.490 176.300 0.055 0.000 0.999 1170 R CA 0.308 56.448 56.100 0.068 0.000 1.082 1170 R CB -0.262 30.077 30.300 0.066 0.000 1.246 1170 R HN 0.639 nan 8.270 nan 0.000 0.553 1171 D N -1.483 118.954 120.400 0.062 0.000 2.510 1171 D HA 0.266 4.904 4.640 -0.003 0.000 0.234 1171 D C 0.128 176.455 176.300 0.046 0.000 1.178 1171 D CA 0.217 54.246 54.000 0.049 0.000 0.816 1171 D CB 1.112 41.945 40.800 0.055 0.000 1.143 1171 D HN 0.067 nan 8.370 nan 0.000 0.526 1172 I N 0.000 120.609 120.570 0.066 0.000 2.984 1172 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 1172 I CA 0.000 61.344 61.300 0.073 0.000 1.566 1172 I CB 0.000 38.071 38.000 0.118 0.000 1.214 1172 I HN 0.000 nan 8.210 nan 0.000 0.494