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 3b9j_1_K DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTXXXT KELFRLDSPA TPEKIRNACV DKFTTLCVTG 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 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.259 176.300 -0.069 0.000 2.045 571 D CA 0.000 53.956 54.000 -0.074 0.000 0.868 571 D CB 0.000 40.749 40.800 -0.084 0.000 0.688 572 T N -0.639 113.876 114.554 -0.065 0.000 3.069 572 T HA 0.225 4.574 4.350 -0.000 0.000 0.252 572 T C 0.837 175.501 174.700 -0.059 0.000 1.053 572 T CA -0.046 62.024 62.100 -0.050 0.000 0.964 572 T CB 0.119 68.968 68.868 -0.033 0.000 1.005 572 T HN 0.095 nan 8.240 nan 0.000 0.532 573 V N 2.291 122.149 119.914 -0.094 0.000 2.485 573 V HA 0.472 4.591 4.120 -0.000 0.000 0.287 573 V C 1.642 177.681 176.094 -0.091 0.000 1.022 573 V CA 1.294 63.529 62.300 -0.108 0.000 1.067 573 V CB -0.152 31.536 31.823 -0.224 0.000 0.967 573 V HN 0.872 nan 8.190 nan 0.000 0.479 574 G N 3.056 111.823 108.800 -0.055 0.000 2.179 574 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 574 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 574 G C 0.297 175.179 174.900 -0.030 0.000 0.990 574 G CA 0.193 45.269 45.100 -0.040 0.000 0.646 574 G HN 1.190 nan 8.290 nan 0.000 0.517 575 R N 0.767 121.250 120.500 -0.029 0.000 2.540 575 R HA 0.844 5.184 4.340 -0.000 0.000 0.287 575 R C -2.193 174.101 176.300 -0.011 0.000 0.980 575 R CA -1.267 54.821 56.100 -0.020 0.000 0.966 575 R CB 0.230 30.517 30.300 -0.022 0.000 1.106 575 R HN 0.156 nan 8.270 nan 0.000 0.480 576 P HA 0.077 nan 4.420 nan 0.000 0.225 576 P C -0.589 176.716 177.300 0.008 0.000 1.768 576 P CA -0.360 62.741 63.100 0.001 0.000 0.943 576 P CB -0.326 31.374 31.700 -0.000 0.000 1.936 577 L N 2.640 123.868 121.223 0.007 0.000 2.462 577 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 577 L C -2.278 174.609 176.870 0.029 0.000 1.166 577 L CA -1.835 53.013 54.840 0.013 0.000 0.880 577 L CB -0.473 41.589 42.059 0.004 0.000 1.142 577 L HN -0.018 nan 8.230 nan 0.000 0.473 578 P HA -0.011 nan 4.420 nan 0.000 0.269 578 P C -0.723 176.639 177.300 0.103 0.000 1.209 578 P CA -0.087 63.057 63.100 0.073 0.000 0.776 578 P CB 0.213 31.954 31.700 0.069 0.000 0.876 579 H N 2.698 121.786 119.070 0.029 0.000 3.173 579 H HA -0.073 4.483 4.556 -0.000 0.000 0.311 579 H C 1.141 176.491 175.328 0.037 0.000 0.972 579 H CA 0.765 56.832 56.048 0.033 0.000 1.384 579 H CB 0.402 30.185 29.762 0.035 0.000 1.349 579 H HN 0.384 nan 8.280 nan 0.000 0.582 580 L N 4.348 125.586 121.223 0.026 0.000 2.127 580 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 580 L C 2.358 179.330 176.870 0.170 0.000 1.089 580 L CA 1.550 56.435 54.840 0.075 0.000 0.757 580 L CB -0.297 41.763 42.059 0.001 0.000 0.899 580 L HN 0.656 nan 8.230 nan 0.000 0.434 581 A N -0.904 122.116 122.820 0.334 0.000 2.307 581 A HA 0.360 4.680 4.320 -0.000 0.000 0.218 581 A C 2.272 179.952 177.584 0.161 0.000 1.228 581 A CA 0.671 52.849 52.037 0.235 0.000 0.857 581 A CB -0.258 18.873 19.000 0.219 0.000 0.897 581 A HN 0.303 nan 8.150 nan 0.000 0.495 582 A N 0.233 123.157 122.820 0.174 0.000 1.933 582 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 582 A C 2.377 179.996 177.584 0.058 0.000 1.175 582 A CA 1.861 53.936 52.037 0.063 0.000 0.628 582 A CB -0.704 18.346 19.000 0.083 0.000 0.814 582 A HN 0.991 nan 8.150 nan 0.000 0.444 583 A N -0.588 122.275 122.820 0.070 0.000 1.968 583 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 583 A C 2.204 179.820 177.584 0.055 0.000 1.169 583 A CA 1.559 53.630 52.037 0.057 0.000 0.638 583 A CB -0.485 18.548 19.000 0.055 0.000 0.812 583 A HN 0.538 nan 8.150 nan 0.000 0.446 584 M N -1.089 118.548 119.600 0.061 0.000 2.254 584 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 584 M C 2.232 178.572 176.300 0.067 0.000 1.066 584 M CA 1.180 56.515 55.300 0.058 0.000 1.123 584 M CB -0.422 32.212 32.600 0.056 0.000 1.388 584 M HN 0.449 nan 8.290 nan 0.000 0.425 585 Q N 0.587 120.429 119.800 0.070 0.000 2.124 585 Q HA -0.092 4.247 4.340 -0.000 0.000 0.202 585 Q C 2.280 178.328 176.000 0.080 0.000 0.977 585 Q CA 1.690 57.550 55.803 0.096 0.000 0.850 585 Q CB -0.246 28.533 28.738 0.069 0.000 0.901 585 Q HN 0.588 nan 8.270 nan 0.000 0.429 586 A N 0.693 123.548 122.820 0.059 0.000 1.968 586 A HA -0.121 4.198 4.320 -0.000 0.000 0.217 586 A C 2.146 179.758 177.584 0.048 0.000 1.169 586 A CA 1.447 53.514 52.037 0.051 0.000 0.638 586 A CB -0.315 18.712 19.000 0.044 0.000 0.812 586 A HN 0.407 nan 8.150 nan 0.000 0.446 587 S N -1.956 113.773 115.700 0.049 0.000 2.528 587 S HA 0.362 4.831 4.470 -0.000 0.000 0.219 587 S C 1.404 176.032 174.600 0.047 0.000 0.985 587 S CA 1.002 59.228 58.200 0.042 0.000 0.914 587 S CB -0.273 62.950 63.200 0.038 0.000 0.776 587 S HN 1.878 nan 8.310 nan 0.000 0.526 588 G N 1.085 109.923 108.800 0.063 0.000 2.147 588 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 588 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 588 G C 0.350 175.294 174.900 0.074 0.000 1.005 588 G CA 0.450 45.594 45.100 0.075 0.000 0.713 588 G HN 0.589 nan 8.290 nan 0.000 0.515 589 E N -0.350 119.888 120.200 0.064 0.000 2.389 589 E HA 0.436 4.785 4.350 -0.000 0.000 0.199 589 E C 1.715 178.337 176.600 0.037 0.000 0.978 589 E CA 0.278 56.705 56.400 0.045 0.000 0.912 589 E CB 0.362 30.082 29.700 0.034 0.000 0.907 589 E HN 0.767 nan 8.360 nan 0.000 0.494 590 A N 1.643 124.489 122.820 0.044 0.000 2.540 590 A HA 0.166 4.486 4.320 -0.000 0.000 0.239 590 A C 0.160 177.701 177.584 -0.072 0.000 1.061 590 A CA 0.016 52.033 52.037 -0.034 0.000 0.758 590 A CB 0.304 19.269 19.000 -0.058 0.000 0.991 590 A HN 0.010 nan 8.150 nan 0.000 0.502 591 V N 4.170 123.981 119.914 -0.171 0.000 2.350 591 V HA 0.322 4.442 4.120 -0.000 0.000 0.276 591 V C -0.560 175.368 176.094 -0.278 0.000 1.028 591 V CA -0.222 62.010 62.300 -0.113 0.000 0.860 591 V CB 0.064 31.843 31.823 -0.074 0.000 0.990 591 V HN 0.760 nan 8.190 nan 0.000 0.453 592 Y N 1.856 122.152 120.300 -0.006 0.000 2.458 592 Y HA 0.302 4.852 4.550 -0.000 0.000 0.322 592 Y C 1.666 177.557 175.900 -0.015 0.000 1.259 592 Y CA -0.228 57.867 58.100 -0.008 0.000 1.302 592 Y CB 0.610 39.065 38.460 -0.009 0.000 1.314 592 Y HN 0.656 nan 8.280 nan 0.000 0.509 593 C N 0.444 119.838 119.300 0.157 0.000 2.398 593 C HA -0.236 4.224 4.460 -0.000 0.000 0.276 593 C C 2.271 177.295 174.990 0.056 0.000 1.222 593 C CA 2.306 61.373 59.018 0.083 0.000 1.746 593 C CB -0.941 26.854 27.740 0.091 0.000 2.039 593 C HN 1.047 nan 8.230 nan 0.000 0.470 594 D N -0.403 120.046 120.400 0.081 0.000 2.349 594 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 594 D C 1.377 177.711 176.300 0.056 0.000 1.029 594 D CA 0.639 54.681 54.000 0.069 0.000 0.879 594 D CB -0.237 40.611 40.800 0.081 0.000 0.906 594 D HN 0.544 nan 8.370 nan 0.000 0.528 595 D N -0.201 120.237 120.400 0.063 0.000 2.323 595 D HA 0.002 4.642 4.640 -0.000 0.000 0.209 595 D C 0.648 176.936 176.300 -0.021 0.000 0.973 595 D CA 0.115 54.140 54.000 0.042 0.000 0.874 595 D CB 0.191 41.043 40.800 0.086 0.000 0.930 595 D HN 0.363 nan 8.370 nan 0.000 0.521 596 I N 3.903 124.432 120.570 -0.068 0.000 2.668 596 I HA -0.010 4.159 4.170 -0.000 0.000 0.285 596 I C -1.714 174.314 176.117 -0.148 0.000 1.168 596 I CA -1.300 59.902 61.300 -0.163 0.000 1.424 596 I CB 0.269 38.094 38.000 -0.291 0.000 1.377 596 I HN -0.202 nan 8.210 nan 0.000 0.560 597 P HA 0.073 nan 4.420 nan 0.000 0.269 597 P C -0.889 176.292 177.300 -0.198 0.000 1.217 597 P CA -0.143 62.868 63.100 -0.148 0.000 0.783 597 P CB 0.486 32.092 31.700 -0.157 0.000 0.898 598 R N 0.734 121.162 120.500 -0.121 0.000 2.457 598 R HA 0.398 4.738 4.340 -0.000 0.000 0.284 598 R C -0.056 176.162 176.300 -0.137 0.000 1.024 598 R CA -0.462 55.579 56.100 -0.099 0.000 1.025 598 R CB 0.076 30.394 30.300 0.030 0.000 1.063 598 R HN 0.415 nan 8.270 nan 0.000 0.493 599 Y N 1.160 121.440 120.300 -0.034 0.000 2.379 599 Y HA -0.084 4.466 4.550 -0.000 0.000 0.337 599 Y C 1.900 177.791 175.900 -0.016 0.000 1.238 599 Y CA 0.248 58.336 58.100 -0.019 0.000 1.405 599 Y CB 0.848 39.302 38.460 -0.011 0.000 1.310 599 Y HN 0.747 nan 8.280 nan 0.000 0.569 600 E N 0.653 120.962 120.200 0.183 0.000 2.153 600 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 600 E C 0.615 177.243 176.600 0.047 0.000 0.988 600 E CA 1.576 58.029 56.400 0.089 0.000 0.811 600 E CB -0.221 29.523 29.700 0.072 0.000 0.746 600 E HN 0.768 nan 8.360 nan 0.000 0.466 601 N N 1.166 119.885 118.700 0.031 0.000 2.322 601 N HA -0.037 4.703 4.740 -0.000 0.000 0.194 601 N C -0.141 175.282 175.510 -0.144 0.000 1.126 601 N CA 0.045 53.024 53.050 -0.119 0.000 0.845 601 N CB 0.014 38.406 38.487 -0.159 0.000 0.976 601 N HN 0.263 nan 8.380 nan 0.000 0.475 602 E N 0.930 121.118 120.200 -0.020 0.000 2.376 602 E HA 0.185 4.535 4.350 -0.000 0.000 0.266 602 E C -0.515 175.985 176.600 -0.167 0.000 1.009 602 E CA -0.148 56.209 56.400 -0.071 0.000 0.902 602 E CB 0.540 30.200 29.700 -0.067 0.000 0.972 602 E HN 0.219 nan 8.360 nan 0.000 0.439 603 L N 3.642 124.732 121.223 -0.221 0.000 2.331 603 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 603 L C -0.659 175.948 176.870 -0.438 0.000 1.015 603 L CA -1.055 53.689 54.840 -0.160 0.000 0.807 603 L CB 0.917 42.964 42.059 -0.020 0.000 1.293 603 L HN 0.523 nan 8.230 nan 0.000 0.451 604 F N 1.124 121.100 119.950 0.044 0.000 2.529 604 F HA 0.560 5.087 4.527 -0.000 0.000 0.320 604 F C -0.248 175.585 175.800 0.055 0.000 1.118 604 F CA -0.452 57.580 58.000 0.052 0.000 0.915 604 F CB 1.887 40.916 39.000 0.048 0.000 1.161 604 F HN 0.173 nan 8.300 nan 0.000 0.445 605 L N 3.661 125.000 121.223 0.193 0.000 2.334 605 L HA 0.797 5.137 4.340 -0.000 0.000 0.273 605 L C -1.016 175.956 176.870 0.171 0.000 1.013 605 L CA -0.811 54.119 54.840 0.150 0.000 0.816 605 L CB 1.642 43.767 42.059 0.110 0.000 1.278 605 L HN 0.731 nan 8.230 nan 0.000 0.431 606 R N 3.894 124.491 120.500 0.161 0.000 2.514 606 R HA 0.535 4.875 4.340 -0.000 0.000 0.296 606 R C -1.535 174.863 176.300 0.162 0.000 1.012 606 R CA -0.448 55.748 56.100 0.161 0.000 0.897 606 R CB 1.352 31.752 30.300 0.166 0.000 1.184 606 R HN 0.691 nan 8.270 nan 0.000 0.440 607 L N 3.591 124.909 121.223 0.157 0.000 2.461 607 L HA 0.313 4.653 4.340 -0.000 0.000 0.272 607 L C -0.282 176.691 176.870 0.171 0.000 1.197 607 L CA -0.490 54.452 54.840 0.168 0.000 0.836 607 L CB 1.028 43.185 42.059 0.163 0.000 1.105 607 L HN 0.322 nan 8.230 nan 0.000 0.477 608 V N 1.905 121.929 119.914 0.182 0.000 2.384 608 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 608 V C 0.079 176.273 176.094 0.167 0.000 1.020 608 V CA -0.328 62.082 62.300 0.184 0.000 0.850 608 V CB 1.618 33.594 31.823 0.255 0.000 0.987 608 V HN 0.787 nan 8.190 nan 0.000 0.436 609 T N 2.831 117.478 114.554 0.156 0.000 2.900 609 T HA 0.392 4.742 4.350 -0.000 0.000 0.295 609 T C -0.112 174.693 174.700 0.174 0.000 1.044 609 T CA -0.200 61.996 62.100 0.160 0.000 0.995 609 T CB 1.850 70.806 68.868 0.147 0.000 1.072 609 T HN 0.731 nan 8.240 nan 0.000 0.473 610 S N 0.760 116.576 115.700 0.194 0.000 2.568 610 S HA 0.179 4.649 4.470 -0.000 0.000 0.282 610 S C 1.326 175.984 174.600 0.098 0.000 1.338 610 S CA 0.343 58.666 58.200 0.206 0.000 1.045 610 S CB 0.316 63.636 63.200 0.199 0.000 0.873 610 S HN 0.873 nan 8.310 nan 0.000 0.516 611 T N 1.911 116.457 114.554 -0.014 0.000 3.085 611 T HA 0.398 4.748 4.350 -0.000 0.000 0.264 611 T C 0.084 174.642 174.700 -0.238 0.000 1.019 611 T CA -0.543 61.505 62.100 -0.087 0.000 0.910 611 T CB 0.086 68.942 68.868 -0.020 0.000 1.059 611 T HN 0.354 nan 8.240 nan 0.000 0.542 612 R N 0.604 120.882 120.500 -0.369 0.000 2.599 612 R HA 0.775 5.115 4.340 -0.000 0.000 0.295 612 R C 1.028 177.263 176.300 -0.110 0.000 0.963 612 R CA -0.457 55.450 56.100 -0.322 0.000 0.883 612 R CB 1.221 31.181 30.300 -0.566 0.000 1.171 612 R HN 0.146 nan 8.270 nan 0.000 0.450 613 A N 1.360 124.151 122.820 -0.048 0.000 1.972 613 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 613 A C 0.234 177.874 177.584 0.094 0.000 1.169 613 A CA 1.611 53.654 52.037 0.010 0.000 0.635 613 A CB -0.233 18.767 19.000 -0.001 0.000 0.810 613 A HN 0.639 nan 8.150 nan 0.000 0.446 614 H N -2.523 116.527 119.070 -0.033 0.000 3.155 614 H HA 0.581 5.137 4.556 -0.000 0.000 0.328 614 H C -0.945 174.393 175.328 0.016 0.000 1.059 614 H CA -0.462 55.590 56.048 0.005 0.000 1.378 614 H CB 0.899 30.658 29.762 -0.004 0.000 1.998 614 H HN 0.713 nan 8.280 nan 0.000 0.480 615 A N 3.880 126.745 122.820 0.074 0.000 2.574 615 A HA 0.408 4.728 4.320 -0.000 0.000 0.298 615 A C -1.507 176.148 177.584 0.118 0.000 0.987 615 A CA -1.019 51.031 52.037 0.021 0.000 0.678 615 A CB 0.978 20.029 19.000 0.084 0.000 1.296 615 A HN 0.365 nan 8.150 nan 0.000 0.420 616 K N 1.217 121.666 120.400 0.082 0.000 2.298 616 K HA 0.422 4.742 4.320 -0.000 0.000 0.280 616 K C -0.370 176.306 176.600 0.126 0.000 1.032 616 K CA 0.025 56.366 56.287 0.091 0.000 0.958 616 K CB 0.534 33.059 32.500 0.041 0.000 0.978 616 K HN 0.551 nan 8.250 nan 0.000 0.472 617 I N 3.798 124.422 120.570 0.091 0.000 2.379 617 I HA 0.002 4.171 4.170 -0.000 0.000 0.290 617 I C 1.581 177.676 176.117 -0.036 0.000 1.063 617 I CA 0.241 61.535 61.300 -0.010 0.000 1.351 617 I CB 0.403 38.392 38.000 -0.018 0.000 1.410 617 I HN 0.583 nan 8.210 nan 0.000 0.505 618 K N 3.834 124.185 120.400 -0.082 0.000 2.360 618 K HA 0.273 4.593 4.320 -0.000 0.000 0.196 618 K C 0.190 176.746 176.600 -0.073 0.000 1.049 618 K CA -0.052 56.202 56.287 -0.055 0.000 1.049 618 K CB 0.610 33.091 32.500 -0.032 0.000 0.881 618 K HN 0.586 nan 8.250 nan 0.000 0.542 619 S N 0.279 115.908 115.700 -0.118 0.000 2.578 619 S HA 0.471 4.941 4.470 -0.000 0.000 0.285 619 S C -1.326 173.182 174.600 -0.153 0.000 1.126 619 S CA -1.023 57.111 58.200 -0.110 0.000 0.878 619 S CB 0.908 64.050 63.200 -0.096 0.000 1.091 619 S HN 0.199 nan 8.310 nan 0.000 0.450 620 I N 2.394 122.886 120.570 -0.129 0.000 2.498 620 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 620 I C -1.370 174.635 176.117 -0.187 0.000 1.032 620 I CA -0.460 60.734 61.300 -0.175 0.000 1.073 620 I CB 2.081 39.991 38.000 -0.150 0.000 1.251 620 I HN 0.707 nan 8.210 nan 0.000 0.426 621 D N 5.289 125.554 120.400 -0.225 0.000 2.492 621 D HA 0.381 5.021 4.640 -0.000 0.000 0.248 621 D C 0.232 176.372 176.300 -0.266 0.000 1.101 621 D CA -0.482 53.397 54.000 -0.202 0.000 0.840 621 D CB 2.160 42.867 40.800 -0.155 0.000 1.209 621 D HN 0.330 nan 8.370 nan 0.000 0.524 622 V N 1.493 121.250 119.914 -0.263 0.000 3.528 622 V HA 0.149 4.269 4.120 -0.000 0.000 0.294 622 V C 1.539 177.461 176.094 -0.288 0.000 1.404 622 V CA 0.678 62.789 62.300 -0.315 0.000 1.065 622 V CB -0.237 31.408 31.823 -0.297 0.000 0.904 622 V HN 0.466 nan 8.190 nan 0.000 0.435 623 S N 0.130 115.701 115.700 -0.214 0.000 2.453 623 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 623 S C 1.672 176.151 174.600 -0.202 0.000 1.005 623 S CA 1.037 59.123 58.200 -0.190 0.000 0.949 623 S CB -0.287 62.836 63.200 -0.127 0.000 0.774 623 S HN 0.601 nan 8.310 nan 0.000 0.510 624 E N 2.004 122.089 120.200 -0.190 0.000 2.076 624 E HA 0.135 4.485 4.350 -0.000 0.000 0.190 624 E C 2.444 178.910 176.600 -0.223 0.000 0.979 624 E CA 1.083 57.385 56.400 -0.164 0.000 0.807 624 E CB -0.743 28.888 29.700 -0.115 0.000 0.761 624 E HN 0.630 nan 8.360 nan 0.000 0.454 625 A N 1.507 124.147 122.820 -0.301 0.000 1.908 625 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 625 A C 2.105 179.164 177.584 -0.875 0.000 1.181 625 A CA 1.596 53.385 52.037 -0.412 0.000 0.627 625 A CB -0.644 18.154 19.000 -0.337 0.000 0.818 625 A HN 0.224 nan 8.150 nan 0.000 0.445 626 Q N -0.565 118.626 119.800 -1.015 0.000 2.297 626 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 626 Q C 1.489 177.264 176.000 -0.375 0.000 0.981 626 Q CA 1.577 56.834 55.803 -0.911 0.000 0.876 626 Q CB -0.148 28.319 28.738 -0.452 0.000 0.921 626 Q HN 0.658 nan 8.270 nan 0.000 0.446 627 K N -0.263 119.974 120.400 -0.273 0.000 2.393 627 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 627 K C -0.131 176.409 176.600 -0.100 0.000 1.026 627 K CA -0.112 56.092 56.287 -0.138 0.000 1.064 627 K CB 0.813 33.245 32.500 -0.113 0.000 0.833 627 K HN -0.064 nan 8.250 nan 0.000 0.521 628 V N 3.800 123.650 119.914 -0.107 0.000 2.614 628 V HA 0.077 4.196 4.120 -0.000 0.000 0.291 628 V C -2.222 173.818 176.094 -0.091 0.000 1.049 628 V CA -1.868 60.394 62.300 -0.063 0.000 1.038 628 V CB 0.514 32.340 31.823 0.006 0.000 0.980 628 V HN 0.057 nan 8.190 nan 0.000 0.481 629 P HA 0.192 nan 4.420 nan 0.000 0.264 629 P C 0.917 177.937 177.300 -0.466 0.000 1.193 629 P CA 1.304 64.211 63.100 -0.322 0.000 0.763 629 P CB 0.429 31.887 31.700 -0.404 0.000 0.810 630 G N 2.530 111.247 108.800 -0.139 0.000 2.176 630 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.253 630 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.253 630 G C 0.078 175.041 174.900 0.106 0.000 0.979 630 G CA -0.444 44.664 45.100 0.013 0.000 0.641 630 G HN 0.551 nan 8.290 nan 0.000 0.530 631 F N 1.367 121.308 119.950 -0.016 0.000 2.602 631 F HA 0.393 4.920 4.527 -0.000 0.000 0.385 631 F C 1.367 177.199 175.800 0.054 0.000 1.063 631 F CA 0.916 58.937 58.000 0.035 0.000 1.233 631 F CB 0.937 39.948 39.000 0.018 0.000 1.067 631 F HN -0.072 nan 8.300 nan 0.000 0.564 632 V N 5.037 124.645 119.914 -0.511 0.000 2.599 632 V HA 0.045 4.165 4.120 -0.000 0.000 0.237 632 V C 0.534 176.337 176.094 -0.485 0.000 1.081 632 V CA 1.252 63.361 62.300 -0.319 0.000 1.107 632 V CB 0.373 32.108 31.823 -0.147 0.000 0.808 632 V HN 1.019 nan 8.190 nan 0.000 0.486 633 C N -2.227 116.610 119.300 -0.772 0.000 3.306 633 C HA 0.682 5.142 4.460 -0.000 0.000 0.335 633 C C -1.245 173.574 174.990 -0.284 0.000 1.382 633 C CA -1.366 57.375 59.018 -0.462 0.000 1.254 633 C CB 0.932 28.598 27.740 -0.124 0.000 1.555 633 C HN 0.293 nan 8.230 nan 0.000 0.463 634 F N 1.564 121.516 119.950 0.003 0.000 2.458 634 F HA 0.839 5.366 4.527 -0.000 0.000 0.336 634 F C -0.790 174.991 175.800 -0.031 0.000 1.114 634 F CA -1.212 56.822 58.000 0.056 0.000 0.987 634 F CB 0.906 40.015 39.000 0.182 0.000 1.130 634 F HN 0.700 nan 8.300 nan 0.000 0.458 635 L N 5.453 126.118 121.223 -0.930 0.000 2.325 635 L HA 0.726 5.066 4.340 -0.000 0.000 0.278 635 L C -0.251 175.796 176.870 -1.370 0.000 1.023 635 L CA -0.517 53.836 54.840 -0.812 0.000 0.811 635 L CB 1.877 43.688 42.059 -0.413 0.000 1.249 635 L HN 0.820 nan 8.230 nan 0.000 0.431 636 S N 0.828 116.024 115.700 -0.841 0.000 2.752 636 S HA 0.592 5.062 4.470 -0.000 0.000 0.284 636 S C 0.575 175.092 174.600 -0.139 0.000 1.189 636 S CA -0.090 57.663 58.200 -0.746 0.000 0.835 636 S CB 1.190 64.177 63.200 -0.355 0.000 1.192 636 S HN 0.640 nan 8.310 nan 0.000 0.506 637 A N 0.848 123.709 122.820 0.069 0.000 1.958 637 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 637 A C 1.471 179.124 177.584 0.115 0.000 1.178 637 A CA 2.323 54.482 52.037 0.204 0.000 0.642 637 A CB -1.336 17.744 19.000 0.133 0.000 0.816 637 A HN 0.817 nan 8.150 nan 0.000 0.453 638 D N -0.060 120.375 120.400 0.059 0.000 2.371 638 D HA -0.041 4.599 4.640 -0.000 0.000 0.221 638 D C 0.716 177.048 176.300 0.053 0.000 0.986 638 D CA 0.647 54.676 54.000 0.048 0.000 0.899 638 D CB -0.206 40.616 40.800 0.037 0.000 0.902 638 D HN 0.476 nan 8.370 nan 0.000 0.530 639 D N 0.018 120.456 120.400 0.063 0.000 2.349 639 D HA 0.048 4.688 4.640 -0.000 0.000 0.215 639 D C 0.701 177.067 176.300 0.111 0.000 1.016 639 D CA -0.015 54.035 54.000 0.083 0.000 0.870 639 D CB 1.041 41.877 40.800 0.060 0.000 0.917 639 D HN 0.253 nan 8.370 nan 0.000 0.524 640 I N 3.382 124.002 120.570 0.083 0.000 2.452 640 I HA -0.002 4.168 4.170 -0.000 0.000 0.287 640 I C -0.925 175.171 176.117 -0.035 0.000 1.079 640 I CA -1.188 60.120 61.300 0.013 0.000 1.387 640 I CB 1.418 39.416 38.000 -0.003 0.000 1.404 640 I HN -0.175 nan 8.210 nan 0.000 0.522 641 P HA 0.002 nan 4.420 nan 0.000 0.224 641 P C 0.922 178.148 177.300 -0.123 0.000 1.157 641 P CA 0.813 63.832 63.100 -0.136 0.000 0.799 641 P CB 0.518 32.004 31.700 -0.357 0.000 0.809 642 G N -0.595 108.117 108.800 -0.148 0.000 2.529 642 G HA2 0.219 4.178 3.960 -0.000 0.000 0.220 642 G HA3 0.219 4.178 3.960 -0.000 0.000 0.220 642 G C -0.292 174.558 174.900 -0.083 0.000 1.976 642 G CA 0.183 45.217 45.100 -0.110 0.000 0.789 642 G HN 0.298 nan 8.290 nan 0.000 0.695 643 S N -0.464 115.180 115.700 -0.094 0.000 2.521 643 S HA 0.406 4.876 4.470 -0.000 0.000 0.295 643 S C -0.052 174.488 174.600 -0.100 0.000 1.098 643 S CA -0.625 57.525 58.200 -0.083 0.000 0.999 643 S CB 1.702 64.852 63.200 -0.084 0.000 1.034 643 S HN 0.279 nan 8.310 nan 0.000 0.483 644 N N 2.473 121.127 118.700 -0.076 0.000 2.322 644 N HA 0.060 4.800 4.740 -0.000 0.000 0.194 644 N C -0.033 175.423 175.510 -0.091 0.000 1.126 644 N CA 0.068 53.069 53.050 -0.082 0.000 0.845 644 N CB 0.290 38.761 38.487 -0.026 0.000 0.976 644 N HN 0.756 nan 8.380 nan 0.000 0.475 645 E N 0.066 120.207 120.200 -0.099 0.000 2.115 645 E HA 0.241 4.591 4.350 -0.000 0.000 0.282 645 E C -0.798 175.688 176.600 -0.191 0.000 0.987 645 E CA -0.198 56.138 56.400 -0.107 0.000 0.797 645 E CB 0.846 30.502 29.700 -0.074 0.000 1.086 645 E HN 0.027 nan 8.360 nan 0.000 0.397 646 T N 2.288 116.697 114.554 -0.242 0.000 2.654 646 T HA 0.749 5.099 4.350 -0.000 0.000 0.289 646 T C -0.538 173.892 174.700 -0.449 0.000 1.062 646 T CA 0.443 62.267 62.100 -0.460 0.000 1.041 646 T CB 1.195 69.784 68.868 -0.465 0.000 1.417 646 T HN 0.957 nan 8.240 nan 0.000 0.510 647 G N 0.513 108.873 108.800 -0.732 0.000 2.690 647 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.686 647 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.686 647 G C 0.225 175.051 174.900 -0.125 0.000 1.277 647 G CA -0.171 44.752 45.100 -0.295 0.000 0.799 647 G HN 0.930 nan 8.290 nan 0.000 0.613 648 L N 0.113 121.414 121.223 0.130 0.000 2.043 648 L HA 0.143 4.483 4.340 -0.000 0.000 0.212 648 L C 2.159 178.784 176.870 -0.409 0.000 1.075 648 L CA 2.448 57.276 54.840 -0.021 0.000 0.752 648 L CB -0.521 41.510 42.059 -0.046 0.000 0.891 648 L HN 0.565 nan 8.230 nan 0.000 0.432 649 F N -0.759 119.211 119.950 0.035 0.000 2.708 649 F HA 0.261 4.788 4.527 -0.000 0.000 0.300 649 F C 1.070 176.849 175.800 -0.034 0.000 1.118 649 F CA -0.398 57.601 58.000 -0.002 0.000 1.307 649 F CB -0.260 38.724 39.000 -0.026 0.000 0.986 649 F HN 0.060 nan 8.300 nan 0.000 0.522 650 N N 1.374 120.072 118.700 -0.002 0.000 2.714 650 N HA -0.193 4.546 4.740 -0.000 0.000 0.250 650 N C -0.113 175.392 175.510 -0.009 0.000 1.117 650 N CA 1.288 54.311 53.050 -0.045 0.000 0.719 650 N CB -0.910 37.563 38.487 -0.023 0.000 1.081 650 N HN 0.520 nan 8.380 nan 0.000 0.557 651 D N -0.671 119.736 120.400 0.012 0.000 2.501 651 D HA 0.147 4.787 4.640 -0.000 0.000 0.226 651 D C 0.118 176.424 176.300 0.010 0.000 1.198 651 D CA 0.136 54.150 54.000 0.022 0.000 0.830 651 D CB 0.208 41.025 40.800 0.028 0.000 1.014 651 D HN 0.354 nan 8.370 nan 0.000 0.496 652 E N -0.104 120.086 120.200 -0.017 0.000 2.336 652 E HA 0.456 4.806 4.350 -0.000 0.000 0.267 652 E C -0.444 176.154 176.600 -0.005 0.000 0.906 652 E CA -0.961 55.441 56.400 0.003 0.000 0.781 652 E CB 1.714 31.402 29.700 -0.020 0.000 1.261 652 E HN 0.095 nan 8.360 nan 0.000 0.436 653 T N -1.667 112.922 114.554 0.059 0.000 2.922 653 T HA 0.207 4.557 4.350 -0.000 0.000 0.285 653 T C 1.127 175.798 174.700 -0.047 0.000 1.005 653 T CA -0.816 61.296 62.100 0.020 0.000 1.061 653 T CB 1.308 70.219 68.868 0.072 0.000 1.007 653 T HN 0.175 nan 8.240 nan 0.000 0.502 654 V N 0.353 120.177 119.914 -0.151 0.000 2.270 654 V HA 0.114 4.234 4.120 -0.000 0.000 0.245 654 V C 0.377 176.242 176.094 -0.381 0.000 1.043 654 V CA 1.185 63.285 62.300 -0.332 0.000 1.014 654 V CB -0.667 30.861 31.823 -0.492 0.000 0.645 654 V HN 0.846 nan 8.190 nan 0.000 0.447 655 F N -0.665 119.259 119.950 -0.043 0.000 2.518 655 F HA 0.697 5.224 4.527 -0.000 0.000 0.323 655 F C 0.383 176.132 175.800 -0.085 0.000 1.129 655 F CA -0.936 57.024 58.000 -0.067 0.000 0.920 655 F CB 1.139 40.097 39.000 -0.070 0.000 1.160 655 F HN 0.027 nan 8.300 nan 0.000 0.440 656 A N 3.712 126.539 122.820 0.012 0.000 2.565 656 A HA 0.085 4.405 4.320 -0.000 0.000 0.237 656 A C 0.913 178.510 177.584 0.022 0.000 1.053 656 A CA 0.250 52.224 52.037 -0.105 0.000 0.755 656 A CB 0.489 19.251 19.000 -0.396 0.000 0.980 656 A HN 1.026 nan 8.150 nan 0.000 0.506 657 K N 0.132 120.559 120.400 0.046 0.000 2.312 657 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 657 K C 0.347 176.977 176.600 0.051 0.000 1.121 657 K CA 0.601 56.921 56.287 0.054 0.000 0.923 657 K CB 0.317 32.852 32.500 0.058 0.000 1.162 657 K HN 0.759 nan 8.250 nan 0.000 0.478 658 D N 0.064 120.502 120.400 0.064 0.000 2.463 658 D HA 0.006 4.646 4.640 -0.000 0.000 0.237 658 D C 0.153 176.505 176.300 0.087 0.000 1.013 658 D CA 0.776 54.814 54.000 0.063 0.000 0.910 658 D CB 1.131 41.968 40.800 0.061 0.000 1.080 658 D HN 0.317 nan 8.370 nan 0.000 0.498 659 T N -0.670 113.958 114.554 0.123 0.000 2.916 659 T HA 0.509 4.859 4.350 -0.000 0.000 0.298 659 T C -0.148 174.698 174.700 0.243 0.000 1.031 659 T CA -0.942 61.267 62.100 0.181 0.000 0.993 659 T CB 2.319 71.310 68.868 0.205 0.000 1.045 659 T HN -0.108 nan 8.240 nan 0.000 0.454 660 V N 1.411 121.501 119.914 0.293 0.000 2.607 660 V HA 0.748 4.868 4.120 -0.000 0.000 0.289 660 V C 0.801 177.152 176.094 0.428 0.000 1.053 660 V CA 0.142 62.696 62.300 0.423 0.000 0.996 660 V CB 0.847 32.874 31.823 0.340 0.000 0.995 660 V HN 1.215 nan 8.190 nan 0.000 0.476 661 T N -0.515 114.266 114.554 0.377 0.000 3.200 661 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 661 T C 0.161 174.804 174.700 -0.094 0.000 1.009 661 T CA 0.292 62.393 62.100 0.001 0.000 0.907 661 T CB -0.770 68.002 68.868 -0.159 0.000 1.120 661 T HN 1.676 nan 8.240 nan 0.000 0.534 662 C N -1.743 117.563 119.300 0.011 0.000 3.292 662 C HA 0.689 5.149 4.460 -0.000 0.000 0.338 662 C C 1.260 176.293 174.990 0.072 0.000 1.323 662 C CA -0.678 58.341 59.018 0.002 0.000 1.232 662 C CB 0.770 28.478 27.740 -0.053 0.000 1.517 662 C HN 0.030 nan 8.230 nan 0.000 0.470 663 V N 2.048 121.989 119.914 0.045 0.000 2.233 663 V HA -0.001 4.118 4.120 -0.000 0.000 0.247 663 V C 2.405 178.555 176.094 0.093 0.000 1.050 663 V CA 2.971 65.299 62.300 0.046 0.000 1.010 663 V CB -0.890 30.949 31.823 0.026 0.000 0.637 663 V HN 1.252 nan 8.190 nan 0.000 0.444 664 G N -1.518 107.346 108.800 0.106 0.000 3.424 664 G HA2 0.000 3.960 3.960 -0.000 0.000 0.263 664 G HA3 0.000 3.960 3.960 -0.000 0.000 0.263 664 G C 0.314 175.330 174.900 0.194 0.000 1.310 664 G CA -0.292 44.887 45.100 0.131 0.000 1.089 664 G HN 0.646 nan 8.290 nan 0.000 0.534 665 H N 0.364 119.488 119.070 0.090 0.000 2.848 665 H HA 0.231 4.787 4.556 -0.000 0.000 0.317 665 H C 0.032 175.441 175.328 0.135 0.000 1.046 665 H CA -0.825 55.284 56.048 0.102 0.000 1.470 665 H CB 0.761 30.584 29.762 0.102 0.000 1.483 665 H HN 0.010 nan 8.280 nan 0.000 0.548 666 I N 7.302 128.001 120.570 0.216 0.000 2.436 666 I HA -0.102 4.068 4.170 -0.000 0.000 0.289 666 I C 0.899 177.067 176.117 0.085 0.000 1.083 666 I CA 0.326 61.724 61.300 0.164 0.000 1.372 666 I CB 0.736 38.866 38.000 0.216 0.000 1.408 666 I HN 0.684 nan 8.210 nan 0.000 0.516 667 I N 4.617 125.250 120.570 0.106 0.000 3.172 667 I HA 0.282 4.452 4.170 -0.000 0.000 0.278 667 I C 1.203 177.298 176.117 -0.038 0.000 1.174 667 I CA 0.217 61.554 61.300 0.061 0.000 1.445 667 I CB 0.231 38.281 38.000 0.082 0.000 1.175 667 I HN 0.716 nan 8.210 nan 0.000 0.447 668 G N 0.230 108.974 108.800 -0.094 0.000 2.561 668 G HA2 0.759 4.718 3.960 -0.000 0.000 0.310 668 G HA3 0.759 4.718 3.960 -0.000 0.000 0.310 668 G C -2.062 172.634 174.900 -0.340 0.000 1.292 668 G CA 0.092 44.802 45.100 -0.651 0.000 0.811 668 G HN 0.179 nan 8.290 nan 0.000 0.482 669 A N -1.387 121.124 122.820 -0.516 0.000 2.594 669 A HA 0.793 5.113 4.320 -0.000 0.000 0.295 669 A C -1.483 176.083 177.584 -0.030 0.000 1.071 669 A CA -0.467 51.524 52.037 -0.077 0.000 0.685 669 A CB 1.782 20.816 19.000 0.058 0.000 1.285 669 A HN 1.474 nan 8.150 nan 0.000 0.405 670 V N 1.005 121.017 119.914 0.163 0.000 2.547 670 V HA 0.623 4.742 4.120 -0.000 0.000 0.299 670 V C -0.507 175.630 176.094 0.072 0.000 1.040 670 V CA -0.402 62.019 62.300 0.201 0.000 0.913 670 V CB 1.802 33.821 31.823 0.326 0.000 0.992 670 V HN 0.740 nan 8.190 nan 0.000 0.449 671 V N 3.785 123.664 119.914 -0.058 0.000 2.540 671 V HA 0.931 5.051 4.120 -0.000 0.000 0.302 671 V C 0.150 176.185 176.094 -0.098 0.000 1.035 671 V CA -0.152 62.124 62.300 -0.041 0.000 0.873 671 V CB 1.437 33.225 31.823 -0.058 0.000 0.992 671 V HN 1.075 nan 8.190 nan 0.000 0.428 672 A N 2.903 125.759 122.820 0.061 0.000 2.504 672 A HA 0.725 5.045 4.320 -0.000 0.000 0.285 672 A C 0.396 178.102 177.584 0.203 0.000 1.261 672 A CA 0.010 52.108 52.037 0.101 0.000 0.741 672 A CB 1.409 20.525 19.000 0.194 0.000 1.327 672 A HN 0.753 nan 8.150 nan 0.000 0.441 673 D N -0.587 119.945 120.400 0.220 0.000 2.348 673 D HA 0.071 4.710 4.640 -0.000 0.000 0.211 673 D C 0.598 177.072 176.300 0.290 0.000 0.998 673 D CA 1.443 55.591 54.000 0.245 0.000 0.873 673 D CB -0.150 40.756 40.800 0.177 0.000 0.925 673 D HN 0.667 nan 8.370 nan 0.000 0.524 674 T N -4.460 110.187 114.554 0.156 0.000 2.883 674 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 674 T C -2.374 172.128 174.700 -0.331 0.000 1.117 674 T CA -1.495 60.438 62.100 -0.278 0.000 1.006 674 T CB 2.625 71.268 68.868 -0.376 0.000 1.191 674 T HN -0.357 nan 8.240 nan 0.000 0.508 675 P HA 0.004 nan 4.420 nan 0.000 0.219 675 P C 0.918 178.124 177.300 -0.157 0.000 1.150 675 P CA 1.062 63.962 63.100 -0.332 0.000 0.814 675 P CB 0.226 31.668 31.700 -0.430 0.000 0.787 676 E N -0.772 119.284 120.200 -0.239 0.000 2.077 676 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 676 E C 2.195 178.773 176.600 -0.037 0.000 0.989 676 E CA 1.170 57.472 56.400 -0.162 0.000 0.800 676 E CB -0.854 28.696 29.700 -0.250 0.000 0.746 676 E HN 0.395 nan 8.360 nan 0.000 0.452 677 H N -0.167 118.899 119.070 -0.006 0.000 2.389 677 H HA 0.097 4.653 4.556 -0.000 0.000 0.299 677 H C 1.983 177.372 175.328 0.103 0.000 1.081 677 H CA 1.237 57.318 56.048 0.054 0.000 1.345 677 H CB -0.599 29.203 29.762 0.066 0.000 1.393 677 H HN 0.229 nan 8.280 nan 0.000 0.520 678 A N 0.921 123.870 122.820 0.214 0.000 1.933 678 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 678 A C 2.398 180.091 177.584 0.183 0.000 1.175 678 A CA 1.862 54.019 52.037 0.201 0.000 0.628 678 A CB -0.382 18.731 19.000 0.189 0.000 0.814 678 A HN 0.545 nan 8.150 nan 0.000 0.444 679 E N -0.517 119.766 120.200 0.138 0.000 2.047 679 E HA -0.197 4.152 4.350 -0.000 0.000 0.191 679 E C 2.311 178.998 176.600 0.145 0.000 0.987 679 E CA 0.965 57.438 56.400 0.123 0.000 0.799 679 E CB -0.183 29.559 29.700 0.070 0.000 0.752 679 E HN 0.564 nan 8.360 nan 0.000 0.449 680 R N -0.059 120.525 120.500 0.141 0.000 2.081 680 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 680 R C 2.226 178.626 176.300 0.167 0.000 1.131 680 R CA 1.310 57.496 56.100 0.144 0.000 0.960 680 R CB -0.241 30.145 30.300 0.144 0.000 0.856 680 R HN 0.233 nan 8.270 nan 0.000 0.436 681 A N 0.527 123.461 122.820 0.190 0.000 1.898 681 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 681 A C 2.315 180.006 177.584 0.178 0.000 1.181 681 A CA 1.462 53.615 52.037 0.195 0.000 0.620 681 A CB -0.687 18.531 19.000 0.362 0.000 0.819 681 A HN 0.493 nan 8.150 nan 0.000 0.442 682 A N -0.919 122.024 122.820 0.204 0.000 1.940 682 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 682 A C 1.993 179.657 177.584 0.134 0.000 1.176 682 A CA 2.163 54.307 52.037 0.179 0.000 0.631 682 A CB -0.856 18.258 19.000 0.189 0.000 0.814 682 A HN 0.776 nan 8.150 nan 0.000 0.446 683 H N -1.449 117.664 119.070 0.071 0.000 2.457 683 H HA 0.087 4.643 4.556 -0.000 0.000 0.294 683 H C 1.431 176.773 175.328 0.024 0.000 1.064 683 H CA 1.572 57.651 56.048 0.051 0.000 1.330 683 H CB 0.095 29.887 29.762 0.050 0.000 1.395 683 H HN 0.149 nan 8.280 nan 0.000 0.541 684 V N 0.526 120.443 119.914 0.004 0.000 3.647 684 V HA 0.109 4.228 4.120 -0.000 0.000 0.279 684 V C 0.051 176.075 176.094 -0.116 0.000 1.314 684 V CA 0.074 62.337 62.300 -0.060 0.000 1.125 684 V CB 0.150 31.972 31.823 -0.001 0.000 0.907 684 V HN 0.112 nan 8.190 nan 0.000 0.434 685 V N 2.047 121.890 119.914 -0.119 0.000 2.485 685 V HA 0.157 4.277 4.120 -0.000 0.000 0.287 685 V C 0.218 176.203 176.094 -0.181 0.000 1.022 685 V CA -0.013 62.169 62.300 -0.197 0.000 1.067 685 V CB 0.853 32.534 31.823 -0.236 0.000 0.967 685 V HN 0.299 nan 8.190 nan 0.000 0.479 686 K N 4.253 124.535 120.400 -0.197 0.000 2.240 686 K HA 0.590 4.910 4.320 -0.000 0.000 0.271 686 K C -0.823 175.661 176.600 -0.193 0.000 1.018 686 K CA -0.211 55.979 56.287 -0.163 0.000 0.874 686 K CB 1.647 34.065 32.500 -0.137 0.000 1.098 686 K HN 0.473 nan 8.250 nan 0.000 0.458 687 V N 2.187 121.979 119.914 -0.202 0.000 2.581 687 V HA 0.515 4.635 4.120 -0.000 0.000 0.303 687 V C -0.055 175.756 176.094 -0.472 0.000 1.041 687 V CA -0.808 61.278 62.300 -0.357 0.000 0.907 687 V CB 2.086 33.649 31.823 -0.434 0.000 0.994 687 V HN 0.677 nan 8.190 nan 0.000 0.442 688 T N 3.708 117.959 114.554 -0.504 0.000 2.807 688 T HA 0.699 5.049 4.350 -0.000 0.000 0.279 688 T C -1.301 173.160 174.700 -0.398 0.000 0.993 688 T CA -0.168 61.732 62.100 -0.332 0.000 0.970 688 T CB 0.676 69.448 68.868 -0.160 0.000 0.950 688 T HN 0.479 nan 8.240 nan 0.000 0.441 689 Y N 1.129 121.425 120.300 -0.007 0.000 2.524 689 Y HA 0.538 5.088 4.550 -0.000 0.000 0.344 689 Y C 0.338 176.233 175.900 -0.008 0.000 1.012 689 Y CA -1.197 56.901 58.100 -0.002 0.000 1.068 689 Y CB 1.651 40.115 38.460 0.007 0.000 1.249 689 Y HN 0.524 nan 8.280 nan 0.000 0.468 690 E N 2.099 122.392 120.200 0.156 0.000 2.141 690 E HA 0.219 4.568 4.350 -0.000 0.000 0.259 690 E C -1.434 175.193 176.600 0.045 0.000 0.883 690 E CA -0.825 55.621 56.400 0.076 0.000 0.744 690 E CB 0.585 30.305 29.700 0.033 0.000 1.150 690 E HN 0.527 nan 8.360 nan 0.000 0.420 691 D N 3.746 124.159 120.400 0.022 0.000 2.455 691 D HA 0.137 4.777 4.640 -0.000 0.000 0.241 691 D C -0.158 176.092 176.300 -0.084 0.000 1.138 691 D CA 0.587 54.568 54.000 -0.031 0.000 0.877 691 D CB 0.693 41.478 40.800 -0.026 0.000 1.187 691 D HN 0.411 nan 8.370 nan 0.000 0.451 692 L N 2.895 124.013 121.223 -0.176 0.000 2.323 692 L HA 0.419 4.759 4.340 -0.000 0.000 0.265 692 L C -2.195 174.585 176.870 -0.150 0.000 1.012 692 L CA -2.188 52.496 54.840 -0.260 0.000 0.820 692 L CB 1.600 43.300 42.059 -0.599 0.000 1.334 692 L HN 0.120 nan 8.230 nan 0.000 0.427 693 P HA 0.076 nan 4.420 nan 0.000 0.261 693 P C -0.976 176.411 177.300 0.145 0.000 1.183 693 P CA 0.027 63.144 63.100 0.027 0.000 0.761 693 P CB 0.527 32.240 31.700 0.022 0.000 0.785 694 A N 4.299 127.174 122.820 0.091 0.000 2.312 694 A HA 0.671 4.991 4.320 -0.000 0.000 0.328 694 A C -0.221 177.361 177.584 -0.003 0.000 1.158 694 A CA -0.770 51.313 52.037 0.076 0.000 0.821 694 A CB 0.583 19.609 19.000 0.043 0.000 1.170 694 A HN 0.494 nan 8.150 nan 0.000 0.490 695 I N 3.461 124.001 120.570 -0.050 0.000 2.382 695 I HA 0.230 4.400 4.170 -0.000 0.000 0.285 695 I C 0.008 176.062 176.117 -0.105 0.000 1.007 695 I CA -0.311 60.935 61.300 -0.090 0.000 1.142 695 I CB 1.287 39.210 38.000 -0.129 0.000 1.289 695 I HN 0.594 nan 8.210 nan 0.000 0.453 696 I N 2.986 123.497 120.570 -0.098 0.000 3.300 696 I HA 0.032 4.202 4.170 -0.000 0.000 0.279 696 I C 1.337 177.379 176.117 -0.125 0.000 1.172 696 I CA 0.924 62.152 61.300 -0.119 0.000 1.431 696 I CB -0.099 37.839 38.000 -0.104 0.000 1.240 696 I HN 0.519 nan 8.210 nan 0.000 0.453 697 T N -1.389 113.105 114.554 -0.100 0.000 2.934 697 T HA 0.522 4.872 4.350 -0.000 0.000 0.283 697 T C 1.365 176.023 174.700 -0.071 0.000 1.005 697 T CA -0.525 61.527 62.100 -0.079 0.000 1.041 697 T CB 2.221 71.044 68.868 -0.076 0.000 1.042 697 T HN -0.015 nan 8.240 nan 0.000 0.505 698 I N 0.567 121.124 120.570 -0.022 0.000 2.194 698 I HA -0.203 3.966 4.170 -0.000 0.000 0.246 698 I C 2.569 178.630 176.117 -0.095 0.000 1.093 698 I CA 1.565 62.854 61.300 -0.019 0.000 1.355 698 I CB -0.355 37.688 38.000 0.072 0.000 1.046 698 I HN 0.714 nan 8.210 nan 0.000 0.413 699 E N 0.767 120.912 120.200 -0.093 0.000 2.051 699 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 699 E C 1.816 178.349 176.600 -0.112 0.000 0.991 699 E CA 1.358 57.694 56.400 -0.108 0.000 0.799 699 E CB -0.285 29.366 29.700 -0.082 0.000 0.748 699 E HN 0.388 nan 8.360 nan 0.000 0.449 700 D N -0.037 120.300 120.400 -0.105 0.000 2.133 700 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 700 D C 1.785 177.986 176.300 -0.165 0.000 0.997 700 D CA 1.647 55.579 54.000 -0.113 0.000 0.840 700 D CB -0.355 40.385 40.800 -0.101 0.000 0.947 700 D HN 0.235 nan 8.370 nan 0.000 0.452 701 A N 0.254 122.951 122.820 -0.206 0.000 1.897 701 A HA -0.086 4.233 4.320 -0.000 0.000 0.215 701 A C 2.375 179.674 177.584 -0.475 0.000 1.181 701 A CA 0.755 52.584 52.037 -0.346 0.000 0.620 701 A CB -0.599 18.199 19.000 -0.335 0.000 0.821 701 A HN 0.180 nan 8.150 nan 0.000 0.443 702 I N 0.298 120.700 120.570 -0.279 0.000 2.179 702 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 702 I C 3.074 179.130 176.117 -0.101 0.000 1.088 702 I CA 1.895 63.124 61.300 -0.118 0.000 1.357 702 I CB -0.398 37.548 38.000 -0.090 0.000 1.051 702 I HN 0.378 nan 8.210 nan 0.000 0.409 703 K N 0.445 120.779 120.400 -0.110 0.000 2.113 703 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 703 K C 1.674 178.220 176.600 -0.091 0.000 1.047 703 K CA 2.117 58.357 56.287 -0.079 0.000 0.928 703 K CB -1.112 31.344 32.500 -0.073 0.000 0.716 703 K HN 0.449 nan 8.250 nan 0.000 0.446 704 N N -0.023 118.587 118.700 -0.150 0.000 2.336 704 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 704 N C -0.021 175.375 175.510 -0.190 0.000 1.113 704 N CA 0.562 53.524 53.050 -0.148 0.000 0.858 704 N CB 0.313 38.709 38.487 -0.152 0.000 0.970 704 N HN 0.579 nan 8.380 nan 0.000 0.471 705 N N 0.686 119.224 118.700 -0.269 0.000 2.758 705 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 705 N C -1.051 174.209 175.510 -0.417 0.000 1.076 705 N CA 0.523 53.433 53.050 -0.233 0.000 0.696 705 N CB -1.283 37.206 38.487 0.004 0.000 0.979 705 N HN 0.120 nan 8.380 nan 0.000 0.550 706 S N 1.098 116.323 115.700 -0.791 0.000 2.528 706 S HA 0.665 5.135 4.470 -0.000 0.000 0.303 706 S C -0.628 173.512 174.600 -0.766 0.000 1.123 706 S CA -0.606 57.251 58.200 -0.571 0.000 1.138 706 S CB -0.169 62.793 63.200 -0.397 0.000 0.984 706 S HN 0.279 nan 8.310 nan 0.000 0.474 707 F N 2.377 122.215 119.950 -0.188 0.000 2.577 707 F HA 0.466 4.993 4.527 -0.000 0.000 0.318 707 F C -0.535 175.109 175.800 -0.259 0.000 1.065 707 F CA -1.318 56.558 58.000 -0.206 0.000 0.929 707 F CB 1.465 40.426 39.000 -0.065 0.000 1.237 707 F HN 0.395 nan 8.300 nan 0.000 0.468 708 Y N 1.548 121.954 120.300 0.178 0.000 2.404 708 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 708 Y C 0.915 176.847 175.900 0.053 0.000 0.995 708 Y CA 0.134 58.277 58.100 0.072 0.000 1.201 708 Y CB 0.580 39.056 38.460 0.026 0.000 1.151 708 Y HN 0.899 nan 8.280 nan 0.000 0.517 709 G N 2.060 110.959 108.800 0.165 0.000 2.645 709 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.239 709 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.239 709 G C -0.293 174.631 174.900 0.040 0.000 1.331 709 G CA -0.316 44.825 45.100 0.069 0.000 0.890 709 G HN 1.007 nan 8.290 nan 0.000 0.572 710 S N -1.107 114.590 115.700 -0.006 0.000 2.739 710 S HA 0.685 5.155 4.470 -0.000 0.000 0.306 710 S C 0.115 174.654 174.600 -0.102 0.000 1.115 710 S CA 0.471 58.638 58.200 -0.055 0.000 0.985 710 S CB 2.001 65.179 63.200 -0.036 0.000 1.133 710 S HN 1.159 nan 8.310 nan 0.000 0.541 711 E N 0.118 120.231 120.200 -0.145 0.000 2.502 711 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 711 E C -0.977 175.545 176.600 -0.132 0.000 0.974 711 E CA 0.010 56.309 56.400 -0.169 0.000 0.936 711 E CB 0.271 29.880 29.700 -0.151 0.000 0.926 711 E HN 0.513 nan 8.360 nan 0.000 0.459 712 L N 4.437 125.558 121.223 -0.169 0.000 2.343 712 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 712 L C -0.136 176.691 176.870 -0.072 0.000 1.056 712 L CA -0.362 54.363 54.840 -0.192 0.000 0.804 712 L CB 1.249 43.099 42.059 -0.348 0.000 1.203 712 L HN 0.531 nan 8.230 nan 0.000 0.440 713 K N 3.537 123.966 120.400 0.049 0.000 2.543 713 K HA 0.560 4.880 4.320 -0.000 0.000 0.255 713 K C -1.704 175.075 176.600 0.298 0.000 0.934 713 K CA -0.504 55.871 56.287 0.146 0.000 0.810 713 K CB 1.883 34.444 32.500 0.102 0.000 1.315 713 K HN 0.458 nan 8.250 nan 0.000 0.433 714 I N 2.893 123.612 120.570 0.249 0.000 2.418 714 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 714 I C -0.694 175.547 176.117 0.207 0.000 1.008 714 I CA -0.622 60.824 61.300 0.243 0.000 1.104 714 I CB 1.967 40.114 38.000 0.244 0.000 1.264 714 I HN 0.627 nan 8.210 nan 0.000 0.438 715 E N 6.818 127.119 120.200 0.169 0.000 2.266 715 E HA 0.576 4.926 4.350 -0.000 0.000 0.268 715 E C -1.312 175.355 176.600 0.112 0.000 0.879 715 E CA -0.828 55.648 56.400 0.127 0.000 0.762 715 E CB 2.468 32.225 29.700 0.095 0.000 1.199 715 E HN 0.474 nan 8.360 nan 0.000 0.422 716 K N 2.515 122.968 120.400 0.089 0.000 2.546 716 K HA 0.551 4.870 4.320 -0.000 0.000 0.264 716 K C -0.296 176.320 176.600 0.027 0.000 0.937 716 K CA 0.121 56.448 56.287 0.066 0.000 0.833 716 K CB 1.594 34.148 32.500 0.091 0.000 1.378 716 K HN 0.740 nan 8.250 nan 0.000 0.432 717 G N 2.183 110.989 108.800 0.010 0.000 2.553 717 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 717 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 717 G C -1.250 173.640 174.900 -0.016 0.000 1.277 717 G CA 0.175 45.267 45.100 -0.015 0.000 0.910 717 G HN 0.658 nan 8.290 nan 0.000 0.576 718 D N 0.295 120.673 120.400 -0.037 0.000 2.469 718 D HA 0.508 5.148 4.640 -0.000 0.000 0.251 718 D C 1.487 177.753 176.300 -0.057 0.000 1.173 718 D CA -0.515 53.467 54.000 -0.030 0.000 0.882 718 D CB 1.184 41.968 40.800 -0.027 0.000 1.129 718 D HN 0.313 nan 8.370 nan 0.000 0.549 719 L N 2.938 124.143 121.223 -0.030 0.000 2.007 719 L HA -0.023 4.316 4.340 -0.000 0.000 0.205 719 L C 1.259 178.148 176.870 0.032 0.000 1.073 719 L CA 0.820 55.632 54.840 -0.046 0.000 0.744 719 L CB -0.054 42.045 42.059 0.067 0.000 0.898 719 L HN 0.276 nan 8.230 nan 0.000 0.435 720 K N 0.891 121.353 120.400 0.104 0.000 2.294 720 K HA -0.047 4.273 4.320 -0.000 0.000 0.288 720 K C 0.487 177.115 176.600 0.047 0.000 1.072 720 K CA 0.402 56.760 56.287 0.117 0.000 0.960 720 K CB 0.411 32.961 32.500 0.084 0.000 1.043 720 K HN 0.062 nan 8.250 nan 0.000 0.455 721 K N 2.328 122.748 120.400 0.032 0.000 2.496 721 K HA -0.096 4.224 4.320 -0.000 0.000 0.393 721 K C 1.140 177.706 176.600 -0.057 0.000 0.697 721 K CA 0.941 57.222 56.287 -0.011 0.000 1.690 721 K CB -1.409 31.079 32.500 -0.019 0.000 0.954 721 K HN 0.636 nan 8.250 nan 0.000 0.502 722 G N 0.214 108.934 108.800 -0.133 0.000 2.453 722 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.215 722 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.215 722 G C 1.339 176.085 174.900 -0.256 0.000 1.147 722 G CA 0.582 45.539 45.100 -0.238 0.000 0.802 722 G HN 0.201 nan 8.290 nan 0.000 0.535 723 F N 1.265 121.183 119.950 -0.053 0.000 2.293 723 F HA 0.041 4.568 4.527 -0.000 0.000 0.297 723 F C 2.943 178.705 175.800 -0.064 0.000 1.089 723 F CA 0.726 58.687 58.000 -0.065 0.000 1.377 723 F CB 0.163 39.129 39.000 -0.058 0.000 1.051 723 F HN 0.036 nan 8.300 nan 0.000 0.511 724 S N -0.283 115.487 115.700 0.118 0.000 2.440 724 S HA -0.236 4.234 4.470 -0.000 0.000 0.238 724 S C 1.803 176.408 174.600 0.008 0.000 1.010 724 S CA 1.595 59.822 58.200 0.045 0.000 0.972 724 S CB -0.270 62.946 63.200 0.028 0.000 0.774 724 S HN 0.405 nan 8.310 nan 0.000 0.501 725 E N 1.387 121.579 120.200 -0.012 0.000 2.340 725 E HA 0.314 4.664 4.350 -0.000 0.000 0.194 725 E C 0.612 177.188 176.600 -0.041 0.000 0.996 725 E CA 0.312 56.693 56.400 -0.032 0.000 0.869 725 E CB -0.088 29.584 29.700 -0.046 0.000 0.835 725 E HN 0.344 nan 8.360 nan 0.000 0.493 726 A N 1.195 123.991 122.820 -0.041 0.000 2.511 726 A HA 0.042 4.362 4.320 -0.000 0.000 0.242 726 A C 0.523 178.043 177.584 -0.107 0.000 1.069 726 A CA 0.198 52.189 52.037 -0.076 0.000 0.763 726 A CB 0.209 19.180 19.000 -0.048 0.000 1.001 726 A HN 0.246 nan 8.150 nan 0.000 0.498 727 D N 0.963 121.272 120.400 -0.152 0.000 2.117 727 D HA -0.043 4.597 4.640 -0.000 0.000 0.198 727 D C 0.223 176.372 176.300 -0.253 0.000 0.982 727 D CA 1.390 55.294 54.000 -0.160 0.000 0.828 727 D CB 0.069 40.794 40.800 -0.124 0.000 0.967 727 D HN 0.644 nan 8.370 nan 0.000 0.464 728 N N -0.236 118.154 118.700 -0.516 0.000 2.265 728 N HA 0.337 5.076 4.740 -0.000 0.000 0.300 728 N C -1.159 173.980 175.510 -0.617 0.000 1.148 728 N CA -0.454 52.205 53.050 -0.651 0.000 0.772 728 N CB 3.358 41.224 38.487 -1.035 0.000 1.434 728 N HN -0.265 nan 8.380 nan 0.000 0.481 729 V N 1.943 121.693 119.914 -0.274 0.000 2.349 729 V HA 0.229 4.349 4.120 -0.000 0.000 0.284 729 V C -0.022 176.107 176.094 0.058 0.000 1.014 729 V CA -0.722 61.537 62.300 -0.069 0.000 0.826 729 V CB 1.551 33.316 31.823 -0.097 0.000 1.009 729 V HN 0.357 nan 8.190 nan 0.000 0.431 730 V N 5.169 125.268 119.914 0.308 0.000 2.461 730 V HA 0.527 4.647 4.120 -0.000 0.000 0.275 730 V C 0.555 176.751 176.094 0.171 0.000 1.047 730 V CA 0.066 62.539 62.300 0.289 0.000 0.955 730 V CB 1.696 33.770 31.823 0.420 0.000 0.988 730 V HN 0.988 nan 8.190 nan 0.000 0.471 731 S N 3.640 119.348 115.700 0.013 0.000 2.600 731 S HA 1.016 5.486 4.470 -0.000 0.000 0.300 731 S C -0.242 174.115 174.600 -0.405 0.000 1.087 731 S CA -0.029 58.061 58.200 -0.184 0.000 0.965 731 S CB 2.367 65.474 63.200 -0.155 0.000 1.089 731 S HN 1.387 nan 8.310 nan 0.000 0.496 732 G N -0.007 108.305 108.800 -0.813 0.000 2.349 732 G HA2 0.484 4.444 3.960 -0.000 0.000 0.294 732 G HA3 0.484 4.444 3.960 -0.000 0.000 0.294 732 G C -2.156 172.322 174.900 -0.703 0.000 1.380 732 G CA -0.690 43.925 45.100 -0.808 0.000 0.811 732 G HN 0.905 nan 8.290 nan 0.000 0.519 733 E N -1.083 119.001 120.200 -0.193 0.000 2.340 733 E HA 0.687 5.037 4.350 -0.000 0.000 0.273 733 E C -1.980 174.810 176.600 0.317 0.000 0.891 733 E CA -0.776 55.680 56.400 0.093 0.000 0.757 733 E CB 2.626 32.371 29.700 0.074 0.000 1.231 733 E HN 0.502 nan 8.360 nan 0.000 0.439 734 L N 3.605 125.076 121.223 0.413 0.000 2.434 734 L HA 0.538 4.878 4.340 -0.000 0.000 0.260 734 L C -1.998 175.147 176.870 0.458 0.000 0.983 734 L CA -0.627 54.474 54.840 0.435 0.000 0.820 734 L CB 1.853 44.176 42.059 0.440 0.000 1.361 734 L HN 0.653 nan 8.230 nan 0.000 0.410 735 Y N 4.243 124.722 120.300 0.299 0.000 2.485 735 Y HA 0.732 5.282 4.550 -0.000 0.000 0.345 735 Y C -1.248 174.804 175.900 0.253 0.000 0.998 735 Y CA -0.836 57.424 58.100 0.266 0.000 1.059 735 Y CB 1.774 40.354 38.460 0.200 0.000 1.234 735 Y HN 0.615 nan 8.280 nan 0.000 0.461 736 I N 5.102 125.451 120.570 -0.368 0.000 2.447 736 I HA 0.643 4.812 4.170 -0.000 0.000 0.287 736 I C 0.018 175.769 176.117 -0.611 0.000 1.023 736 I CA -0.527 60.560 61.300 -0.356 0.000 1.083 736 I CB 1.111 38.947 38.000 -0.274 0.000 1.245 736 I HN 0.834 nan 8.210 nan 0.000 0.434 737 G N 4.394 113.036 108.800 -0.265 0.000 2.634 737 G HA2 0.442 4.402 3.960 -0.000 0.000 0.255 737 G HA3 0.442 4.402 3.960 -0.000 0.000 0.255 737 G C 0.369 175.218 174.900 -0.085 0.000 1.205 737 G CA 0.016 45.084 45.100 -0.053 0.000 0.884 737 G HN 0.857 nan 8.290 nan 0.000 0.549 738 G N -1.527 107.296 108.800 0.039 0.000 2.486 738 G HA2 0.480 4.440 3.960 -0.000 0.000 0.272 738 G HA3 0.480 4.440 3.960 -0.000 0.000 0.272 738 G C -0.219 174.674 174.900 -0.012 0.000 1.426 738 G CA -0.182 44.934 45.100 0.026 0.000 1.058 738 G HN 0.714 nan 8.290 nan 0.000 0.531 739 Q N -1.524 118.278 119.800 0.003 0.000 2.386 739 Q HA 0.298 4.638 4.340 -0.000 0.000 0.274 739 Q C -2.181 173.928 176.000 0.181 0.000 1.011 739 Q CA -0.677 55.135 55.803 0.014 0.000 0.867 739 Q CB 2.495 30.966 28.738 -0.444 0.000 1.409 739 Q HN 0.556 nan 8.270 nan 0.000 0.395 740 D N -0.117 120.410 120.400 0.213 0.000 2.198 740 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 740 D C 0.455 176.887 176.300 0.220 0.000 1.079 740 D CA -0.006 54.034 54.000 0.067 0.000 0.854 740 D CB 0.939 41.536 40.800 -0.339 0.000 1.148 740 D HN 0.572 nan 8.370 nan 0.000 0.456 741 H N 3.064 122.097 119.070 -0.062 0.000 2.353 741 H HA -0.077 4.479 4.556 -0.000 0.000 0.298 741 H C 0.637 175.805 175.328 -0.267 0.000 1.103 741 H CA 1.296 57.051 56.048 -0.488 0.000 1.293 741 H CB -0.286 29.077 29.762 -0.664 0.000 1.372 741 H HN 0.549 nan 8.280 nan 0.000 0.501 742 F N 0.084 119.788 119.950 -0.409 0.000 3.079 742 F HA -0.291 4.236 4.527 -0.000 0.000 0.274 742 F C -0.583 175.150 175.800 -0.112 0.000 0.940 742 F CA -0.383 57.469 58.000 -0.247 0.000 0.932 742 F CB -1.752 37.256 39.000 0.012 0.000 0.891 742 F HN 0.169 nan 8.300 nan 0.000 0.722 743 Y N -0.748 119.747 120.300 0.326 0.000 2.810 743 Y HA 0.041 4.591 4.550 -0.000 0.000 0.332 743 Y C 1.162 177.139 175.900 0.128 0.000 1.243 743 Y CA -0.894 57.398 58.100 0.319 0.000 1.537 743 Y CB -0.020 38.516 38.460 0.126 0.000 1.265 743 Y HN 0.095 nan 8.280 nan 0.000 0.572 744 L N 1.251 122.668 121.223 0.324 0.000 2.127 744 L HA -0.117 4.222 4.340 -0.000 0.000 0.211 744 L C 1.119 178.042 176.870 0.088 0.000 1.089 744 L CA 1.525 56.475 54.840 0.184 0.000 0.757 744 L CB -0.507 41.640 42.059 0.147 0.000 0.899 744 L HN 0.855 nan 8.230 nan 0.000 0.434 745 E N 0.561 120.803 120.200 0.069 0.000 2.146 745 E HA 0.158 4.508 4.350 -0.000 0.000 0.282 745 E C -0.025 176.562 176.600 -0.022 0.000 0.989 745 E CA -0.277 56.105 56.400 -0.030 0.000 0.799 745 E CB 1.106 30.738 29.700 -0.112 0.000 1.088 745 E HN 0.224 nan 8.360 nan 0.000 0.397 746 T N 1.307 115.860 114.554 -0.002 0.000 2.729 746 T HA 0.140 4.490 4.350 -0.000 0.000 0.298 746 T C 0.621 175.201 174.700 -0.200 0.000 1.013 746 T CA -0.590 61.510 62.100 0.001 0.000 0.957 746 T CB 0.399 69.325 68.868 0.096 0.000 1.130 746 T HN 0.431 nan 8.240 nan 0.000 0.526 747 H N -0.960 118.036 119.070 -0.124 0.000 2.897 747 H HA 0.336 4.891 4.556 -0.000 0.000 0.347 747 H C -0.128 175.180 175.328 -0.034 0.000 1.068 747 H CA 0.169 56.147 56.048 -0.116 0.000 1.426 747 H CB 0.490 30.213 29.762 -0.066 0.000 1.410 747 H HN 0.698 nan 8.280 nan 0.000 0.597 748 C N 3.101 122.448 119.300 0.078 0.000 2.989 748 C HA 0.341 4.801 4.460 -0.000 0.000 0.397 748 C C -0.781 174.254 174.990 0.075 0.000 1.022 748 C CA -0.246 58.815 59.018 0.070 0.000 1.232 748 C CB 0.869 28.635 27.740 0.043 0.000 1.638 748 C HN 0.892 nan 8.230 nan 0.000 0.534 749 T N 6.136 120.742 114.554 0.086 0.000 2.952 749 T HA 0.582 4.932 4.350 -0.000 0.000 0.305 749 T C -0.946 173.813 174.700 0.098 0.000 1.064 749 T CA -0.241 61.914 62.100 0.091 0.000 1.008 749 T CB 1.212 70.124 68.868 0.074 0.000 1.078 749 T HN 0.567 nan 8.240 nan 0.000 0.459 750 I N 2.313 122.969 120.570 0.143 0.000 2.377 750 I HA 0.698 4.868 4.170 -0.000 0.000 0.293 750 I C 0.111 176.339 176.117 0.185 0.000 0.987 750 I CA -0.873 60.523 61.300 0.161 0.000 1.185 750 I CB 1.535 39.654 38.000 0.199 0.000 1.341 750 I HN 0.686 nan 8.210 nan 0.000 0.455 751 A N 7.672 130.567 122.820 0.124 0.000 2.318 751 A HA 0.821 5.141 4.320 -0.000 0.000 0.317 751 A C -0.708 176.936 177.584 0.101 0.000 1.159 751 A CA -0.400 51.691 52.037 0.090 0.000 0.799 751 A CB 0.575 19.609 19.000 0.056 0.000 1.194 751 A HN 0.684 nan 8.150 nan 0.000 0.479 752 I N 4.972 125.600 120.570 0.096 0.000 2.390 752 I HA 0.322 4.491 4.170 -0.000 0.000 0.283 752 I C -2.291 173.833 176.117 0.013 0.000 1.016 752 I CA -2.063 59.280 61.300 0.072 0.000 1.151 752 I CB 2.439 40.540 38.000 0.168 0.000 1.293 752 I HN 0.424 nan 8.210 nan 0.000 0.458 753 P HA 0.177 nan 4.420 nan 0.000 0.287 753 P C -0.372 176.901 177.300 -0.046 0.000 1.281 753 P CA -0.536 62.553 63.100 -0.019 0.000 0.781 753 P CB 1.367 33.052 31.700 -0.026 0.000 0.903 754 K N 2.199 122.580 120.400 -0.032 0.000 2.404 754 K HA 0.147 4.467 4.320 -0.000 0.000 0.194 754 K C 1.569 178.145 176.600 -0.040 0.000 1.023 754 K CA 0.520 56.784 56.287 -0.038 0.000 1.094 754 K CB -0.793 31.694 32.500 -0.023 0.000 0.841 754 K HN 0.820 nan 8.250 nan 0.000 0.523 755 G N 1.570 110.345 108.800 -0.042 0.000 2.189 755 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 755 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 755 G C -0.233 174.648 174.900 -0.030 0.000 0.975 755 G CA 0.352 45.424 45.100 -0.047 0.000 0.644 755 G HN 0.417 nan 8.290 nan 0.000 0.537 756 E N 0.147 120.336 120.200 -0.019 0.000 2.185 756 E HA 0.494 4.844 4.350 -0.000 0.000 0.261 756 E C 0.283 176.881 176.600 -0.004 0.000 0.879 756 E CA -0.736 55.657 56.400 -0.012 0.000 0.756 756 E CB 1.015 30.707 29.700 -0.012 0.000 1.152 756 E HN 0.174 nan 8.360 nan 0.000 0.416 757 E N 1.421 121.622 120.200 0.002 0.000 3.070 757 E HA -0.250 4.100 4.350 -0.000 0.000 0.285 757 E C 0.740 177.347 176.600 0.012 0.000 0.972 757 E CA 1.037 57.440 56.400 0.005 0.000 0.915 757 E CB -1.479 28.220 29.700 -0.002 0.000 1.466 757 E HN 1.129 nan 8.360 nan 0.000 0.432 758 G N 0.348 109.164 108.800 0.027 0.000 2.189 758 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.267 758 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.267 758 G C 0.122 175.034 174.900 0.020 0.000 0.975 758 G CA 0.762 45.886 45.100 0.041 0.000 0.644 758 G HN 0.398 nan 8.290 nan 0.000 0.537 759 E N -0.196 120.007 120.200 0.005 0.000 2.608 759 E HA 0.315 4.665 4.350 -0.000 0.000 0.259 759 E C 0.400 176.997 176.600 -0.005 0.000 0.951 759 E CA 0.681 57.077 56.400 -0.006 0.000 0.945 759 E CB 0.398 30.091 29.700 -0.011 0.000 0.916 759 E HN 0.488 nan 8.360 nan 0.000 0.477 760 M N 2.549 122.140 119.600 -0.015 0.000 2.433 760 M HA 0.215 4.695 4.480 -0.000 0.000 0.290 760 M C -1.420 174.850 176.300 -0.050 0.000 1.173 760 M CA -0.472 54.817 55.300 -0.019 0.000 0.905 760 M CB 2.218 34.815 32.600 -0.005 0.000 1.692 760 M HN 0.389 nan 8.290 nan 0.000 0.462 761 E N 3.805 123.969 120.200 -0.061 0.000 2.165 761 E HA 0.568 4.918 4.350 -0.000 0.000 0.266 761 E C -2.012 174.471 176.600 -0.195 0.000 0.889 761 E CA -0.618 55.693 56.400 -0.148 0.000 0.756 761 E CB 1.298 30.921 29.700 -0.129 0.000 1.131 761 E HN 0.540 nan 8.360 nan 0.000 0.411 762 L N 4.551 125.605 121.223 -0.282 0.000 2.341 762 L HA 0.480 4.820 4.340 -0.000 0.000 0.278 762 L C -0.968 175.653 176.870 -0.416 0.000 1.005 762 L CA -0.459 54.254 54.840 -0.212 0.000 0.818 762 L CB 1.059 43.066 42.059 -0.086 0.000 1.259 762 L HN 0.498 nan 8.230 nan 0.000 0.418 763 F N 3.254 123.212 119.950 0.013 0.000 2.388 763 F HA 0.699 5.225 4.527 -0.000 0.000 0.358 763 F C 0.117 175.918 175.800 0.002 0.000 1.122 763 F CA -0.855 57.148 58.000 0.006 0.000 1.056 763 F CB 1.765 40.772 39.000 0.012 0.000 1.155 763 F HN 0.219 nan 8.300 nan 0.000 0.461 764 V N 1.866 121.849 119.914 0.115 0.000 2.971 764 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 764 V C -0.753 175.355 176.094 0.024 0.000 1.130 764 V CA -0.511 61.826 62.300 0.062 0.000 0.964 764 V CB 2.265 34.106 31.823 0.029 0.000 1.029 764 V HN 0.601 nan 8.190 nan 0.000 0.427 765 S N 4.021 119.718 115.700 -0.004 0.000 3.530 765 S HA 0.519 4.989 4.470 -0.000 0.000 0.279 765 S C -0.135 174.394 174.600 -0.119 0.000 1.280 765 S CA 0.468 58.623 58.200 -0.074 0.000 0.946 765 S CB -0.894 62.231 63.200 -0.125 0.000 1.501 765 S HN 1.207 nan 8.310 nan 0.000 0.498 766 T N 2.802 117.303 114.554 -0.088 0.000 2.894 766 T HA 0.349 4.699 4.350 -0.000 0.000 0.309 766 T C 0.173 174.827 174.700 -0.076 0.000 1.208 766 T CA -0.542 61.510 62.100 -0.079 0.000 1.016 766 T CB 1.638 70.483 68.868 -0.040 0.000 1.192 766 T HN 0.465 nan 8.240 nan 0.000 0.491 767 Q N 1.714 121.476 119.800 -0.063 0.000 2.360 767 Q HA 0.278 4.618 4.340 -0.000 0.000 0.202 767 Q C 0.067 176.060 176.000 -0.012 0.000 0.915 767 Q CA 0.013 55.795 55.803 -0.036 0.000 0.943 767 Q CB 0.302 29.032 28.738 -0.015 0.000 1.064 767 Q HN 0.334 nan 8.270 nan 0.000 0.511 768 N N -0.333 118.348 118.700 -0.032 0.000 2.726 768 N HA 0.249 4.988 4.740 -0.000 0.000 0.253 768 N C -0.198 175.263 175.510 -0.082 0.000 1.530 768 N CA 0.025 53.047 53.050 -0.046 0.000 0.772 768 N CB 0.734 39.187 38.487 -0.056 0.000 1.220 768 N HN 0.094 nan 8.380 nan 0.000 0.508 769 A N 2.100 124.878 122.820 -0.069 0.000 1.917 769 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 769 A C 2.151 179.678 177.584 -0.095 0.000 1.182 769 A CA 1.450 53.439 52.037 -0.079 0.000 0.633 769 A CB -0.355 18.603 19.000 -0.071 0.000 0.819 769 A HN 0.655 nan 8.150 nan 0.000 0.448 770 M N -0.959 118.588 119.600 -0.088 0.000 2.065 770 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 770 M C 1.833 178.029 176.300 -0.173 0.000 1.069 770 M CA 2.046 57.286 55.300 -0.100 0.000 1.110 770 M CB -0.201 32.356 32.600 -0.072 0.000 1.328 770 M HN 0.169 nan 8.290 nan 0.000 0.405 771 K N -0.218 120.028 120.400 -0.256 0.000 2.211 771 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 771 K C 1.866 178.136 176.600 -0.550 0.000 1.050 771 K CA 1.756 57.729 56.287 -0.525 0.000 0.945 771 K CB -0.702 31.383 32.500 -0.692 0.000 0.732 771 K HN 0.481 nan 8.250 nan 0.000 0.451 772 T N 1.762 116.138 114.554 -0.297 0.000 2.652 772 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 772 T C 1.939 176.579 174.700 -0.100 0.000 1.039 772 T CA 1.677 63.678 62.100 -0.166 0.000 1.153 772 T CB -0.152 68.657 68.868 -0.099 0.000 0.863 772 T HN 0.406 nan 8.240 nan 0.000 0.428 773 Q N 0.781 120.520 119.800 -0.101 0.000 2.124 773 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 773 Q C 2.241 178.218 176.000 -0.038 0.000 0.977 773 Q CA 1.598 57.362 55.803 -0.065 0.000 0.850 773 Q CB -0.177 28.518 28.738 -0.071 0.000 0.901 773 Q HN 0.435 nan 8.270 nan 0.000 0.429 774 S N 0.225 115.892 115.700 -0.055 0.000 2.368 774 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 774 S C 1.493 176.198 174.600 0.175 0.000 1.029 774 S CA 0.893 59.108 58.200 0.026 0.000 0.988 774 S CB -0.240 62.962 63.200 0.004 0.000 0.838 774 S HN 0.370 nan 8.310 nan 0.000 0.462 775 F N 1.527 121.441 119.950 -0.061 0.000 2.259 775 F HA 0.059 4.585 4.527 -0.000 0.000 0.298 775 F C 2.364 178.116 175.800 -0.080 0.000 1.088 775 F CA -0.443 57.516 58.000 -0.069 0.000 1.358 775 F CB -1.283 37.679 39.000 -0.063 0.000 1.040 775 F HN 0.004 nan 8.300 nan 0.000 0.505 776 V N 0.074 120.055 119.914 0.111 0.000 2.307 776 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 776 V C 2.674 178.755 176.094 -0.021 0.000 1.045 776 V CA 1.717 64.026 62.300 0.015 0.000 1.024 776 V CB -1.469 30.353 31.823 -0.003 0.000 0.651 776 V HN 0.287 nan 8.190 nan 0.000 0.449 777 A N -0.329 122.486 122.820 -0.009 0.000 1.933 777 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 777 A C 2.350 179.909 177.584 -0.041 0.000 1.175 777 A CA 2.169 54.188 52.037 -0.030 0.000 0.628 777 A CB -0.471 18.517 19.000 -0.020 0.000 0.814 777 A HN 0.523 nan 8.150 nan 0.000 0.444 778 K N -0.704 119.684 120.400 -0.019 0.000 2.097 778 K HA -0.174 4.145 4.320 -0.000 0.000 0.205 778 K C 2.076 178.625 176.600 -0.086 0.000 1.050 778 K CA 1.804 58.065 56.287 -0.045 0.000 0.938 778 K CB -0.220 32.258 32.500 -0.036 0.000 0.718 778 K HN 0.551 nan 8.250 nan 0.000 0.442 779 M N 0.094 119.636 119.600 -0.097 0.000 2.254 779 M HA -0.034 4.445 4.480 -0.000 0.000 0.265 779 M C 1.368 177.561 176.300 -0.178 0.000 1.066 779 M CA 1.644 56.861 55.300 -0.138 0.000 1.123 779 M CB -0.401 32.107 32.600 -0.154 0.000 1.388 779 M HN 0.070 nan 8.290 nan 0.000 0.425 780 L N 0.387 121.495 121.223 -0.192 0.000 2.240 780 L HA 0.275 4.615 4.340 -0.000 0.000 0.211 780 L C 1.182 177.920 176.870 -0.221 0.000 1.106 780 L CA 0.565 55.231 54.840 -0.289 0.000 0.793 780 L CB -0.831 41.082 42.059 -0.243 0.000 0.927 780 L HN 0.721 nan 8.230 nan 0.000 0.446 781 G N 0.903 109.622 108.800 -0.135 0.000 2.401 781 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.283 781 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.283 781 G C -0.562 174.295 174.900 -0.071 0.000 1.117 781 G CA 0.044 45.088 45.100 -0.093 0.000 1.051 781 G HN 0.088 nan 8.290 nan 0.000 0.510 782 V N 0.913 120.790 119.914 -0.061 0.000 2.851 782 V HA 0.634 4.754 4.120 -0.000 0.000 0.307 782 V C -2.145 173.928 176.094 -0.035 0.000 1.129 782 V CA -1.618 60.656 62.300 -0.045 0.000 0.932 782 V CB 2.662 34.455 31.823 -0.050 0.000 1.024 782 V HN 0.236 nan 8.190 nan 0.000 0.426 783 P HA 0.086 nan 4.420 nan 0.000 0.267 783 P C 0.950 178.234 177.300 -0.027 0.000 1.200 783 P CA 0.118 63.203 63.100 -0.026 0.000 0.772 783 P CB 0.638 32.325 31.700 -0.023 0.000 0.855 784 V N 1.814 121.712 119.914 -0.027 0.000 2.568 784 V HA -0.278 3.842 4.120 -0.000 0.000 0.253 784 V C 1.962 178.037 176.094 -0.031 0.000 1.072 784 V CA 2.322 64.605 62.300 -0.029 0.000 1.084 784 V CB -1.446 30.359 31.823 -0.030 0.000 0.676 784 V HN 0.678 nan 8.190 nan 0.000 0.469 785 N N 0.655 119.338 118.700 -0.028 0.000 2.520 785 N HA -0.173 4.566 4.740 -0.000 0.000 0.185 785 N C 1.597 177.092 175.510 -0.025 0.000 1.068 785 N CA 0.894 53.929 53.050 -0.026 0.000 0.911 785 N CB -0.426 38.048 38.487 -0.023 0.000 0.961 785 N HN 0.300 nan 8.380 nan 0.000 0.446 786 R N 0.033 120.518 120.500 -0.025 0.000 2.193 786 R HA 0.168 4.508 4.340 -0.000 0.000 0.213 786 R C 0.097 176.379 176.300 -0.030 0.000 1.055 786 R CA 0.201 56.287 56.100 -0.023 0.000 0.995 786 R CB -0.150 30.139 30.300 -0.019 0.000 0.893 786 R HN 0.294 nan 8.270 nan 0.000 0.459 787 I N 2.039 122.587 120.570 -0.036 0.000 2.321 787 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 787 I C -0.312 175.768 176.117 -0.060 0.000 0.998 787 I CA -1.619 59.653 61.300 -0.046 0.000 1.227 787 I CB 1.170 39.145 38.000 -0.043 0.000 1.368 787 I HN -0.146 nan 8.210 nan 0.000 0.466 788 L N 8.674 129.848 121.223 -0.081 0.000 2.325 788 L HA 0.620 4.960 4.340 -0.000 0.000 0.281 788 L C -0.817 175.962 176.870 -0.151 0.000 1.004 788 L CA -0.386 54.391 54.840 -0.105 0.000 0.823 788 L CB 1.734 43.728 42.059 -0.108 0.000 1.236 788 L HN 0.267 nan 8.230 nan 0.000 0.415 789 V N 5.754 125.584 119.914 -0.141 0.000 2.513 789 V HA 0.658 4.778 4.120 -0.000 0.000 0.299 789 V C -0.120 175.873 176.094 -0.169 0.000 1.035 789 V CA -0.642 61.562 62.300 -0.160 0.000 0.889 789 V CB 1.745 33.503 31.823 -0.109 0.000 0.988 789 V HN 0.737 nan 8.190 nan 0.000 0.440 790 R N 2.897 123.270 120.500 -0.212 0.000 2.532 790 R HA 0.766 5.106 4.340 -0.000 0.000 0.297 790 R C -1.756 174.520 176.300 -0.040 0.000 0.984 790 R CA -0.651 55.357 56.100 -0.153 0.000 0.884 790 R CB 2.517 32.660 30.300 -0.261 0.000 1.182 790 R HN 0.497 nan 8.270 nan 0.000 0.442 791 V N 3.646 123.550 119.914 -0.016 0.000 2.419 791 V HA 0.162 4.282 4.120 -0.000 0.000 0.287 791 V C 0.790 176.891 176.094 0.011 0.000 1.017 791 V CA -0.647 61.656 62.300 0.005 0.000 0.844 791 V CB 1.430 33.235 31.823 -0.029 0.000 1.011 791 V HN 0.785 nan 8.190 nan 0.000 0.429 792 K N 4.322 124.741 120.400 0.031 0.000 2.007 792 K HA 0.113 4.432 4.320 -0.000 0.000 0.206 792 K C 0.787 177.379 176.600 -0.014 0.000 1.047 792 K CA 1.152 57.441 56.287 0.004 0.000 0.937 792 K CB 0.321 32.813 32.500 -0.014 0.000 0.718 792 K HN 0.781 nan 8.250 nan 0.000 0.438 793 R N -0.974 119.496 120.500 -0.050 0.000 2.709 793 R HA 0.290 4.630 4.340 -0.000 0.000 0.270 793 R C -1.598 174.684 176.300 -0.029 0.000 1.038 793 R CA -0.830 55.229 56.100 -0.069 0.000 0.872 793 R CB 0.715 30.921 30.300 -0.157 0.000 1.259 793 R HN -0.076 nan 8.270 nan 0.000 0.473 794 M N 0.912 120.505 119.600 -0.012 0.000 2.508 794 M HA 0.396 4.876 4.480 -0.000 0.000 0.327 794 M C 0.784 177.159 176.300 0.125 0.000 1.160 794 M CA -0.584 54.726 55.300 0.018 0.000 0.980 794 M CB 2.272 34.802 32.600 -0.117 0.000 1.693 794 M HN 0.922 nan 8.290 nan 0.000 0.452 795 G N 1.463 110.356 108.800 0.155 0.000 3.455 795 G HA2 0.493 4.453 3.960 -0.000 0.000 0.250 795 G HA3 0.493 4.453 3.960 -0.000 0.000 0.250 795 G C 0.299 175.196 174.900 -0.004 0.000 1.071 795 G CA 0.225 45.359 45.100 0.057 0.000 1.812 795 G HN 1.089 nan 8.290 nan 0.000 0.643 796 G N -1.667 107.072 108.800 -0.102 0.000 2.674 796 G HA2 0.405 4.365 3.960 -0.000 0.000 0.686 796 G HA3 0.405 4.365 3.960 -0.000 0.000 0.686 796 G C 0.385 175.051 174.900 -0.390 0.000 1.195 796 G CA -0.372 44.550 45.100 -0.297 0.000 0.776 796 G HN 1.078 nan 8.290 nan 0.000 0.654 797 G N -0.749 107.661 108.800 -0.650 0.000 2.508 797 G HA2 0.628 4.588 3.960 -0.000 0.000 0.167 797 G HA3 0.628 4.588 3.960 -0.000 0.000 0.167 797 G C 0.719 175.554 174.900 -0.108 0.000 1.534 797 G CA 0.788 45.668 45.100 -0.367 0.000 0.707 797 G HN 1.764 nan 8.290 nan 0.000 0.717 798 F N 0.094 120.093 119.950 0.080 0.000 2.795 798 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 798 F C 1.024 176.906 175.800 0.136 0.000 0.699 798 F CA 0.172 58.228 58.000 0.093 0.000 1.384 798 F CB -1.379 37.630 39.000 0.015 0.000 1.672 798 F HN 0.531 nan 8.300 nan 0.000 0.345 799 G N 0.087 109.054 108.800 0.278 0.000 2.716 799 G HA2 0.574 4.534 3.960 -0.000 0.000 0.333 799 G HA3 0.574 4.534 3.960 -0.000 0.000 0.333 799 G C 0.678 175.643 174.900 0.109 0.000 1.168 799 G CA 0.251 45.424 45.100 0.122 0.000 1.064 799 G HN 1.081 nan 8.290 nan 0.000 0.479 800 G N 2.666 111.331 108.800 -0.225 0.000 5.426 800 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.297 800 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.297 800 G C 0.903 175.738 174.900 -0.108 0.000 1.422 800 G CA 0.715 45.502 45.100 -0.521 0.000 0.938 800 G HN 0.781 nan 8.290 nan 0.000 0.754 801 K N 0.772 121.120 120.400 -0.087 0.000 2.592 801 K HA 0.362 4.682 4.320 -0.000 0.000 0.203 801 K C 1.200 177.805 176.600 0.009 0.000 1.070 801 K CA 0.494 56.759 56.287 -0.036 0.000 1.062 801 K CB 1.393 33.742 32.500 -0.252 0.000 0.814 801 K HN 0.517 nan 8.250 nan 0.000 0.502 802 E N 0.756 120.991 120.200 0.057 0.000 2.112 802 E HA -0.120 4.229 4.350 -0.000 0.000 0.190 802 E C 1.411 178.058 176.600 0.078 0.000 0.979 802 E CA 1.845 58.296 56.400 0.085 0.000 0.814 802 E CB 0.465 30.258 29.700 0.156 0.000 0.762 802 E HN 0.290 nan 8.360 nan 0.000 0.460 803 T N -2.937 111.682 114.554 0.107 0.000 3.105 803 T HA 0.192 4.542 4.350 -0.000 0.000 0.257 803 T C 1.572 176.335 174.700 0.105 0.000 0.949 803 T CA -0.578 61.581 62.100 0.098 0.000 0.959 803 T CB -0.009 68.954 68.868 0.158 0.000 1.205 803 T HN -0.089 nan 8.240 nan 0.000 0.496 804 R N 2.580 123.143 120.500 0.105 0.000 2.307 804 R HA 0.228 4.568 4.340 -0.000 0.000 0.199 804 R C 2.541 178.791 176.300 -0.084 0.000 1.000 804 R CA 0.956 57.076 56.100 0.034 0.000 1.023 804 R CB -1.010 29.299 30.300 0.016 0.000 0.908 804 R HN 0.732 nan 8.270 nan 0.000 0.473 805 S N 0.366 116.100 115.700 0.057 0.000 2.442 805 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 805 S C 1.926 176.550 174.600 0.041 0.000 1.007 805 S CA 1.592 59.862 58.200 0.117 0.000 0.965 805 S CB -0.570 62.734 63.200 0.172 0.000 0.773 805 S HN 0.447 nan 8.310 nan 0.000 0.504 806 T N 0.709 115.292 114.554 0.050 0.000 2.995 806 T HA 0.178 4.528 4.350 -0.000 0.000 0.269 806 T C 1.758 176.489 174.700 0.051 0.000 1.091 806 T CA 0.577 62.728 62.100 0.086 0.000 1.128 806 T CB -0.756 68.254 68.868 0.236 0.000 0.891 806 T HN 0.393 nan 8.240 nan 0.000 0.492 807 L N 0.636 121.863 121.223 0.007 0.000 2.043 807 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 807 L C 2.800 179.661 176.870 -0.015 0.000 1.075 807 L CA 1.270 56.099 54.840 -0.018 0.000 0.752 807 L CB -0.787 41.250 42.059 -0.036 0.000 0.891 807 L HN 0.250 nan 8.230 nan 0.000 0.432 808 V N -1.500 118.406 119.914 -0.013 0.000 2.500 808 V HA -0.125 3.995 4.120 -0.000 0.000 0.243 808 V C 2.495 178.610 176.094 0.035 0.000 1.039 808 V CA 1.408 63.724 62.300 0.027 0.000 1.053 808 V CB 0.265 32.117 31.823 0.049 0.000 0.695 808 V HN 0.309 nan 8.190 nan 0.000 0.463 809 S N 0.371 116.091 115.700 0.033 0.000 2.368 809 S HA -0.153 4.316 4.470 -0.000 0.000 0.225 809 S C 1.999 176.609 174.600 0.016 0.000 1.030 809 S CA 1.516 59.735 58.200 0.033 0.000 0.999 809 S CB -0.160 63.058 63.200 0.030 0.000 0.844 809 S HN 0.379 nan 8.310 nan 0.000 0.459 810 V N 1.770 121.684 119.914 -0.001 0.000 2.548 810 V HA -0.088 4.032 4.120 -0.000 0.000 0.249 810 V C 2.531 178.576 176.094 -0.083 0.000 1.055 810 V CA 1.410 63.684 62.300 -0.044 0.000 1.065 810 V CB -1.121 30.663 31.823 -0.065 0.000 0.681 810 V HN 0.515 nan 8.190 nan 0.000 0.462 811 A N 0.084 122.865 122.820 -0.065 0.000 1.873 811 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 811 A C 2.368 179.992 177.584 0.067 0.000 1.186 811 A CA 1.919 53.954 52.037 -0.003 0.000 0.616 811 A CB -0.608 18.438 19.000 0.077 0.000 0.823 811 A HN 0.324 nan 8.150 nan 0.000 0.442 812 V N 0.070 120.017 119.914 0.056 0.000 2.343 812 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 812 V C 3.051 179.177 176.094 0.053 0.000 1.051 812 V CA 1.801 64.136 62.300 0.059 0.000 1.036 812 V CB -1.395 30.462 31.823 0.057 0.000 0.654 812 V HN 0.609 nan 8.190 nan 0.000 0.451 813 A N 0.205 123.047 122.820 0.037 0.000 1.873 813 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 813 A C 2.206 179.831 177.584 0.067 0.000 1.193 813 A CA 2.415 54.474 52.037 0.036 0.000 0.629 813 A CB -0.714 18.289 19.000 0.004 0.000 0.826 813 A HN 0.458 nan 8.150 nan 0.000 0.447 814 L N -0.315 120.942 121.223 0.057 0.000 2.042 814 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 814 L C 2.697 179.664 176.870 0.162 0.000 1.076 814 L CA 2.339 57.246 54.840 0.112 0.000 0.749 814 L CB -0.870 41.251 42.059 0.103 0.000 0.893 814 L HN 0.366 nan 8.230 nan 0.000 0.432 815 A N -0.593 122.295 122.820 0.114 0.000 1.933 815 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 815 A C 2.446 180.067 177.584 0.062 0.000 1.175 815 A CA 1.892 53.976 52.037 0.078 0.000 0.628 815 A CB -1.158 17.878 19.000 0.060 0.000 0.814 815 A HN 0.597 nan 8.150 nan 0.000 0.444 816 A N -1.049 121.813 122.820 0.070 0.000 1.845 816 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 816 A C 2.103 179.710 177.584 0.038 0.000 1.195 816 A CA 1.767 53.833 52.037 0.048 0.000 0.616 816 A CB -1.141 17.892 19.000 0.054 0.000 0.832 816 A HN 0.796 nan 8.150 nan 0.000 0.443 817 Y N 0.752 121.034 120.300 -0.029 0.000 2.062 817 Y HA -0.326 4.224 4.550 -0.000 0.000 0.276 817 Y C 2.409 178.282 175.900 -0.045 0.000 1.189 817 Y CA 2.806 60.884 58.100 -0.036 0.000 1.130 817 Y CB -0.183 38.263 38.460 -0.024 0.000 0.959 817 Y HN 0.279 nan 8.280 nan 0.000 0.499 818 K N -0.682 119.659 120.400 -0.098 0.000 2.103 818 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 818 K C 1.974 178.448 176.600 -0.211 0.000 1.052 818 K CA 1.866 58.034 56.287 -0.198 0.000 0.945 818 K CB -0.364 32.146 32.500 0.016 0.000 0.722 818 K HN 0.606 nan 8.250 nan 0.000 0.443 819 T N -3.770 110.697 114.554 -0.144 0.000 3.051 819 T HA 0.146 4.496 4.350 -0.000 0.000 0.255 819 T C 1.364 175.849 174.700 -0.359 0.000 1.085 819 T CA 0.851 62.856 62.100 -0.158 0.000 1.109 819 T CB 0.177 69.045 68.868 0.000 0.000 0.921 819 T HN 0.334 nan 8.240 nan 0.000 0.488 820 G N 1.118 109.732 108.800 -0.310 0.000 2.168 820 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.263 820 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.263 820 G C -0.094 174.571 174.900 -0.391 0.000 0.977 820 G CA 0.554 45.445 45.100 -0.348 0.000 0.659 820 G HN 0.816 nan 8.290 nan 0.000 0.533 821 H N 0.232 119.261 119.070 -0.068 0.000 2.616 821 H HA 0.526 5.082 4.556 -0.000 0.000 0.353 821 H C -2.397 172.894 175.328 -0.062 0.000 1.170 821 H CA -2.281 53.725 56.048 -0.069 0.000 1.212 821 H CB 1.500 31.231 29.762 -0.052 0.000 1.653 821 H HN 0.051 nan 8.280 nan 0.000 0.537 822 P HA -0.018 nan 4.420 nan 0.000 0.265 822 P C -0.942 176.368 177.300 0.017 0.000 1.193 822 P CA 0.227 63.356 63.100 0.050 0.000 0.765 822 P CB 0.557 32.314 31.700 0.095 0.000 0.823 823 V N 4.420 124.332 119.914 -0.003 0.000 2.789 823 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 823 V C 0.251 176.298 176.094 -0.078 0.000 1.073 823 V CA -0.675 61.583 62.300 -0.069 0.000 0.921 823 V CB 2.083 33.900 31.823 -0.011 0.000 1.009 823 V HN 0.574 nan 8.190 nan 0.000 0.426 824 R N 2.050 122.436 120.500 -0.190 0.000 2.888 824 R HA 0.926 5.266 4.340 -0.000 0.000 0.266 824 R C -1.338 174.965 176.300 0.005 0.000 1.020 824 R CA -0.635 55.415 56.100 -0.083 0.000 0.963 824 R CB 1.854 32.094 30.300 -0.100 0.000 1.197 824 R HN 0.675 nan 8.270 nan 0.000 0.481 825 C N 2.494 121.844 119.300 0.083 0.000 2.608 825 C HA 0.629 5.089 4.460 -0.000 0.000 0.325 825 C C -0.943 174.126 174.990 0.132 0.000 1.147 825 C CA -0.644 58.456 59.018 0.138 0.000 1.359 825 C CB 1.397 29.209 27.740 0.120 0.000 1.912 825 C HN 0.989 nan 8.230 nan 0.000 0.466 826 M N 6.968 126.657 119.600 0.148 0.000 2.190 826 M HA 0.525 5.004 4.480 -0.000 0.000 0.312 826 M C -1.071 175.296 176.300 0.111 0.000 0.990 826 M CA -0.525 54.845 55.300 0.117 0.000 0.927 826 M CB 1.052 33.713 32.600 0.102 0.000 1.571 826 M HN 0.699 nan 8.290 nan 0.000 0.427 827 L N 3.750 125.041 121.223 0.113 0.000 2.483 827 L HA 0.090 4.430 4.340 -0.000 0.000 0.276 827 L C 0.446 177.366 176.870 0.082 0.000 1.213 827 L CA 0.017 54.922 54.840 0.107 0.000 0.843 827 L CB 0.025 42.160 42.059 0.128 0.000 1.107 827 L HN 0.653 nan 8.230 nan 0.000 0.487 828 D N 0.931 121.373 120.400 0.071 0.000 2.377 828 D HA 0.044 4.684 4.640 -0.000 0.000 0.245 828 D C 0.985 177.308 176.300 0.038 0.000 1.196 828 D CA -0.302 53.727 54.000 0.049 0.000 0.962 828 D CB 0.987 41.816 40.800 0.048 0.000 1.127 828 D HN 0.345 nan 8.370 nan 0.000 0.471 829 R N 1.084 121.589 120.500 0.008 0.000 2.103 829 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 829 R C 1.724 178.018 176.300 -0.010 0.000 1.142 829 R CA 1.740 57.816 56.100 -0.040 0.000 0.960 829 R CB -0.190 30.068 30.300 -0.070 0.000 0.858 829 R HN 0.501 nan 8.270 nan 0.000 0.439 830 N N 0.258 118.973 118.700 0.024 0.000 2.270 830 N HA -0.167 4.573 4.740 -0.000 0.000 0.181 830 N C 1.065 176.602 175.510 0.046 0.000 1.016 830 N CA 1.651 54.722 53.050 0.036 0.000 0.870 830 N CB -0.320 38.197 38.487 0.050 0.000 0.979 830 N HN 0.441 nan 8.380 nan 0.000 0.431 831 E N 0.357 120.593 120.200 0.060 0.000 2.072 831 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 831 E C 1.354 178.000 176.600 0.076 0.000 0.985 831 E CA 0.960 57.405 56.400 0.076 0.000 0.801 831 E CB -0.118 29.635 29.700 0.088 0.000 0.750 831 E HN 0.401 nan 8.360 nan 0.000 0.452 832 D N 0.729 121.179 120.400 0.083 0.000 2.117 832 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 832 D C 1.990 178.345 176.300 0.091 0.000 0.987 832 D CA 1.061 55.135 54.000 0.123 0.000 0.829 832 D CB 0.091 40.992 40.800 0.168 0.000 0.961 832 D HN 0.162 nan 8.370 nan 0.000 0.460 833 M N -0.182 119.433 119.600 0.025 0.000 2.175 833 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 833 M C 2.338 178.650 176.300 0.021 0.000 1.063 833 M CA 0.735 56.027 55.300 -0.013 0.000 1.119 833 M CB -0.071 32.484 32.600 -0.075 0.000 1.377 833 M HN 0.056 nan 8.290 nan 0.000 0.415 834 L N 0.423 121.668 121.223 0.038 0.000 2.068 834 L HA -0.025 4.315 4.340 -0.000 0.000 0.204 834 L C 2.015 178.933 176.870 0.080 0.000 1.076 834 L CA 1.625 56.499 54.840 0.056 0.000 0.753 834 L CB -0.168 41.925 42.059 0.056 0.000 0.910 834 L HN 0.164 nan 8.230 nan 0.000 0.439 835 I N -0.919 119.699 120.570 0.078 0.000 2.400 835 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 835 I C 2.033 178.188 176.117 0.064 0.000 1.109 835 I CA 1.421 62.767 61.300 0.078 0.000 1.425 835 I CB -0.518 37.524 38.000 0.071 0.000 1.094 835 I HN 0.417 nan 8.210 nan 0.000 0.425 836 T N -1.596 112.998 114.554 0.068 0.000 3.081 836 T HA 0.416 4.766 4.350 -0.000 0.000 0.250 836 T C 0.928 175.695 174.700 0.112 0.000 1.100 836 T CA 0.274 62.397 62.100 0.038 0.000 1.038 836 T CB 0.031 68.892 68.868 -0.011 0.000 0.962 836 T HN 0.527 nan 8.240 nan 0.000 0.516 837 G N -0.792 108.093 108.800 0.141 0.000 2.699 837 G HA2 0.384 4.344 3.960 -0.000 0.000 0.686 837 G HA3 0.384 4.344 3.960 -0.000 0.000 0.686 837 G C -0.162 174.902 174.900 0.273 0.000 1.301 837 G CA -0.572 44.628 45.100 0.168 0.000 0.816 837 G HN 1.059 nan 8.290 nan 0.000 0.595 838 G N -0.669 108.271 108.800 0.234 0.000 3.166 838 G HA2 0.816 4.776 3.960 -0.000 0.000 0.267 838 G HA3 0.816 4.776 3.960 -0.000 0.000 0.267 838 G C 0.050 175.093 174.900 0.238 0.000 1.256 838 G CA 0.012 45.266 45.100 0.258 0.000 0.859 838 G HN 1.012 nan 8.290 nan 0.000 0.590 839 R N 0.058 120.702 120.500 0.241 0.000 2.679 839 R HA 0.098 4.438 4.340 -0.000 0.000 0.268 839 R C -0.290 176.081 176.300 0.117 0.000 1.044 839 R CA -0.248 55.975 56.100 0.205 0.000 1.105 839 R CB 0.009 30.283 30.300 -0.042 0.000 0.989 839 R HN 0.572 nan 8.270 nan 0.000 0.447 840 H N 4.842 123.998 119.070 0.143 0.000 2.975 840 H HA 0.078 4.634 4.556 -0.000 0.000 0.303 840 H C -1.929 173.507 175.328 0.179 0.000 1.023 840 H CA -1.339 54.812 56.048 0.171 0.000 1.473 840 H CB 0.756 30.667 29.762 0.249 0.000 1.498 840 H HN 0.445 nan 8.280 nan 0.000 0.549 841 P HA 0.049 nan 4.420 nan 0.000 0.271 841 P C -0.698 176.685 177.300 0.139 0.000 1.216 841 P CA 0.418 63.555 63.100 0.062 0.000 0.771 841 P CB 0.327 32.067 31.700 0.065 0.000 0.864 842 F N 2.440 122.302 119.950 -0.146 0.000 2.507 842 F HA 0.452 4.978 4.527 -0.000 0.000 0.325 842 F C -0.188 175.634 175.800 0.038 0.000 1.116 842 F CA -0.970 57.046 58.000 0.025 0.000 0.930 842 F CB 1.566 40.610 39.000 0.073 0.000 1.146 842 F HN 0.090 nan 8.300 nan 0.000 0.447 843 L N 3.856 125.276 121.223 0.329 0.000 2.307 843 L HA 0.847 5.187 4.340 -0.000 0.000 0.284 843 L C -0.765 176.379 176.870 0.457 0.000 1.023 843 L CA -0.264 54.831 54.840 0.423 0.000 0.810 843 L CB 1.302 43.587 42.059 0.377 0.000 1.231 843 L HN 0.632 nan 8.230 nan 0.000 0.423 844 A N 5.248 128.322 122.820 0.422 0.000 2.365 844 A HA 0.835 5.155 4.320 -0.000 0.000 0.318 844 A C -0.760 177.028 177.584 0.340 0.000 1.091 844 A CA -0.731 51.518 52.037 0.353 0.000 0.763 844 A CB 1.023 20.201 19.000 0.295 0.000 1.248 844 A HN 0.719 nan 8.150 nan 0.000 0.442 845 R N 1.451 122.108 120.500 0.262 0.000 2.337 845 R HA 0.501 4.841 4.340 -0.000 0.000 0.319 845 R C -1.461 174.929 176.300 0.149 0.000 0.954 845 R CA -0.301 55.896 56.100 0.162 0.000 0.840 845 R CB 1.158 31.540 30.300 0.137 0.000 1.164 845 R HN 0.790 nan 8.270 nan 0.000 0.472 846 Y N -0.485 119.846 120.300 0.051 0.000 2.549 846 Y HA 0.636 5.186 4.550 -0.000 0.000 0.339 846 Y C -0.607 175.286 175.900 -0.013 0.000 1.053 846 Y CA -1.326 56.779 58.100 0.008 0.000 1.105 846 Y CB 1.730 40.219 38.460 0.049 0.000 1.258 846 Y HN 0.214 nan 8.280 nan 0.000 0.478 847 K N 2.810 123.279 120.400 0.116 0.000 2.668 847 K HA 0.541 4.861 4.320 -0.000 0.000 0.246 847 K C -2.219 174.463 176.600 0.137 0.000 0.976 847 K CA -0.585 55.732 56.287 0.050 0.000 0.902 847 K CB 1.675 34.115 32.500 -0.100 0.000 1.172 847 K HN 0.754 nan 8.250 nan 0.000 0.452 848 V N 2.127 122.124 119.914 0.138 0.000 2.427 848 V HA 0.560 4.679 4.120 -0.000 0.000 0.286 848 V C 0.662 176.966 176.094 0.350 0.000 1.034 848 V CA -0.885 61.452 62.300 0.063 0.000 0.893 848 V CB 1.453 33.177 31.823 -0.165 0.000 0.982 848 V HN 0.808 nan 8.190 nan 0.000 0.452 849 G N 3.851 112.842 108.800 0.318 0.000 2.343 849 G HA2 0.749 4.708 3.960 -0.000 0.000 0.319 849 G HA3 0.749 4.708 3.960 -0.000 0.000 0.319 849 G C -0.982 174.012 174.900 0.157 0.000 1.126 849 G CA -0.364 44.857 45.100 0.202 0.000 0.889 849 G HN 0.741 nan 8.290 nan 0.000 0.457 850 F N 0.467 120.411 119.950 -0.010 0.000 2.824 850 F HA 0.792 5.319 4.527 -0.000 0.000 0.330 850 F C -0.476 175.316 175.800 -0.014 0.000 1.175 850 F CA -1.775 56.207 58.000 -0.031 0.000 0.974 850 F CB 1.303 40.294 39.000 -0.016 0.000 1.430 850 F HN 0.233 nan 8.300 nan 0.000 0.507 851 M N 0.865 120.579 119.600 0.190 0.000 2.811 851 M HA 0.416 4.896 4.480 -0.000 0.000 0.303 851 M C 0.655 177.057 176.300 0.170 0.000 1.227 851 M CA -0.757 54.592 55.300 0.081 0.000 0.874 851 M CB 1.685 34.316 32.600 0.051 0.000 1.681 851 M HN 0.739 nan 8.290 nan 0.000 0.500 852 K N 0.155 120.610 120.400 0.092 0.000 2.288 852 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 852 K C 1.585 178.252 176.600 0.111 0.000 1.048 852 K CA 1.630 57.982 56.287 0.109 0.000 0.956 852 K CB -0.229 32.305 32.500 0.058 0.000 0.746 852 K HN 0.860 nan 8.250 nan 0.000 0.461 853 T N -2.205 112.402 114.554 0.089 0.000 2.962 853 T HA -0.011 4.339 4.350 -0.000 0.000 0.270 853 T C 1.553 176.299 174.700 0.077 0.000 1.088 853 T CA 1.108 63.252 62.100 0.073 0.000 1.127 853 T CB -0.073 68.826 68.868 0.052 0.000 0.883 853 T HN 0.375 nan 8.240 nan 0.000 0.493 854 G N 0.443 109.314 108.800 0.119 0.000 2.179 854 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.220 854 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.220 854 G C 0.178 175.101 174.900 0.039 0.000 0.990 854 G CA -0.060 45.083 45.100 0.072 0.000 0.646 854 G HN 0.666 nan 8.290 nan 0.000 0.517 855 T N 1.919 116.508 114.554 0.060 0.000 2.799 855 T HA 0.493 4.843 4.350 -0.000 0.000 0.296 855 T C 0.713 175.439 174.700 0.043 0.000 0.947 855 T CA 0.099 62.207 62.100 0.014 0.000 1.141 855 T CB 1.079 69.946 68.868 -0.002 0.000 0.891 855 T HN 0.264 nan 8.240 nan 0.000 0.533 856 I N 4.129 124.695 120.570 -0.006 0.000 2.556 856 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 856 I C 1.170 177.247 176.117 -0.067 0.000 1.114 856 I CA 0.491 61.783 61.300 -0.014 0.000 1.418 856 I CB 1.085 39.049 38.000 -0.060 0.000 1.394 856 I HN 0.461 nan 8.210 nan 0.000 0.552 857 V N 4.881 124.739 119.914 -0.093 0.000 3.484 857 V HA 0.513 4.633 4.120 -0.000 0.000 0.252 857 V C 0.453 176.384 176.094 -0.272 0.000 1.282 857 V CA 0.601 62.811 62.300 -0.150 0.000 1.104 857 V CB 0.249 31.998 31.823 -0.123 0.000 0.868 857 V HN 0.816 nan 8.190 nan 0.000 0.457 858 A N 0.596 123.192 122.820 -0.373 0.000 2.547 858 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 858 A C -2.022 175.261 177.584 -0.501 0.000 1.056 858 A CA -0.324 51.315 52.037 -0.664 0.000 0.688 858 A CB 2.265 20.352 19.000 -1.522 0.000 1.282 858 A HN 0.196 nan 8.150 nan 0.000 0.400 859 L N 0.814 121.812 121.223 -0.375 0.000 2.543 859 L HA 0.698 5.038 4.340 -0.000 0.000 0.265 859 L C -0.870 175.963 176.870 -0.061 0.000 0.945 859 L CA 0.081 54.772 54.840 -0.247 0.000 0.869 859 L CB 1.972 43.788 42.059 -0.406 0.000 1.294 859 L HN 0.834 nan 8.230 nan 0.000 0.405 860 E N 3.995 124.234 120.200 0.064 0.000 2.218 860 E HA 0.719 5.069 4.350 -0.000 0.000 0.263 860 E C -1.942 174.689 176.600 0.052 0.000 0.879 860 E CA -0.650 55.807 56.400 0.096 0.000 0.762 860 E CB 1.876 31.689 29.700 0.188 0.000 1.166 860 E HN 0.485 nan 8.360 nan 0.000 0.415 861 V N 4.379 124.314 119.914 0.034 0.000 2.525 861 V HA 0.296 4.416 4.120 -0.000 0.000 0.299 861 V C -0.953 175.078 176.094 -0.105 0.000 1.034 861 V CA -1.024 61.252 62.300 -0.040 0.000 0.863 861 V CB 1.892 33.641 31.823 -0.123 0.000 0.999 861 V HN 0.696 nan 8.190 nan 0.000 0.423 862 D N 3.146 123.499 120.400 -0.078 0.000 2.329 862 D HA 0.432 5.072 4.640 -0.000 0.000 0.232 862 D C -0.473 175.742 176.300 -0.142 0.000 1.088 862 D CA -0.227 53.718 54.000 -0.091 0.000 0.835 862 D CB 1.267 42.079 40.800 0.020 0.000 1.078 862 D HN 0.600 nan 8.370 nan 0.000 0.495 863 H N 1.000 119.999 119.070 -0.118 0.000 2.479 863 H HA 0.425 4.981 4.556 -0.000 0.000 0.335 863 H C -0.789 174.302 175.328 -0.396 0.000 1.142 863 H CA -0.364 55.685 56.048 0.002 0.000 1.234 863 H CB 1.016 30.898 29.762 0.199 0.000 1.503 863 H HN 0.315 nan 8.280 nan 0.000 0.510 864 Y N 0.331 120.648 120.300 0.028 0.000 2.386 864 Y HA 0.326 4.876 4.550 -0.000 0.000 0.334 864 Y C -0.385 175.266 175.900 -0.416 0.000 1.002 864 Y CA -0.929 57.107 58.100 -0.106 0.000 1.068 864 Y CB 1.977 40.466 38.460 0.047 0.000 1.203 864 Y HN 0.669 nan 8.280 nan 0.000 0.443 865 S N 1.789 117.277 115.700 -0.354 0.000 2.509 865 S HA 0.377 4.847 4.470 -0.000 0.000 0.297 865 S C -0.585 174.009 174.600 -0.011 0.000 1.118 865 S CA -0.954 56.986 58.200 -0.433 0.000 1.074 865 S CB 1.418 64.351 63.200 -0.445 0.000 1.038 865 S HN 0.641 nan 8.310 nan 0.000 0.498 866 N N 1.799 120.534 118.700 0.058 0.000 2.555 866 N HA 0.302 5.042 4.740 -0.000 0.000 0.244 866 N C 0.932 176.499 175.510 0.096 0.000 1.114 866 N CA -0.117 52.979 53.050 0.076 0.000 0.963 866 N CB 0.842 39.358 38.487 0.049 0.000 1.276 866 N HN 0.802 nan 8.380 nan 0.000 0.510 867 A N 2.244 125.178 122.820 0.190 0.000 2.014 867 A HA 0.292 4.612 4.320 -0.000 0.000 0.218 867 A C 1.229 178.924 177.584 0.184 0.000 1.163 867 A CA 1.082 53.297 52.037 0.296 0.000 0.652 867 A CB -0.682 18.619 19.000 0.501 0.000 0.808 867 A HN 0.816 nan 8.150 nan 0.000 0.449 868 G N 0.198 109.070 108.800 0.120 0.000 2.632 868 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.224 868 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.224 868 G C 0.148 175.142 174.900 0.157 0.000 1.341 868 G CA 0.232 45.371 45.100 0.064 0.000 0.880 868 G HN 1.078 nan 8.290 nan 0.000 0.566 869 N N 0.189 118.927 118.700 0.063 0.000 2.370 869 N HA 0.277 5.016 4.740 -0.000 0.000 0.198 869 N C 0.589 176.143 175.510 0.074 0.000 1.156 869 N CA 1.163 54.245 53.050 0.055 0.000 0.839 869 N CB -0.018 38.397 38.487 -0.120 0.000 0.989 869 N HN 1.688 nan 8.380 nan 0.000 0.468 870 S N -1.680 114.033 115.700 0.023 0.000 2.596 870 S HA 0.493 4.963 4.470 -0.000 0.000 0.270 870 S C 0.546 174.857 174.600 -0.483 0.000 1.155 870 S CA -0.969 57.120 58.200 -0.186 0.000 0.827 870 S CB 2.238 65.395 63.200 -0.071 0.000 1.130 870 S HN -0.020 nan 8.310 nan 0.000 0.467 871 R N 0.868 120.932 120.500 -0.727 0.000 2.082 871 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 871 R C 0.988 177.259 176.300 -0.049 0.000 1.136 871 R CA 1.986 57.768 56.100 -0.530 0.000 0.935 871 R CB -0.826 29.225 30.300 -0.416 0.000 0.842 871 R HN 0.922 nan 8.270 nan 0.000 0.430 872 D N -1.347 119.131 120.400 0.130 0.000 3.574 872 D HA -0.292 4.348 4.640 -0.000 0.000 0.153 872 D C 0.374 176.885 176.300 0.351 0.000 0.965 872 D CA 2.195 56.346 54.000 0.251 0.000 1.047 872 D CB -0.885 40.034 40.800 0.198 0.000 0.492 872 D HN 0.118 nan 8.370 nan 0.000 0.492 873 L N 0.229 121.641 121.223 0.314 0.000 2.611 873 L HA 0.210 4.549 4.340 -0.000 0.000 0.229 873 L C 2.098 179.059 176.870 0.153 0.000 1.137 873 L CA 0.279 55.318 54.840 0.332 0.000 0.901 873 L CB -0.047 42.268 42.059 0.426 0.000 1.098 873 L HN 0.179 nan 8.230 nan 0.000 0.456 874 S N -0.468 115.303 115.700 0.120 0.000 2.387 874 S HA -0.297 4.173 4.470 -0.000 0.000 0.230 874 S C 1.862 176.405 174.600 -0.095 0.000 1.035 874 S CA 1.834 60.009 58.200 -0.041 0.000 1.014 874 S CB -0.266 63.017 63.200 0.139 0.000 0.836 874 S HN 0.609 nan 8.310 nan 0.000 0.466 875 H N 1.066 120.087 119.070 -0.083 0.000 2.326 875 H HA 0.025 4.581 4.556 -0.000 0.000 0.301 875 H C 2.193 177.480 175.328 -0.068 0.000 1.081 875 H CA 1.772 57.758 56.048 -0.102 0.000 1.334 875 H CB -0.205 29.473 29.762 -0.140 0.000 1.385 875 H HN 0.251 nan 8.280 nan 0.000 0.504 876 S N 0.277 116.084 115.700 0.177 0.000 2.368 876 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 876 S C 2.223 176.850 174.600 0.045 0.000 1.030 876 S CA 1.402 59.750 58.200 0.246 0.000 0.999 876 S CB -0.289 63.242 63.200 0.551 0.000 0.844 876 S HN 0.397 nan 8.310 nan 0.000 0.459 877 I N 0.900 121.215 120.570 -0.426 0.000 2.194 877 I HA -0.263 3.906 4.170 -0.000 0.000 0.246 877 I C 2.478 178.429 176.117 -0.276 0.000 1.093 877 I CA 1.425 62.288 61.300 -0.729 0.000 1.355 877 I CB -0.255 37.222 38.000 -0.870 0.000 1.046 877 I HN 0.304 nan 8.210 nan 0.000 0.413 878 M N 0.493 119.957 119.600 -0.226 0.000 2.288 878 M HA -0.097 4.382 4.480 -0.000 0.000 0.266 878 M C 1.974 178.135 176.300 -0.232 0.000 1.072 878 M CA 1.650 56.851 55.300 -0.165 0.000 1.132 878 M CB -0.310 32.146 32.600 -0.240 0.000 1.386 878 M HN 0.070 nan 8.290 nan 0.000 0.432 879 E N -0.269 119.770 120.200 -0.268 0.000 2.038 879 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 879 E C 2.176 178.643 176.600 -0.222 0.000 1.000 879 E CA 1.566 57.814 56.400 -0.254 0.000 0.803 879 E CB -0.326 29.359 29.700 -0.025 0.000 0.750 879 E HN 0.517 nan 8.360 nan 0.000 0.448 880 R N 0.698 121.259 120.500 0.102 0.000 2.091 880 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 880 R C 2.291 178.671 176.300 0.134 0.000 1.136 880 R CA 1.354 57.624 56.100 0.284 0.000 0.959 880 R CB -0.252 30.225 30.300 0.294 0.000 0.856 880 R HN 0.151 nan 8.270 nan 0.000 0.437 881 A N 1.249 124.037 122.820 -0.054 0.000 1.873 881 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 881 A C 2.212 179.735 177.584 -0.101 0.000 1.193 881 A CA 1.732 53.676 52.037 -0.155 0.000 0.629 881 A CB -0.794 18.059 19.000 -0.245 0.000 0.826 881 A HN 0.380 nan 8.150 nan 0.000 0.447 882 L N -2.022 119.107 121.223 -0.156 0.000 2.083 882 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 882 L C 2.392 179.337 176.870 0.125 0.000 1.083 882 L CA 1.233 56.028 54.840 -0.076 0.000 0.752 882 L CB -0.613 41.375 42.059 -0.118 0.000 0.899 882 L HN 0.439 nan 8.230 nan 0.000 0.433 883 F N -1.287 118.724 119.950 0.100 0.000 2.641 883 F HA -0.123 4.403 4.527 -0.000 0.000 0.298 883 F C 1.979 177.850 175.800 0.118 0.000 1.146 883 F CA 0.545 58.480 58.000 -0.109 0.000 1.464 883 F CB -0.065 38.756 39.000 -0.298 0.000 1.101 883 F HN 0.220 nan 8.300 nan 0.000 0.585 884 H N -0.443 118.817 119.070 0.317 0.000 2.785 884 H HA 0.160 4.716 4.556 -0.000 0.000 0.268 884 H C 1.894 177.286 175.328 0.106 0.000 1.153 884 H CA 0.210 56.375 56.048 0.194 0.000 1.111 884 H CB 0.144 29.913 29.762 0.012 0.000 1.633 884 H HN 0.403 nan 8.280 nan 0.000 0.576 885 M N 0.332 120.050 119.600 0.195 0.000 2.460 885 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 885 M C 1.325 177.682 176.300 0.094 0.000 1.071 885 M CA 1.481 56.870 55.300 0.149 0.000 1.096 885 M CB -0.143 32.581 32.600 0.207 0.000 1.408 885 M HN -0.087 nan 8.290 nan 0.000 0.463 886 D N -0.185 120.189 120.400 -0.042 0.000 2.312 886 D HA -0.128 4.512 4.640 -0.000 0.000 0.211 886 D C 0.898 177.223 176.300 0.041 0.000 0.964 886 D CA 0.628 54.644 54.000 0.027 0.000 0.877 886 D CB -0.634 40.216 40.800 0.084 0.000 0.924 886 D HN 0.518 nan 8.370 nan 0.000 0.515 887 N N 0.241 118.938 118.700 -0.005 0.000 1.075 887 N HA -0.303 4.436 4.740 -0.000 0.000 0.133 887 N C -0.093 175.326 175.510 -0.152 0.000 0.564 887 N CA 2.531 55.503 53.050 -0.130 0.000 0.891 887 N CB -1.198 37.128 38.487 -0.268 0.000 1.364 887 N HN 0.370 nan 8.380 nan 0.000 0.547 888 C N 0.255 119.205 119.300 -0.584 0.000 2.353 888 C HA 0.386 4.845 4.460 -0.000 0.000 0.338 888 C C -0.583 173.988 174.990 -0.699 0.000 1.343 888 C CA -0.438 58.372 59.018 -0.348 0.000 1.760 888 C CB -2.354 25.233 27.740 -0.254 0.000 2.111 888 C HN 0.309 nan 8.230 nan 0.000 0.576 889 Y N 0.010 120.056 120.300 -0.424 0.000 2.376 889 Y HA 0.386 4.936 4.550 -0.000 0.000 0.340 889 Y C 0.406 175.705 175.900 -1.001 0.000 0.965 889 Y CA -1.015 56.708 58.100 -0.627 0.000 1.078 889 Y CB 0.898 39.195 38.460 -0.271 0.000 1.193 889 Y HN -0.160 nan 8.280 nan 0.000 0.452 890 K N 4.612 124.551 120.400 -0.767 0.000 2.312 890 K HA 0.398 4.718 4.320 -0.000 0.000 0.287 890 K C -1.186 175.257 176.600 -0.262 0.000 1.062 890 K CA -0.011 55.921 56.287 -0.591 0.000 0.934 890 K CB 0.187 32.451 32.500 -0.392 0.000 1.027 890 K HN 0.754 nan 8.250 nan 0.000 0.478 891 I N 7.968 128.434 120.570 -0.174 0.000 2.521 891 I HA 0.177 4.346 4.170 -0.000 0.000 0.277 891 I C -1.391 174.670 176.117 -0.093 0.000 1.054 891 I CA -1.761 59.468 61.300 -0.117 0.000 1.117 891 I CB 1.922 39.866 38.000 -0.094 0.000 1.217 891 I HN 0.370 nan 8.210 nan 0.000 0.469 892 P HA -0.102 nan 4.420 nan 0.000 0.216 892 P C -0.224 177.031 177.300 -0.075 0.000 1.150 892 P CA 1.365 64.418 63.100 -0.079 0.000 0.837 892 P CB 0.183 31.832 31.700 -0.086 0.000 0.786 893 N N 0.211 118.840 118.700 -0.118 0.000 2.399 893 N HA 0.473 5.213 4.740 -0.000 0.000 0.280 893 N C -0.768 174.655 175.510 -0.145 0.000 1.008 893 N CA -0.357 52.615 53.050 -0.130 0.000 0.894 893 N CB 2.432 40.802 38.487 -0.195 0.000 1.273 893 N HN 0.053 nan 8.380 nan 0.000 0.486 894 I N 1.009 121.540 120.570 -0.065 0.000 2.722 894 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 894 I C -1.462 174.677 176.117 0.037 0.000 1.267 894 I CA -0.644 60.638 61.300 -0.030 0.000 1.036 894 I CB 2.418 40.419 38.000 0.002 0.000 1.281 894 I HN 0.384 nan 8.210 nan 0.000 0.423 895 R N 5.325 125.856 120.500 0.052 0.000 2.514 895 R HA 0.691 5.031 4.340 -0.000 0.000 0.296 895 R C -1.440 174.926 176.300 0.110 0.000 1.012 895 R CA -0.554 55.601 56.100 0.091 0.000 0.897 895 R CB 1.944 32.294 30.300 0.084 0.000 1.184 895 R HN 0.767 nan 8.270 nan 0.000 0.440 896 G N 1.901 110.794 108.800 0.155 0.000 2.530 896 G HA2 0.473 4.433 3.960 -0.000 0.000 0.316 896 G HA3 0.473 4.433 3.960 -0.000 0.000 0.316 896 G C -0.702 174.305 174.900 0.178 0.000 1.298 896 G CA -0.449 44.776 45.100 0.208 0.000 0.948 896 G HN 0.578 nan 8.290 nan 0.000 0.486 897 T N -0.824 113.828 114.554 0.164 0.000 2.924 897 T HA 0.842 5.192 4.350 -0.000 0.000 0.291 897 T C 0.029 174.770 174.700 0.069 0.000 1.045 897 T CA -0.572 61.565 62.100 0.060 0.000 1.015 897 T CB 2.325 71.175 68.868 -0.030 0.000 1.103 897 T HN 1.142 nan 8.240 nan 0.000 0.496 898 G N 0.779 109.524 108.800 -0.091 0.000 2.638 898 G HA2 0.637 4.597 3.960 -0.000 0.000 0.302 898 G HA3 0.637 4.597 3.960 -0.000 0.000 0.302 898 G C -1.533 173.188 174.900 -0.299 0.000 1.365 898 G CA -0.917 44.079 45.100 -0.174 0.000 0.987 898 G HN 0.703 nan 8.290 nan 0.000 0.495 899 R N 0.575 120.851 120.500 -0.374 0.000 2.686 899 R HA 0.610 4.949 4.340 -0.000 0.000 0.283 899 R C -0.904 175.348 176.300 -0.081 0.000 0.978 899 R CA -0.889 55.022 56.100 -0.315 0.000 0.897 899 R CB 1.654 31.648 30.300 -0.511 0.000 1.192 899 R HN 0.422 nan 8.270 nan 0.000 0.457 900 L N 3.240 124.494 121.223 0.053 0.000 2.280 900 L HA 0.498 4.838 4.340 -0.000 0.000 0.287 900 L C -0.534 176.500 176.870 0.273 0.000 1.023 900 L CA -0.897 54.038 54.840 0.158 0.000 0.819 900 L CB 1.629 43.818 42.059 0.217 0.000 1.212 900 L HN 0.531 nan 8.230 nan 0.000 0.420 901 C N 3.125 122.547 119.300 0.202 0.000 2.325 901 C HA 0.186 4.646 4.460 -0.000 0.000 0.347 901 C C 0.746 175.629 174.990 -0.179 0.000 1.263 901 C CA -0.900 58.145 59.018 0.045 0.000 1.806 901 C CB 0.367 28.138 27.740 0.052 0.000 2.405 901 C HN 0.666 nan 8.230 nan 0.000 0.537 902 K N 3.484 123.578 120.400 -0.510 0.000 2.338 902 K HA 0.356 4.675 4.320 -0.000 0.000 0.290 902 K C 0.272 176.673 176.600 -0.332 0.000 1.069 902 K CA 0.373 56.220 56.287 -0.732 0.000 0.941 902 K CB 0.284 32.183 32.500 -1.001 0.000 1.023 902 K HN 0.920 nan 8.250 nan 0.000 0.477 903 T N 0.327 114.776 114.554 -0.174 0.000 2.883 903 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 903 T C -0.116 174.511 174.700 -0.122 0.000 1.117 903 T CA -1.117 60.897 62.100 -0.144 0.000 1.006 903 T CB 1.138 69.936 68.868 -0.116 0.000 1.191 903 T HN 0.409 nan 8.240 nan 0.000 0.508 904 N N 1.443 120.060 118.700 -0.139 0.000 3.250 904 N HA 0.370 5.109 4.740 -0.000 0.000 0.307 904 N C -0.961 174.487 175.510 -0.103 0.000 1.355 904 N CA 0.003 52.971 53.050 -0.137 0.000 1.192 904 N CB -0.441 37.965 38.487 -0.134 0.000 1.478 904 N HN 0.506 nan 8.380 nan 0.000 0.543 905 L N -0.471 120.694 121.223 -0.096 0.000 2.376 905 L HA 0.322 4.662 4.340 -0.000 0.000 0.258 905 L C 0.410 177.254 176.870 -0.044 0.000 1.013 905 L CA -0.796 53.994 54.840 -0.083 0.000 0.822 905 L CB 1.920 43.887 42.059 -0.153 0.000 1.388 905 L HN -0.063 nan 8.230 nan 0.000 0.413 906 S N 0.678 116.379 115.700 0.002 0.000 2.573 906 S HA -0.040 4.429 4.470 -0.000 0.000 0.297 906 S C 0.205 174.813 174.600 0.013 0.000 1.280 906 S CA 0.036 58.249 58.200 0.022 0.000 1.061 906 S CB 0.527 63.770 63.200 0.071 0.000 0.812 906 S HN 0.541 nan 8.310 nan 0.000 0.500 907 S N 3.690 119.400 115.700 0.017 0.000 2.498 907 S HA 0.092 4.562 4.470 -0.000 0.000 0.281 907 S C 0.212 174.834 174.600 0.035 0.000 1.265 907 S CA -0.690 57.527 58.200 0.029 0.000 1.071 907 S CB -0.237 62.985 63.200 0.036 0.000 0.894 907 S HN 0.628 nan 8.310 nan 0.000 0.491 908 N N 2.925 121.601 118.700 -0.040 0.000 2.483 908 N HA 0.418 5.158 4.740 -0.000 0.000 0.269 908 N C 0.150 175.709 175.510 0.082 0.000 1.209 908 N CA -0.107 52.861 53.050 -0.137 0.000 0.969 908 N CB 1.551 39.638 38.487 -0.667 0.000 1.173 908 N HN 0.660 nan 8.380 nan 0.000 0.475 909 T N -1.243 113.454 114.554 0.238 0.000 2.647 909 T HA 0.600 4.950 4.350 -0.000 0.000 0.295 909 T C -1.229 173.767 174.700 0.493 0.000 1.126 909 T CA -0.562 61.775 62.100 0.395 0.000 1.040 909 T CB 0.574 69.633 68.868 0.319 0.000 1.472 909 T HN 0.492 nan 8.240 nan 0.000 0.500 910 A N 1.292 124.422 122.820 0.516 0.000 2.546 910 A HA 0.500 4.820 4.320 -0.000 0.000 0.243 910 A C -0.669 177.331 177.584 0.692 0.000 1.063 910 A CA 0.362 52.788 52.037 0.648 0.000 0.757 910 A CB -0.827 18.565 19.000 0.654 0.000 0.991 910 A HN 0.690 nan 8.150 nan 0.000 0.503 911 F N 2.833 123.067 119.950 0.473 0.000 2.617 911 F HA 0.416 4.943 4.527 -0.000 0.000 0.325 911 F C 0.677 176.648 175.800 0.284 0.000 1.179 911 F CA -1.088 57.118 58.000 0.343 0.000 0.965 911 F CB 1.097 40.124 39.000 0.046 0.000 1.232 911 F HN 0.789 nan 8.300 nan 0.000 0.461 912 R N 4.351 125.237 120.500 0.644 0.000 4.377 912 R HA -0.176 4.163 4.340 -0.000 0.000 0.109 912 R C 0.810 177.272 176.300 0.270 0.000 0.297 912 R CA 1.770 58.129 56.100 0.431 0.000 0.796 912 R CB -0.851 29.729 30.300 0.467 0.000 1.143 912 R HN 1.185 nan 8.270 nan 0.000 0.254 913 G N 3.052 111.993 108.800 0.235 0.000 2.909 913 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.198 913 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.198 913 G C 0.216 175.359 174.900 0.405 0.000 1.124 913 G CA -0.089 45.144 45.100 0.222 0.000 0.796 913 G HN 0.810 nan 8.290 nan 0.000 0.489 914 F N 0.795 120.839 119.950 0.156 0.000 2.975 914 F HA 0.116 4.643 4.527 -0.000 0.000 0.319 914 F C 1.679 177.509 175.800 0.050 0.000 0.976 914 F CA 2.393 60.479 58.000 0.143 0.000 1.072 914 F CB -1.014 38.080 39.000 0.157 0.000 1.165 914 F HN 2.119 nan 8.300 nan 0.000 0.758 915 G N -0.361 108.400 108.800 -0.065 0.000 2.268 915 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.240 915 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.240 915 G C 1.504 176.249 174.900 -0.257 0.000 1.010 915 G CA 0.777 45.739 45.100 -0.231 0.000 0.618 915 G HN 1.595 nan 8.290 nan 0.000 0.516 916 G N 1.475 110.203 108.800 -0.119 0.000 2.404 916 G HA2 0.154 4.114 3.960 -0.000 0.000 0.215 916 G HA3 0.154 4.114 3.960 -0.000 0.000 0.215 916 G C 0.097 174.929 174.900 -0.114 0.000 1.174 916 G CA 1.838 46.829 45.100 -0.182 0.000 0.780 916 G HN 0.533 nan 8.290 nan 0.000 0.537 917 P HA -0.077 nan 4.420 nan 0.000 0.216 917 P C 1.748 179.106 177.300 0.096 0.000 1.150 917 P CA 1.222 64.402 63.100 0.134 0.000 0.837 917 P CB 0.026 31.810 31.700 0.141 0.000 0.786 918 Q N -0.282 119.436 119.800 -0.137 0.000 1.993 918 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 918 Q C 2.365 178.290 176.000 -0.125 0.000 0.984 918 Q CA 2.161 57.822 55.803 -0.236 0.000 0.837 918 Q CB -1.401 26.830 28.738 -0.844 0.000 0.902 918 Q HN 0.138 nan 8.270 nan 0.000 0.423 919 A N 0.354 123.018 122.820 -0.260 0.000 1.908 919 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 919 A C 2.108 179.671 177.584 -0.035 0.000 1.181 919 A CA 1.440 53.434 52.037 -0.071 0.000 0.627 919 A CB -0.810 18.125 19.000 -0.109 0.000 0.818 919 A HN 0.329 nan 8.150 nan 0.000 0.445 920 L N -2.356 118.747 121.223 -0.201 0.000 2.027 920 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 920 L C 2.443 179.081 176.870 -0.386 0.000 1.074 920 L CA 1.496 56.035 54.840 -0.500 0.000 0.745 920 L CB -0.577 40.772 42.059 -1.184 0.000 0.898 920 L HN 0.493 nan 8.230 nan 0.000 0.433 921 F N 1.087 120.927 119.950 -0.182 0.000 2.065 921 F HA -0.309 4.218 4.527 -0.000 0.000 0.298 921 F C 2.308 178.120 175.800 0.019 0.000 1.112 921 F CA 1.696 59.804 58.000 0.181 0.000 1.212 921 F CB -0.286 38.847 39.000 0.222 0.000 0.975 921 F HN -0.100 nan 8.300 nan 0.000 0.476 922 I N 0.486 121.073 120.570 0.029 0.000 2.113 922 I HA -0.440 3.730 4.170 -0.000 0.000 0.242 922 I C 2.725 178.623 176.117 -0.366 0.000 1.057 922 I CA 1.688 62.941 61.300 -0.078 0.000 1.314 922 I CB -1.124 36.984 38.000 0.180 0.000 1.022 922 I HN 0.312 nan 8.210 nan 0.000 0.408 923 A N 0.014 122.622 122.820 -0.354 0.000 1.902 923 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 923 A C 2.187 179.012 177.584 -1.265 0.000 1.181 923 A CA 1.608 53.157 52.037 -0.814 0.000 0.623 923 A CB -0.422 18.388 19.000 -0.317 0.000 0.818 923 A HN 0.386 nan 8.150 nan 0.000 0.443 924 E N -0.311 119.464 120.200 -0.709 0.000 2.358 924 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 924 E C 1.628 177.677 176.600 -0.918 0.000 1.010 924 E CA 0.867 56.808 56.400 -0.765 0.000 0.856 924 E CB -0.389 28.975 29.700 -0.559 0.000 0.795 924 E HN 0.724 nan 8.360 nan 0.000 0.504 925 N N 1.182 119.469 118.700 -0.689 0.000 2.109 925 N HA -0.138 4.601 4.740 -0.000 0.000 0.188 925 N C 1.869 177.159 175.510 -0.367 0.000 1.034 925 N CA 1.723 54.533 53.050 -0.400 0.000 0.846 925 N CB -0.310 37.918 38.487 -0.430 0.000 1.010 925 N HN 0.349 nan 8.380 nan 0.000 0.425 926 W N -0.533 120.489 121.300 -0.464 0.000 2.421 926 W HA -0.050 4.610 4.660 -0.000 0.000 0.270 926 W C 1.510 177.838 176.519 -0.318 0.000 1.233 926 W CA 0.132 57.236 57.345 -0.402 0.000 1.226 926 W CB -0.710 28.459 29.460 -0.486 0.000 1.121 926 W HN 0.160 nan 8.180 nan 0.000 0.579 927 M N 3.350 122.602 119.600 -0.579 0.000 2.077 927 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 927 M C 2.687 178.778 176.300 -0.349 0.000 1.070 927 M CA 2.954 57.934 55.300 -0.533 0.000 1.125 927 M CB -1.058 31.029 32.600 -0.855 0.000 1.339 927 M HN 0.061 nan 8.290 nan 0.000 0.409 928 S N -0.545 114.933 115.700 -0.370 0.000 2.402 928 S HA -0.220 4.249 4.470 -0.000 0.000 0.233 928 S C 1.781 176.312 174.600 -0.114 0.000 1.030 928 S CA 1.805 59.877 58.200 -0.215 0.000 1.003 928 S CB -0.933 62.175 63.200 -0.154 0.000 0.813 928 S HN 0.713 nan 8.310 nan 0.000 0.477 929 E N 0.478 120.622 120.200 -0.094 0.000 2.158 929 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 929 E C 2.115 178.650 176.600 -0.108 0.000 0.982 929 E CA 0.880 57.262 56.400 -0.031 0.000 0.823 929 E CB -0.188 29.557 29.700 0.076 0.000 0.766 929 E HN 0.404 nan 8.360 nan 0.000 0.468 930 V N 1.396 121.156 119.914 -0.257 0.000 2.358 930 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 930 V C 2.289 178.179 176.094 -0.339 0.000 1.047 930 V CA 1.838 63.768 62.300 -0.616 0.000 1.035 930 V CB -0.570 30.811 31.823 -0.736 0.000 0.658 930 V HN 0.306 nan 8.190 nan 0.000 0.452 931 A N -0.199 122.504 122.820 -0.194 0.000 1.877 931 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 931 A C 2.389 179.957 177.584 -0.026 0.000 1.186 931 A CA 2.150 54.134 52.037 -0.087 0.000 0.620 931 A CB -0.703 18.259 19.000 -0.063 0.000 0.822 931 A HN 0.312 nan 8.150 nan 0.000 0.443 932 V N -0.177 119.727 119.914 -0.016 0.000 2.223 932 V HA -0.266 3.854 4.120 -0.000 0.000 0.244 932 V C 2.699 178.827 176.094 0.057 0.000 1.045 932 V CA 2.568 64.887 62.300 0.033 0.000 1.000 932 V CB -1.563 30.286 31.823 0.044 0.000 0.635 932 V HN 0.607 nan 8.190 nan 0.000 0.445 933 T N -0.967 113.629 114.554 0.069 0.000 2.718 933 T HA -0.326 4.023 4.350 -0.000 0.000 0.266 933 T C 1.695 176.488 174.700 0.156 0.000 1.033 933 T CA 2.131 64.316 62.100 0.142 0.000 1.151 933 T CB -0.618 68.405 68.868 0.259 0.000 0.853 933 T HN 0.565 nan 8.240 nan 0.000 0.466 934 C N 0.494 119.865 119.300 0.119 0.000 2.594 934 C HA 0.464 4.923 4.460 -0.000 0.000 0.265 934 C C 2.152 177.193 174.990 0.084 0.000 1.351 934 C CA -0.368 58.724 59.018 0.125 0.000 1.744 934 C CB -1.263 26.538 27.740 0.102 0.000 1.890 934 C HN 0.849 nan 8.230 nan 0.000 0.551 935 G N 1.160 110.002 108.800 0.069 0.000 2.249 935 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.273 935 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.273 935 G C -0.168 174.767 174.900 0.058 0.000 1.036 935 G CA 0.203 45.339 45.100 0.061 0.000 0.824 935 G HN 0.552 nan 8.290 nan 0.000 0.504 936 L N -0.403 120.853 121.223 0.056 0.000 2.334 936 L HA 0.502 4.842 4.340 -0.000 0.000 0.272 936 L C -1.845 175.067 176.870 0.070 0.000 1.020 936 L CA -2.594 52.283 54.840 0.061 0.000 0.812 936 L CB 1.593 43.687 42.059 0.057 0.000 1.264 936 L HN -0.166 nan 8.230 nan 0.000 0.439 937 P HA -0.046 nan 4.420 nan 0.000 0.261 937 P C 0.127 177.505 177.300 0.129 0.000 1.173 937 P CA 0.187 63.366 63.100 0.132 0.000 0.760 937 P CB 0.847 32.652 31.700 0.175 0.000 0.783 938 A N 4.484 127.380 122.820 0.127 0.000 1.908 938 A HA -0.241 4.078 4.320 -0.000 0.000 0.218 938 A C 1.804 179.479 177.584 0.152 0.000 1.181 938 A CA 1.792 53.886 52.037 0.093 0.000 0.627 938 A CB -0.889 18.157 19.000 0.077 0.000 0.818 938 A HN 0.580 nan 8.150 nan 0.000 0.445 939 E N 0.237 120.575 120.200 0.231 0.000 2.085 939 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 939 E C 1.829 178.665 176.600 0.394 0.000 0.994 939 E CA 1.402 58.038 56.400 0.393 0.000 0.801 939 E CB -0.428 29.425 29.700 0.255 0.000 0.743 939 E HN 0.839 nan 8.360 nan 0.000 0.453 940 E N 0.786 121.154 120.200 0.280 0.000 2.038 940 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 940 E C 1.983 178.686 176.600 0.172 0.000 1.000 940 E CA 1.605 58.145 56.400 0.233 0.000 0.803 940 E CB 0.016 29.820 29.700 0.173 0.000 0.750 940 E HN 0.150 nan 8.360 nan 0.000 0.448 941 V N 0.952 120.919 119.914 0.088 0.000 2.427 941 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 941 V C 2.486 178.525 176.094 -0.092 0.000 1.051 941 V CA 1.862 64.154 62.300 -0.012 0.000 1.048 941 V CB -0.500 31.281 31.823 -0.069 0.000 0.666 941 V HN 0.257 nan 8.190 nan 0.000 0.456 942 R N -1.048 119.411 120.500 -0.067 0.000 2.062 942 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 942 R C 2.274 178.481 176.300 -0.155 0.000 1.136 942 R CA 1.969 57.979 56.100 -0.150 0.000 0.948 942 R CB -0.468 29.820 30.300 -0.019 0.000 0.845 942 R HN 0.695 nan 8.270 nan 0.000 0.430 943 W N 2.792 123.910 121.300 -0.305 0.000 2.335 943 W HA -0.247 4.413 4.660 -0.000 0.000 0.311 943 W C 1.755 178.168 176.519 -0.177 0.000 1.213 943 W CA 1.502 58.633 57.345 -0.357 0.000 1.274 943 W CB -0.214 29.123 29.460 -0.204 0.000 1.148 943 W HN 0.046 nan 8.180 nan 0.000 0.498 944 K N 0.466 120.860 120.400 -0.010 0.000 2.160 944 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 944 K C 1.444 177.920 176.600 -0.206 0.000 1.047 944 K CA 1.794 58.037 56.287 -0.073 0.000 0.930 944 K CB -0.459 32.060 32.500 0.032 0.000 0.720 944 K HN 0.071 nan 8.250 nan 0.000 0.450 945 N N 0.136 118.704 118.700 -0.219 0.000 2.373 945 N HA 0.042 4.782 4.740 -0.000 0.000 0.181 945 N C 0.087 175.488 175.510 -0.181 0.000 1.082 945 N CA 0.135 53.066 53.050 -0.198 0.000 0.885 945 N CB 0.180 38.514 38.487 -0.256 0.000 0.977 945 N HN 0.226 nan 8.380 nan 0.000 0.462 946 M N 1.340 120.765 119.600 -0.292 0.000 2.260 946 M HA -0.046 4.434 4.480 -0.000 0.000 0.348 946 M C -0.119 175.952 176.300 -0.381 0.000 1.342 946 M CA 0.244 55.340 55.300 -0.338 0.000 1.040 946 M CB 0.078 32.353 32.600 -0.542 0.000 1.810 946 M HN 0.070 nan 8.290 nan 0.000 0.453 947 Y N 3.189 123.241 120.300 -0.414 0.000 2.861 947 Y HA -0.118 4.432 4.550 -0.000 0.000 0.344 947 Y C 0.812 176.307 175.900 -0.675 0.000 1.272 947 Y CA 0.394 58.114 58.100 -0.634 0.000 1.502 947 Y CB 0.308 38.126 38.460 -1.071 0.000 1.333 947 Y HN 0.405 nan 8.280 nan 0.000 0.634 948 K N 2.104 122.301 120.400 -0.337 0.000 2.110 948 K HA 0.138 4.457 4.320 -0.000 0.000 0.263 948 K C -0.435 175.967 176.600 -0.329 0.000 0.975 948 K CA -1.083 55.043 56.287 -0.270 0.000 0.895 948 K CB 1.293 33.698 32.500 -0.158 0.000 1.060 948 K HN 0.563 nan 8.250 nan 0.000 0.448 949 E N 0.587 120.701 120.200 -0.144 0.000 2.966 949 E HA -0.096 4.254 4.350 -0.000 0.000 0.254 949 E C 0.848 177.381 176.600 -0.113 0.000 0.923 949 E CA 1.851 58.210 56.400 -0.068 0.000 0.960 949 E CB -0.540 29.174 29.700 0.023 0.000 0.901 949 E HN 0.782 nan 8.360 nan 0.000 0.525 950 G N 3.904 112.624 108.800 -0.134 0.000 2.213 950 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.226 950 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.226 950 G C -0.195 174.612 174.900 -0.155 0.000 0.992 950 G CA -0.053 44.978 45.100 -0.115 0.000 0.632 950 G HN 0.637 nan 8.290 nan 0.000 0.511 951 D N 1.170 121.434 120.400 -0.227 0.000 2.414 951 D HA 0.432 5.072 4.640 -0.000 0.000 0.242 951 D C 1.221 177.359 176.300 -0.270 0.000 1.129 951 D CA 0.111 53.989 54.000 -0.204 0.000 0.885 951 D CB 0.702 41.422 40.800 -0.134 0.000 1.198 951 D HN 0.330 nan 8.370 nan 0.000 0.437 952 L N 1.842 122.952 121.223 -0.189 0.000 2.350 952 L HA 0.227 4.566 4.340 -0.000 0.000 0.275 952 L C 1.496 178.224 176.870 -0.237 0.000 1.099 952 L CA -0.667 54.029 54.840 -0.239 0.000 0.808 952 L CB 0.878 42.840 42.059 -0.161 0.000 1.149 952 L HN 0.443 nan 8.230 nan 0.000 0.442 953 T N -2.308 111.965 114.554 -0.467 0.000 2.652 953 T HA -0.011 4.339 4.350 -0.000 0.000 0.319 953 T C 1.453 176.006 174.700 -0.245 0.000 1.029 953 T CA -0.149 61.690 62.100 -0.436 0.000 0.990 953 T CB 0.362 68.553 68.868 -1.127 0.000 1.098 953 T HN 0.749 nan 8.240 nan 0.000 0.520 954 H N 0.133 119.118 119.070 -0.142 0.000 2.524 954 H HA 0.006 4.561 4.556 -0.000 0.000 0.282 954 H C 1.281 176.651 175.328 0.070 0.000 1.016 954 H CA 1.055 57.112 56.048 0.015 0.000 1.270 954 H CB -0.701 29.139 29.762 0.131 0.000 1.394 954 H HN 0.773 nan 8.280 nan 0.000 0.568 955 F N -0.070 119.656 119.950 -0.374 0.000 2.641 955 F HA 0.417 4.944 4.527 -0.000 0.000 0.302 955 F C 0.026 175.782 175.800 -0.073 0.000 1.098 955 F CA -0.804 57.049 58.000 -0.245 0.000 1.318 955 F CB -0.007 38.670 39.000 -0.539 0.000 1.035 955 F HN -0.135 nan 8.300 nan 0.000 0.551 956 N N 1.326 119.848 118.700 -0.297 0.000 2.818 956 N HA -0.237 4.503 4.740 -0.000 0.000 0.250 956 N C -0.294 175.113 175.510 -0.170 0.000 1.108 956 N CA 0.967 53.922 53.050 -0.159 0.000 0.745 956 N CB -1.231 37.250 38.487 -0.011 0.000 1.104 956 N HN 0.783 nan 8.380 nan 0.000 0.557 957 Q N 0.456 120.035 119.800 -0.368 0.000 2.282 957 Q HA 0.369 4.709 4.340 -0.000 0.000 0.260 957 Q C -0.054 175.801 176.000 -0.242 0.000 0.964 957 Q CA -0.684 54.999 55.803 -0.200 0.000 0.880 957 Q CB 1.416 30.133 28.738 -0.036 0.000 1.286 957 Q HN 0.226 nan 8.270 nan 0.000 0.445 958 R N 3.966 124.397 120.500 -0.114 0.000 2.390 958 R HA 0.279 4.619 4.340 -0.000 0.000 0.291 958 R C -1.095 175.150 176.300 -0.092 0.000 1.070 958 R CA -0.344 55.677 56.100 -0.132 0.000 1.014 958 R CB 0.437 30.695 30.300 -0.070 0.000 1.007 958 R HN 0.626 nan 8.270 nan 0.000 0.466 959 L N 4.906 126.005 121.223 -0.206 0.000 2.260 959 L HA 0.294 4.633 4.340 -0.000 0.000 0.289 959 L C -0.184 176.680 176.870 -0.010 0.000 1.057 959 L CA 0.068 54.819 54.840 -0.148 0.000 0.811 959 L CB 1.185 42.971 42.059 -0.456 0.000 1.184 959 L HN 0.559 nan 8.230 nan 0.000 0.429 960 E N 2.519 122.793 120.200 0.123 0.000 2.210 960 E HA 0.514 4.864 4.350 -0.000 0.000 0.266 960 E C 0.421 177.125 176.600 0.174 0.000 0.883 960 E CA -0.765 55.701 56.400 0.111 0.000 0.761 960 E CB 1.982 31.730 29.700 0.081 0.000 1.156 960 E HN 0.712 nan 8.360 nan 0.000 0.412 961 G N 2.661 111.537 108.800 0.127 0.000 2.246 961 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.273 961 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.273 961 G C -0.315 174.663 174.900 0.129 0.000 1.055 961 G CA -0.103 45.072 45.100 0.124 0.000 0.851 961 G HN 0.543 nan 8.290 nan 0.000 0.500 962 F N 2.458 122.334 119.950 -0.125 0.000 2.516 962 F HA 0.412 4.939 4.527 -0.000 0.000 0.351 962 F C 1.530 177.035 175.800 -0.492 0.000 1.208 962 F CA 0.042 57.764 58.000 -0.464 0.000 1.073 962 F CB 0.355 39.138 39.000 -0.361 0.000 1.203 962 F HN 0.294 nan 8.300 nan 0.000 0.602 963 S N 2.774 117.868 115.700 -1.011 0.000 2.575 963 S HA -0.004 4.465 4.470 -0.000 0.000 0.215 963 S C 1.613 175.861 174.600 -0.586 0.000 0.966 963 S CA 0.420 58.305 58.200 -0.526 0.000 0.911 963 S CB -0.391 62.714 63.200 -0.159 0.000 0.780 963 S HN 0.418 nan 8.310 nan 0.000 0.514 964 V N 2.905 122.142 119.914 -1.129 0.000 2.332 964 V HA -0.063 4.056 4.120 -0.000 0.000 0.248 964 V C -0.390 175.619 176.094 -0.143 0.000 1.055 964 V CA 1.814 63.740 62.300 -0.623 0.000 1.038 964 V CB -1.718 29.615 31.823 -0.817 0.000 0.651 964 V HN 0.390 nan 8.190 nan 0.000 0.450 965 P HA -0.184 nan 4.420 nan 0.000 0.216 965 P C 1.691 179.146 177.300 0.259 0.000 1.154 965 P CA 1.613 64.878 63.100 0.274 0.000 0.865 965 P CB -0.120 31.727 31.700 0.246 0.000 0.789 966 R N -1.465 119.096 120.500 0.102 0.000 2.090 966 R HA -0.044 4.295 4.340 -0.000 0.000 0.228 966 R C 2.332 178.681 176.300 0.082 0.000 1.110 966 R CA 1.331 57.479 56.100 0.081 0.000 0.973 966 R CB -1.144 29.174 30.300 0.029 0.000 0.869 966 R HN 0.259 nan 8.270 nan 0.000 0.440 967 C N -0.251 119.094 119.300 0.075 0.000 2.453 967 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 967 C C 2.405 177.474 174.990 0.131 0.000 1.262 967 C CA -0.028 59.039 59.018 0.082 0.000 1.718 967 C CB -0.990 26.797 27.740 0.077 0.000 2.031 967 C HN 0.648 nan 8.230 nan 0.000 0.480 968 W N 2.135 123.442 121.300 0.012 0.000 2.329 968 W HA -0.162 4.498 4.660 -0.000 0.000 0.324 968 W C 2.060 178.573 176.519 -0.010 0.000 1.222 968 W CA 1.962 59.327 57.345 0.034 0.000 1.270 968 W CB -0.747 28.814 29.460 0.168 0.000 1.167 968 W HN 0.388 nan 8.180 nan 0.000 0.467 969 D N -0.130 120.413 120.400 0.238 0.000 2.116 969 D HA -0.244 4.395 4.640 -0.000 0.000 0.193 969 D C 1.954 178.245 176.300 -0.015 0.000 0.998 969 D CA 1.918 55.957 54.000 0.065 0.000 0.836 969 D CB -0.579 40.264 40.800 0.073 0.000 0.951 969 D HN 0.416 nan 8.370 nan 0.000 0.449 970 E N -0.081 120.122 120.200 0.005 0.000 2.106 970 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 970 E C 2.190 178.754 176.600 -0.059 0.000 0.984 970 E CA 0.544 56.933 56.400 -0.018 0.000 0.806 970 E CB -0.039 29.662 29.700 0.001 0.000 0.750 970 E HN 0.175 nan 8.360 nan 0.000 0.458 971 C N 0.393 119.637 119.300 -0.094 0.000 2.446 971 C HA -0.066 4.393 4.460 -0.000 0.000 0.277 971 C C 2.630 177.492 174.990 -0.214 0.000 1.275 971 C CA 0.551 59.478 59.018 -0.151 0.000 1.727 971 C CB -1.103 26.527 27.740 -0.182 0.000 2.010 971 C HN 0.445 nan 8.230 nan 0.000 0.486 972 L N 0.811 121.847 121.223 -0.311 0.000 2.012 972 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 972 L C 2.759 179.556 176.870 -0.121 0.000 1.073 972 L CA 2.044 56.699 54.840 -0.309 0.000 0.748 972 L CB -0.744 41.096 42.059 -0.366 0.000 0.891 972 L HN 0.378 nan 8.230 nan 0.000 0.431 973 K N 0.079 120.435 120.400 -0.073 0.000 1.973 973 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 973 K C 2.330 178.915 176.600 -0.025 0.000 1.047 973 K CA 2.011 58.285 56.287 -0.022 0.000 0.937 973 K CB -0.123 32.369 32.500 -0.014 0.000 0.721 973 K HN 0.382 nan 8.250 nan 0.000 0.440 974 S N 0.172 115.849 115.700 -0.038 0.000 2.423 974 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 974 S C 1.979 176.557 174.600 -0.037 0.000 1.014 974 S CA 1.473 59.653 58.200 -0.034 0.000 0.965 974 S CB -0.252 62.926 63.200 -0.037 0.000 0.785 974 S HN 0.427 nan 8.310 nan 0.000 0.495 975 S N 0.712 116.381 115.700 -0.051 0.000 2.524 975 S HA 0.111 4.580 4.470 -0.000 0.000 0.216 975 S C 0.566 175.146 174.600 -0.033 0.000 0.987 975 S CA 0.143 58.316 58.200 -0.046 0.000 0.909 975 S CB -0.659 62.505 63.200 -0.061 0.000 0.781 975 S HN 0.554 nan 8.310 nan 0.000 0.521 976 Q N -0.633 119.153 119.800 -0.024 0.000 2.470 976 Q HA -0.258 4.082 4.340 -0.000 0.000 0.294 976 Q C 0.166 176.149 176.000 -0.028 0.000 1.356 976 Q CA 0.697 56.496 55.803 -0.007 0.000 0.805 976 Q CB -2.634 26.098 28.738 -0.011 0.000 1.157 976 Q HN 0.743 nan 8.270 nan 0.000 0.431 977 Y N -0.218 119.947 120.300 -0.223 0.000 2.081 977 Y HA -0.351 4.199 4.550 -0.000 0.000 0.280 977 Y C 1.638 177.363 175.900 -0.292 0.000 1.163 977 Y CA 2.609 60.499 58.100 -0.350 0.000 1.135 977 Y CB -0.286 37.806 38.460 -0.613 0.000 0.970 977 Y HN 0.420 nan 8.280 nan 0.000 0.498 978 Y N -0.671 119.612 120.300 -0.028 0.000 2.163 978 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 978 Y C 2.726 178.559 175.900 -0.112 0.000 1.136 978 Y CA 0.929 58.975 58.100 -0.090 0.000 1.147 978 Y CB -0.991 37.480 38.460 0.017 0.000 0.987 978 Y HN 0.212 nan 8.280 nan 0.000 0.509 979 A N 0.689 123.552 122.820 0.071 0.000 1.903 979 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 979 A C 2.201 179.756 177.584 -0.048 0.000 1.191 979 A CA 2.143 54.186 52.037 0.010 0.000 0.638 979 A CB -0.605 18.400 19.000 0.009 0.000 0.823 979 A HN 0.418 nan 8.150 nan 0.000 0.451 980 R N -1.112 119.324 120.500 -0.107 0.000 2.153 980 R HA -0.005 4.335 4.340 -0.000 0.000 0.218 980 R C 2.246 178.432 176.300 -0.189 0.000 1.072 980 R CA 1.089 57.108 56.100 -0.135 0.000 0.990 980 R CB -0.196 30.021 30.300 -0.139 0.000 0.889 980 R HN 0.597 nan 8.270 nan 0.000 0.452 981 K N 0.440 120.660 120.400 -0.300 0.000 2.147 981 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 981 K C 1.841 178.366 176.600 -0.126 0.000 1.049 981 K CA 1.293 57.400 56.287 -0.300 0.000 0.936 981 K CB 0.148 32.378 32.500 -0.450 0.000 0.722 981 K HN -0.025 nan 8.250 nan 0.000 0.446 982 S N 0.847 116.502 115.700 -0.074 0.000 2.387 982 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 982 S C 1.479 176.071 174.600 -0.013 0.000 1.026 982 S CA 1.141 59.326 58.200 -0.026 0.000 0.972 982 S CB -0.073 63.123 63.200 -0.007 0.000 0.814 982 S HN 0.360 nan 8.310 nan 0.000 0.477 983 E N 0.409 120.597 120.200 -0.021 0.000 2.268 983 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 983 E C 1.846 178.468 176.600 0.036 0.000 0.995 983 E CA 0.459 56.864 56.400 0.009 0.000 0.836 983 E CB 0.014 29.712 29.700 -0.003 0.000 0.763 983 E HN 0.210 nan 8.360 nan 0.000 0.491 984 V N 0.969 120.879 119.914 -0.006 0.000 2.346 984 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 984 V C 1.318 177.448 176.094 0.060 0.000 1.037 984 V CA 1.813 64.118 62.300 0.009 0.000 1.029 984 V CB -0.249 31.537 31.823 -0.061 0.000 0.663 984 V HN 0.181 nan 8.190 nan 0.000 0.454 985 D N -0.154 120.260 120.400 0.023 0.000 2.182 985 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 985 D C 2.139 178.461 176.300 0.036 0.000 0.986 985 D CA 1.157 55.172 54.000 0.026 0.000 0.847 985 D CB -0.139 40.666 40.800 0.009 0.000 0.942 985 D HN 0.338 nan 8.370 nan 0.000 0.467 986 K N -0.314 120.114 120.400 0.047 0.000 2.031 986 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 986 K C 2.089 178.726 176.600 0.062 0.000 1.049 986 K CA 0.572 56.884 56.287 0.041 0.000 0.939 986 K CB -0.387 32.138 32.500 0.042 0.000 0.717 986 K HN 0.134 nan 8.250 nan 0.000 0.438 987 F N 2.837 122.771 119.950 -0.026 0.000 2.120 987 F HA -0.263 4.264 4.527 -0.000 0.000 0.300 987 F C 1.737 177.521 175.800 -0.026 0.000 1.095 987 F CA 1.791 59.778 58.000 -0.022 0.000 1.249 987 F CB -0.240 38.750 39.000 -0.017 0.000 0.995 987 F HN 0.178 nan 8.300 nan 0.000 0.480 988 N N 0.621 119.416 118.700 0.158 0.000 2.223 988 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 988 N C 1.668 177.134 175.510 -0.073 0.000 1.016 988 N CA 1.296 54.374 53.050 0.048 0.000 0.863 988 N CB -0.351 38.179 38.487 0.071 0.000 0.983 988 N HN 0.416 nan 8.380 nan 0.000 0.429 989 K N 0.783 121.143 120.400 -0.068 0.000 2.062 989 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 989 K C 1.408 177.927 176.600 -0.136 0.000 1.051 989 K CA 0.914 57.146 56.287 -0.092 0.000 0.941 989 K CB 0.005 32.469 32.500 -0.059 0.000 0.719 989 K HN 0.217 nan 8.250 nan 0.000 0.440 990 E N 0.230 120.327 120.200 -0.172 0.000 2.481 990 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 990 E C -0.336 176.091 176.600 -0.289 0.000 1.047 990 E CA 0.115 56.392 56.400 -0.205 0.000 0.867 990 E CB 0.313 29.899 29.700 -0.189 0.000 0.858 990 E HN 0.173 nan 8.360 nan 0.000 0.513 991 N N -0.682 117.802 118.700 -0.360 0.000 2.295 991 N HA 0.089 4.829 4.740 -0.000 0.000 0.293 991 N C -0.718 174.644 175.510 -0.247 0.000 1.040 991 N CA -0.252 52.574 53.050 -0.374 0.000 0.840 991 N CB 1.861 39.909 38.487 -0.732 0.000 1.468 991 N HN -0.021 nan 8.380 nan 0.000 0.478 992 C N 1.460 120.629 119.300 -0.217 0.000 2.609 992 C HA 0.294 4.754 4.460 -0.000 0.000 0.305 992 C C 0.771 175.546 174.990 -0.358 0.000 1.319 992 C CA -0.185 58.612 59.018 -0.368 0.000 1.793 992 C CB -0.466 26.986 27.740 -0.480 0.000 2.260 992 C HN 0.874 nan 8.230 nan 0.000 0.535 993 W N 1.449 122.814 121.300 0.108 0.000 2.684 993 W HA 0.431 5.091 4.660 -0.000 0.000 0.381 993 W C 0.281 176.853 176.519 0.089 0.000 0.975 993 W CA -0.351 57.060 57.345 0.110 0.000 1.789 993 W CB 0.357 29.849 29.460 0.053 0.000 1.161 993 W HN -0.026 nan 8.180 nan 0.000 0.564 994 K N 1.331 121.889 120.400 0.264 0.000 2.464 994 K HA 0.489 4.809 4.320 -0.000 0.000 0.253 994 K C -0.329 176.464 176.600 0.323 0.000 0.933 994 K CA -0.917 55.542 56.287 0.286 0.000 0.801 994 K CB 2.816 35.524 32.500 0.347 0.000 1.271 994 K HN -0.372 nan 8.250 nan 0.000 0.430 995 K N 1.971 122.556 120.400 0.310 0.000 2.482 995 K HA 0.523 4.843 4.320 -0.000 0.000 0.257 995 K C -0.473 176.226 176.600 0.164 0.000 0.969 995 K CA -0.814 55.638 56.287 0.276 0.000 0.842 995 K CB 2.513 35.102 32.500 0.148 0.000 1.359 995 K HN 0.549 nan 8.250 nan 0.000 0.441 996 R N -0.525 120.039 120.500 0.106 0.000 2.919 996 R HA 0.774 5.114 4.340 -0.000 0.000 0.260 996 R C -0.319 175.974 176.300 -0.012 0.000 1.067 996 R CA -1.182 54.891 56.100 -0.046 0.000 1.003 996 R CB 2.108 32.279 30.300 -0.217 0.000 1.192 996 R HN 0.753 nan 8.270 nan 0.000 0.488 997 G N 0.869 109.645 108.800 -0.039 0.000 2.766 997 G HA2 0.512 4.472 3.960 -0.000 0.000 0.297 997 G HA3 0.512 4.472 3.960 -0.000 0.000 0.297 997 G C -2.207 172.679 174.900 -0.023 0.000 1.431 997 G CA -0.387 44.705 45.100 -0.015 0.000 1.042 997 G HN 0.301 nan 8.290 nan 0.000 0.542 998 L N 1.549 122.767 121.223 -0.010 0.000 2.408 998 L HA 0.918 5.258 4.340 -0.000 0.000 0.268 998 L C -0.785 176.144 176.870 0.098 0.000 0.986 998 L CA -0.615 54.225 54.840 0.000 0.000 0.820 998 L CB 1.996 43.987 42.059 -0.113 0.000 1.303 998 L HN 0.854 nan 8.230 nan 0.000 0.411 999 C N 5.212 124.600 119.300 0.147 0.000 3.171 999 C HA 0.660 5.120 4.460 -0.000 0.000 0.336 999 C C -1.443 173.600 174.990 0.089 0.000 1.198 999 C CA -0.869 58.251 59.018 0.170 0.000 1.319 999 C CB 0.997 28.830 27.740 0.155 0.000 1.682 999 C HN 0.922 nan 8.230 nan 0.000 0.497 1000 I N 5.521 126.072 120.570 -0.032 0.000 2.447 1000 I HA 0.722 4.891 4.170 -0.000 0.000 0.287 1000 I C -1.376 174.709 176.117 -0.054 0.000 1.023 1000 I CA -0.462 60.705 61.300 -0.222 0.000 1.083 1000 I CB 0.981 38.531 38.000 -0.750 0.000 1.245 1000 I HN 0.649 nan 8.210 nan 0.000 0.434 1001 I N 10.118 130.726 120.570 0.063 0.000 2.509 1001 I HA 0.603 4.773 4.170 -0.000 0.000 0.293 1001 I C -2.342 173.975 176.117 0.333 0.000 1.020 1001 I CA -1.987 59.444 61.300 0.219 0.000 1.088 1001 I CB 2.350 40.410 38.000 0.100 0.000 1.267 1001 I HN 0.389 nan 8.210 nan 0.000 0.430 1002 P HA 0.459 nan 4.420 nan 0.000 0.285 1002 P C -1.021 176.464 177.300 0.309 0.000 1.285 1002 P CA -0.596 62.715 63.100 0.353 0.000 0.854 1002 P CB 1.934 33.791 31.700 0.262 0.000 1.180 1003 T N -0.800 113.928 114.554 0.290 0.000 2.923 1003 T HA 0.541 4.891 4.350 -0.000 0.000 0.311 1003 T C -1.498 173.387 174.700 0.307 0.000 1.183 1003 T CA -0.708 61.586 62.100 0.323 0.000 1.020 1003 T CB 0.839 69.981 68.868 0.457 0.000 1.165 1003 T HN 0.606 nan 8.240 nan 0.000 0.482 1004 K N 2.639 123.216 120.400 0.294 0.000 2.427 1004 K HA 0.727 5.047 4.320 -0.000 0.000 0.252 1004 K C -1.855 174.953 176.600 0.347 0.000 0.931 1004 K CA -0.853 55.614 56.287 0.301 0.000 0.793 1004 K CB 1.805 34.506 32.500 0.335 0.000 1.211 1004 K HN 0.409 nan 8.250 nan 0.000 0.426 1005 F N 1.745 121.766 119.950 0.118 0.000 2.507 1005 F HA 0.459 4.986 4.527 -0.000 0.000 0.328 1005 F C 0.124 175.885 175.800 -0.064 0.000 1.136 1005 F CA -0.312 57.778 58.000 0.150 0.000 0.930 1005 F CB 1.935 40.931 39.000 -0.007 0.000 1.166 1005 F HN 0.840 nan 8.300 nan 0.000 0.436 1006 G N 6.721 115.130 108.800 -0.651 0.000 2.343 1006 G HA2 0.352 4.312 3.960 -0.000 0.000 0.254 1006 G HA3 0.352 4.312 3.960 -0.000 0.000 0.254 1006 G C -0.542 173.617 174.900 -1.234 0.000 1.277 1006 G CA -0.426 43.687 45.100 -1.645 0.000 0.909 1006 G HN 0.483 nan 8.290 nan 0.000 0.502 1007 I N 1.959 121.966 120.570 -0.937 0.000 2.287 1007 I HA 0.452 4.622 4.170 -0.000 0.000 0.290 1007 I C 0.331 176.236 176.117 -0.353 0.000 1.069 1007 I CA -0.120 60.806 61.300 -0.624 0.000 1.237 1007 I CB -0.198 37.187 38.000 -1.025 0.000 1.418 1007 I HN 0.354 nan 8.210 nan 0.000 0.481 1008 S N 4.659 120.250 115.700 -0.181 0.000 2.816 1008 S HA 0.247 4.717 4.470 -0.000 0.000 0.282 1008 S C -0.659 173.925 174.600 -0.028 0.000 0.867 1008 S CA -0.869 57.306 58.200 -0.042 0.000 0.886 1008 S CB 0.345 63.579 63.200 0.056 0.000 1.115 1008 S HN 0.271 nan 8.310 nan 0.000 0.485 1009 F N 2.227 122.148 119.950 -0.048 0.000 2.607 1009 F HA 0.088 4.615 4.527 -0.000 0.000 0.374 1009 F C 2.346 178.135 175.800 -0.018 0.000 1.104 1009 F CA 1.051 59.015 58.000 -0.060 0.000 1.296 1009 F CB 0.595 39.526 39.000 -0.114 0.000 1.085 1009 F HN 0.764 nan 8.300 nan 0.000 0.584 1010 T N -1.112 113.586 114.554 0.240 0.000 3.085 1010 T HA 0.034 4.384 4.350 -0.000 0.000 0.263 1010 T C 0.436 175.233 174.700 0.163 0.000 1.127 1010 T CA 0.228 62.455 62.100 0.211 0.000 1.103 1010 T CB -0.401 68.716 68.868 0.416 0.000 0.921 1010 T HN 0.199 nan 8.240 nan 0.000 0.510 1011 V N 3.867 123.835 119.914 0.090 0.000 2.318 1011 V HA 0.266 4.386 4.120 -0.000 0.000 0.271 1011 V C -1.355 174.614 176.094 -0.208 0.000 1.030 1011 V CA -1.793 60.430 62.300 -0.129 0.000 0.844 1011 V CB 1.435 33.056 31.823 -0.336 0.000 1.015 1011 V HN 0.160 nan 8.190 nan 0.000 0.460 1012 P HA -0.221 nan 4.420 nan 0.000 0.215 1012 P C 1.679 178.951 177.300 -0.046 0.000 1.163 1012 P CA 1.468 64.536 63.100 -0.053 0.000 0.894 1012 P CB -0.072 31.630 31.700 0.003 0.000 0.791 1013 F N -0.755 119.175 119.950 -0.034 0.000 2.346 1013 F HA -0.111 4.416 4.527 -0.000 0.000 0.301 1013 F C 1.501 177.223 175.800 -0.131 0.000 1.070 1013 F CA 0.978 58.940 58.000 -0.063 0.000 1.407 1013 F CB -1.863 37.113 39.000 -0.040 0.000 1.072 1013 F HN -0.138 nan 8.300 nan 0.000 0.543 1014 L N 0.506 121.589 121.223 -0.233 0.000 2.492 1014 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 1014 L C 0.591 177.234 176.870 -0.378 0.000 1.132 1014 L CA 0.226 54.797 54.840 -0.448 0.000 0.850 1014 L CB -0.629 40.731 42.059 -1.165 0.000 0.966 1014 L HN 0.108 nan 8.230 nan 0.000 0.454 1015 N N 2.538 121.158 118.700 -0.132 0.000 3.298 1015 N HA 0.078 4.818 4.740 -0.000 0.000 0.292 1015 N C -0.471 174.943 175.510 -0.160 0.000 1.271 1015 N CA 0.116 53.142 53.050 -0.040 0.000 1.184 1015 N CB 0.395 38.875 38.487 -0.011 0.000 1.452 1015 N HN 0.498 nan 8.380 nan 0.000 0.534 1016 Q N -0.835 118.856 119.800 -0.182 0.000 2.389 1016 Q HA 0.831 5.171 4.340 -0.000 0.000 0.277 1016 Q C -1.770 174.042 176.000 -0.314 0.000 1.082 1016 Q CA -1.268 54.350 55.803 -0.308 0.000 0.810 1016 Q CB 2.354 31.040 28.738 -0.088 0.000 1.374 1016 Q HN 0.097 nan 8.270 nan 0.000 0.422 1017 A N 0.878 123.392 122.820 -0.511 0.000 2.520 1017 A HA 0.909 5.229 4.320 -0.000 0.000 0.298 1017 A C -0.838 176.702 177.584 -0.073 0.000 1.051 1017 A CA -0.195 51.701 52.037 -0.235 0.000 0.690 1017 A CB 1.996 20.686 19.000 -0.517 0.000 1.281 1017 A HN 0.906 nan 8.150 nan 0.000 0.402 1018 G N -0.311 108.696 108.800 0.344 0.000 2.519 1018 G HA2 0.847 4.806 3.960 -0.000 0.000 0.307 1018 G HA3 0.847 4.806 3.960 -0.000 0.000 0.307 1018 G C -0.492 174.609 174.900 0.336 0.000 1.266 1018 G CA 0.069 45.407 45.100 0.396 0.000 0.970 1018 G HN 1.744 nan 8.290 nan 0.000 0.481 1019 A N 0.009 122.979 122.820 0.250 0.000 2.479 1019 A HA 0.880 5.199 4.320 -0.000 0.000 0.296 1019 A C -1.714 175.921 177.584 0.086 0.000 1.121 1019 A CA -0.694 51.446 52.037 0.173 0.000 0.743 1019 A CB 2.149 21.246 19.000 0.161 0.000 1.323 1019 A HN 1.358 nan 8.150 nan 0.000 0.415 1020 L N 0.987 122.210 121.223 0.001 0.000 2.476 1020 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 1020 L C -1.535 175.191 176.870 -0.239 0.000 0.965 1020 L CA -0.022 54.750 54.840 -0.113 0.000 0.845 1020 L CB 1.347 43.321 42.059 -0.141 0.000 1.259 1020 L HN 0.621 nan 8.230 nan 0.000 0.403 1021 I N 4.424 124.841 120.570 -0.255 0.000 2.545 1021 I HA 0.456 4.625 4.170 -0.000 0.000 0.292 1021 I C -1.026 174.919 176.117 -0.286 0.000 1.040 1021 I CA -0.793 60.364 61.300 -0.239 0.000 1.068 1021 I CB 1.852 39.814 38.000 -0.064 0.000 1.251 1021 I HN 0.530 nan 8.210 nan 0.000 0.424 1022 H N 5.005 124.011 119.070 -0.106 0.000 2.589 1022 H HA 0.454 5.010 4.556 -0.000 0.000 0.351 1022 H C -0.884 174.262 175.328 -0.303 0.000 1.074 1022 H CA -0.675 55.221 56.048 -0.254 0.000 1.203 1022 H CB 2.488 31.970 29.762 -0.466 0.000 1.558 1022 H HN 0.161 nan 8.280 nan 0.000 0.522 1023 V N 4.771 124.623 119.914 -0.104 0.000 2.370 1023 V HA 0.218 4.337 4.120 -0.000 0.000 0.279 1023 V C -0.147 175.836 176.094 -0.185 0.000 1.029 1023 V CA -0.700 61.565 62.300 -0.059 0.000 0.870 1023 V CB 0.223 32.098 31.823 0.086 0.000 0.984 1023 V HN 0.594 nan 8.190 nan 0.000 0.451 1024 Y N 1.853 122.197 120.300 0.074 0.000 2.334 1024 Y HA 0.226 4.776 4.550 -0.000 0.000 0.325 1024 Y C 2.052 177.910 175.900 -0.069 0.000 1.308 1024 Y CA -0.051 58.043 58.100 -0.010 0.000 1.389 1024 Y CB 1.104 39.559 38.460 -0.009 0.000 1.328 1024 Y HN 0.739 nan 8.280 nan 0.000 0.532 1025 T N -3.572 111.004 114.554 0.037 0.000 3.072 1025 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 1025 T C 0.837 175.490 174.700 -0.078 0.000 1.127 1025 T CA 1.012 63.037 62.100 -0.124 0.000 1.107 1025 T CB -0.313 68.346 68.868 -0.348 0.000 0.910 1025 T HN 0.731 nan 8.240 nan 0.000 0.513 1026 D N 0.979 121.374 120.400 -0.009 0.000 2.349 1026 D HA 0.186 4.826 4.640 -0.000 0.000 0.224 1026 D C 1.671 178.002 176.300 0.050 0.000 1.029 1026 D CA 0.575 54.576 54.000 0.002 0.000 0.879 1026 D CB -0.717 40.087 40.800 0.007 0.000 0.906 1026 D HN 0.562 nan 8.370 nan 0.000 0.528 1027 G N 0.310 109.151 108.800 0.068 0.000 2.175 1027 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 1027 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 1027 G C 0.350 175.491 174.900 0.401 0.000 0.982 1027 G CA 0.387 45.587 45.100 0.168 0.000 0.641 1027 G HN 0.840 nan 8.290 nan 0.000 0.527 1028 S N -0.376 115.495 115.700 0.285 0.000 2.565 1028 S HA 0.702 5.171 4.470 -0.000 0.000 0.274 1028 S C 0.075 174.862 174.600 0.311 0.000 1.309 1028 S CA -0.201 58.166 58.200 0.278 0.000 1.043 1028 S CB 2.464 65.787 63.200 0.206 0.000 0.939 1028 S HN 1.020 nan 8.310 nan 0.000 0.504 1029 V N 3.551 123.616 119.914 0.252 0.000 2.435 1029 V HA 0.491 4.611 4.120 -0.000 0.000 0.290 1029 V C -0.418 175.793 176.094 0.194 0.000 1.030 1029 V CA -0.823 61.590 62.300 0.188 0.000 0.881 1029 V CB 1.291 33.205 31.823 0.153 0.000 0.983 1029 V HN 0.875 nan 8.190 nan 0.000 0.445 1030 L N 6.248 127.557 121.223 0.144 0.000 2.298 1030 L HA 0.627 4.966 4.340 -0.000 0.000 0.284 1030 L C -0.395 176.494 176.870 0.031 0.000 1.013 1030 L CA 0.112 55.057 54.840 0.174 0.000 0.824 1030 L CB 1.617 43.868 42.059 0.321 0.000 1.221 1030 L HN 0.468 nan 8.230 nan 0.000 0.418 1031 V N 3.557 123.479 119.914 0.013 0.000 2.472 1031 V HA 0.695 4.815 4.120 -0.000 0.000 0.290 1031 V C 0.026 176.070 176.094 -0.084 0.000 1.037 1031 V CA -0.466 61.815 62.300 -0.031 0.000 0.908 1031 V CB 1.533 33.367 31.823 0.018 0.000 0.985 1031 V HN 0.806 nan 8.190 nan 0.000 0.454 1032 S N 3.856 119.503 115.700 -0.089 0.000 2.571 1032 S HA 0.684 5.154 4.470 -0.000 0.000 0.284 1032 S C -0.954 173.602 174.600 -0.072 0.000 1.128 1032 S CA -0.669 57.438 58.200 -0.155 0.000 0.970 1032 S CB 0.789 63.912 63.200 -0.128 0.000 1.039 1032 S HN 1.052 nan 8.310 nan 0.000 0.485 1033 H N 1.219 120.221 119.070 -0.114 0.000 2.977 1033 H HA 0.475 5.031 4.556 -0.000 0.000 0.350 1033 H C 0.995 176.166 175.328 -0.261 0.000 1.238 1033 H CA -0.504 55.468 56.048 -0.127 0.000 1.124 1033 H CB 1.060 30.754 29.762 -0.114 0.000 1.866 1033 H HN 0.674 nan 8.280 nan 0.000 0.550 1034 G N 0.159 108.812 108.800 -0.245 0.000 2.498 1034 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 1034 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 1034 G C 0.709 175.312 174.900 -0.495 0.000 1.119 1034 G CA 0.520 45.449 45.100 -0.286 0.000 0.766 1034 G HN 0.819 nan 8.290 nan 0.000 0.552 1035 G N -0.291 108.024 108.800 -0.807 0.000 2.400 1035 G HA2 0.483 4.443 3.960 -0.000 0.000 0.301 1035 G HA3 0.483 4.443 3.960 -0.000 0.000 0.301 1035 G C -0.049 174.755 174.900 -0.160 0.000 1.154 1035 G CA 0.283 45.112 45.100 -0.450 0.000 0.852 1035 G HN 0.360 nan 8.290 nan 0.000 0.511 1036 T N -1.199 113.293 114.554 -0.104 0.000 2.895 1036 T HA 0.552 4.901 4.350 -0.000 0.000 0.283 1036 T C -0.337 174.230 174.700 -0.223 0.000 1.014 1036 T CA -0.787 61.241 62.100 -0.120 0.000 1.037 1036 T CB 2.242 71.060 68.868 -0.083 0.000 1.006 1036 T HN 0.421 nan 8.240 nan 0.000 0.468 1037 E N 2.311 122.317 120.200 -0.324 0.000 2.229 1037 E HA 0.370 4.720 4.350 -0.000 0.000 0.283 1037 E C 0.389 176.907 176.600 -0.136 0.000 1.030 1037 E CA -0.619 55.584 56.400 -0.329 0.000 0.836 1037 E CB 0.679 30.148 29.700 -0.386 0.000 1.068 1037 E HN 0.772 nan 8.360 nan 0.000 0.401 1038 M N 2.439 121.977 119.600 -0.104 0.000 2.504 1038 M HA 0.472 4.952 4.480 -0.000 0.000 0.370 1038 M C 0.790 177.052 176.300 -0.064 0.000 1.110 1038 M CA 0.100 55.336 55.300 -0.106 0.000 0.938 1038 M CB 0.675 33.157 32.600 -0.196 0.000 1.460 1038 M HN 0.575 nan 8.290 nan 0.000 0.535 1039 G N 1.770 110.594 108.800 0.041 0.000 2.195 1039 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.224 1039 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.224 1039 G C 0.846 175.838 174.900 0.155 0.000 0.990 1039 G CA 0.446 45.607 45.100 0.103 0.000 0.639 1039 G HN 0.648 nan 8.290 nan 0.000 0.514 1040 Q N 1.392 121.244 119.800 0.088 0.000 2.436 1040 Q HA 0.276 4.616 4.340 -0.000 0.000 0.209 1040 Q C 1.634 177.673 176.000 0.064 0.000 0.965 1040 Q CA 1.589 57.438 55.803 0.075 0.000 0.910 1040 Q CB -0.463 28.293 28.738 0.030 0.000 0.980 1040 Q HN 1.985 nan 8.270 nan 0.000 0.491 1041 G N 1.860 110.680 108.800 0.034 0.000 2.182 1041 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 1041 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 1041 G C 0.310 175.131 174.900 -0.131 0.000 1.042 1041 G CA 0.360 45.366 45.100 -0.156 0.000 0.775 1041 G HN 0.385 nan 8.290 nan 0.000 0.501 1042 L N 0.258 121.404 121.223 -0.128 0.000 1.989 1042 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 1042 L C 2.583 179.439 176.870 -0.024 0.000 1.071 1042 L CA 2.961 57.750 54.840 -0.084 0.000 0.749 1042 L CB -0.691 41.307 42.059 -0.101 0.000 0.890 1042 L HN 0.427 nan 8.230 nan 0.000 0.431 1043 H N -0.759 118.291 119.070 -0.033 0.000 2.387 1043 H HA -0.093 4.462 4.556 -0.000 0.000 0.299 1043 H C 2.122 177.393 175.328 -0.094 0.000 1.099 1043 H CA 1.807 57.839 56.048 -0.028 0.000 1.315 1043 H CB -1.068 28.649 29.762 -0.075 0.000 1.380 1043 H HN 0.399 nan 8.280 nan 0.000 0.513 1044 T N 0.824 115.343 114.554 -0.058 0.000 2.708 1044 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 1044 T C 2.031 176.712 174.700 -0.032 0.000 1.037 1044 T CA 1.328 63.379 62.100 -0.082 0.000 1.146 1044 T CB 0.043 68.810 68.868 -0.168 0.000 0.865 1044 T HN 0.312 nan 8.240 nan 0.000 0.435 1045 K N 0.439 120.821 120.400 -0.030 0.000 2.097 1045 K HA 0.024 4.344 4.320 -0.000 0.000 0.206 1045 K C 2.325 178.928 176.600 0.005 0.000 1.049 1045 K CA 1.103 57.386 56.287 -0.007 0.000 0.933 1045 K CB -0.128 32.367 32.500 -0.007 0.000 0.717 1045 K HN 0.196 nan 8.250 nan 0.000 0.442 1046 M N 0.200 119.797 119.600 -0.005 0.000 2.200 1046 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 1046 M C 2.210 178.521 176.300 0.018 0.000 1.066 1046 M CA 1.178 56.467 55.300 -0.018 0.000 1.127 1046 M CB -0.668 31.869 32.600 -0.105 0.000 1.379 1046 M HN -0.069 nan 8.290 nan 0.000 0.420 1047 V N 0.754 120.680 119.914 0.020 0.000 2.332 1047 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 1047 V C 2.442 178.543 176.094 0.012 0.000 1.055 1047 V CA 1.714 64.022 62.300 0.013 0.000 1.038 1047 V CB -0.720 31.105 31.823 0.004 0.000 0.651 1047 V HN 0.532 nan 8.190 nan 0.000 0.450 1048 Q N -0.809 118.998 119.800 0.012 0.000 2.079 1048 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 1048 Q C 2.329 178.352 176.000 0.038 0.000 0.974 1048 Q CA 1.633 57.440 55.803 0.007 0.000 0.840 1048 Q CB -0.316 28.421 28.738 -0.001 0.000 0.898 1048 Q HN 0.544 nan 8.270 nan 0.000 0.430 1049 V N 1.202 121.167 119.914 0.085 0.000 2.295 1049 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 1049 V C 2.301 178.494 176.094 0.165 0.000 1.049 1049 V CA 1.965 64.381 62.300 0.193 0.000 1.024 1049 V CB -0.991 30.937 31.823 0.174 0.000 0.648 1049 V HN 0.410 nan 8.190 nan 0.000 0.447 1050 A N -0.322 122.547 122.820 0.082 0.000 1.898 1050 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 1050 A C 2.585 180.171 177.584 0.003 0.000 1.181 1050 A CA 2.197 54.262 52.037 0.046 0.000 0.620 1050 A CB -0.824 18.191 19.000 0.025 0.000 0.819 1050 A HN 0.548 nan 8.150 nan 0.000 0.442 1051 S N -0.326 115.363 115.700 -0.018 0.000 2.382 1051 S HA -0.218 4.252 4.470 -0.000 0.000 0.228 1051 S C 2.064 176.633 174.600 -0.053 0.000 1.027 1051 S CA 1.935 60.095 58.200 -0.066 0.000 0.991 1051 S CB -0.306 62.857 63.200 -0.061 0.000 0.823 1051 S HN 0.605 nan 8.310 nan 0.000 0.469 1052 K N 0.816 121.209 120.400 -0.012 0.000 2.001 1052 K HA 0.066 4.386 4.320 -0.000 0.000 0.208 1052 K C 2.309 178.940 176.600 0.052 0.000 1.048 1052 K CA 1.232 57.507 56.287 -0.020 0.000 0.932 1052 K CB -0.765 31.672 32.500 -0.105 0.000 0.715 1052 K HN 0.378 nan 8.250 nan 0.000 0.437 1053 A N 1.112 124.018 122.820 0.143 0.000 1.908 1053 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 1053 A C 2.098 179.688 177.584 0.010 0.000 1.181 1053 A CA 1.569 53.680 52.037 0.123 0.000 0.627 1053 A CB -0.648 18.401 19.000 0.081 0.000 0.818 1053 A HN 0.383 nan 8.150 nan 0.000 0.445 1054 L N -1.829 119.372 121.223 -0.036 0.000 2.418 1054 L HA 0.009 4.349 4.340 -0.000 0.000 0.218 1054 L C 0.283 177.080 176.870 -0.121 0.000 1.125 1054 L CA 0.560 55.340 54.840 -0.100 0.000 0.835 1054 L CB -0.159 41.759 42.059 -0.236 0.000 0.953 1054 L HN 0.392 nan 8.230 nan 0.000 0.454 1055 K N 1.126 121.475 120.400 -0.085 0.000 3.125 1055 K HA -0.189 4.131 4.320 -0.000 0.000 0.268 1055 K C -0.278 176.236 176.600 -0.142 0.000 1.078 1055 K CA 0.703 56.953 56.287 -0.061 0.000 0.775 1055 K CB -2.159 30.358 32.500 0.028 0.000 1.253 1055 K HN 0.515 nan 8.250 nan 0.000 0.486 1056 I N -4.237 116.179 120.570 -0.256 0.000 3.108 1056 I HA 0.674 4.844 4.170 -0.000 0.000 0.312 1056 I C -2.672 173.325 176.117 -0.201 0.000 1.095 1056 I CA -3.227 57.878 61.300 -0.325 0.000 1.000 1056 I CB 2.155 39.722 38.000 -0.721 0.000 1.229 1056 I HN -0.302 nan 8.210 nan 0.000 0.454 1057 P HA 0.275 nan 4.420 nan 0.000 0.274 1057 P C 0.862 178.114 177.300 -0.080 0.000 1.237 1057 P CA -0.392 62.652 63.100 -0.093 0.000 0.793 1057 P CB 0.652 32.314 31.700 -0.064 0.000 0.977 1058 I N -0.483 120.060 120.570 -0.044 0.000 2.394 1058 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 1058 I C 1.813 177.935 176.117 0.007 0.000 1.136 1058 I CA 1.807 63.096 61.300 -0.019 0.000 1.425 1058 I CB -1.188 36.808 38.000 -0.007 0.000 1.079 1058 I HN 0.259 nan 8.210 nan 0.000 0.425 1059 S N 1.312 117.014 115.700 0.004 0.000 2.462 1059 S HA -0.169 4.301 4.470 -0.000 0.000 0.243 1059 S C 1.780 176.397 174.600 0.028 0.000 1.003 1059 S CA 1.178 59.390 58.200 0.021 0.000 0.970 1059 S CB -0.587 62.618 63.200 0.008 0.000 0.762 1059 S HN 0.635 nan 8.310 nan 0.000 0.510 1060 K N 0.113 120.519 120.400 0.010 0.000 2.374 1060 K HA 0.386 4.706 4.320 -0.000 0.000 0.196 1060 K C -0.111 176.535 176.600 0.075 0.000 1.023 1060 K CA 0.070 56.378 56.287 0.035 0.000 1.103 1060 K CB 0.239 32.732 32.500 -0.012 0.000 0.848 1060 K HN 0.474 nan 8.250 nan 0.000 0.528 1061 I N 0.235 120.847 120.570 0.070 0.000 2.460 1061 I HA 0.277 4.446 4.170 -0.000 0.000 0.298 1061 I C -0.956 175.276 176.117 0.192 0.000 0.989 1061 I CA -1.235 60.127 61.300 0.104 0.000 1.173 1061 I CB 1.100 39.124 38.000 0.040 0.000 1.338 1061 I HN -0.144 nan 8.210 nan 0.000 0.456 1062 Y N 5.507 125.823 120.300 0.026 0.000 2.504 1062 Y HA 0.633 5.183 4.550 -0.000 0.000 0.344 1062 Y C -1.314 174.576 175.900 -0.018 0.000 1.023 1062 Y CA -0.896 57.211 58.100 0.011 0.000 1.020 1062 Y CB 1.692 40.171 38.460 0.032 0.000 1.282 1062 Y HN 0.373 nan 8.280 nan 0.000 0.454 1063 I N 3.813 124.071 120.570 -0.521 0.000 2.406 1063 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 1063 I C 0.541 176.186 176.117 -0.787 0.000 0.999 1063 I CA -0.179 60.808 61.300 -0.522 0.000 1.124 1063 I CB 2.146 39.780 38.000 -0.610 0.000 1.289 1063 I HN 0.705 nan 8.210 nan 0.000 0.441 1064 S N 4.836 120.284 115.700 -0.420 0.000 2.441 1064 S HA 0.171 4.641 4.470 -0.000 0.000 0.224 1064 S C 0.240 174.724 174.600 -0.193 0.000 1.043 1064 S CA 0.702 58.763 58.200 -0.231 0.000 0.948 1064 S CB 0.152 63.389 63.200 0.061 0.000 0.810 1064 S HN 0.822 nan 8.310 nan 0.000 0.504 1065 E N -1.531 118.535 120.200 -0.224 0.000 2.395 1065 E HA 0.258 4.608 4.350 -0.000 0.000 0.273 1065 E C -1.684 174.808 176.600 -0.179 0.000 1.206 1065 E CA -1.008 55.308 56.400 -0.140 0.000 0.899 1065 E CB 0.235 29.912 29.700 -0.038 0.000 1.405 1065 E HN -0.045 nan 8.360 nan 0.000 0.418 1066 T N 1.246 115.730 114.554 -0.116 0.000 2.779 1066 T HA 0.670 5.020 4.350 -0.000 0.000 0.280 1066 T C -0.920 173.721 174.700 -0.100 0.000 0.987 1066 T CA -0.441 61.571 62.100 -0.145 0.000 0.966 1066 T CB 1.121 69.909 68.868 -0.133 0.000 0.933 1066 T HN 0.609 nan 8.240 nan 0.000 0.442 1067 S N 0.468 116.110 115.700 -0.097 0.000 2.540 1067 S HA 0.419 4.889 4.470 -0.000 0.000 0.275 1067 S C 1.075 175.636 174.600 -0.065 0.000 1.123 1067 S CA -0.784 57.369 58.200 -0.077 0.000 0.907 1067 S CB 1.436 64.601 63.200 -0.059 0.000 1.081 1067 S HN 0.691 nan 8.310 nan 0.000 0.476 1068 T N -0.901 113.613 114.554 -0.066 0.000 3.051 1068 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 1068 T C 1.135 175.814 174.700 -0.035 0.000 1.127 1068 T CA 1.224 63.293 62.100 -0.051 0.000 1.107 1068 T CB -0.715 68.117 68.868 -0.060 0.000 0.898 1068 T HN 0.754 nan 8.240 nan 0.000 0.517 1069 N N 1.256 119.937 118.700 -0.032 0.000 2.236 1069 N HA -0.012 4.728 4.740 -0.000 0.000 0.196 1069 N C 1.422 176.936 175.510 0.006 0.000 1.114 1069 N CA 0.868 53.910 53.050 -0.015 0.000 0.859 1069 N CB -0.237 38.240 38.487 -0.017 0.000 0.982 1069 N HN 0.601 nan 8.380 nan 0.000 0.493 1070 T N -2.836 111.718 114.554 0.001 0.000 3.042 1070 T HA 0.279 4.629 4.350 -0.000 0.000 0.245 1070 T C 0.400 175.106 174.700 0.010 0.000 1.029 1070 T CA 0.115 62.223 62.100 0.014 0.000 1.120 1070 T CB -0.053 68.817 68.868 0.003 0.000 0.917 1070 T HN -0.104 nan 8.240 nan 0.000 0.467 1071 V N 4.355 124.270 119.914 0.002 0.000 2.462 1071 V HA 0.509 4.628 4.120 -0.000 0.000 0.288 1071 V C -2.595 173.515 176.094 0.028 0.000 1.020 1071 V CA -1.919 60.401 62.300 0.032 0.000 0.857 1071 V CB 1.952 33.802 31.823 0.044 0.000 1.013 1071 V HN 0.319 nan 8.190 nan 0.000 0.431 1072 P HA 0.403 nan 4.420 nan 0.000 0.280 1072 P C -0.226 177.097 177.300 0.039 0.000 1.272 1072 P CA -0.365 62.745 63.100 0.017 0.000 0.819 1072 P CB 0.709 32.409 31.700 0.001 0.000 1.122 1073 N N -2.065 116.642 118.700 0.013 0.000 2.721 1073 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 1073 N C -0.046 175.498 175.510 0.056 0.000 1.072 1073 N CA 1.090 54.148 53.050 0.014 0.000 0.710 1073 N CB -2.375 36.115 38.487 0.005 0.000 0.993 1073 N HN 0.636 nan 8.380 nan 0.000 0.547 1074 S N -1.766 113.973 115.700 0.064 0.000 2.565 1074 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 1074 S C 0.647 175.291 174.600 0.074 0.000 1.326 1074 S CA -0.629 57.639 58.200 0.114 0.000 1.045 1074 S CB 1.660 64.928 63.200 0.113 0.000 0.918 1074 S HN 0.185 nan 8.310 nan 0.000 0.505 1075 S N 3.830 119.585 115.700 0.091 0.000 2.593 1075 S HA 0.374 4.844 4.470 -0.000 0.000 0.269 1075 S C -2.103 172.554 174.600 0.095 0.000 1.334 1075 S CA -0.847 57.355 58.200 0.002 0.000 1.015 1075 S CB -0.119 62.983 63.200 -0.163 0.000 0.912 1075 S HN 0.736 nan 8.310 nan 0.000 0.541 1076 P HA 0.066 nan 4.420 nan 0.000 0.270 1076 P C -0.643 176.811 177.300 0.256 0.000 1.223 1076 P CA -0.178 63.005 63.100 0.137 0.000 0.785 1076 P CB 0.013 31.792 31.700 0.133 0.000 0.923 1077 T N 1.314 115.981 114.554 0.187 0.000 2.987 1077 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 1077 T C 0.195 174.979 174.700 0.140 0.000 0.981 1077 T CA 0.265 62.485 62.100 0.199 0.000 1.031 1077 T CB -0.661 68.268 68.868 0.102 0.000 0.976 1077 T HN 0.600 nan 8.240 nan 0.000 0.612 1078 A N 1.987 124.899 122.820 0.153 0.000 2.564 1078 A HA 0.840 5.159 4.320 -0.000 0.000 0.291 1078 A C 0.550 177.933 177.584 -0.336 0.000 1.102 1078 A CA -0.310 51.723 52.037 -0.005 0.000 0.660 1078 A CB 0.259 19.325 19.000 0.111 0.000 1.283 1078 A HN 1.469 nan 8.150 nan 0.000 0.430 1079 A N -0.641 121.877 122.820 -0.504 0.000 2.861 1079 A HA 0.035 4.355 4.320 -0.000 0.000 0.261 1079 A C 1.268 178.647 177.584 -0.342 0.000 1.351 1079 A CA 1.801 53.451 52.037 -0.644 0.000 0.904 1079 A CB -2.505 15.628 19.000 -1.444 0.000 1.076 1079 A HN 2.515 nan 8.150 nan 0.000 0.729 1080 S N -4.443 111.141 115.700 -0.192 0.000 3.011 1080 S HA -0.366 4.104 4.470 -0.000 0.000 0.278 1080 S C 1.103 175.650 174.600 -0.088 0.000 1.300 1080 S CA 2.077 60.212 58.200 -0.108 0.000 1.248 1080 S CB -2.450 60.688 63.200 -0.102 0.000 1.517 1080 S HN 2.290 nan 8.310 nan 0.000 0.685 1081 V N -1.828 118.007 119.914 -0.130 0.000 3.633 1081 V HA 0.304 4.424 4.120 -0.000 0.000 0.283 1081 V C 1.584 177.662 176.094 -0.026 0.000 1.305 1081 V CA 0.893 63.148 62.300 -0.075 0.000 1.153 1081 V CB 0.278 32.041 31.823 -0.100 0.000 0.950 1081 V HN 0.376 nan 8.190 nan 0.000 0.432 1082 S N 1.311 117.032 115.700 0.034 0.000 2.371 1082 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 1082 S C 2.009 176.680 174.600 0.119 0.000 1.029 1082 S CA 1.954 60.246 58.200 0.154 0.000 0.978 1082 S CB -0.336 63.027 63.200 0.272 0.000 0.833 1082 S HN 0.732 nan 8.310 nan 0.000 0.466 1083 T N 2.461 117.048 114.554 0.054 0.000 2.746 1083 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 1083 T C 1.363 176.039 174.700 -0.040 0.000 1.039 1083 T CA 1.429 63.537 62.100 0.013 0.000 1.142 1083 T CB -0.514 68.362 68.868 0.014 0.000 0.866 1083 T HN 0.304 nan 8.240 nan 0.000 0.444 1084 D N 1.413 121.790 120.400 -0.037 0.000 2.087 1084 D HA -0.075 4.565 4.640 -0.000 0.000 0.192 1084 D C 2.144 178.320 176.300 -0.208 0.000 0.993 1084 D CA 1.196 55.148 54.000 -0.079 0.000 0.828 1084 D CB -0.419 40.404 40.800 0.040 0.000 0.968 1084 D HN 0.559 nan 8.370 nan 0.000 0.448 1085 I N -2.820 117.635 120.570 -0.192 0.000 2.703 1085 I HA -0.058 4.112 4.170 -0.000 0.000 0.259 1085 I C 1.859 177.770 176.117 -0.343 0.000 1.151 1085 I CA 0.632 61.788 61.300 -0.241 0.000 1.470 1085 I CB -0.448 37.436 38.000 -0.193 0.000 1.112 1085 I HN -0.090 nan 8.210 nan 0.000 0.437 1086 Y N 2.241 122.504 120.300 -0.061 0.000 2.337 1086 Y HA 0.146 4.696 4.550 -0.000 0.000 0.293 1086 Y C 2.786 178.595 175.900 -0.152 0.000 1.123 1086 Y CA 0.913 58.953 58.100 -0.101 0.000 1.201 1086 Y CB -0.477 37.888 38.460 -0.158 0.000 1.011 1086 Y HN 0.214 nan 8.280 nan 0.000 0.545 1087 G N -0.636 108.123 108.800 -0.068 0.000 2.471 1087 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 1087 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 1087 G C 1.473 176.295 174.900 -0.129 0.000 1.125 1087 G CA 0.786 45.832 45.100 -0.091 0.000 0.775 1087 G HN 0.272 nan 8.290 nan 0.000 0.548 1088 Q N -0.016 119.635 119.800 -0.248 0.000 2.259 1088 Q HA 0.393 4.732 4.340 -0.000 0.000 0.201 1088 Q C 2.695 178.651 176.000 -0.073 0.000 0.938 1088 Q CA 1.163 56.761 55.803 -0.342 0.000 0.872 1088 Q CB -0.287 27.865 28.738 -0.976 0.000 0.971 1088 Q HN 0.299 nan 8.270 nan 0.000 0.494 1089 A N -0.433 122.382 122.820 -0.008 0.000 1.883 1089 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 1089 A C 2.183 179.837 177.584 0.116 0.000 1.186 1089 A CA 1.779 53.880 52.037 0.107 0.000 0.624 1089 A CB -0.940 18.153 19.000 0.155 0.000 0.822 1089 A HN 0.248 nan 8.150 nan 0.000 0.444 1090 V N -1.461 118.510 119.914 0.095 0.000 2.358 1090 V HA -0.268 3.851 4.120 -0.000 0.000 0.246 1090 V C 2.355 178.496 176.094 0.079 0.000 1.047 1090 V CA 2.072 64.421 62.300 0.080 0.000 1.035 1090 V CB -0.985 30.869 31.823 0.052 0.000 0.658 1090 V HN 0.724 nan 8.190 nan 0.000 0.452 1091 Y N 1.173 121.452 120.300 -0.035 0.000 2.165 1091 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 1091 Y C 2.593 178.489 175.900 -0.008 0.000 1.155 1091 Y CA 1.999 60.074 58.100 -0.042 0.000 1.164 1091 Y CB -0.020 38.353 38.460 -0.144 0.000 0.978 1091 Y HN 0.237 nan 8.280 nan 0.000 0.513 1092 E N 0.369 120.615 120.200 0.076 0.000 2.072 1092 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 1092 E C 2.440 179.028 176.600 -0.021 0.000 0.985 1092 E CA 1.062 57.482 56.400 0.033 0.000 0.801 1092 E CB -0.769 29.013 29.700 0.138 0.000 0.750 1092 E HN 0.585 nan 8.360 nan 0.000 0.452 1093 A N 0.888 123.716 122.820 0.014 0.000 1.883 1093 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 1093 A C 2.621 180.194 177.584 -0.018 0.000 1.186 1093 A CA 1.618 53.663 52.037 0.013 0.000 0.624 1093 A CB -1.019 17.998 19.000 0.029 0.000 0.822 1093 A HN 0.366 nan 8.150 nan 0.000 0.444 1094 C N -0.744 118.521 119.300 -0.059 0.000 2.419 1094 C HA -0.084 4.376 4.460 -0.000 0.000 0.281 1094 C C 2.857 177.788 174.990 -0.098 0.000 1.336 1094 C CA 1.111 60.090 59.018 -0.066 0.000 1.770 1094 C CB -1.072 26.604 27.740 -0.107 0.000 1.929 1094 C HN 0.587 nan 8.230 nan 0.000 0.509 1095 Q N 0.056 119.744 119.800 -0.186 0.000 2.123 1095 Q HA -0.068 4.272 4.340 -0.000 0.000 0.196 1095 Q C 2.310 178.276 176.000 -0.056 0.000 0.958 1095 Q CA 1.531 57.231 55.803 -0.173 0.000 0.841 1095 Q CB -1.039 27.539 28.738 -0.267 0.000 0.915 1095 Q HN 0.614 nan 8.270 nan 0.000 0.455 1096 T N 2.201 116.737 114.554 -0.029 0.000 2.665 1096 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 1096 T C 2.033 176.750 174.700 0.029 0.000 1.035 1096 T CA 1.164 63.269 62.100 0.009 0.000 1.151 1096 T CB -0.299 68.581 68.868 0.020 0.000 0.862 1096 T HN 0.172 nan 8.240 nan 0.000 0.438 1097 I N 0.527 121.122 120.570 0.042 0.000 2.127 1097 I HA -0.181 3.989 4.170 -0.000 0.000 0.241 1097 I C 2.378 178.553 176.117 0.097 0.000 1.075 1097 I CA 1.300 62.649 61.300 0.082 0.000 1.334 1097 I CB -0.328 37.748 38.000 0.127 0.000 1.040 1097 I HN 0.224 nan 8.210 nan 0.000 0.405 1098 L N 0.374 121.649 121.223 0.086 0.000 2.013 1098 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 1098 L C 2.706 179.596 176.870 0.033 0.000 1.073 1098 L CA 1.400 56.284 54.840 0.075 0.000 0.753 1098 L CB -0.767 41.317 42.059 0.041 0.000 0.890 1098 L HN 0.262 nan 8.230 nan 0.000 0.432 1099 K N 0.325 120.736 120.400 0.017 0.000 2.063 1099 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 1099 K C 2.065 178.675 176.600 0.017 0.000 1.048 1099 K CA 1.429 57.719 56.287 0.006 0.000 0.928 1099 K CB -0.492 32.011 32.500 0.005 0.000 0.713 1099 K HN 0.377 nan 8.250 nan 0.000 0.442 1100 R N 0.501 121.031 120.500 0.049 0.000 2.115 1100 R HA 0.053 4.393 4.340 -0.000 0.000 0.230 1100 R C 2.273 178.675 176.300 0.170 0.000 1.111 1100 R CA 0.705 56.860 56.100 0.092 0.000 0.976 1100 R CB -0.180 30.174 30.300 0.091 0.000 0.870 1100 R HN 0.111 nan 8.270 nan 0.000 0.445 1101 L N 0.306 121.610 121.223 0.135 0.000 2.591 1101 L HA 0.005 4.345 4.340 -0.000 0.000 0.228 1101 L C 1.951 178.857 176.870 0.060 0.000 1.133 1101 L CA 0.153 55.104 54.840 0.186 0.000 0.880 1101 L CB 0.097 42.215 42.059 0.098 0.000 1.033 1101 L HN 0.103 nan 8.230 nan 0.000 0.450 1102 E N 1.134 121.306 120.200 -0.045 0.000 2.046 1102 E HA -0.114 4.235 4.350 -0.000 0.000 0.190 1102 E C -0.666 175.784 176.600 -0.249 0.000 0.982 1102 E CA 1.080 57.379 56.400 -0.168 0.000 0.800 1102 E CB -0.890 28.737 29.700 -0.122 0.000 0.756 1102 E HN 0.153 nan 8.360 nan 0.000 0.449 1103 P HA -0.167 nan 4.420 nan 0.000 0.217 1103 P C 0.849 177.811 177.300 -0.563 0.000 1.151 1103 P CA 1.472 64.276 63.100 -0.493 0.000 0.849 1103 P CB -0.179 31.082 31.700 -0.732 0.000 0.787 1104 F N -0.527 119.338 119.950 -0.142 0.000 2.234 1104 F HA -0.013 4.514 4.527 -0.000 0.000 0.296 1104 F C 2.461 178.101 175.800 -0.268 0.000 1.089 1104 F CA 1.032 58.963 58.000 -0.116 0.000 1.343 1104 F CB -0.688 38.288 39.000 -0.040 0.000 1.040 1104 F HN -0.198 nan 8.300 nan 0.000 0.498 1105 K N 0.801 120.895 120.400 -0.510 0.000 2.057 1105 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 1105 K C 2.032 178.416 176.600 -0.359 0.000 1.049 1105 K CA 1.414 57.109 56.287 -0.986 0.000 0.931 1105 K CB -0.032 31.821 32.500 -1.078 0.000 0.714 1105 K HN 0.134 nan 8.250 nan 0.000 0.440 1106 K N 0.497 120.750 120.400 -0.246 0.000 2.001 1106 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 1106 K C 1.988 178.551 176.600 -0.062 0.000 1.048 1106 K CA 1.405 57.614 56.287 -0.131 0.000 0.932 1106 K CB 0.056 32.473 32.500 -0.139 0.000 0.715 1106 K HN 0.029 nan 8.250 nan 0.000 0.437 1107 K N 0.290 120.648 120.400 -0.070 0.000 2.127 1107 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 1107 K C 0.627 177.271 176.600 0.073 0.000 1.047 1107 K CA 1.181 57.466 56.287 -0.003 0.000 0.927 1107 K CB -0.124 32.378 32.500 0.004 0.000 0.716 1107 K HN 0.043 nan 8.250 nan 0.000 0.450 1108 N N -0.753 118.030 118.700 0.138 0.000 2.725 1108 N HA 0.143 4.883 4.740 -0.000 0.000 0.248 1108 N C -2.598 173.131 175.510 0.364 0.000 1.402 1108 N CA -1.779 51.414 53.050 0.239 0.000 0.766 1108 N CB 1.300 39.967 38.487 0.301 0.000 1.223 1108 N HN -0.233 nan 8.380 nan 0.000 0.515 1109 P HA 0.088 nan 4.420 nan 0.000 0.229 1109 P C 0.064 177.562 177.300 0.330 0.000 1.160 1109 P CA 0.823 64.085 63.100 0.271 0.000 0.777 1109 P CB 0.424 32.202 31.700 0.131 0.000 0.814 1110 D N -0.482 120.058 120.400 0.232 0.000 2.325 1110 D HA 0.093 4.733 4.640 -0.000 0.000 0.225 1110 D C 1.211 177.577 176.300 0.110 0.000 1.096 1110 D CA 0.192 54.288 54.000 0.159 0.000 0.844 1110 D CB 0.298 41.156 40.800 0.098 0.000 0.925 1110 D HN 0.120 nan 8.370 nan 0.000 0.513 1111 G N 0.797 109.699 108.800 0.170 0.000 2.616 1111 G HA2 0.280 4.239 3.960 -0.000 0.000 0.268 1111 G HA3 0.280 4.239 3.960 -0.000 0.000 0.268 1111 G C 0.469 175.087 174.900 -0.470 0.000 1.213 1111 G CA -0.288 44.768 45.100 -0.074 0.000 0.926 1111 G HN 0.147 nan 8.290 nan 0.000 0.523 1112 S N -0.830 114.519 115.700 -0.586 0.000 2.738 1112 S HA 0.215 4.685 4.470 -0.000 0.000 0.284 1112 S C 1.088 175.071 174.600 -1.029 0.000 1.146 1112 S CA -0.535 57.294 58.200 -0.619 0.000 0.997 1112 S CB 1.088 64.124 63.200 -0.274 0.000 1.081 1112 S HN 0.817 nan 8.310 nan 0.000 0.553 1113 W N 1.255 122.108 121.300 -0.745 0.000 2.355 1113 W HA -0.164 4.496 4.660 -0.000 0.000 0.309 1113 W C 1.242 177.633 176.519 -0.214 0.000 1.206 1113 W CA 2.112 59.198 57.345 -0.432 0.000 1.284 1113 W CB -0.523 28.854 29.460 -0.140 0.000 1.145 1113 W HN 0.815 nan 8.180 nan 0.000 0.502 1114 E N 1.001 121.057 120.200 -0.239 0.000 2.077 1114 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 1114 E C 1.647 178.104 176.600 -0.238 0.000 0.989 1114 E CA 2.053 58.309 56.400 -0.239 0.000 0.800 1114 E CB -0.694 28.955 29.700 -0.084 0.000 0.746 1114 E HN 0.193 nan 8.360 nan 0.000 0.452 1115 D N -0.282 119.968 120.400 -0.249 0.000 2.104 1115 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 1115 D C 1.638 177.896 176.300 -0.071 0.000 0.994 1115 D CA 0.921 54.821 54.000 -0.166 0.000 0.830 1115 D CB -0.349 40.341 40.800 -0.182 0.000 0.959 1115 D HN 0.299 nan 8.370 nan 0.000 0.452 1116 W N 1.088 122.307 121.300 -0.136 0.000 2.358 1116 W HA -0.058 4.601 4.660 -0.000 0.000 0.303 1116 W C 2.408 178.732 176.519 -0.324 0.000 1.208 1116 W CA 0.096 57.353 57.345 -0.147 0.000 1.274 1116 W CB -1.288 28.115 29.460 -0.095 0.000 1.138 1116 W HN -0.121 nan 8.180 nan 0.000 0.515 1117 V N 0.588 120.350 119.914 -0.253 0.000 2.295 1117 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 1117 V C 2.267 178.227 176.094 -0.223 0.000 1.049 1117 V CA 2.256 64.341 62.300 -0.358 0.000 1.024 1117 V CB -0.937 30.578 31.823 -0.514 0.000 0.648 1117 V HN 0.045 nan 8.190 nan 0.000 0.447 1118 M N 0.674 120.177 119.600 -0.162 0.000 2.117 1118 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 1118 M C 2.102 178.350 176.300 -0.086 0.000 1.065 1118 M CA 2.074 57.333 55.300 -0.070 0.000 1.114 1118 M CB -0.783 31.784 32.600 -0.056 0.000 1.361 1118 M HN 0.259 nan 8.290 nan 0.000 0.408 1119 A N -0.192 122.538 122.820 -0.149 0.000 1.903 1119 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 1119 A C 2.344 179.563 177.584 -0.608 0.000 1.191 1119 A CA 2.503 54.410 52.037 -0.217 0.000 0.638 1119 A CB -1.488 17.483 19.000 -0.048 0.000 0.823 1119 A HN 0.664 nan 8.150 nan 0.000 0.451 1120 A N -2.221 120.050 122.820 -0.914 0.000 1.970 1120 A HA 0.093 4.412 4.320 -0.000 0.000 0.216 1120 A C 2.059 179.399 177.584 -0.406 0.000 1.170 1120 A CA 1.352 52.726 52.037 -1.105 0.000 0.645 1120 A CB -0.697 17.763 19.000 -0.899 0.000 0.816 1120 A HN 0.697 nan 8.150 nan 0.000 0.447 1121 Y N 1.181 121.294 120.300 -0.312 0.000 2.053 1121 Y HA -0.285 4.264 4.550 -0.000 0.000 0.277 1121 Y C 2.460 178.286 175.900 -0.125 0.000 1.159 1121 Y CA 2.468 60.466 58.100 -0.170 0.000 1.125 1121 Y CB -0.337 38.047 38.460 -0.126 0.000 0.969 1121 Y HN 0.400 nan 8.280 nan 0.000 0.492 1122 Q N -0.711 118.955 119.800 -0.224 0.000 2.364 1122 Q HA -0.187 4.153 4.340 -0.000 0.000 0.209 1122 Q C 1.049 176.936 176.000 -0.188 0.000 0.977 1122 Q CA 1.660 57.333 55.803 -0.216 0.000 0.885 1122 Q CB -0.283 28.430 28.738 -0.041 0.000 0.941 1122 Q HN 0.608 nan 8.270 nan 0.000 0.464 1123 D N 0.086 120.384 120.400 -0.170 0.000 2.339 1123 D HA 0.060 4.699 4.640 -0.000 0.000 0.217 1123 D C -0.448 175.809 176.300 -0.073 0.000 1.050 1123 D CA -0.133 53.837 54.000 -0.049 0.000 0.856 1123 D CB 0.224 41.098 40.800 0.123 0.000 0.922 1123 D HN 0.038 nan 8.370 nan 0.000 0.518 1124 R N -0.578 119.804 120.500 -0.197 0.000 3.336 1124 R HA -0.136 4.204 4.340 -0.000 0.000 0.260 1124 R C -0.926 175.331 176.300 -0.071 0.000 1.032 1124 R CA -0.045 55.950 56.100 -0.174 0.000 0.693 1124 R CB -2.377 27.841 30.300 -0.137 0.000 1.134 1124 R HN 0.052 nan 8.270 nan 0.000 0.433 1125 V N 0.762 120.638 119.914 -0.064 0.000 2.439 1125 V HA 0.170 4.290 4.120 -0.000 0.000 0.282 1125 V C 1.023 177.114 176.094 -0.005 0.000 1.039 1125 V CA -0.338 61.965 62.300 0.004 0.000 0.913 1125 V CB 1.843 33.707 31.823 0.068 0.000 0.983 1125 V HN 0.365 nan 8.190 nan 0.000 0.460 1126 S N 4.668 120.379 115.700 0.019 0.000 2.498 1126 S HA 0.249 4.719 4.470 -0.000 0.000 0.281 1126 S C 0.472 175.093 174.600 0.035 0.000 1.265 1126 S CA -0.371 57.847 58.200 0.030 0.000 1.071 1126 S CB -0.099 63.122 63.200 0.034 0.000 0.894 1126 S HN 0.599 nan 8.310 nan 0.000 0.491 1127 L N 4.461 125.705 121.223 0.036 0.000 2.912 1127 L HA 0.311 4.651 4.340 -0.000 0.000 0.240 1127 L C 0.554 177.453 176.870 0.048 0.000 1.262 1127 L CA -0.211 54.645 54.840 0.027 0.000 1.058 1127 L CB 0.160 42.218 42.059 -0.002 0.000 1.383 1127 L HN 0.518 nan 8.230 nan 0.000 0.512 1128 S N -0.678 115.067 115.700 0.076 0.000 2.538 1128 S HA 0.727 5.196 4.470 -0.000 0.000 0.288 1128 S C -0.628 174.025 174.600 0.087 0.000 1.108 1128 S CA -0.284 58.000 58.200 0.141 0.000 0.971 1128 S CB 2.190 65.526 63.200 0.228 0.000 1.041 1128 S HN 0.104 nan 8.310 nan 0.000 0.483 1129 T N 1.689 116.275 114.554 0.053 0.000 2.840 1129 T HA 0.600 4.949 4.350 -0.000 0.000 0.317 1129 T C -0.845 173.865 174.700 0.016 0.000 1.401 1129 T CA -0.323 61.800 62.100 0.038 0.000 1.028 1129 T CB 1.389 70.279 68.868 0.038 0.000 1.317 1129 T HN 0.890 nan 8.240 nan 0.000 0.495 1130 T N 0.417 114.993 114.554 0.036 0.000 2.913 1130 T HA 0.751 5.101 4.350 -0.000 0.000 0.287 1130 T C 0.473 175.224 174.700 0.084 0.000 1.008 1130 T CA -0.397 61.736 62.100 0.055 0.000 1.067 1130 T CB 1.265 70.168 68.868 0.058 0.000 0.996 1130 T HN 0.880 nan 8.240 nan 0.000 0.513 1131 G N 0.421 109.296 108.800 0.126 0.000 2.533 1131 G HA2 0.682 4.642 3.960 -0.000 0.000 0.304 1131 G HA3 0.682 4.642 3.960 -0.000 0.000 0.304 1131 G C -2.026 173.050 174.900 0.294 0.000 1.263 1131 G CA -0.849 44.354 45.100 0.172 0.000 0.964 1131 G HN 0.699 nan 8.290 nan 0.000 0.479 1132 F N 0.165 120.178 119.950 0.106 0.000 2.645 1132 F HA 0.754 5.281 4.527 -0.000 0.000 0.310 1132 F C -1.868 174.039 175.800 0.177 0.000 1.102 1132 F CA -1.214 56.856 58.000 0.117 0.000 0.952 1132 F CB 2.483 41.523 39.000 0.067 0.000 1.326 1132 F HN 0.555 nan 8.300 nan 0.000 0.456 1133 Y N 4.020 123.919 120.300 -0.669 0.000 2.480 1133 Y HA 0.503 5.052 4.550 -0.000 0.000 0.329 1133 Y C -1.648 173.892 175.900 -0.600 0.000 1.127 1133 Y CA -1.028 56.812 58.100 -0.434 0.000 1.037 1133 Y CB 1.306 39.601 38.460 -0.275 0.000 1.320 1133 Y HN 0.717 nan 8.280 nan 0.000 0.446 1134 R N 4.632 124.413 120.500 -1.199 0.000 2.473 1134 R HA 0.431 4.771 4.340 -0.000 0.000 0.303 1134 R C -1.340 174.349 176.300 -1.018 0.000 1.002 1134 R CA -0.459 55.151 56.100 -0.817 0.000 0.884 1134 R CB 1.208 31.330 30.300 -0.297 0.000 1.173 1134 R HN 0.777 nan 8.270 nan 0.000 0.464 1135 T N 7.106 121.154 114.554 -0.843 0.000 2.871 1135 T HA 0.097 4.446 4.350 -0.000 0.000 0.296 1135 T C -2.028 172.452 174.700 -0.367 0.000 0.998 1135 T CA -0.343 61.412 62.100 -0.576 0.000 1.162 1135 T CB 0.551 69.203 68.868 -0.360 0.000 0.947 1135 T HN 0.503 nan 8.240 nan 0.000 0.536 1136 P HA 0.279 nan 4.420 nan 0.000 0.279 1136 P C 0.079 177.358 177.300 -0.034 0.000 1.252 1136 P CA -0.569 62.465 63.100 -0.109 0.000 0.811 1136 P CB 0.503 32.188 31.700 -0.024 0.000 1.035 1137 N N -1.397 117.297 118.700 -0.011 0.000 2.741 1137 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 1137 N C -0.317 175.198 175.510 0.008 0.000 1.112 1137 N CA 0.740 53.800 53.050 0.015 0.000 0.750 1137 N CB -1.909 36.608 38.487 0.050 0.000 1.119 1137 N HN 0.472 nan 8.380 nan 0.000 0.561 1138 L N 0.295 121.506 121.223 -0.019 0.000 2.371 1138 L HA 0.524 4.863 4.340 -0.000 0.000 0.272 1138 L C 1.224 178.082 176.870 -0.022 0.000 1.124 1138 L CA 0.230 55.050 54.840 -0.034 0.000 0.816 1138 L CB 1.235 43.261 42.059 -0.055 0.000 1.129 1138 L HN 0.318 nan 8.230 nan 0.000 0.448 1139 G N 2.111 110.898 108.800 -0.022 0.000 3.175 1139 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.235 1139 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.235 1139 G C -1.257 173.660 174.900 0.029 0.000 3.842 1139 G CA -0.780 44.325 45.100 0.008 0.000 0.513 1139 G HN 0.413 nan 8.290 nan 0.000 0.341 1140 Y N 1.703 121.945 120.300 -0.097 0.000 2.359 1140 Y HA 0.651 5.201 4.550 -0.000 0.000 0.330 1140 Y C 0.377 176.283 175.900 0.010 0.000 1.143 1140 Y CA -0.009 58.035 58.100 -0.093 0.000 1.318 1140 Y CB 1.701 40.031 38.460 -0.218 0.000 1.234 1140 Y HN 0.296 nan 8.280 nan 0.000 0.522 1141 S N 5.992 121.252 115.700 -0.734 0.000 2.456 1141 S HA 0.306 4.775 4.470 -0.000 0.000 0.316 1141 S C 0.440 174.487 174.600 -0.922 0.000 1.089 1141 S CA -0.656 57.228 58.200 -0.526 0.000 1.101 1141 S CB 0.039 63.080 63.200 -0.266 0.000 0.995 1141 S HN 0.730 nan 8.310 nan 0.000 0.468 1142 F N 2.636 122.305 119.950 -0.468 0.000 2.234 1142 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 1142 F C 1.589 177.316 175.800 -0.121 0.000 1.087 1142 F CA 0.826 58.715 58.000 -0.186 0.000 1.340 1142 F CB 0.105 39.121 39.000 0.027 0.000 1.031 1142 F HN 0.647 nan 8.300 nan 0.000 0.500 1143 E N 0.157 120.377 120.200 0.033 0.000 2.089 1143 E HA 0.341 4.691 4.350 -0.000 0.000 0.284 1143 E C 0.521 177.084 176.600 -0.061 0.000 1.023 1143 E CA 0.552 56.955 56.400 0.006 0.000 0.819 1143 E CB 0.809 30.523 29.700 0.023 0.000 1.076 1143 E HN 0.307 nan 8.360 nan 0.000 0.396 1144 T N 1.476 115.998 114.554 -0.053 0.000 5.742 1144 T HA -0.260 4.089 4.350 -0.000 0.000 0.272 1144 T C 0.582 175.235 174.700 -0.078 0.000 2.202 1144 T CA 0.395 62.457 62.100 -0.064 0.000 3.767 1144 T CB -2.048 66.776 68.868 -0.073 0.000 0.553 1144 T HN 0.870 nan 8.240 nan 0.000 0.652 1145 N N 1.210 119.811 118.700 -0.164 0.000 2.727 1145 N HA -0.111 4.629 4.740 -0.000 0.000 0.251 1145 N C -0.386 175.156 175.510 0.053 0.000 1.040 1145 N CA 2.131 55.147 53.050 -0.056 0.000 0.712 1145 N CB -1.403 37.135 38.487 0.084 0.000 0.912 1145 N HN 2.011 nan 8.380 nan 0.000 0.545 1146 S N -1.311 114.327 115.700 -0.104 0.000 2.587 1146 S HA 0.844 5.314 4.470 -0.000 0.000 0.269 1146 S C 0.090 174.693 174.600 0.005 0.000 1.154 1146 S CA 0.079 58.291 58.200 0.020 0.000 0.824 1146 S CB 1.513 64.700 63.200 -0.022 0.000 1.118 1146 S HN 1.660 nan 8.310 nan 0.000 0.462 1147 G N 1.238 110.077 108.800 0.065 0.000 2.719 1147 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.686 1147 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.686 1147 G C -1.168 173.803 174.900 0.117 0.000 1.201 1147 G CA -0.993 44.143 45.100 0.061 0.000 0.768 1147 G HN 0.918 nan 8.290 nan 0.000 0.629 1148 N N 0.536 119.260 118.700 0.040 0.000 2.452 1148 N HA 0.427 5.167 4.740 -0.000 0.000 0.266 1148 N C 1.424 176.827 175.510 -0.179 0.000 1.209 1148 N CA 0.664 53.703 53.050 -0.019 0.000 0.929 1148 N CB 1.451 39.935 38.487 -0.004 0.000 1.063 1148 N HN 1.061 nan 8.380 nan 0.000 0.472 1149 A N 3.147 125.672 122.820 -0.491 0.000 1.930 1149 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 1149 A C 0.162 177.020 177.584 -1.209 0.000 1.176 1149 A CA 0.983 52.279 52.037 -1.235 0.000 0.632 1149 A CB -0.028 17.326 19.000 -2.744 0.000 0.819 1149 A HN 0.584 nan 8.150 nan 0.000 0.445 1150 F N -4.158 115.584 119.950 -0.347 0.000 2.611 1150 F HA 0.492 5.019 4.527 -0.000 0.000 0.324 1150 F C 1.060 176.734 175.800 -0.210 0.000 1.061 1150 F CA -0.767 56.998 58.000 -0.392 0.000 0.954 1150 F CB 1.116 39.679 39.000 -0.728 0.000 1.301 1150 F HN 0.104 nan 8.300 nan 0.000 0.482 1151 H N 0.374 119.391 119.070 -0.090 0.000 2.355 1151 H HA 0.118 4.674 4.556 -0.000 0.000 0.303 1151 H C -0.680 174.701 175.328 0.089 0.000 1.061 1151 H CA 1.577 57.629 56.048 0.006 0.000 1.368 1151 H CB 0.210 30.014 29.762 0.071 0.000 1.412 1151 H HN 0.535 nan 8.280 nan 0.000 0.523 1152 Y N -3.415 116.749 120.300 -0.228 0.000 2.896 1152 Y HA 0.514 5.064 4.550 -0.000 0.000 0.317 1152 Y C -1.603 173.935 175.900 -0.604 0.000 1.444 1152 Y CA -1.857 56.064 58.100 -0.298 0.000 1.084 1152 Y CB 0.806 39.142 38.460 -0.207 0.000 1.382 1152 Y HN -0.185 nan 8.280 nan 0.000 0.471 1153 F N 0.138 120.052 119.950 -0.060 0.000 2.532 1153 F HA 0.652 5.179 4.527 -0.000 0.000 0.321 1153 F C -0.218 175.302 175.800 -0.467 0.000 1.089 1153 F CA -0.889 56.870 58.000 -0.402 0.000 0.926 1153 F CB 2.511 41.185 39.000 -0.544 0.000 1.168 1153 F HN 0.434 nan 8.300 nan 0.000 0.459 1154 T N 1.911 116.323 114.554 -0.238 0.000 2.875 1154 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 1154 T C -1.172 173.350 174.700 -0.296 0.000 0.995 1154 T CA -0.421 61.586 62.100 -0.154 0.000 1.060 1154 T CB 0.570 69.457 68.868 0.031 0.000 0.967 1154 T HN 0.334 nan 8.240 nan 0.000 0.476 1155 Y N -0.114 120.272 120.300 0.142 0.000 2.576 1155 Y HA 0.729 5.279 4.550 -0.000 0.000 0.346 1155 Y C 0.606 176.549 175.900 0.071 0.000 1.018 1155 Y CA -0.989 57.157 58.100 0.077 0.000 1.050 1155 Y CB 2.626 41.053 38.460 -0.056 0.000 1.280 1155 Y HN 0.933 nan 8.280 nan 0.000 0.474 1156 G N -0.047 108.907 108.800 0.256 0.000 2.576 1156 G HA2 0.593 4.553 3.960 -0.000 0.000 0.290 1156 G HA3 0.593 4.553 3.960 -0.000 0.000 0.290 1156 G C -2.409 172.601 174.900 0.184 0.000 1.442 1156 G CA -0.765 44.443 45.100 0.180 0.000 0.792 1156 G HN 0.475 nan 8.290 nan 0.000 0.491 1157 V N -0.229 119.767 119.914 0.136 0.000 2.733 1157 V HA 0.814 4.934 4.120 -0.000 0.000 0.306 1157 V C -0.029 176.092 176.094 0.044 0.000 1.084 1157 V CA -0.410 61.967 62.300 0.129 0.000 0.905 1157 V CB 1.526 33.430 31.823 0.136 0.000 1.010 1157 V HN 1.585 nan 8.190 nan 0.000 0.424 1158 A N 2.782 125.627 122.820 0.042 0.000 2.355 1158 A HA 0.772 5.092 4.320 -0.000 0.000 0.317 1158 A C -0.741 176.819 177.584 -0.040 0.000 1.094 1158 A CA -0.470 51.567 52.037 -0.001 0.000 0.764 1158 A CB 1.580 20.626 19.000 0.077 0.000 1.230 1158 A HN 1.039 nan 8.150 nan 0.000 0.448 1159 C N 2.215 121.473 119.300 -0.069 0.000 2.301 1159 C HA 0.806 5.266 4.460 -0.000 0.000 0.323 1159 C C 0.033 175.021 174.990 -0.004 0.000 1.265 1159 C CA -0.087 58.899 59.018 -0.054 0.000 1.503 1159 C CB -0.238 27.447 27.740 -0.091 0.000 2.195 1159 C HN 0.822 nan 8.230 nan 0.000 0.477 1160 S N 3.617 119.342 115.700 0.042 0.000 2.513 1160 S HA 0.587 5.057 4.470 -0.000 0.000 0.299 1160 S C -1.127 173.493 174.600 0.034 0.000 1.087 1160 S CA -0.445 57.786 58.200 0.052 0.000 1.012 1160 S CB 1.649 64.922 63.200 0.121 0.000 1.044 1160 S HN 0.882 nan 8.310 nan 0.000 0.485 1161 E N 1.751 121.955 120.200 0.007 0.000 2.222 1161 E HA 0.674 5.024 4.350 -0.000 0.000 0.267 1161 E C -1.246 175.341 176.600 -0.022 0.000 0.884 1161 E CA -0.836 55.550 56.400 -0.023 0.000 0.764 1161 E CB 1.439 31.106 29.700 -0.056 0.000 1.169 1161 E HN 0.474 nan 8.360 nan 0.000 0.413 1162 V N 0.631 120.527 119.914 -0.030 0.000 3.007 1162 V HA 0.632 4.752 4.120 -0.000 0.000 0.311 1162 V C -1.050 175.014 176.094 -0.049 0.000 1.120 1162 V CA -0.886 61.411 62.300 -0.006 0.000 0.980 1162 V CB 1.810 33.659 31.823 0.044 0.000 1.033 1162 V HN 0.852 nan 8.190 nan 0.000 0.429 1163 E N 3.014 123.195 120.200 -0.032 0.000 2.165 1163 E HA 0.619 4.968 4.350 -0.000 0.000 0.266 1163 E C -0.569 176.063 176.600 0.053 0.000 0.889 1163 E CA -0.914 55.456 56.400 -0.050 0.000 0.756 1163 E CB 1.709 31.334 29.700 -0.125 0.000 1.131 1163 E HN 0.930 nan 8.360 nan 0.000 0.411 1164 I N 0.768 121.382 120.570 0.074 0.000 2.499 1164 I HA 0.474 4.644 4.170 -0.000 0.000 0.296 1164 I C -0.182 176.006 176.117 0.119 0.000 0.992 1164 I CA -0.764 60.597 61.300 0.103 0.000 1.297 1164 I CB 1.393 39.433 38.000 0.068 0.000 1.410 1164 I HN 0.366 nan 8.210 nan 0.000 0.507 1165 D N 4.700 125.162 120.400 0.103 0.000 2.313 1165 D HA 0.251 4.890 4.640 -0.000 0.000 0.239 1165 D C 0.423 176.782 176.300 0.099 0.000 1.142 1165 D CA -0.414 53.646 54.000 0.100 0.000 0.847 1165 D CB 1.572 42.404 40.800 0.054 0.000 1.082 1165 D HN 0.744 nan 8.370 nan 0.000 0.480 1166 C N 3.393 122.788 119.300 0.158 0.000 2.468 1166 C HA 0.048 4.508 4.460 -0.000 0.000 0.277 1166 C C 2.579 177.640 174.990 0.119 0.000 1.400 1166 C CA -0.131 58.995 59.018 0.180 0.000 1.770 1166 C CB -0.750 27.180 27.740 0.316 0.000 1.905 1166 C HN 0.653 nan 8.230 nan 0.000 0.519 1167 L N 1.069 122.313 121.223 0.034 0.000 2.341 1167 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 1167 L C 2.581 179.369 176.870 -0.137 0.000 1.115 1167 L CA 1.768 56.513 54.840 -0.158 0.000 0.820 1167 L CB -0.341 41.520 42.059 -0.330 0.000 0.944 1167 L HN 0.551 nan 8.230 nan 0.000 0.452 1168 T N -6.237 108.278 114.554 -0.064 0.000 2.954 1168 T HA 0.296 4.646 4.350 -0.000 0.000 0.252 1168 T C 1.430 176.117 174.700 -0.021 0.000 0.983 1168 T CA 0.574 62.640 62.100 -0.057 0.000 0.941 1168 T CB 1.124 69.958 68.868 -0.056 0.000 1.141 1168 T HN 0.275 nan 8.240 nan 0.000 0.500 1169 G N 1.554 110.358 108.800 0.007 0.000 2.217 1169 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 1169 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 1169 G C -0.252 174.681 174.900 0.055 0.000 0.990 1169 G CA 0.079 45.193 45.100 0.022 0.000 0.627 1169 G HN 0.602 nan 8.290 nan 0.000 0.522 1170 D N 1.471 121.900 120.400 0.047 0.000 2.357 1170 D HA 0.509 5.149 4.640 -0.000 0.000 0.242 1170 D C 0.647 177.020 176.300 0.121 0.000 1.153 1170 D CA 0.905 54.940 54.000 0.059 0.000 0.918 1170 D CB 0.562 41.360 40.800 -0.004 0.000 1.181 1170 D HN 0.738 nan 8.370 nan 0.000 0.435 1171 H N -2.206 116.845 119.070 -0.032 0.000 3.046 1171 H HA 0.352 4.908 4.556 -0.000 0.000 0.363 1171 H C -1.245 174.059 175.328 -0.041 0.000 1.203 1171 H CA -0.912 55.115 56.048 -0.034 0.000 1.169 1171 H CB 1.311 31.047 29.762 -0.044 0.000 1.851 1171 H HN 0.220 nan 8.280 nan 0.000 0.546 1172 K N 2.516 122.855 120.400 -0.102 0.000 2.182 1172 K HA 0.337 4.657 4.320 -0.000 0.000 0.262 1172 K C -0.687 175.885 176.600 -0.046 0.000 0.957 1172 K CA -1.065 55.138 56.287 -0.141 0.000 0.842 1172 K CB 1.394 33.842 32.500 -0.087 0.000 1.099 1172 K HN 0.400 nan 8.250 nan 0.000 0.438 1173 N N 3.243 121.901 118.700 -0.069 0.000 2.406 1173 N HA 0.130 4.870 4.740 -0.000 0.000 0.251 1173 N C 0.572 176.056 175.510 -0.042 0.000 1.069 1173 N CA -0.139 52.905 53.050 -0.009 0.000 0.947 1173 N CB 1.083 39.559 38.487 -0.018 0.000 1.111 1173 N HN 0.534 nan 8.380 nan 0.000 0.497 1174 L N 1.386 122.587 121.223 -0.037 0.000 2.253 1174 L HA 0.213 4.553 4.340 -0.000 0.000 0.205 1174 L C 0.877 177.725 176.870 -0.037 0.000 1.078 1174 L CA 0.498 55.309 54.840 -0.049 0.000 0.805 1174 L CB 0.190 42.205 42.059 -0.074 0.000 0.963 1174 L HN 0.447 nan 8.230 nan 0.000 0.459 1175 R N -0.955 119.526 120.500 -0.032 0.000 2.633 1175 R HA 0.363 4.702 4.340 -0.000 0.000 0.255 1175 R C -1.704 174.584 176.300 -0.020 0.000 1.106 1175 R CA -0.278 55.810 56.100 -0.021 0.000 0.959 1175 R CB 1.654 31.942 30.300 -0.020 0.000 1.259 1175 R HN -0.231 nan 8.270 nan 0.000 0.453 1176 T N 2.455 116.997 114.554 -0.020 0.000 2.909 1176 T HA 0.465 4.815 4.350 -0.000 0.000 0.299 1176 T C -1.729 172.955 174.700 -0.028 0.000 1.073 1176 T CA -0.611 61.457 62.100 -0.053 0.000 0.999 1176 T CB 1.733 70.487 68.868 -0.190 0.000 1.098 1176 T HN 0.584 nan 8.240 nan 0.000 0.477 1177 D N 1.317 121.673 120.400 -0.073 0.000 2.936 1177 D HA 0.597 5.237 4.640 -0.000 0.000 0.238 1177 D C -0.931 175.308 176.300 -0.100 0.000 1.248 1177 D CA -0.281 53.677 54.000 -0.069 0.000 0.903 1177 D CB 1.510 42.274 40.800 -0.061 0.000 1.544 1177 D HN 0.346 nan 8.370 nan 0.000 0.543 1178 I N 1.459 121.969 120.570 -0.100 0.000 2.545 1178 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 1178 I C -0.835 175.251 176.117 -0.052 0.000 1.040 1178 I CA -1.135 60.114 61.300 -0.085 0.000 1.068 1178 I CB 2.201 40.134 38.000 -0.111 0.000 1.251 1178 I HN 0.017 nan 8.210 nan 0.000 0.424 1179 V N 5.883 125.784 119.914 -0.022 0.000 2.444 1179 V HA 0.503 4.622 4.120 -0.000 0.000 0.294 1179 V C -0.448 175.666 176.094 0.032 0.000 1.022 1179 V CA -0.450 61.848 62.300 -0.003 0.000 0.850 1179 V CB 1.632 33.454 31.823 -0.002 0.000 0.992 1179 V HN 0.651 nan 8.190 nan 0.000 0.426 1180 M N 3.932 123.552 119.600 0.034 0.000 2.253 1180 M HA 0.500 4.979 4.480 -0.000 0.000 0.314 1180 M C -0.850 175.491 176.300 0.067 0.000 1.019 1180 M CA -0.457 54.880 55.300 0.061 0.000 0.932 1180 M CB 1.626 34.255 32.600 0.048 0.000 1.606 1180 M HN 0.678 nan 8.290 nan 0.000 0.430 1181 D N 3.586 124.048 120.400 0.105 0.000 2.441 1181 D HA 0.280 4.919 4.640 -0.000 0.000 0.221 1181 D C 0.349 176.714 176.300 0.107 0.000 1.156 1181 D CA -0.223 53.845 54.000 0.113 0.000 0.896 1181 D CB 0.625 41.530 40.800 0.176 0.000 1.028 1181 D HN 0.424 nan 8.370 nan 0.000 0.509 1182 V N 2.033 121.989 119.914 0.070 0.000 3.177 1182 V HA 0.570 4.690 4.120 -0.000 0.000 0.342 1182 V C 1.190 177.304 176.094 0.032 0.000 1.379 1182 V CA 0.367 62.702 62.300 0.058 0.000 1.191 1182 V CB -0.526 31.323 31.823 0.043 0.000 1.167 1182 V HN 0.650 nan 8.190 nan 0.000 0.471 1183 G N 1.597 110.414 108.800 0.028 0.000 2.566 1183 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.280 1183 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.280 1183 G C 0.016 174.915 174.900 -0.001 0.000 1.225 1183 G CA 0.057 45.156 45.100 -0.002 0.000 0.966 1183 G HN 1.133 nan 8.290 nan 0.000 0.560 1184 S N 0.259 115.952 115.700 -0.011 0.000 2.411 1184 S HA 0.561 5.030 4.470 -0.000 0.000 0.294 1184 S C 0.412 175.012 174.600 -0.000 0.000 1.115 1184 S CA 0.518 58.715 58.200 -0.006 0.000 1.071 1184 S CB 1.437 64.633 63.200 -0.007 0.000 0.967 1184 S HN 1.376 nan 8.310 nan 0.000 0.488 1185 S N 3.412 119.112 115.700 0.001 0.000 2.548 1185 S HA 0.277 4.747 4.470 -0.000 0.000 0.277 1185 S C 1.066 175.668 174.600 0.003 0.000 1.315 1185 S CA -0.823 57.380 58.200 0.005 0.000 1.050 1185 S CB 0.119 63.322 63.200 0.004 0.000 0.918 1185 S HN 0.651 nan 8.310 nan 0.000 0.497 1186 L N 3.035 124.265 121.223 0.012 0.000 2.313 1186 L HA 0.220 4.560 4.340 -0.000 0.000 0.214 1186 L C 0.971 177.840 176.870 -0.002 0.000 1.119 1186 L CA 0.319 55.164 54.840 0.009 0.000 0.809 1186 L CB -0.331 41.747 42.059 0.032 0.000 0.933 1186 L HN 0.626 nan 8.230 nan 0.000 0.449 1187 N N -0.782 117.919 118.700 0.001 0.000 2.932 1187 N HA 0.119 4.859 4.740 -0.000 0.000 0.242 1187 N C -2.292 173.220 175.510 0.003 0.000 1.351 1187 N CA -1.063 51.987 53.050 0.001 0.000 0.785 1187 N CB 1.420 39.909 38.487 0.003 0.000 1.501 1187 N HN -0.285 nan 8.380 nan 0.000 0.584 1188 P HA -0.087 nan 4.420 nan 0.000 0.218 1188 P C 1.064 178.362 177.300 -0.004 0.000 1.148 1188 P CA 1.027 64.124 63.100 -0.004 0.000 0.822 1188 P CB 0.380 32.074 31.700 -0.010 0.000 0.784 1189 A N -0.005 122.816 122.820 0.001 0.000 1.873 1189 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 1189 A C 2.151 179.745 177.584 0.017 0.000 1.186 1189 A CA 1.409 53.449 52.037 0.005 0.000 0.616 1189 A CB -1.371 17.637 19.000 0.012 0.000 0.823 1189 A HN 0.005 nan 8.150 nan 0.000 0.442 1190 I N 0.896 121.482 120.570 0.027 0.000 2.226 1190 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 1190 I C 1.709 177.845 176.117 0.033 0.000 1.100 1190 I CA 1.459 62.783 61.300 0.041 0.000 1.374 1190 I CB -1.445 36.578 38.000 0.038 0.000 1.057 1190 I HN 0.261 nan 8.210 nan 0.000 0.413 1191 D N 0.312 120.724 120.400 0.020 0.000 2.149 1191 D HA -0.043 4.597 4.640 -0.000 0.000 0.201 1191 D C 2.436 178.742 176.300 0.009 0.000 0.972 1191 D CA 0.839 54.850 54.000 0.019 0.000 0.835 1191 D CB -0.055 40.754 40.800 0.016 0.000 0.966 1191 D HN 0.285 nan 8.370 nan 0.000 0.476 1192 I N 0.805 121.371 120.570 -0.007 0.000 2.226 1192 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 1192 I C 2.411 178.508 176.117 -0.033 0.000 1.100 1192 I CA 1.298 62.578 61.300 -0.034 0.000 1.374 1192 I CB -0.298 37.669 38.000 -0.054 0.000 1.057 1192 I HN 0.028 nan 8.210 nan 0.000 0.413 1193 G N -0.317 108.479 108.800 -0.007 0.000 2.443 1193 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.219 1193 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.219 1193 G C 1.587 176.514 174.900 0.046 0.000 1.131 1193 G CA 0.235 45.343 45.100 0.013 0.000 0.775 1193 G HN 0.277 nan 8.290 nan 0.000 0.547 1194 Q N 0.192 120.023 119.800 0.051 0.000 2.083 1194 Q HA 0.003 4.343 4.340 -0.000 0.000 0.198 1194 Q C 2.980 179.025 176.000 0.076 0.000 0.969 1194 Q CA 0.771 56.617 55.803 0.071 0.000 0.838 1194 Q CB -0.600 28.174 28.738 0.059 0.000 0.900 1194 Q HN 0.403 nan 8.270 nan 0.000 0.436 1195 V N 1.720 121.665 119.914 0.052 0.000 2.287 1195 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 1195 V C 2.129 178.301 176.094 0.130 0.000 1.053 1195 V CA 2.053 64.394 62.300 0.069 0.000 1.027 1195 V CB -0.574 31.260 31.823 0.019 0.000 0.646 1195 V HN 0.397 nan 8.190 nan 0.000 0.447 1196 E N 0.316 120.562 120.200 0.076 0.000 2.110 1196 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 1196 E C 2.326 179.092 176.600 0.276 0.000 0.988 1196 E CA 1.225 57.727 56.400 0.170 0.000 0.804 1196 E CB -0.501 29.169 29.700 -0.050 0.000 0.745 1196 E HN 0.657 nan 8.360 nan 0.000 0.458 1197 G N 1.373 110.273 108.800 0.167 0.000 2.414 1197 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 1197 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 1197 G C 1.728 176.707 174.900 0.131 0.000 1.188 1197 G CA 0.878 46.065 45.100 0.145 0.000 0.783 1197 G HN 0.347 nan 8.290 nan 0.000 0.537 1198 A N 0.311 123.216 122.820 0.143 0.000 1.902 1198 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 1198 A C 2.191 179.847 177.584 0.120 0.000 1.181 1198 A CA 1.619 53.721 52.037 0.110 0.000 0.623 1198 A CB -0.570 18.488 19.000 0.098 0.000 0.818 1198 A HN 0.418 nan 8.150 nan 0.000 0.443 1199 F N 0.808 120.805 119.950 0.078 0.000 2.102 1199 F HA -0.152 4.374 4.527 -0.000 0.000 0.298 1199 F C 2.169 177.993 175.800 0.040 0.000 1.105 1199 F CA 2.061 60.113 58.000 0.087 0.000 1.239 1199 F CB -0.308 38.794 39.000 0.171 0.000 0.991 1199 F HN 0.015 nan 8.300 nan 0.000 0.474 1200 V N 0.310 120.293 119.914 0.115 0.000 2.594 1200 V HA -0.302 3.818 4.120 -0.000 0.000 0.253 1200 V C 2.274 178.256 176.094 -0.185 0.000 1.069 1200 V CA 2.112 64.365 62.300 -0.078 0.000 1.082 1200 V CB -0.777 31.080 31.823 0.056 0.000 0.680 1200 V HN 0.453 nan 8.190 nan 0.000 0.469 1201 Q N -0.371 119.339 119.800 -0.149 0.000 2.245 1201 Q HA -0.046 4.294 4.340 -0.000 0.000 0.201 1201 Q C 2.301 178.121 176.000 -0.301 0.000 0.955 1201 Q CA 1.210 56.894 55.803 -0.198 0.000 0.870 1201 Q CB -0.169 28.480 28.738 -0.149 0.000 0.945 1201 Q HN 0.721 nan 8.270 nan 0.000 0.461 1202 G N 0.787 109.404 108.800 -0.305 0.000 2.430 1202 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 1202 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 1202 G C 1.373 176.072 174.900 -0.334 0.000 1.146 1202 G CA 0.470 45.347 45.100 -0.371 0.000 0.793 1202 G HN 0.333 nan 8.290 nan 0.000 0.537 1203 L N 1.672 122.665 121.223 -0.383 0.000 2.083 1203 L HA 0.209 4.549 4.340 -0.000 0.000 0.209 1203 L C 2.374 179.115 176.870 -0.214 0.000 1.083 1203 L CA 2.396 57.053 54.840 -0.305 0.000 0.752 1203 L CB -1.281 40.488 42.059 -0.482 0.000 0.899 1203 L HN 0.077 nan 8.230 nan 0.000 0.433 1204 G N 0.101 108.741 108.800 -0.267 0.000 2.404 1204 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 1204 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 1204 G C 1.575 176.288 174.900 -0.312 0.000 1.174 1204 G CA 0.889 45.831 45.100 -0.264 0.000 0.780 1204 G HN 0.462 nan 8.290 nan 0.000 0.537 1205 L N -0.125 120.824 121.223 -0.458 0.000 2.021 1205 L HA -0.027 4.312 4.340 -0.000 0.000 0.215 1205 L C 2.386 178.926 176.870 -0.550 0.000 1.074 1205 L CA 1.823 56.281 54.840 -0.636 0.000 0.760 1205 L CB -0.580 40.859 42.059 -1.032 0.000 0.889 1205 L HN 0.293 nan 8.230 nan 0.000 0.433 1206 F N -1.776 118.029 119.950 -0.243 0.000 2.698 1206 F HA 0.066 4.593 4.527 -0.000 0.000 0.295 1206 F C 1.712 177.505 175.800 -0.013 0.000 1.124 1206 F CA 0.583 58.466 58.000 -0.195 0.000 1.426 1206 F CB -0.036 38.851 39.000 -0.188 0.000 1.120 1206 F HN 0.289 nan 8.300 nan 0.000 0.583 1207 T N -4.208 110.397 114.554 0.086 0.000 3.253 1207 T HA 0.266 4.616 4.350 -0.000 0.000 0.299 1207 T C 0.548 175.258 174.700 0.015 0.000 0.927 1207 T CA 0.044 62.178 62.100 0.056 0.000 0.926 1207 T CB 0.226 69.118 68.868 0.040 0.000 1.183 1207 T HN 0.060 nan 8.240 nan 0.000 0.557 1208 L N 0.027 121.211 121.223 -0.065 0.000 2.481 1208 L HA 0.529 4.868 4.340 -0.000 0.000 0.253 1208 L C -0.230 176.506 176.870 -0.224 0.000 1.071 1208 L CA 0.462 55.227 54.840 -0.124 0.000 1.189 1208 L CB 0.505 42.469 42.059 -0.157 0.000 2.356 1208 L HN 0.189 nan 8.230 nan 0.000 0.545 1209 E N 1.586 121.616 120.200 -0.283 0.000 2.194 1209 E HA 0.360 4.710 4.350 -0.000 0.000 0.284 1209 E C -0.393 176.098 176.600 -0.181 0.000 1.035 1209 E CA -0.022 56.104 56.400 -0.456 0.000 0.836 1209 E CB 0.957 30.385 29.700 -0.453 0.000 1.070 1209 E HN 0.105 nan 8.360 nan 0.000 0.401 1210 E N 4.844 124.986 120.200 -0.098 0.000 2.274 1210 E HA 0.232 4.581 4.350 -0.000 0.000 0.269 1210 E C -1.406 175.381 176.600 0.312 0.000 0.891 1210 E CA -0.563 55.916 56.400 0.132 0.000 0.784 1210 E CB 1.000 30.744 29.700 0.073 0.000 1.225 1210 E HN 0.395 nan 8.360 nan 0.000 0.412 1211 L N 3.695 125.111 121.223 0.321 0.000 2.312 1211 L HA 0.429 4.769 4.340 -0.000 0.000 0.281 1211 L C -0.412 176.571 176.870 0.188 0.000 1.070 1211 L CA -0.796 54.167 54.840 0.205 0.000 0.805 1211 L CB 1.033 43.179 42.059 0.145 0.000 1.174 1211 L HN 0.578 nan 8.230 nan 0.000 0.434 1212 H N 2.418 121.422 119.070 -0.109 0.000 2.924 1212 H HA 0.429 4.985 4.556 -0.000 0.000 0.333 1212 H C -1.618 173.620 175.328 -0.149 0.000 0.979 1212 H CA -0.549 55.513 56.048 0.022 0.000 1.326 1212 H CB 0.705 30.538 29.762 0.118 0.000 1.600 1212 H HN 0.294 nan 8.280 nan 0.000 0.520 1213 Y N 2.283 122.495 120.300 -0.146 0.000 2.387 1213 Y HA 0.316 4.866 4.550 -0.000 0.000 0.330 1213 Y C 1.089 176.765 175.900 -0.372 0.000 1.133 1213 Y CA -0.330 57.607 58.100 -0.272 0.000 1.152 1213 Y CB 1.461 39.853 38.460 -0.114 0.000 1.215 1213 Y HN 0.753 nan 8.280 nan 0.000 0.466 1214 S N 2.304 117.772 115.700 -0.387 0.000 2.598 1214 S HA 0.106 4.576 4.470 -0.000 0.000 0.256 1214 S C -1.823 172.777 174.600 0.001 0.000 1.350 1214 S CA -0.846 57.275 58.200 -0.132 0.000 0.984 1214 S CB 0.660 63.754 63.200 -0.177 0.000 0.930 1214 S HN 0.526 nan 8.310 nan 0.000 0.577 1215 P HA 0.116 nan 4.420 nan 0.000 0.225 1215 P C 0.514 177.816 177.300 0.003 0.000 1.156 1215 P CA 0.809 63.925 63.100 0.026 0.000 0.787 1215 P CB -0.111 31.611 31.700 0.036 0.000 0.802 1216 E N -0.742 119.455 120.200 -0.005 0.000 2.511 1216 E HA 0.234 4.584 4.350 -0.000 0.000 0.196 1216 E C 1.356 177.942 176.600 -0.023 0.000 1.066 1216 E CA 0.721 57.111 56.400 -0.017 0.000 0.871 1216 E CB -0.915 28.773 29.700 -0.022 0.000 0.863 1216 E HN 0.239 nan 8.360 nan 0.000 0.520 1217 G N 0.428 109.219 108.800 -0.015 0.000 2.141 1217 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.231 1217 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.231 1217 G C 0.286 175.227 174.900 0.069 0.000 0.984 1217 G CA 0.290 45.391 45.100 0.000 0.000 0.660 1217 G HN 0.307 nan 8.290 nan 0.000 0.525 1218 S N -0.044 115.654 115.700 -0.004 0.000 2.438 1218 S HA 0.655 5.125 4.470 -0.000 0.000 0.293 1218 S C 0.363 174.842 174.600 -0.202 0.000 1.141 1218 S CA -0.596 57.568 58.200 -0.061 0.000 1.080 1218 S CB 1.051 64.186 63.200 -0.108 0.000 0.978 1218 S HN 1.306 nan 8.310 nan 0.000 0.479 1219 L N 6.336 127.470 121.223 -0.149 0.000 2.455 1219 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 1219 L C 1.102 177.761 176.870 -0.351 0.000 1.174 1219 L CA 0.664 55.261 54.840 -0.405 0.000 0.869 1219 L CB 0.299 42.169 42.059 -0.316 0.000 1.130 1219 L HN 0.823 nan 8.230 nan 0.000 0.474 1220 H N 1.757 120.685 119.070 -0.236 0.000 2.431 1220 H HA 0.088 4.644 4.556 -0.000 0.000 0.295 1220 H C 0.250 175.564 175.328 -0.023 0.000 1.038 1220 H CA 1.078 57.068 56.048 -0.097 0.000 1.360 1220 H CB -0.051 29.670 29.762 -0.068 0.000 1.433 1220 H HN 0.683 nan 8.280 nan 0.000 0.536 1221 T N 0.356 114.948 114.554 0.064 0.000 2.875 1221 T HA 0.426 4.776 4.350 -0.000 0.000 0.307 1221 T C 0.720 175.443 174.700 0.038 0.000 1.013 1221 T CA -0.659 61.507 62.100 0.110 0.000 0.970 1221 T CB 0.595 69.573 68.868 0.183 0.000 0.986 1221 T HN 0.199 nan 8.240 nan 0.000 0.536 1222 R N 1.900 122.444 120.500 0.074 0.000 2.659 1222 R HA 0.458 4.798 4.340 -0.000 0.000 0.418 1222 R C 0.524 176.881 176.300 0.094 0.000 1.076 1222 R CA -0.605 55.523 56.100 0.048 0.000 1.093 1222 R CB 1.265 31.589 30.300 0.039 0.000 1.400 1222 R HN 0.806 nan 8.270 nan 0.000 0.583 1223 G N 0.472 109.376 108.800 0.173 0.000 2.523 1223 G HA2 0.191 4.151 3.960 -0.000 0.000 0.291 1223 G HA3 0.191 4.151 3.960 -0.000 0.000 0.291 1223 G C -2.621 172.472 174.900 0.323 0.000 1.450 1223 G CA -0.788 44.448 45.100 0.227 0.000 0.790 1223 G HN -0.301 nan 8.290 nan 0.000 0.496 1224 P HA -0.099 nan 4.420 nan 0.000 0.222 1224 P C 1.978 179.341 177.300 0.106 0.000 1.147 1224 P CA 1.903 65.127 63.100 0.207 0.000 0.790 1224 P CB 0.125 31.947 31.700 0.202 0.000 0.780 1225 S N -0.058 115.708 115.700 0.110 0.000 2.368 1225 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 1225 S C 1.915 176.555 174.600 0.068 0.000 1.030 1225 S CA 2.039 60.282 58.200 0.070 0.000 0.999 1225 S CB -1.927 61.314 63.200 0.067 0.000 0.844 1225 S HN 0.352 nan 8.310 nan 0.000 0.459 1226 T N -3.431 111.190 114.554 0.111 0.000 3.022 1226 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 1226 T C -0.096 174.705 174.700 0.169 0.000 1.060 1226 T CA -0.364 61.807 62.100 0.119 0.000 1.013 1226 T CB -0.322 68.628 68.868 0.136 0.000 0.982 1226 T HN 0.444 nan 8.240 nan 0.000 0.508 1227 Y N 2.237 122.558 120.300 0.034 0.000 2.332 1227 Y HA 0.522 5.072 4.550 -0.000 0.000 0.326 1227 Y C -1.262 174.589 175.900 -0.080 0.000 0.978 1227 Y CA -1.488 56.618 58.100 0.010 0.000 1.205 1227 Y CB 1.191 39.698 38.460 0.078 0.000 1.131 1227 Y HN -0.180 nan 8.280 nan 0.000 0.462 1228 K N 8.744 128.869 120.400 -0.458 0.000 2.299 1228 K HA 0.304 4.624 4.320 -0.000 0.000 0.268 1228 K C -0.091 176.190 176.600 -0.532 0.000 1.075 1228 K CA -0.383 55.671 56.287 -0.388 0.000 0.936 1228 K CB 0.626 32.982 32.500 -0.240 0.000 1.228 1228 K HN 0.857 nan 8.250 nan 0.000 0.454 1229 I N -0.395 119.863 120.570 -0.519 0.000 2.823 1229 I HA 0.353 4.522 4.170 -0.000 0.000 0.290 1229 I C -2.030 173.910 176.117 -0.294 0.000 1.091 1229 I CA -2.258 58.786 61.300 -0.426 0.000 1.365 1229 I CB 0.166 37.892 38.000 -0.457 0.000 1.427 1229 I HN 0.187 nan 8.210 nan 0.000 0.583 1230 P HA 0.159 nan 4.420 nan 0.000 0.266 1230 P C -0.749 176.458 177.300 -0.154 0.000 1.195 1230 P CA -0.028 62.964 63.100 -0.180 0.000 0.768 1230 P CB 0.638 32.239 31.700 -0.166 0.000 0.838 1231 A N 1.960 124.715 122.820 -0.109 0.000 2.282 1231 A HA 0.505 4.824 4.320 -0.000 0.000 0.324 1231 A C 0.771 178.349 177.584 -0.010 0.000 1.119 1231 A CA -0.549 51.465 52.037 -0.038 0.000 0.880 1231 A CB 0.004 19.003 19.000 -0.002 0.000 1.294 1231 A HN 0.416 nan 8.150 nan 0.000 0.493 1232 F N 0.542 120.479 119.950 -0.022 0.000 2.120 1232 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 1232 F C 2.515 178.307 175.800 -0.013 0.000 1.095 1232 F CA 2.549 60.548 58.000 -0.002 0.000 1.249 1232 F CB -0.264 38.739 39.000 0.004 0.000 0.995 1232 F HN 0.637 nan 8.300 nan 0.000 0.480 1233 G N -1.841 107.054 108.800 0.159 0.000 2.776 1233 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.209 1233 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.209 1233 G C 1.466 176.357 174.900 -0.015 0.000 1.145 1233 G CA 0.783 45.918 45.100 0.058 0.000 0.791 1233 G HN 0.340 nan 8.290 nan 0.000 0.530 1234 S N 0.115 115.791 115.700 -0.039 0.000 2.458 1234 S HA 0.138 4.608 4.470 -0.000 0.000 0.223 1234 S C 1.248 175.783 174.600 -0.107 0.000 1.019 1234 S CA -0.271 57.872 58.200 -0.095 0.000 0.937 1234 S CB -0.061 63.073 63.200 -0.110 0.000 0.788 1234 S HN 0.612 nan 8.310 nan 0.000 0.511 1235 I N 0.853 121.369 120.570 -0.090 0.000 2.754 1235 I HA 0.283 4.453 4.170 -0.000 0.000 0.285 1235 I C -2.865 173.157 176.117 -0.159 0.000 1.166 1235 I CA -2.248 58.956 61.300 -0.160 0.000 1.417 1235 I CB -0.301 37.653 38.000 -0.076 0.000 1.382 1235 I HN -0.166 nan 8.210 nan 0.000 0.588 1236 P HA -0.031 nan 4.420 nan 0.000 0.263 1236 P C 0.534 177.808 177.300 -0.044 0.000 1.175 1236 P CA 0.325 63.328 63.100 -0.162 0.000 0.761 1236 P CB 0.462 32.010 31.700 -0.254 0.000 0.794 1237 T N 0.862 115.405 114.554 -0.018 0.000 2.833 1237 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 1237 T C 0.708 175.438 174.700 0.051 0.000 1.054 1237 T CA 1.482 63.592 62.100 0.017 0.000 1.135 1237 T CB -0.167 68.700 68.868 -0.002 0.000 0.869 1237 T HN 0.357 nan 8.240 nan 0.000 0.466 1238 E N 0.242 120.474 120.200 0.052 0.000 2.185 1238 E HA 0.384 4.734 4.350 -0.000 0.000 0.261 1238 E C -1.785 174.905 176.600 0.149 0.000 0.879 1238 E CA -0.672 55.775 56.400 0.077 0.000 0.756 1238 E CB 0.839 30.559 29.700 0.034 0.000 1.152 1238 E HN 0.364 nan 8.360 nan 0.000 0.416 1239 F N 5.148 125.073 119.950 -0.041 0.000 2.646 1239 F HA 0.439 4.965 4.527 -0.000 0.000 0.364 1239 F C -0.301 175.451 175.800 -0.081 0.000 1.137 1239 F CA -0.781 57.178 58.000 -0.069 0.000 1.085 1239 F CB 0.602 39.579 39.000 -0.039 0.000 1.331 1239 F HN 0.156 nan 8.300 nan 0.000 0.472 1240 R N 4.705 125.242 120.500 0.061 0.000 2.460 1240 R HA 0.719 5.059 4.340 -0.000 0.000 0.303 1240 R C -1.382 174.837 176.300 -0.135 0.000 0.968 1240 R CA -1.013 55.041 56.100 -0.075 0.000 0.889 1240 R CB 2.714 32.991 30.300 -0.038 0.000 1.123 1240 R HN 0.305 nan 8.270 nan 0.000 0.455 1241 V N 1.597 121.406 119.914 -0.176 0.000 2.709 1241 V HA 0.408 4.527 4.120 -0.000 0.000 0.308 1241 V C -0.621 175.413 176.094 -0.100 0.000 1.062 1241 V CA -0.634 61.574 62.300 -0.155 0.000 0.901 1241 V CB 2.378 34.076 31.823 -0.208 0.000 1.003 1241 V HN 0.812 nan 8.190 nan 0.000 0.425 1242 S N 4.618 120.277 115.700 -0.068 0.000 2.536 1242 S HA 0.729 5.199 4.470 -0.000 0.000 0.287 1242 S C -0.883 173.701 174.600 -0.027 0.000 1.101 1242 S CA -0.625 57.548 58.200 -0.044 0.000 0.950 1242 S CB 1.691 64.870 63.200 -0.036 0.000 1.056 1242 S HN 0.522 nan 8.310 nan 0.000 0.481 1243 L N 2.619 123.831 121.223 -0.018 0.000 2.295 1243 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 1243 L C -0.333 176.538 176.870 0.003 0.000 1.035 1243 L CA -0.973 53.865 54.840 -0.003 0.000 0.806 1243 L CB 0.890 42.947 42.059 -0.002 0.000 1.214 1243 L HN 0.493 nan 8.230 nan 0.000 0.426 1244 L N 4.363 125.594 121.223 0.014 0.000 2.559 1244 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 1244 L C 0.383 177.260 176.870 0.012 0.000 1.205 1244 L CA 0.692 55.542 54.840 0.016 0.000 0.907 1244 L CB 0.066 42.143 42.059 0.030 0.000 1.153 1244 L HN 0.502 nan 8.230 nan 0.000 0.490 1245 R N 4.037 124.541 120.500 0.007 0.000 2.500 1245 R HA 0.282 4.622 4.340 -0.000 0.000 0.275 1245 R C -0.368 175.935 176.300 0.006 0.000 1.051 1245 R CA -0.525 55.578 56.100 0.004 0.000 1.088 1245 R CB 0.503 30.803 30.300 0.000 0.000 1.063 1245 R HN 0.728 nan 8.270 nan 0.000 0.511 1246 D N 0.476 120.879 120.400 0.004 0.000 2.718 1246 D HA -0.129 4.510 4.640 -0.000 0.000 0.242 1246 D C -0.324 175.980 176.300 0.006 0.000 1.123 1246 D CA 0.916 54.918 54.000 0.004 0.000 0.690 1246 D CB -1.494 39.309 40.800 0.005 0.000 1.059 1246 D HN 0.750 nan 8.370 nan 0.000 0.429 1247 C N -2.992 116.311 119.300 0.006 0.000 3.151 1247 C HA 0.376 4.836 4.460 -0.000 0.000 0.249 1247 C C -2.493 172.496 174.990 -0.002 0.000 2.249 1247 C CA -1.840 57.184 59.018 0.010 0.000 1.517 1247 C CB -0.280 27.474 27.740 0.024 0.000 2.989 1247 C HN -0.025 nan 8.230 nan 0.000 0.476 1248 P HA -0.098 nan 4.420 nan 0.000 0.255 1248 P C 0.060 177.324 177.300 -0.061 0.000 1.132 1248 P CA 1.312 64.392 63.100 -0.033 0.000 0.766 1248 P CB 0.259 31.945 31.700 -0.024 0.000 0.715 1249 N N 3.694 122.327 118.700 -0.112 0.000 2.420 1249 N HA -0.005 4.735 4.740 -0.000 0.000 0.262 1249 N C 1.084 176.482 175.510 -0.186 0.000 1.144 1249 N CA 0.206 53.129 53.050 -0.211 0.000 0.952 1249 N CB 0.397 38.652 38.487 -0.386 0.000 1.081 1249 N HN 0.174 nan 8.380 nan 0.000 0.480 1250 K N 2.948 123.256 120.400 -0.153 0.000 2.001 1250 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 1250 K C 1.138 177.650 176.600 -0.146 0.000 1.048 1250 K CA 0.931 57.148 56.287 -0.116 0.000 0.932 1250 K CB 0.007 32.463 32.500 -0.074 0.000 0.715 1250 K HN 0.500 nan 8.250 nan 0.000 0.437 1251 K N 0.507 120.775 120.400 -0.219 0.000 2.304 1251 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 1251 K C 1.008 177.550 176.600 -0.097 0.000 1.044 1251 K CA 0.950 57.085 56.287 -0.254 0.000 0.932 1251 K CB -0.277 31.852 32.500 -0.618 0.000 0.735 1251 K HN 0.186 nan 8.250 nan 0.000 0.468 1252 A N 0.440 123.134 122.820 -0.209 0.000 2.479 1252 A HA 0.479 4.799 4.320 -0.000 0.000 0.296 1252 A C -0.679 176.784 177.584 -0.202 0.000 1.121 1252 A CA -0.902 51.042 52.037 -0.154 0.000 0.743 1252 A CB 0.996 19.892 19.000 -0.174 0.000 1.323 1252 A HN 0.068 nan 8.150 nan 0.000 0.415 1253 I N 1.069 121.494 120.570 -0.242 0.000 2.919 1253 I HA 0.009 4.179 4.170 -0.000 0.000 0.299 1253 I C 0.133 176.127 176.117 -0.206 0.000 1.221 1253 I CA 1.304 62.386 61.300 -0.364 0.000 1.424 1253 I CB -1.209 36.571 38.000 -0.368 0.000 1.358 1253 I HN 0.610 nan 8.210 nan 0.000 0.551 1254 Y N 5.708 125.902 120.300 -0.178 0.000 3.396 1254 Y HA -0.285 4.265 4.550 -0.000 0.000 0.214 1254 Y C 1.437 177.273 175.900 -0.107 0.000 1.203 1254 Y CA 0.468 58.491 58.100 -0.128 0.000 1.401 1254 Y CB -1.734 36.669 38.460 -0.095 0.000 1.409 1254 Y HN 0.975 nan 8.280 nan 0.000 0.594 1255 A N -1.222 121.586 122.820 -0.020 0.000 2.899 1255 A HA -0.268 4.051 4.320 -0.000 0.000 0.257 1255 A C 0.992 178.532 177.584 -0.073 0.000 1.335 1255 A CA 1.062 53.062 52.037 -0.061 0.000 0.924 1255 A CB -1.968 17.015 19.000 -0.028 0.000 1.105 1255 A HN 1.297 nan 8.150 nan 0.000 0.765 1256 S N -1.007 114.657 115.700 -0.060 0.000 2.655 1256 S HA 0.739 5.209 4.470 -0.000 0.000 0.265 1256 S C -0.108 174.436 174.600 -0.092 0.000 1.240 1256 S CA -0.079 58.095 58.200 -0.044 0.000 0.986 1256 S CB 1.387 64.587 63.200 0.000 0.000 0.985 1256 S HN 0.541 nan 8.310 nan 0.000 0.562 1257 K N -0.035 120.356 120.400 -0.015 0.000 2.375 1257 K HA 0.644 4.964 4.320 -0.000 0.000 0.249 1257 K C -0.501 176.193 176.600 0.158 0.000 0.942 1257 K CA -0.862 55.480 56.287 0.092 0.000 0.806 1257 K CB 2.055 34.643 32.500 0.146 0.000 1.227 1257 K HN 0.861 nan 8.250 nan 0.000 0.430 1258 A N 1.158 124.132 122.820 0.256 0.000 2.587 1258 A HA 0.015 4.335 4.320 -0.000 0.000 0.235 1258 A C 0.651 178.270 177.584 0.058 0.000 1.044 1258 A CA 0.241 52.341 52.037 0.106 0.000 0.754 1258 A CB 0.211 19.229 19.000 0.029 0.000 0.968 1258 A HN 0.559 nan 8.150 nan 0.000 0.509 1259 V N 2.653 122.577 119.914 0.018 0.000 3.411 1259 V HA 0.247 4.367 4.120 -0.000 0.000 0.287 1259 V C 1.621 177.701 176.094 -0.024 0.000 1.543 1259 V CA 1.380 63.683 62.300 0.005 0.000 1.028 1259 V CB -0.049 31.789 31.823 0.025 0.000 0.840 1259 V HN 1.099 nan 8.190 nan 0.000 0.435 1260 G N 0.116 108.893 108.800 -0.039 0.000 2.434 1260 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.214 1260 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.214 1260 G C 1.198 176.059 174.900 -0.064 0.000 1.202 1260 G CA 1.209 46.298 45.100 -0.019 0.000 0.788 1260 G HN 0.563 nan 8.290 nan 0.000 0.539 1261 E N 0.486 120.565 120.200 -0.202 0.000 2.190 1261 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 1261 E C -0.204 176.014 176.600 -0.637 0.000 0.978 1261 E CA 0.071 56.246 56.400 -0.376 0.000 0.839 1261 E CB -0.031 29.364 29.700 -0.509 0.000 0.787 1261 E HN 0.289 nan 8.360 nan 0.000 0.473 1262 P HA -0.171 nan 4.420 nan 0.000 0.216 1262 P C -1.638 175.604 177.300 -0.097 0.000 1.157 1262 P CA 1.892 64.717 63.100 -0.458 0.000 0.880 1262 P CB -0.817 30.778 31.700 -0.175 0.000 0.791 1263 P HA -0.061 nan 4.420 nan 0.000 0.226 1263 P C 1.579 178.973 177.300 0.157 0.000 1.153 1263 P CA 0.632 63.796 63.100 0.108 0.000 0.777 1263 P CB -0.432 31.337 31.700 0.115 0.000 0.794 1264 L N -1.184 120.087 121.223 0.080 0.000 2.012 1264 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 1264 L C 2.233 179.203 176.870 0.166 0.000 1.073 1264 L CA 1.737 56.625 54.840 0.080 0.000 0.748 1264 L CB -0.809 41.255 42.059 0.009 0.000 0.891 1264 L HN -0.109 nan 8.230 nan 0.000 0.431 1265 F N 0.108 120.136 119.950 0.130 0.000 2.269 1265 F HA -0.192 4.334 4.527 -0.000 0.000 0.301 1265 F C 1.872 177.838 175.800 0.275 0.000 1.082 1265 F CA 1.338 59.491 58.000 0.256 0.000 1.360 1265 F CB -0.319 38.820 39.000 0.231 0.000 1.041 1265 F HN 0.018 nan 8.300 nan 0.000 0.512 1266 L N -0.042 121.228 121.223 0.078 0.000 2.450 1266 L HA -0.121 4.219 4.340 -0.000 0.000 0.224 1266 L C 2.575 179.520 176.870 0.124 0.000 1.149 1266 L CA 0.803 55.687 54.840 0.072 0.000 0.816 1266 L CB -1.465 40.769 42.059 0.291 0.000 0.932 1266 L HN 0.340 nan 8.230 nan 0.000 0.449 1267 G N -0.197 108.558 108.800 -0.075 0.000 2.509 1267 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 1267 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 1267 G C 1.676 176.476 174.900 -0.165 0.000 1.124 1267 G CA 0.669 45.503 45.100 -0.443 0.000 0.776 1267 G HN 0.475 nan 8.290 nan 0.000 0.547 1268 A N 1.183 123.788 122.820 -0.358 0.000 2.168 1268 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 1268 A C 2.615 180.125 177.584 -0.124 0.000 1.152 1268 A CA 1.778 53.418 52.037 -0.662 0.000 0.716 1268 A CB -0.463 17.819 19.000 -1.197 0.000 0.794 1268 A HN 0.646 nan 8.150 nan 0.000 0.465 1269 S N -0.291 115.391 115.700 -0.031 0.000 2.419 1269 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 1269 S C 1.658 176.328 174.600 0.117 0.000 1.019 1269 S CA 1.525 59.794 58.200 0.115 0.000 0.982 1269 S CB -0.734 62.548 63.200 0.137 0.000 0.789 1269 S HN 0.250 nan 8.310 nan 0.000 0.490 1270 V N 0.664 120.620 119.914 0.070 0.000 2.453 1270 V HA -0.000 4.120 4.120 -0.000 0.000 0.247 1270 V C 2.039 178.102 176.094 -0.052 0.000 1.048 1270 V CA 1.716 64.031 62.300 0.026 0.000 1.049 1270 V CB -0.996 30.834 31.823 0.010 0.000 0.672 1270 V HN 0.563 nan 8.190 nan 0.000 0.457 1271 F N 0.549 120.360 119.950 -0.232 0.000 2.102 1271 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 1271 F C 2.003 177.543 175.800 -0.433 0.000 1.105 1271 F CA 1.875 59.643 58.000 -0.386 0.000 1.239 1271 F CB -0.282 38.353 39.000 -0.608 0.000 0.991 1271 F HN 0.140 nan 8.300 nan 0.000 0.474 1272 F N -0.123 119.897 119.950 0.116 0.000 2.367 1272 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 1272 F C 2.418 178.198 175.800 -0.032 0.000 1.094 1272 F CA 0.653 58.677 58.000 0.041 0.000 1.409 1272 F CB -0.906 38.126 39.000 0.053 0.000 1.064 1272 F HN 0.053 nan 8.300 nan 0.000 0.528 1273 A N 0.549 123.420 122.820 0.083 0.000 1.898 1273 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 1273 A C 2.172 179.723 177.584 -0.054 0.000 1.181 1273 A CA 1.399 53.453 52.037 0.027 0.000 0.620 1273 A CB -0.946 18.069 19.000 0.024 0.000 0.819 1273 A HN 0.371 nan 8.150 nan 0.000 0.442 1274 I N -0.633 119.834 120.570 -0.171 0.000 2.226 1274 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 1274 I C 2.545 178.548 176.117 -0.190 0.000 1.100 1274 I CA 1.645 62.800 61.300 -0.242 0.000 1.374 1274 I CB -0.192 37.544 38.000 -0.441 0.000 1.057 1274 I HN 0.332 nan 8.210 nan 0.000 0.413 1275 K N 0.760 121.015 120.400 -0.240 0.000 2.097 1275 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 1275 K C 1.622 178.270 176.600 0.080 0.000 1.049 1275 K CA 1.848 58.083 56.287 -0.087 0.000 0.933 1275 K CB -0.042 32.383 32.500 -0.125 0.000 0.717 1275 K HN 0.185 nan 8.250 nan 0.000 0.442 1276 D N 0.136 120.573 120.400 0.063 0.000 2.104 1276 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 1276 D C 1.675 178.018 176.300 0.071 0.000 0.994 1276 D CA 1.507 55.557 54.000 0.083 0.000 0.830 1276 D CB -0.109 40.733 40.800 0.068 0.000 0.959 1276 D HN 0.327 nan 8.370 nan 0.000 0.452 1277 A N 0.184 123.026 122.820 0.037 0.000 1.898 1277 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 1277 A C 2.331 179.945 177.584 0.049 0.000 1.181 1277 A CA 0.825 52.884 52.037 0.037 0.000 0.620 1277 A CB -0.658 18.350 19.000 0.012 0.000 0.819 1277 A HN 0.218 nan 8.150 nan 0.000 0.442 1278 I N -0.832 119.769 120.570 0.050 0.000 2.163 1278 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 1278 I C 2.775 178.912 176.117 0.034 0.000 1.085 1278 I CA 1.487 62.811 61.300 0.039 0.000 1.347 1278 I CB -0.427 37.618 38.000 0.075 0.000 1.044 1278 I HN 0.321 nan 8.210 nan 0.000 0.408 1279 R N 0.707 121.299 120.500 0.152 0.000 2.119 1279 R HA -0.219 4.121 4.340 -0.000 0.000 0.246 1279 R C 2.364 178.704 176.300 0.067 0.000 1.146 1279 R CA 1.771 57.966 56.100 0.159 0.000 0.962 1279 R CB -0.551 29.879 30.300 0.216 0.000 0.863 1279 R HN 0.410 nan 8.270 nan 0.000 0.442 1280 A N 0.571 123.424 122.820 0.055 0.000 2.067 1280 A HA -0.032 4.287 4.320 -0.000 0.000 0.219 1280 A C 2.199 179.776 177.584 -0.012 0.000 1.158 1280 A CA 1.556 53.607 52.037 0.023 0.000 0.661 1280 A CB -0.289 18.734 19.000 0.038 0.000 0.801 1280 A HN 0.426 nan 8.150 nan 0.000 0.452 1281 A N -0.289 122.535 122.820 0.007 0.000 1.911 1281 A HA 0.052 4.372 4.320 -0.000 0.000 0.212 1281 A C 2.175 179.762 177.584 0.006 0.000 1.189 1281 A CA 0.923 52.974 52.037 0.023 0.000 0.639 1281 A CB -0.294 18.759 19.000 0.089 0.000 0.839 1281 A HN 0.479 nan 8.150 nan 0.000 0.449 1282 R N -0.069 120.415 120.500 -0.026 0.000 2.081 1282 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 1282 R C 2.423 178.701 176.300 -0.038 0.000 1.131 1282 R CA 1.166 57.238 56.100 -0.047 0.000 0.960 1282 R CB -0.480 29.738 30.300 -0.136 0.000 0.856 1282 R HN 0.481 nan 8.270 nan 0.000 0.436 1283 A N 1.182 123.981 122.820 -0.036 0.000 1.917 1283 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 1283 A C 2.127 179.650 177.584 -0.102 0.000 1.182 1283 A CA 1.871 53.882 52.037 -0.043 0.000 0.633 1283 A CB -0.506 18.477 19.000 -0.027 0.000 0.819 1283 A HN 0.426 nan 8.150 nan 0.000 0.448 1284 Q N -2.265 117.423 119.800 -0.186 0.000 2.187 1284 Q HA -0.114 4.225 4.340 -0.000 0.000 0.199 1284 Q C 1.387 177.117 176.000 -0.449 0.000 0.957 1284 Q CA 1.435 57.014 55.803 -0.373 0.000 0.857 1284 Q CB -0.004 28.393 28.738 -0.569 0.000 0.929 1284 Q HN 0.736 nan 8.270 nan 0.000 0.453 1285 H N -0.756 118.264 119.070 -0.084 0.000 2.893 1285 H HA 0.249 4.805 4.556 -0.000 0.000 0.270 1285 H C 0.079 175.391 175.328 -0.027 0.000 1.095 1285 H CA 0.940 56.950 56.048 -0.062 0.000 1.186 1285 H CB 0.876 30.618 29.762 -0.032 0.000 1.562 1285 H HN 0.371 nan 8.280 nan 0.000 0.536 1291 K N 2.227 122.677 120.400 0.084 0.000 2.393 1291 K HA 0.246 4.566 4.320 -0.000 0.000 0.193 1291 K C 0.943 177.606 176.600 0.105 0.000 1.026 1291 K CA 0.521 56.863 56.287 0.092 0.000 1.064 1291 K CB 0.289 32.839 32.500 0.083 0.000 0.833 1291 K HN 0.706 nan 8.250 nan 0.000 0.521 1292 E N 1.040 121.305 120.200 0.108 0.000 3.800 1292 E HA -0.308 4.042 4.350 -0.000 0.000 0.277 1292 E C -0.381 176.306 176.600 0.146 0.000 1.557 1292 E CA 0.974 57.457 56.400 0.138 0.000 2.373 1292 E CB -0.433 29.379 29.700 0.187 0.000 2.047 1292 E HN 0.082 nan 8.360 nan 0.000 0.423 1293 L N -0.530 120.810 121.223 0.195 0.000 4.834 1293 L HA 0.229 4.569 4.340 -0.000 0.000 0.241 1293 L C -1.041 175.973 176.870 0.240 0.000 1.063 1293 L CA -0.364 54.571 54.840 0.159 0.000 0.963 1293 L CB 0.258 42.379 42.059 0.103 0.000 1.648 1293 L HN 0.645 nan 8.230 nan 0.000 0.392 1294 F N 0.200 120.212 119.950 0.104 0.000 2.577 1294 F HA 0.771 5.297 4.527 -0.000 0.000 0.318 1294 F C -0.058 175.823 175.800 0.134 0.000 1.065 1294 F CA -1.104 56.958 58.000 0.104 0.000 0.929 1294 F CB 1.505 40.557 39.000 0.086 0.000 1.237 1294 F HN 0.403 nan 8.300 nan 0.000 0.468 1295 R N 2.599 123.229 120.500 0.216 0.000 2.316 1295 R HA 0.486 4.826 4.340 -0.000 0.000 0.314 1295 R C -1.636 174.812 176.300 0.247 0.000 1.069 1295 R CA -0.577 55.626 56.100 0.172 0.000 0.959 1295 R CB 0.627 31.046 30.300 0.198 0.000 0.987 1295 R HN 0.808 nan 8.270 nan 0.000 0.446 1296 L N 5.319 126.650 121.223 0.181 0.000 2.316 1296 L HA 0.342 4.682 4.340 -0.000 0.000 0.280 1296 L C -0.979 176.148 176.870 0.429 0.000 1.006 1296 L CA -0.380 54.642 54.840 0.303 0.000 0.836 1296 L CB 1.318 43.515 42.059 0.230 0.000 1.221 1296 L HN 0.645 nan 8.230 nan 0.000 0.418 1297 D N 1.592 122.231 120.400 0.397 0.000 2.358 1297 D HA 0.168 4.808 4.640 -0.000 0.000 0.244 1297 D C -0.284 176.292 176.300 0.461 0.000 1.163 1297 D CA 0.060 54.317 54.000 0.429 0.000 0.945 1297 D CB 1.469 42.499 40.800 0.384 0.000 1.152 1297 D HN 0.427 nan 8.370 nan 0.000 0.451 1298 S N 0.543 116.403 115.700 0.266 0.000 2.525 1298 S HA 0.436 4.906 4.470 -0.000 0.000 0.278 1298 S C -2.538 172.121 174.600 0.097 0.000 1.234 1298 S CA -1.413 56.814 58.200 0.045 0.000 1.058 1298 S CB 0.897 63.758 63.200 -0.566 0.000 0.983 1298 S HN 0.178 nan 8.310 nan 0.000 0.495 1299 P HA 0.245 nan 4.420 nan 0.000 0.279 1299 P C -1.234 176.196 177.300 0.217 0.000 1.239 1299 P CA -0.517 62.665 63.100 0.136 0.000 0.789 1299 P CB 0.851 32.575 31.700 0.039 0.000 0.933 1300 A N 2.945 125.934 122.820 0.282 0.000 2.981 1300 A HA 0.328 4.648 4.320 -0.000 0.000 0.280 1300 A C 0.992 178.588 177.584 0.019 0.000 1.743 1300 A CA -0.103 51.993 52.037 0.100 0.000 1.430 1300 A CB -1.443 17.433 19.000 -0.205 0.000 1.085 1300 A HN 0.607 nan 8.150 nan 0.000 0.597 1301 T N -0.705 113.876 114.554 0.045 0.000 2.849 1301 T HA 0.391 4.741 4.350 -0.000 0.000 0.284 1301 T C -1.600 173.111 174.700 0.019 0.000 1.004 1301 T CA -1.529 60.587 62.100 0.026 0.000 1.021 1301 T CB 0.671 69.552 68.868 0.021 0.000 1.013 1301 T HN 0.160 nan 8.240 nan 0.000 0.527 1302 P HA -0.199 nan 4.420 nan 0.000 0.218 1302 P C 1.466 178.771 177.300 0.008 0.000 1.154 1302 P CA 1.441 64.552 63.100 0.019 0.000 0.872 1302 P CB 0.046 31.750 31.700 0.007 0.000 0.790 1303 E N -0.037 120.166 120.200 0.005 0.000 2.058 1303 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 1303 E C 1.807 178.420 176.600 0.023 0.000 0.997 1303 E CA 1.345 57.749 56.400 0.007 0.000 0.801 1303 E CB -0.148 29.553 29.700 0.001 0.000 0.746 1303 E HN 0.189 nan 8.360 nan 0.000 0.450 1304 K N 0.077 120.499 120.400 0.037 0.000 2.057 1304 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 1304 K C 2.276 178.903 176.600 0.045 0.000 1.050 1304 K CA 1.143 57.467 56.287 0.060 0.000 0.935 1304 K CB -0.063 32.491 32.500 0.089 0.000 0.715 1304 K HN 0.253 nan 8.250 nan 0.000 0.439 1305 I N 0.597 121.177 120.570 0.015 0.000 2.286 1305 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 1305 I C 2.575 178.694 176.117 0.004 0.000 1.104 1305 I CA 0.817 62.114 61.300 -0.006 0.000 1.397 1305 I CB -0.099 37.882 38.000 -0.031 0.000 1.072 1305 I HN 0.053 nan 8.210 nan 0.000 0.417 1306 R N 1.667 122.173 120.500 0.010 0.000 2.066 1306 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 1306 R C 1.873 178.181 176.300 0.014 0.000 1.131 1306 R CA 1.722 57.829 56.100 0.012 0.000 0.955 1306 R CB -0.549 29.752 30.300 0.001 0.000 0.851 1306 R HN 0.259 nan 8.270 nan 0.000 0.432 1307 N N 0.041 118.751 118.700 0.016 0.000 2.381 1307 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 1307 N C 1.065 176.578 175.510 0.004 0.000 1.025 1307 N CA 1.339 54.401 53.050 0.020 0.000 0.888 1307 N CB -0.126 38.380 38.487 0.031 0.000 0.965 1307 N HN 0.368 nan 8.380 nan 0.000 0.438 1308 A N -0.647 122.163 122.820 -0.016 0.000 2.178 1308 A HA 0.079 4.399 4.320 -0.000 0.000 0.211 1308 A C 0.936 178.415 177.584 -0.175 0.000 1.157 1308 A CA 0.004 51.976 52.037 -0.108 0.000 0.780 1308 A CB -0.104 18.853 19.000 -0.072 0.000 0.828 1308 A HN 0.283 nan 8.150 nan 0.000 0.476 1309 C N 1.947 121.209 119.300 -0.063 0.000 2.615 1309 C HA 0.388 4.848 4.460 -0.000 0.000 0.503 1309 C C 0.615 175.628 174.990 0.037 0.000 1.039 1309 C CA -0.882 58.132 59.018 -0.007 0.000 1.226 1309 C CB -2.098 25.677 27.740 0.059 0.000 1.447 1309 C HN 0.308 nan 8.230 nan 0.000 0.572 1310 V N 4.561 124.475 119.914 -0.000 0.000 2.529 1310 V HA 0.255 4.375 4.120 -0.000 0.000 0.292 1310 V C 0.261 176.405 176.094 0.083 0.000 1.028 1310 V CA 0.773 63.090 62.300 0.029 0.000 1.074 1310 V CB 0.432 32.252 31.823 -0.005 0.000 0.958 1310 V HN 0.867 nan 8.190 nan 0.000 0.481 1311 D N 3.206 123.666 120.400 0.099 0.000 2.825 1311 D HA 0.216 4.856 4.640 -0.000 0.000 0.327 1311 D C 0.613 176.931 176.300 0.030 0.000 1.277 1311 D CA -0.665 53.401 54.000 0.110 0.000 0.950 1311 D CB 0.748 41.655 40.800 0.179 0.000 1.438 1311 D HN 0.337 nan 8.370 nan 0.000 0.526 1312 K N -0.638 119.714 120.400 -0.080 0.000 2.520 1312 K HA -0.017 4.303 4.320 -0.000 0.000 0.197 1312 K C 0.558 176.868 176.600 -0.484 0.000 1.043 1312 K CA 1.213 57.311 56.287 -0.315 0.000 0.944 1312 K CB -0.500 31.744 32.500 -0.428 0.000 0.770 1312 K HN 0.296 nan 8.250 nan 0.000 0.480 1313 F N 1.205 121.145 119.950 -0.017 0.000 2.490 1313 F HA 0.013 4.540 4.527 -0.000 0.000 0.280 1313 F C 2.736 178.518 175.800 -0.031 0.000 1.030 1313 F CA 0.615 58.587 58.000 -0.046 0.000 1.367 1313 F CB -0.458 38.483 39.000 -0.099 0.000 1.131 1313 F HN 0.075 nan 8.300 nan 0.000 0.632 1314 T N -2.068 112.590 114.554 0.173 0.000 2.759 1314 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 1314 T C 1.840 176.571 174.700 0.050 0.000 1.042 1314 T CA 1.909 64.063 62.100 0.089 0.000 1.140 1314 T CB -1.178 67.733 68.868 0.072 0.000 0.864 1314 T HN 0.357 nan 8.240 nan 0.000 0.455 1315 T N 0.272 114.845 114.554 0.031 0.000 3.081 1315 T HA 0.306 4.656 4.350 -0.000 0.000 0.255 1315 T C 1.373 176.070 174.700 -0.005 0.000 1.113 1315 T CA 0.594 62.699 62.100 0.008 0.000 1.082 1315 T CB -0.582 68.285 68.868 -0.002 0.000 0.939 1315 T HN 1.280 nan 8.240 nan 0.000 0.506 1316 L N -2.786 118.429 121.223 -0.013 0.000 4.479 1316 L HA -0.126 4.214 4.340 -0.000 0.000 0.394 1316 L C 0.758 177.596 176.870 -0.053 0.000 0.976 1316 L CA 0.436 55.264 54.840 -0.020 0.000 1.413 1316 L CB -2.494 39.562 42.059 -0.006 0.000 1.975 1316 L HN 0.243 nan 8.230 nan 0.000 0.570 1317 C N -0.367 118.876 119.300 -0.095 0.000 2.539 1317 C HA 0.200 4.660 4.460 -0.000 0.000 0.268 1317 C C 2.509 177.415 174.990 -0.140 0.000 1.395 1317 C CA 0.624 59.579 59.018 -0.105 0.000 1.757 1317 C CB -0.807 26.868 27.740 -0.108 0.000 1.851 1317 C HN 0.706 nan 8.230 nan 0.000 0.545 1318 V N -1.276 118.518 119.914 -0.201 0.000 2.548 1318 V HA -0.003 4.117 4.120 -0.000 0.000 0.249 1318 V C 1.333 177.368 176.094 -0.098 0.000 1.055 1318 V CA 1.742 63.911 62.300 -0.218 0.000 1.065 1318 V CB -1.039 30.592 31.823 -0.321 0.000 0.681 1318 V HN 0.531 nan 8.190 nan 0.000 0.462 1319 T N -1.397 113.123 114.554 -0.056 0.000 2.644 1319 T HA 0.772 5.122 4.350 -0.000 0.000 0.253 1319 T C -0.146 174.536 174.700 -0.029 0.000 0.910 1319 T CA 0.155 62.225 62.100 -0.049 0.000 1.066 1319 T CB 1.570 70.419 68.868 -0.031 0.000 1.484 1319 T HN 0.642 nan 8.240 nan 0.000 0.560 1320 G N 0.000 108.789 108.800 -0.019 0.000 5.446 1320 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1320 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1320 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 1320 G HN 0.000 nan 8.290 nan 0.000 0.925