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 3etr_1_N 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 ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTT 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 0.000 176.260 176.300 -0.067 0.000 2.045 571 D CA 0.000 53.955 54.000 -0.074 0.000 0.868 571 D CB 0.000 40.749 40.800 -0.085 0.000 0.688 572 T N -1.083 113.430 114.554 -0.067 0.000 3.044 572 T HA 0.213 4.561 4.350 -0.004 0.000 0.260 572 T C 0.898 175.561 174.700 -0.062 0.000 1.019 572 T CA -0.062 62.007 62.100 -0.053 0.000 0.921 572 T CB 0.195 69.042 68.868 -0.035 0.000 1.053 572 T HN 0.120 nan 8.240 nan 0.000 0.533 573 V N 2.488 122.342 119.914 -0.099 0.000 2.509 573 V HA 0.424 4.541 4.120 -0.004 0.000 0.297 573 V C 1.658 177.699 176.094 -0.089 0.000 1.014 573 V CA 1.473 63.707 62.300 -0.111 0.000 1.127 573 V CB -0.225 31.459 31.823 -0.232 0.000 0.925 573 V HN 0.901 nan 8.190 nan 0.000 0.480 574 G N 4.626 113.394 108.800 -0.052 0.000 2.176 574 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.232 574 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.232 574 G C 0.187 175.070 174.900 -0.028 0.000 0.986 574 G CA -0.061 45.016 45.100 -0.038 0.000 0.643 574 G HN 0.621 nan 8.290 nan 0.000 0.522 575 R N 0.715 121.199 120.500 -0.026 0.000 2.540 575 R HA 0.493 4.830 4.340 -0.004 0.000 0.287 575 R C -2.266 174.029 176.300 -0.009 0.000 0.980 575 R CA -1.858 54.231 56.100 -0.019 0.000 0.966 575 R CB 1.569 31.856 30.300 -0.021 0.000 1.106 575 R HN 0.003 nan 8.270 nan 0.000 0.480 576 P HA -0.007 nan 4.420 nan 0.000 0.231 576 P C -0.654 176.651 177.300 0.009 0.000 1.756 576 P CA -0.135 62.966 63.100 0.002 0.000 0.990 576 P CB -0.123 31.577 31.700 -0.000 0.000 1.973 577 L N 3.218 124.446 121.223 0.008 0.000 2.418 577 L HA 0.319 4.657 4.340 -0.004 0.000 0.274 577 L C -2.297 174.591 176.870 0.030 0.000 1.135 577 L CA -1.907 52.941 54.840 0.013 0.000 0.870 577 L CB -0.348 41.713 42.059 0.003 0.000 1.154 577 L HN -0.004 nan 8.230 nan 0.000 0.462 578 P HA -0.026 nan 4.420 nan 0.000 0.268 578 P C -0.663 176.698 177.300 0.101 0.000 1.205 578 P CA -0.041 63.104 63.100 0.075 0.000 0.771 578 P CB 0.212 31.954 31.700 0.070 0.000 0.858 579 H N 2.789 121.875 119.070 0.028 0.000 3.193 579 H HA -0.092 4.462 4.556 -0.004 0.000 0.306 579 H C 1.115 176.465 175.328 0.036 0.000 0.960 579 H CA 0.817 56.884 56.048 0.030 0.000 1.375 579 H CB 0.463 30.245 29.762 0.032 0.000 1.321 579 H HN 0.400 nan 8.280 nan 0.000 0.578 580 L N 4.215 125.413 121.223 -0.040 0.000 2.191 580 L HA -0.150 4.187 4.340 -0.004 0.000 0.212 580 L C 2.296 179.248 176.870 0.137 0.000 1.103 580 L CA 1.352 56.214 54.840 0.037 0.000 0.769 580 L CB -0.234 41.810 42.059 -0.025 0.000 0.908 580 L HN 0.624 nan 8.230 nan 0.000 0.438 581 A N -0.856 122.140 122.820 0.293 0.000 2.387 581 A HA 0.404 4.721 4.320 -0.004 0.000 0.234 581 A C 2.232 179.934 177.584 0.196 0.000 1.253 581 A CA 0.637 52.819 52.037 0.241 0.000 0.894 581 A CB -0.156 18.983 19.000 0.231 0.000 0.963 581 A HN 0.273 nan 8.150 nan 0.000 0.508 582 A N 0.127 123.071 122.820 0.207 0.000 1.969 582 A HA 0.205 4.522 4.320 -0.004 0.000 0.218 582 A C 2.345 179.975 177.584 0.076 0.000 1.169 582 A CA 1.671 53.764 52.037 0.093 0.000 0.635 582 A CB -0.635 18.418 19.000 0.088 0.000 0.810 582 A HN 0.952 nan 8.150 nan 0.000 0.445 583 A N -0.456 122.413 122.820 0.083 0.000 1.930 583 A HA -0.060 4.257 4.320 -0.004 0.000 0.217 583 A C 2.198 179.819 177.584 0.062 0.000 1.175 583 A CA 1.672 53.748 52.037 0.065 0.000 0.627 583 A CB -0.481 18.555 19.000 0.060 0.000 0.815 583 A HN 0.527 nan 8.150 nan 0.000 0.443 584 M N -1.110 118.532 119.600 0.069 0.000 2.349 584 M HA -0.118 4.359 4.480 -0.004 0.000 0.266 584 M C 2.259 178.604 176.300 0.075 0.000 1.076 584 M CA 1.047 56.385 55.300 0.063 0.000 1.126 584 M CB -0.283 32.352 32.600 0.059 0.000 1.392 584 M HN 0.472 nan 8.290 nan 0.000 0.440 585 Q N 0.466 120.317 119.800 0.084 0.000 2.079 585 Q HA -0.080 4.257 4.340 -0.004 0.000 0.200 585 Q C 2.310 178.366 176.000 0.093 0.000 0.974 585 Q CA 1.624 57.495 55.803 0.114 0.000 0.840 585 Q CB -0.279 28.517 28.738 0.096 0.000 0.898 585 Q HN 0.574 nan 8.270 nan 0.000 0.430 586 A N 1.006 123.868 122.820 0.070 0.000 1.972 586 A HA -0.178 4.140 4.320 -0.004 0.000 0.219 586 A C 2.164 179.781 177.584 0.056 0.000 1.169 586 A CA 1.789 53.861 52.037 0.060 0.000 0.635 586 A CB -0.435 18.596 19.000 0.052 0.000 0.810 586 A HN 0.429 nan 8.150 nan 0.000 0.446 587 S N -2.397 113.337 115.700 0.057 0.000 2.548 587 S HA 0.391 4.858 4.470 -0.004 0.000 0.215 587 S C 1.360 175.992 174.600 0.053 0.000 0.976 587 S CA 1.016 59.245 58.200 0.048 0.000 0.908 587 S CB -0.142 63.083 63.200 0.042 0.000 0.781 587 S HN 1.917 nan 8.310 nan 0.000 0.519 588 G N 1.293 110.136 108.800 0.071 0.000 2.147 588 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.244 588 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.244 588 G C 0.335 175.281 174.900 0.076 0.000 1.005 588 G CA 0.449 45.599 45.100 0.083 0.000 0.713 588 G HN 0.602 nan 8.290 nan 0.000 0.515 589 E N -0.310 119.929 120.200 0.065 0.000 2.415 589 E HA 0.433 4.780 4.350 -0.004 0.000 0.197 589 E C 1.612 178.231 176.600 0.032 0.000 1.007 589 E CA 0.331 56.757 56.400 0.044 0.000 0.890 589 E CB 0.418 30.138 29.700 0.033 0.000 0.891 589 E HN 0.745 nan 8.360 nan 0.000 0.496 590 A N 1.646 124.490 122.820 0.040 0.000 2.450 590 A HA 0.246 4.564 4.320 -0.004 0.000 0.255 590 A C 0.113 177.634 177.584 -0.104 0.000 1.096 590 A CA -0.214 51.793 52.037 -0.050 0.000 0.778 590 A CB 0.392 19.351 19.000 -0.068 0.000 1.031 590 A HN 0.006 nan 8.150 nan 0.000 0.494 591 V N 4.398 124.203 119.914 -0.182 0.000 2.364 591 V HA 0.270 4.388 4.120 -0.004 0.000 0.272 591 V C -0.495 175.440 176.094 -0.265 0.000 1.036 591 V CA -0.145 62.086 62.300 -0.115 0.000 0.880 591 V CB -0.234 31.542 31.823 -0.078 0.000 0.991 591 V HN 0.772 nan 8.190 nan 0.000 0.460 592 Y N 1.962 122.260 120.300 -0.003 0.000 2.480 592 Y HA 0.281 4.828 4.550 -0.004 0.000 0.323 592 Y C 1.684 177.577 175.900 -0.012 0.000 1.267 592 Y CA -0.130 57.967 58.100 -0.005 0.000 1.336 592 Y CB 0.564 39.023 38.460 -0.003 0.000 1.361 592 Y HN 0.652 nan 8.280 nan 0.000 0.518 593 C N 0.474 119.873 119.300 0.165 0.000 2.398 593 C HA -0.228 4.229 4.460 -0.004 0.000 0.276 593 C C 2.408 177.437 174.990 0.066 0.000 1.222 593 C CA 2.274 61.345 59.018 0.089 0.000 1.746 593 C CB -0.955 26.841 27.740 0.094 0.000 2.039 593 C HN 1.052 nan 8.230 nan 0.000 0.470 594 D N -0.103 120.351 120.400 0.090 0.000 2.348 594 D HA -0.061 4.576 4.640 -0.004 0.000 0.216 594 D C 1.459 177.798 176.300 0.064 0.000 0.970 594 D CA 0.949 54.996 54.000 0.078 0.000 0.889 594 D CB -0.305 40.547 40.800 0.087 0.000 0.912 594 D HN 0.562 nan 8.370 nan 0.000 0.524 595 D N -0.302 120.139 120.400 0.069 0.000 2.347 595 D HA 0.010 4.647 4.640 -0.004 0.000 0.213 595 D C 0.643 176.935 176.300 -0.014 0.000 0.985 595 D CA 0.058 54.086 54.000 0.048 0.000 0.879 595 D CB 0.181 41.034 40.800 0.089 0.000 0.919 595 D HN 0.355 nan 8.370 nan 0.000 0.526 596 I N 2.567 123.102 120.570 -0.059 0.000 2.683 596 I HA -0.005 4.162 4.170 -0.004 0.000 0.286 596 I C -1.900 174.138 176.117 -0.133 0.000 1.175 596 I CA -1.407 59.802 61.300 -0.151 0.000 1.429 596 I CB 0.331 38.173 38.000 -0.263 0.000 1.371 596 I HN -0.311 nan 8.210 nan 0.000 0.569 597 P HA 0.057 nan 4.420 nan 0.000 0.266 597 P C -0.839 176.344 177.300 -0.194 0.000 1.193 597 P CA -0.062 62.951 63.100 -0.145 0.000 0.770 597 P CB 0.468 32.063 31.700 -0.175 0.000 0.836 598 R N 1.838 122.272 120.500 -0.109 0.000 2.441 598 R HA 0.297 4.635 4.340 -0.004 0.000 0.284 598 R C -0.204 176.025 176.300 -0.119 0.000 1.070 598 R CA -0.201 55.853 56.100 -0.076 0.000 1.047 598 R CB -0.058 30.271 30.300 0.049 0.000 1.016 598 R HN 0.447 nan 8.270 nan 0.000 0.477 599 Y N 1.737 122.022 120.300 -0.026 0.000 2.457 599 Y HA -0.136 4.412 4.550 -0.004 0.000 0.341 599 Y C 1.915 177.820 175.900 0.008 0.000 1.240 599 Y CA 0.428 58.520 58.100 -0.013 0.000 1.437 599 Y CB 0.711 39.159 38.460 -0.020 0.000 1.328 599 Y HN 0.726 nan 8.280 nan 0.000 0.588 600 E N 0.829 121.149 120.200 0.200 0.000 2.171 600 E HA -0.302 4.046 4.350 -0.004 0.000 0.197 600 E C 0.562 177.243 176.600 0.134 0.000 0.997 600 E CA 1.771 58.248 56.400 0.128 0.000 0.810 600 E CB -0.292 29.464 29.700 0.094 0.000 0.738 600 E HN 0.780 nan 8.360 nan 0.000 0.467 601 N N 1.035 119.816 118.700 0.136 0.000 2.230 601 N HA -0.003 4.734 4.740 -0.004 0.000 0.202 601 N C -0.229 175.416 175.510 0.225 0.000 1.119 601 N CA -0.095 53.052 53.050 0.162 0.000 0.851 601 N CB 0.096 38.586 38.487 0.006 0.000 0.990 601 N HN 0.216 nan 8.380 nan 0.000 0.497 602 E N 1.145 121.435 120.200 0.150 0.000 2.480 602 E HA 0.104 4.452 4.350 -0.004 0.000 0.258 602 E C -0.389 176.178 176.600 -0.056 0.000 0.984 602 E CA -0.034 56.387 56.400 0.034 0.000 0.930 602 E CB 0.477 30.158 29.700 -0.032 0.000 0.936 602 E HN 0.253 nan 8.360 nan 0.000 0.466 603 L N 3.701 124.851 121.223 -0.120 0.000 2.376 603 L HA 0.547 4.885 4.340 -0.004 0.000 0.267 603 L C -0.510 176.152 176.870 -0.347 0.000 1.035 603 L CA -0.987 53.804 54.840 -0.081 0.000 0.800 603 L CB 0.701 42.729 42.059 -0.053 0.000 1.290 603 L HN 0.503 nan 8.230 nan 0.000 0.462 604 F N 0.689 120.659 119.950 0.034 0.000 2.556 604 F HA 0.585 5.110 4.527 -0.003 0.000 0.314 604 F C -0.387 175.436 175.800 0.039 0.000 1.106 604 F CA -0.482 57.545 58.000 0.045 0.000 0.911 604 F CB 1.935 40.964 39.000 0.048 0.000 1.190 604 F HN 0.146 nan 8.300 nan 0.000 0.448 605 L N 3.317 124.655 121.223 0.192 0.000 2.346 605 L HA 0.798 5.135 4.340 -0.004 0.000 0.274 605 L C -1.072 175.893 176.870 0.158 0.000 1.007 605 L CA -0.737 54.185 54.840 0.137 0.000 0.818 605 L CB 1.679 43.797 42.059 0.098 0.000 1.284 605 L HN 0.740 nan 8.230 nan 0.000 0.424 606 R N 4.239 124.828 120.500 0.148 0.000 2.502 606 R HA 0.542 4.880 4.340 -0.004 0.000 0.300 606 R C -1.457 174.932 176.300 0.148 0.000 0.984 606 R CA -0.461 55.729 56.100 0.150 0.000 0.882 606 R CB 1.304 31.698 30.300 0.158 0.000 1.180 606 R HN 0.724 nan 8.270 nan 0.000 0.444 607 L N 3.663 124.973 121.223 0.144 0.000 2.483 607 L HA 0.213 4.550 4.340 -0.004 0.000 0.276 607 L C -0.296 176.666 176.870 0.154 0.000 1.213 607 L CA -0.236 54.695 54.840 0.151 0.000 0.843 607 L CB 0.903 43.052 42.059 0.150 0.000 1.107 607 L HN 0.351 nan 8.230 nan 0.000 0.487 608 V N 2.218 122.227 119.914 0.157 0.000 2.384 608 V HA 0.393 4.511 4.120 -0.004 0.000 0.287 608 V C 0.107 176.292 176.094 0.151 0.000 1.020 608 V CA -0.361 62.041 62.300 0.171 0.000 0.850 608 V CB 1.573 33.551 31.823 0.258 0.000 0.987 608 V HN 0.767 nan 8.190 nan 0.000 0.436 609 T N 2.923 117.567 114.554 0.149 0.000 2.893 609 T HA 0.349 4.697 4.350 -0.004 0.000 0.291 609 T C -0.076 174.730 174.700 0.176 0.000 1.028 609 T CA -0.233 61.960 62.100 0.155 0.000 0.995 609 T CB 1.788 70.741 68.868 0.142 0.000 1.051 609 T HN 0.730 nan 8.240 nan 0.000 0.470 610 S N 1.113 116.929 115.700 0.194 0.000 2.549 610 S HA 0.139 4.606 4.470 -0.004 0.000 0.286 610 S C 1.369 176.038 174.600 0.114 0.000 1.314 610 S CA 0.108 58.437 58.200 0.215 0.000 1.062 610 S CB 0.274 63.606 63.200 0.220 0.000 0.865 610 S HN 0.861 nan 8.310 nan 0.000 0.498 611 T N 2.604 117.175 114.554 0.028 0.000 3.069 611 T HA 0.366 4.713 4.350 -0.004 0.000 0.252 611 T C 0.298 174.874 174.700 -0.206 0.000 1.053 611 T CA -0.429 61.638 62.100 -0.055 0.000 0.964 611 T CB 0.027 68.903 68.868 0.013 0.000 1.005 611 T HN 0.418 nan 8.240 nan 0.000 0.532 612 R N 0.478 120.779 120.500 -0.332 0.000 2.599 612 R HA 0.741 5.078 4.340 -0.004 0.000 0.295 612 R C 0.860 177.102 176.300 -0.097 0.000 0.963 612 R CA -0.293 55.625 56.100 -0.304 0.000 0.883 612 R CB 1.419 31.376 30.300 -0.571 0.000 1.171 612 R HN 0.153 nan 8.270 nan 0.000 0.450 613 A N 1.264 124.059 122.820 -0.042 0.000 2.067 613 A HA -0.108 4.210 4.320 -0.004 0.000 0.219 613 A C 0.185 177.824 177.584 0.093 0.000 1.158 613 A CA 1.460 53.504 52.037 0.010 0.000 0.661 613 A CB -0.182 18.815 19.000 -0.006 0.000 0.801 613 A HN 0.649 nan 8.150 nan 0.000 0.452 614 H N -2.248 116.800 119.070 -0.036 0.000 3.212 614 H HA 0.558 5.112 4.556 -0.004 0.000 0.306 614 H C -1.043 174.290 175.328 0.009 0.000 1.198 614 H CA -0.423 55.626 56.048 0.001 0.000 1.532 614 H CB 0.430 30.186 29.762 -0.011 0.000 2.133 614 H HN 0.540 nan 8.280 nan 0.000 0.395 615 A N 3.934 126.838 122.820 0.140 0.000 2.590 615 A HA 0.504 4.821 4.320 -0.004 0.000 0.294 615 A C -1.318 176.348 177.584 0.137 0.000 1.046 615 A CA -0.760 51.309 52.037 0.054 0.000 0.684 615 A CB 1.302 20.353 19.000 0.084 0.000 1.279 615 A HN 0.602 nan 8.150 nan 0.000 0.415 616 K N 1.298 121.752 120.400 0.090 0.000 2.218 616 K HA 0.612 4.930 4.320 -0.004 0.000 0.276 616 K C -0.916 175.765 176.600 0.134 0.000 1.022 616 K CA -0.198 56.147 56.287 0.097 0.000 0.946 616 K CB 0.373 32.900 32.500 0.044 0.000 1.000 616 K HN 0.499 nan 8.250 nan 0.000 0.468 617 I N 5.271 125.902 120.570 0.101 0.000 2.337 617 I HA 0.071 4.238 4.170 -0.004 0.000 0.291 617 I C 1.100 177.204 176.117 -0.021 0.000 1.046 617 I CA -0.075 61.236 61.300 0.018 0.000 1.324 617 I CB 1.156 39.154 38.000 -0.004 0.000 1.409 617 I HN 0.804 nan 8.210 nan 0.000 0.494 618 K N 4.973 125.337 120.400 -0.061 0.000 2.242 618 K HA 0.157 4.475 4.320 -0.004 0.000 0.200 618 K C 0.303 176.861 176.600 -0.070 0.000 1.050 618 K CA 0.535 56.794 56.287 -0.048 0.000 0.981 618 K CB 0.418 32.899 32.500 -0.031 0.000 0.795 618 K HN 0.687 nan 8.250 nan 0.000 0.477 619 S N -0.598 115.030 115.700 -0.120 0.000 2.595 619 S HA 0.503 4.970 4.470 -0.004 0.000 0.270 619 S C -1.032 173.466 174.600 -0.170 0.000 1.145 619 S CA -1.144 56.986 58.200 -0.117 0.000 0.825 619 S CB 0.910 64.050 63.200 -0.100 0.000 1.107 619 S HN 0.126 nan 8.310 nan 0.000 0.461 620 I N 1.369 121.849 120.570 -0.150 0.000 2.512 620 I HA 0.466 4.633 4.170 -0.004 0.000 0.287 620 I C -1.605 174.381 176.117 -0.217 0.000 1.069 620 I CA -0.341 60.834 61.300 -0.210 0.000 1.056 620 I CB 1.977 39.859 38.000 -0.197 0.000 1.229 620 I HN 0.809 nan 8.210 nan 0.000 0.429 621 D N 5.211 125.464 120.400 -0.246 0.000 2.425 621 D HA 0.347 4.985 4.640 -0.004 0.000 0.240 621 D C 0.496 176.626 176.300 -0.283 0.000 1.080 621 D CA -0.656 53.213 54.000 -0.219 0.000 0.836 621 D CB 2.014 42.715 40.800 -0.164 0.000 1.125 621 D HN 0.359 nan 8.370 nan 0.000 0.525 622 V N 1.837 121.582 119.914 -0.282 0.000 3.647 622 V HA 0.086 4.204 4.120 -0.004 0.000 0.279 622 V C 1.600 177.517 176.094 -0.294 0.000 1.314 622 V CA 0.957 63.065 62.300 -0.320 0.000 1.125 622 V CB -0.492 31.163 31.823 -0.280 0.000 0.907 622 V HN 0.541 nan 8.190 nan 0.000 0.434 623 S N 0.546 116.115 115.700 -0.219 0.000 2.402 623 S HA -0.205 4.263 4.470 -0.004 0.000 0.233 623 S C 1.718 176.190 174.600 -0.212 0.000 1.030 623 S CA 1.618 59.704 58.200 -0.190 0.000 1.003 623 S CB -0.482 62.640 63.200 -0.131 0.000 0.813 623 S HN 0.651 nan 8.310 nan 0.000 0.477 624 E N 1.702 121.774 120.200 -0.213 0.000 2.170 624 E HA 0.237 4.585 4.350 -0.004 0.000 0.191 624 E C 2.374 178.818 176.600 -0.260 0.000 0.981 624 E CA 1.005 57.289 56.400 -0.193 0.000 0.830 624 E CB -0.779 28.832 29.700 -0.148 0.000 0.775 624 E HN 0.649 nan 8.360 nan 0.000 0.470 625 A N 1.214 123.817 122.820 -0.362 0.000 1.930 625 A HA -0.182 4.136 4.320 -0.004 0.000 0.217 625 A C 1.998 179.028 177.584 -0.923 0.000 1.175 625 A CA 1.127 52.871 52.037 -0.488 0.000 0.627 625 A CB -0.453 18.285 19.000 -0.437 0.000 0.815 625 A HN 0.189 nan 8.150 nan 0.000 0.443 626 Q N -0.685 118.527 119.800 -0.980 0.000 2.500 626 Q HA -0.068 4.269 4.340 -0.004 0.000 0.213 626 Q C 1.102 176.877 176.000 -0.376 0.000 0.974 626 Q CA 1.025 56.303 55.803 -0.874 0.000 0.918 626 Q CB -0.062 28.402 28.738 -0.457 0.000 0.980 626 Q HN 0.621 nan 8.270 nan 0.000 0.505 627 K N -0.329 119.896 120.400 -0.291 0.000 2.358 627 K HA 0.135 4.452 4.320 -0.004 0.000 0.197 627 K C -0.181 176.346 176.600 -0.122 0.000 1.025 627 K CA -0.133 56.062 56.287 -0.153 0.000 1.104 627 K CB 1.108 33.534 32.500 -0.124 0.000 0.855 627 K HN -0.095 nan 8.250 nan 0.000 0.531 628 V N 4.684 124.513 119.914 -0.141 0.000 2.521 628 V HA 0.051 4.169 4.120 -0.004 0.000 0.286 628 V C -2.068 173.956 176.094 -0.117 0.000 1.034 628 V CA -1.671 60.572 62.300 -0.095 0.000 1.045 628 V CB 0.157 31.965 31.823 -0.026 0.000 0.974 628 V HN 0.123 nan 8.190 nan 0.000 0.480 629 P HA 0.100 nan 4.420 nan 0.000 0.265 629 P C 0.950 177.973 177.300 -0.463 0.000 1.187 629 P CA 1.183 64.090 63.100 -0.322 0.000 0.766 629 P CB 0.523 31.996 31.700 -0.380 0.000 0.820 630 G N 1.874 110.597 108.800 -0.129 0.000 2.184 630 G HA2 -0.301 3.656 3.960 -0.004 0.000 0.264 630 G HA3 -0.301 3.656 3.960 -0.004 0.000 0.264 630 G C -0.025 174.952 174.900 0.128 0.000 0.975 630 G CA -0.152 44.982 45.100 0.056 0.000 0.642 630 G HN 0.572 nan 8.290 nan 0.000 0.536 631 F N 1.053 120.988 119.950 -0.026 0.000 2.538 631 F HA 0.449 4.973 4.527 -0.004 0.000 0.371 631 F C 1.319 177.132 175.800 0.022 0.000 1.087 631 F CA 0.599 58.609 58.000 0.016 0.000 1.250 631 F CB 1.027 40.027 39.000 -0.000 0.000 1.110 631 F HN -0.087 nan 8.300 nan 0.000 0.570 632 V N 4.618 124.187 119.914 -0.575 0.000 2.599 632 V HA 0.047 4.164 4.120 -0.004 0.000 0.237 632 V C 0.483 176.196 176.094 -0.634 0.000 1.081 632 V CA 1.139 63.171 62.300 -0.446 0.000 1.107 632 V CB 0.184 31.838 31.823 -0.282 0.000 0.808 632 V HN 1.010 nan 8.190 nan 0.000 0.486 633 C N -2.080 116.653 119.300 -0.945 0.000 3.306 633 C HA 0.701 5.159 4.460 -0.004 0.000 0.335 633 C C -1.196 173.589 174.990 -0.342 0.000 1.382 633 C CA -1.324 57.378 59.018 -0.528 0.000 1.254 633 C CB 0.990 28.617 27.740 -0.189 0.000 1.555 633 C HN 0.286 nan 8.230 nan 0.000 0.463 634 F N 1.508 121.441 119.950 -0.028 0.000 2.443 634 F HA 0.843 5.368 4.527 -0.003 0.000 0.335 634 F C -0.758 175.013 175.800 -0.048 0.000 1.104 634 F CA -1.317 56.703 58.000 0.034 0.000 1.013 634 F CB 0.924 40.014 39.000 0.150 0.000 1.136 634 F HN 0.675 nan 8.300 nan 0.000 0.470 635 L N 5.528 126.197 121.223 -0.924 0.000 2.334 635 L HA 0.723 5.060 4.340 -0.004 0.000 0.276 635 L C -0.361 175.700 176.870 -1.348 0.000 1.014 635 L CA -0.506 53.859 54.840 -0.792 0.000 0.815 635 L CB 1.825 43.663 42.059 -0.370 0.000 1.268 635 L HN 0.810 nan 8.230 nan 0.000 0.428 636 S N 0.814 116.057 115.700 -0.762 0.000 2.688 636 S HA 0.599 5.067 4.470 -0.004 0.000 0.275 636 S C 0.589 175.169 174.600 -0.034 0.000 1.175 636 S CA -0.155 57.666 58.200 -0.632 0.000 0.818 636 S CB 1.310 64.337 63.200 -0.288 0.000 1.157 636 S HN 0.642 nan 8.310 nan 0.000 0.482 637 A N 0.860 123.749 122.820 0.116 0.000 1.971 637 A HA -0.175 4.142 4.320 -0.004 0.000 0.222 637 A C 1.448 179.100 177.584 0.114 0.000 1.182 637 A CA 2.435 54.587 52.037 0.192 0.000 0.649 637 A CB -1.359 17.714 19.000 0.122 0.000 0.818 637 A HN 0.823 nan 8.150 nan 0.000 0.458 638 D N -0.144 120.298 120.400 0.070 0.000 2.348 638 D HA -0.042 4.596 4.640 -0.004 0.000 0.216 638 D C 0.816 177.150 176.300 0.058 0.000 0.970 638 D CA 0.748 54.780 54.000 0.054 0.000 0.889 638 D CB -0.235 40.593 40.800 0.046 0.000 0.912 638 D HN 0.467 nan 8.370 nan 0.000 0.524 639 D N 0.017 120.460 120.400 0.071 0.000 2.348 639 D HA 0.056 4.693 4.640 -0.004 0.000 0.211 639 D C 0.721 177.078 176.300 0.096 0.000 0.998 639 D CA -0.021 54.030 54.000 0.086 0.000 0.873 639 D CB 0.946 41.789 40.800 0.071 0.000 0.925 639 D HN 0.254 nan 8.370 nan 0.000 0.524 640 I N 3.369 123.979 120.570 0.067 0.000 2.452 640 I HA -0.009 4.159 4.170 -0.004 0.000 0.287 640 I C -0.914 175.166 176.117 -0.060 0.000 1.079 640 I CA -1.150 60.142 61.300 -0.014 0.000 1.387 640 I CB 1.336 39.317 38.000 -0.032 0.000 1.404 640 I HN -0.166 nan 8.210 nan 0.000 0.522 641 P HA -0.009 nan 4.420 nan 0.000 0.220 641 P C 1.018 178.242 177.300 -0.127 0.000 1.152 641 P CA 0.892 63.899 63.100 -0.155 0.000 0.812 641 P CB 0.474 31.945 31.700 -0.382 0.000 0.792 642 G N -0.855 107.853 108.800 -0.153 0.000 2.687 642 G HA2 0.190 4.148 3.960 -0.004 0.000 0.222 642 G HA3 0.190 4.148 3.960 -0.004 0.000 0.222 642 G C -0.161 174.688 174.900 -0.084 0.000 1.445 642 G CA 0.303 45.337 45.100 -0.110 0.000 0.836 642 G HN 0.373 nan 8.290 nan 0.000 0.598 643 S N -0.477 115.164 115.700 -0.098 0.000 2.575 643 S HA 0.386 4.853 4.470 -0.004 0.000 0.278 643 S C -0.612 173.926 174.600 -0.103 0.000 1.139 643 S CA -0.633 57.516 58.200 -0.085 0.000 0.954 643 S CB 1.664 64.814 63.200 -0.083 0.000 1.054 643 S HN 0.174 nan 8.310 nan 0.000 0.483 644 N N 2.890 121.543 118.700 -0.079 0.000 2.314 644 N HA 0.111 4.849 4.740 -0.004 0.000 0.200 644 N C -0.183 175.278 175.510 -0.083 0.000 1.135 644 N CA 0.020 53.021 53.050 -0.081 0.000 0.835 644 N CB 0.315 38.786 38.487 -0.026 0.000 0.989 644 N HN 0.772 nan 8.380 nan 0.000 0.478 645 E N -0.056 120.086 120.200 -0.097 0.000 2.113 645 E HA 0.285 4.633 4.350 -0.004 0.000 0.273 645 E C -0.819 175.669 176.600 -0.186 0.000 0.924 645 E CA -0.343 55.995 56.400 -0.103 0.000 0.764 645 E CB 0.959 30.618 29.700 -0.068 0.000 1.104 645 E HN 0.053 nan 8.360 nan 0.000 0.406 646 T N 2.245 116.657 114.554 -0.237 0.000 2.626 646 T HA 0.780 5.128 4.350 -0.004 0.000 0.279 646 T C -0.404 174.007 174.700 -0.482 0.000 0.983 646 T CA 0.396 62.221 62.100 -0.460 0.000 1.059 646 T CB 1.164 69.752 68.868 -0.466 0.000 1.396 646 T HN 0.979 nan 8.240 nan 0.000 0.519 647 G N 0.409 108.725 108.800 -0.806 0.000 2.690 647 G HA2 -0.018 3.939 3.960 -0.004 0.000 0.686 647 G HA3 -0.018 3.939 3.960 -0.004 0.000 0.686 647 G C 0.204 174.981 174.900 -0.205 0.000 1.277 647 G CA -0.128 44.755 45.100 -0.361 0.000 0.799 647 G HN 1.047 nan 8.290 nan 0.000 0.613 648 L N 0.258 121.525 121.223 0.075 0.000 2.043 648 L HA 0.198 4.535 4.340 -0.004 0.000 0.212 648 L C 2.104 178.725 176.870 -0.415 0.000 1.075 648 L CA 2.442 57.259 54.840 -0.038 0.000 0.752 648 L CB -0.481 41.533 42.059 -0.074 0.000 0.891 648 L HN 0.573 nan 8.230 nan 0.000 0.432 649 F N -0.803 119.165 119.950 0.030 0.000 2.684 649 F HA 0.271 4.795 4.527 -0.004 0.000 0.298 649 F C 1.088 176.867 175.800 -0.035 0.000 1.120 649 F CA -0.389 57.609 58.000 -0.004 0.000 1.332 649 F CB -0.224 38.759 39.000 -0.028 0.000 0.986 649 F HN 0.045 nan 8.300 nan 0.000 0.524 650 N N 1.666 120.368 118.700 0.002 0.000 2.747 650 N HA -0.186 4.551 4.740 -0.004 0.000 0.249 650 N C -0.174 175.334 175.510 -0.003 0.000 1.107 650 N CA 1.256 54.282 53.050 -0.040 0.000 0.707 650 N CB -0.890 37.589 38.487 -0.013 0.000 1.054 650 N HN 0.535 nan 8.380 nan 0.000 0.555 651 D N -1.039 119.369 120.400 0.013 0.000 2.501 651 D HA 0.143 4.780 4.640 -0.004 0.000 0.224 651 D C 0.053 176.361 176.300 0.013 0.000 1.202 651 D CA 0.096 54.112 54.000 0.026 0.000 0.829 651 D CB 0.187 41.009 40.800 0.036 0.000 1.023 651 D HN 0.365 nan 8.370 nan 0.000 0.499 652 E N 0.060 120.251 120.200 -0.016 0.000 2.299 652 E HA 0.445 4.792 4.350 -0.004 0.000 0.265 652 E C -0.371 176.227 176.600 -0.003 0.000 0.911 652 E CA -0.964 55.438 56.400 0.003 0.000 0.789 652 E CB 1.709 31.398 29.700 -0.017 0.000 1.246 652 E HN 0.105 nan 8.360 nan 0.000 0.427 653 T N -1.829 112.764 114.554 0.065 0.000 2.913 653 T HA 0.186 4.533 4.350 -0.004 0.000 0.287 653 T C 1.114 175.795 174.700 -0.031 0.000 1.008 653 T CA -0.798 61.320 62.100 0.031 0.000 1.067 653 T CB 1.220 70.140 68.868 0.087 0.000 0.996 653 T HN 0.181 nan 8.240 nan 0.000 0.513 654 V N 0.626 120.458 119.914 -0.136 0.000 2.323 654 V HA 0.145 4.262 4.120 -0.004 0.000 0.244 654 V C 0.385 176.272 176.094 -0.346 0.000 1.041 654 V CA 1.121 63.235 62.300 -0.310 0.000 1.025 654 V CB -0.710 30.833 31.823 -0.467 0.000 0.656 654 V HN 0.855 nan 8.190 nan 0.000 0.451 655 F N -0.795 119.130 119.950 -0.043 0.000 2.518 655 F HA 0.694 5.219 4.527 -0.004 0.000 0.323 655 F C 0.325 176.075 175.800 -0.083 0.000 1.129 655 F CA -1.004 56.956 58.000 -0.067 0.000 0.920 655 F CB 1.231 40.186 39.000 -0.075 0.000 1.160 655 F HN -0.009 nan 8.300 nan 0.000 0.440 656 A N 3.745 126.572 122.820 0.011 0.000 2.567 656 A HA 0.085 4.402 4.320 -0.004 0.000 0.240 656 A C 0.891 178.489 177.584 0.022 0.000 1.053 656 A CA 0.154 52.130 52.037 -0.101 0.000 0.755 656 A CB 0.513 19.277 19.000 -0.393 0.000 0.978 656 A HN 1.023 nan 8.150 nan 0.000 0.507 657 K N 0.600 121.032 120.400 0.052 0.000 2.157 657 K HA 0.038 4.356 4.320 -0.004 0.000 0.207 657 K C 0.389 177.022 176.600 0.055 0.000 1.030 657 K CA 0.982 57.304 56.287 0.058 0.000 0.965 657 K CB 0.240 32.776 32.500 0.060 0.000 0.877 657 K HN 0.709 nan 8.250 nan 0.000 0.460 658 D N -0.495 119.946 120.400 0.068 0.000 2.454 658 D HA 0.016 4.653 4.640 -0.004 0.000 0.219 658 D C -0.105 176.250 176.300 0.092 0.000 1.081 658 D CA 0.549 54.589 54.000 0.067 0.000 0.867 658 D CB 1.292 42.129 40.800 0.060 0.000 1.054 658 D HN 0.303 nan 8.370 nan 0.000 0.500 659 T N -0.192 114.437 114.554 0.126 0.000 2.952 659 T HA 0.477 4.824 4.350 -0.004 0.000 0.305 659 T C -0.455 174.394 174.700 0.249 0.000 1.064 659 T CA -0.819 61.390 62.100 0.182 0.000 1.008 659 T CB 1.811 70.796 68.868 0.194 0.000 1.078 659 T HN -0.137 nan 8.240 nan 0.000 0.459 660 V N 2.637 122.730 119.914 0.298 0.000 2.567 660 V HA 0.779 4.897 4.120 -0.004 0.000 0.289 660 V C 0.846 177.194 176.094 0.422 0.000 1.049 660 V CA 0.119 62.690 62.300 0.452 0.000 0.969 660 V CB 0.917 32.953 31.823 0.355 0.000 0.995 660 V HN 1.152 nan 8.190 nan 0.000 0.471 661 T N -0.865 113.899 114.554 0.349 0.000 3.170 661 T HA 0.418 4.766 4.350 -0.004 0.000 0.288 661 T C 0.178 174.802 174.700 -0.126 0.000 0.992 661 T CA 0.321 62.395 62.100 -0.044 0.000 0.909 661 T CB -0.751 67.999 68.868 -0.197 0.000 1.133 661 T HN 1.611 nan 8.240 nan 0.000 0.530 662 C N -1.624 117.666 119.300 -0.017 0.000 3.292 662 C HA 0.675 5.133 4.460 -0.004 0.000 0.338 662 C C 1.294 176.326 174.990 0.070 0.000 1.323 662 C CA -0.715 58.297 59.018 -0.010 0.000 1.232 662 C CB 0.763 28.470 27.740 -0.056 0.000 1.517 662 C HN 0.020 nan 8.230 nan 0.000 0.470 663 V N 2.031 121.972 119.914 0.045 0.000 2.392 663 V HA -0.027 4.091 4.120 -0.004 0.000 0.249 663 V C 2.568 178.723 176.094 0.101 0.000 1.059 663 V CA 2.928 65.264 62.300 0.059 0.000 1.051 663 V CB -1.058 30.790 31.823 0.040 0.000 0.658 663 V HN 1.236 nan 8.190 nan 0.000 0.455 664 G N -1.947 106.916 108.800 0.105 0.000 2.776 664 G HA2 -0.151 3.806 3.960 -0.004 0.000 0.209 664 G HA3 -0.151 3.806 3.960 -0.004 0.000 0.209 664 G C 0.556 175.572 174.900 0.193 0.000 1.145 664 G CA -0.163 45.015 45.100 0.130 0.000 0.791 664 G HN 0.643 nan 8.290 nan 0.000 0.530 665 H N 0.152 119.275 119.070 0.088 0.000 2.899 665 H HA 0.229 4.782 4.556 -0.004 0.000 0.303 665 H C 0.010 175.418 175.328 0.133 0.000 1.042 665 H CA -0.882 55.227 56.048 0.102 0.000 1.479 665 H CB 0.480 30.303 29.762 0.100 0.000 1.493 665 H HN -0.016 nan 8.280 nan 0.000 0.534 666 I N 7.145 127.848 120.570 0.221 0.000 2.517 666 I HA -0.125 4.042 4.170 -0.004 0.000 0.285 666 I C 1.024 177.181 176.117 0.067 0.000 1.106 666 I CA 0.334 61.729 61.300 0.159 0.000 1.402 666 I CB 0.791 38.930 38.000 0.231 0.000 1.399 666 I HN 0.690 nan 8.210 nan 0.000 0.535 667 I N 4.553 125.168 120.570 0.075 0.000 2.927 667 I HA 0.268 4.436 4.170 -0.004 0.000 0.268 667 I C 1.226 177.255 176.117 -0.146 0.000 1.153 667 I CA 0.302 61.616 61.300 0.022 0.000 1.459 667 I CB 0.100 38.140 38.000 0.066 0.000 1.149 667 I HN 0.746 nan 8.210 nan 0.000 0.443 668 G N 0.203 108.835 108.800 -0.281 0.000 2.490 668 G HA2 0.733 4.690 3.960 -0.004 0.000 0.308 668 G HA3 0.733 4.690 3.960 -0.004 0.000 0.308 668 G C -2.075 172.469 174.900 -0.594 0.000 1.286 668 G CA 0.127 44.632 45.100 -0.992 0.000 0.825 668 G HN 0.210 nan 8.290 nan 0.000 0.479 669 A N -1.280 121.143 122.820 -0.663 0.000 2.566 669 A HA 0.723 5.041 4.320 -0.004 0.000 0.297 669 A C -1.248 176.301 177.584 -0.058 0.000 1.059 669 A CA -0.393 51.561 52.037 -0.138 0.000 0.691 669 A CB 1.571 20.583 19.000 0.019 0.000 1.282 669 A HN 1.508 nan 8.150 nan 0.000 0.401 670 V N 1.441 121.446 119.914 0.151 0.000 2.539 670 V HA 0.549 4.667 4.120 -0.004 0.000 0.292 670 V C -0.158 175.959 176.094 0.038 0.000 1.045 670 V CA -0.384 62.024 62.300 0.179 0.000 0.945 670 V CB 1.627 33.644 31.823 0.323 0.000 0.993 670 V HN 0.700 nan 8.190 nan 0.000 0.464 671 V N 3.782 123.628 119.914 -0.113 0.000 2.495 671 V HA 0.910 5.027 4.120 -0.004 0.000 0.298 671 V C 0.231 176.232 176.094 -0.155 0.000 1.031 671 V CA -0.086 62.156 62.300 -0.098 0.000 0.871 671 V CB 1.316 33.058 31.823 -0.134 0.000 0.988 671 V HN 1.095 nan 8.190 nan 0.000 0.432 672 A N 3.092 125.925 122.820 0.023 0.000 2.524 672 A HA 0.717 5.034 4.320 -0.004 0.000 0.289 672 A C 0.368 178.068 177.584 0.193 0.000 1.248 672 A CA 0.033 52.119 52.037 0.082 0.000 0.712 672 A CB 1.376 20.486 19.000 0.184 0.000 1.312 672 A HN 0.733 nan 8.150 nan 0.000 0.441 673 D N -0.613 119.923 120.400 0.227 0.000 2.349 673 D HA 0.109 4.747 4.640 -0.004 0.000 0.215 673 D C 0.500 176.960 176.300 0.268 0.000 1.016 673 D CA 1.355 55.511 54.000 0.260 0.000 0.870 673 D CB -0.034 40.890 40.800 0.208 0.000 0.917 673 D HN 0.744 nan 8.370 nan 0.000 0.524 674 T N -4.637 109.970 114.554 0.088 0.000 2.843 674 T HA 0.411 4.759 4.350 -0.004 0.000 0.302 674 T C -2.600 171.828 174.700 -0.452 0.000 1.232 674 T CA -1.306 60.541 62.100 -0.422 0.000 1.009 674 T CB 2.367 70.961 68.868 -0.457 0.000 1.254 674 T HN -0.378 nan 8.240 nan 0.000 0.504 675 P HA 0.111 nan 4.420 nan 0.000 0.222 675 P C 0.938 178.149 177.300 -0.149 0.000 1.153 675 P CA 0.819 63.722 63.100 -0.328 0.000 0.798 675 P CB 0.207 31.694 31.700 -0.356 0.000 0.796 676 E N -0.800 119.265 120.200 -0.225 0.000 2.028 676 E HA -0.187 4.161 4.350 -0.004 0.000 0.191 676 E C 2.140 178.737 176.600 -0.004 0.000 0.988 676 E CA 1.184 57.502 56.400 -0.135 0.000 0.799 676 E CB -0.930 28.641 29.700 -0.216 0.000 0.755 676 E HN 0.356 nan 8.360 nan 0.000 0.447 677 H N 0.017 119.080 119.070 -0.011 0.000 2.387 677 H HA 0.014 4.567 4.556 -0.004 0.000 0.299 677 H C 1.958 177.346 175.328 0.100 0.000 1.090 677 H CA 1.346 57.424 56.048 0.051 0.000 1.332 677 H CB -0.676 29.124 29.762 0.064 0.000 1.386 677 H HN 0.238 nan 8.280 nan 0.000 0.516 678 A N 0.917 123.863 122.820 0.210 0.000 1.877 678 A HA -0.201 4.116 4.320 -0.004 0.000 0.216 678 A C 2.400 180.091 177.584 0.179 0.000 1.186 678 A CA 1.693 53.849 52.037 0.199 0.000 0.620 678 A CB -0.477 18.634 19.000 0.184 0.000 0.822 678 A HN 0.532 nan 8.150 nan 0.000 0.443 679 E N -0.356 119.923 120.200 0.133 0.000 2.058 679 E HA -0.269 4.078 4.350 -0.004 0.000 0.194 679 E C 2.305 178.991 176.600 0.143 0.000 0.997 679 E CA 1.433 57.905 56.400 0.119 0.000 0.801 679 E CB -0.180 29.562 29.700 0.070 0.000 0.746 679 E HN 0.576 nan 8.360 nan 0.000 0.450 680 R N -0.259 120.329 120.500 0.146 0.000 2.081 680 R HA -0.121 4.216 4.340 -0.004 0.000 0.235 680 R C 2.260 178.667 176.300 0.177 0.000 1.131 680 R CA 1.281 57.473 56.100 0.154 0.000 0.960 680 R CB -0.238 30.154 30.300 0.152 0.000 0.856 680 R HN 0.231 nan 8.270 nan 0.000 0.436 681 A N 0.480 123.413 122.820 0.188 0.000 1.897 681 A HA -0.019 4.298 4.320 -0.004 0.000 0.215 681 A C 2.287 179.966 177.584 0.158 0.000 1.181 681 A CA 1.393 53.535 52.037 0.175 0.000 0.620 681 A CB -0.588 18.617 19.000 0.341 0.000 0.821 681 A HN 0.491 nan 8.150 nan 0.000 0.443 682 A N -0.620 122.318 122.820 0.196 0.000 1.933 682 A HA -0.202 4.116 4.320 -0.004 0.000 0.218 682 A C 1.972 179.628 177.584 0.120 0.000 1.175 682 A CA 2.094 54.233 52.037 0.171 0.000 0.628 682 A CB -0.904 18.207 19.000 0.185 0.000 0.814 682 A HN 0.807 nan 8.150 nan 0.000 0.444 683 H N -1.169 117.940 119.070 0.066 0.000 2.456 683 H HA 0.025 4.578 4.556 -0.004 0.000 0.296 683 H C 1.368 176.706 175.328 0.017 0.000 1.079 683 H CA 1.718 57.793 56.048 0.045 0.000 1.322 683 H CB -0.012 29.777 29.762 0.044 0.000 1.388 683 H HN 0.142 nan 8.280 nan 0.000 0.538 684 V N 0.530 120.358 119.914 -0.143 0.000 3.621 684 V HA 0.128 4.246 4.120 -0.004 0.000 0.285 684 V C 0.159 176.138 176.094 -0.191 0.000 1.346 684 V CA 0.092 62.270 62.300 -0.204 0.000 1.104 684 V CB 0.157 31.927 31.823 -0.089 0.000 0.913 684 V HN 0.150 nan 8.190 nan 0.000 0.432 685 V N 1.727 121.541 119.914 -0.167 0.000 2.585 685 V HA 0.098 4.215 4.120 -0.004 0.000 0.296 685 V C 0.261 176.225 176.094 -0.216 0.000 1.035 685 V CA 0.277 62.440 62.300 -0.229 0.000 1.084 685 V CB 0.687 32.363 31.823 -0.244 0.000 0.953 685 V HN 0.376 nan 8.190 nan 0.000 0.483 686 K N 3.888 124.146 120.400 -0.236 0.000 2.339 686 K HA 0.600 4.918 4.320 -0.004 0.000 0.264 686 K C -1.131 175.335 176.600 -0.223 0.000 0.986 686 K CA -0.426 55.745 56.287 -0.193 0.000 0.866 686 K CB 1.835 34.236 32.500 -0.165 0.000 1.103 686 K HN 0.511 nan 8.250 nan 0.000 0.441 687 V N 2.512 122.283 119.914 -0.238 0.000 2.435 687 V HA 0.404 4.521 4.120 -0.004 0.000 0.290 687 V C 0.120 175.922 176.094 -0.486 0.000 1.030 687 V CA -0.822 61.238 62.300 -0.401 0.000 0.881 687 V CB 1.493 32.995 31.823 -0.535 0.000 0.983 687 V HN 0.878 nan 8.190 nan 0.000 0.445 688 T N 1.455 115.741 114.554 -0.446 0.000 2.856 688 T HA 0.794 5.141 4.350 -0.004 0.000 0.283 688 T C -1.069 173.419 174.700 -0.353 0.000 1.008 688 T CA -0.606 61.317 62.100 -0.296 0.000 0.997 688 T CB 1.407 70.202 68.868 -0.122 0.000 0.992 688 T HN 0.394 nan 8.240 nan 0.000 0.454 689 Y N -0.159 120.136 120.300 -0.007 0.000 2.570 689 Y HA 0.619 5.166 4.550 -0.004 0.000 0.345 689 Y C 0.193 176.090 175.900 -0.006 0.000 1.014 689 Y CA -1.154 56.946 58.100 0.000 0.000 1.063 689 Y CB 2.248 40.714 38.460 0.009 0.000 1.272 689 Y HN 0.796 nan 8.280 nan 0.000 0.477 690 E N 1.823 122.127 120.200 0.174 0.000 2.235 690 E HA 0.210 4.558 4.350 -0.004 0.000 0.252 690 E C -1.597 175.028 176.600 0.042 0.000 0.886 690 E CA -0.833 55.616 56.400 0.083 0.000 0.767 690 E CB 0.745 30.469 29.700 0.040 0.000 1.205 690 E HN 0.566 nan 8.360 nan 0.000 0.421 691 D N 3.660 124.068 120.400 0.015 0.000 2.488 691 D HA 0.121 4.758 4.640 -0.004 0.000 0.238 691 D C -0.203 176.039 176.300 -0.097 0.000 1.138 691 D CA 0.689 54.665 54.000 -0.041 0.000 0.873 691 D CB 0.617 41.397 40.800 -0.033 0.000 1.183 691 D HN 0.399 nan 8.370 nan 0.000 0.458 692 L N 3.681 124.782 121.223 -0.202 0.000 2.341 692 L HA 0.427 4.765 4.340 -0.004 0.000 0.267 692 L C -2.185 174.540 176.870 -0.242 0.000 1.009 692 L CA -2.088 52.554 54.840 -0.329 0.000 0.819 692 L CB 2.223 43.852 42.059 -0.718 0.000 1.323 692 L HN 0.175 nan 8.230 nan 0.000 0.425 693 P HA 0.135 nan 4.420 nan 0.000 0.271 693 P C -0.984 176.404 177.300 0.147 0.000 1.226 693 P CA -0.118 62.983 63.100 0.002 0.000 0.765 693 P CB 1.120 32.819 31.700 -0.002 0.000 0.835 694 A N 4.629 127.515 122.820 0.110 0.000 2.295 694 A HA 0.669 4.987 4.320 -0.004 0.000 0.318 694 A C -0.101 177.489 177.584 0.010 0.000 1.134 694 A CA -0.841 51.261 52.037 0.108 0.000 0.827 694 A CB 0.499 19.537 19.000 0.062 0.000 1.136 694 A HN 0.534 nan 8.150 nan 0.000 0.493 695 I N 2.797 123.341 120.570 -0.043 0.000 2.410 695 I HA 0.266 4.433 4.170 -0.004 0.000 0.286 695 I C -0.004 176.047 176.117 -0.110 0.000 1.009 695 I CA -0.246 61.002 61.300 -0.088 0.000 1.111 695 I CB 1.466 39.391 38.000 -0.125 0.000 1.262 695 I HN 0.598 nan 8.210 nan 0.000 0.443 696 I N 2.598 123.104 120.570 -0.106 0.000 3.570 696 I HA 0.063 4.231 4.170 -0.004 0.000 0.270 696 I C 1.249 177.287 176.117 -0.131 0.000 1.162 696 I CA 0.808 62.033 61.300 -0.125 0.000 1.413 696 I CB -0.038 37.895 38.000 -0.112 0.000 1.437 696 I HN 0.508 nan 8.210 nan 0.000 0.457 697 T N -0.890 113.599 114.554 -0.108 0.000 2.902 697 T HA 0.505 4.852 4.350 -0.004 0.000 0.280 697 T C 1.418 176.072 174.700 -0.078 0.000 0.992 697 T CA -0.497 61.550 62.100 -0.090 0.000 1.015 697 T CB 2.036 70.851 68.868 -0.088 0.000 1.044 697 T HN 0.014 nan 8.240 nan 0.000 0.520 698 I N 0.897 121.448 120.570 -0.032 0.000 2.151 698 I HA -0.231 3.936 4.170 -0.004 0.000 0.243 698 I C 2.535 178.596 176.117 -0.093 0.000 1.080 698 I CA 1.707 62.995 61.300 -0.021 0.000 1.339 698 I CB -0.490 37.554 38.000 0.074 0.000 1.039 698 I HN 0.732 nan 8.210 nan 0.000 0.409 699 E N 0.769 120.909 120.200 -0.099 0.000 2.118 699 E HA -0.230 4.118 4.350 -0.004 0.000 0.195 699 E C 1.735 178.266 176.600 -0.115 0.000 0.992 699 E CA 1.340 57.671 56.400 -0.115 0.000 0.804 699 E CB -0.402 29.242 29.700 -0.093 0.000 0.741 699 E HN 0.429 nan 8.360 nan 0.000 0.458 700 D N 0.496 120.831 120.400 -0.109 0.000 2.104 700 D HA -0.156 4.482 4.640 -0.004 0.000 0.194 700 D C 1.919 178.120 176.300 -0.165 0.000 0.994 700 D CA 1.758 55.688 54.000 -0.116 0.000 0.830 700 D CB -0.435 40.301 40.800 -0.106 0.000 0.959 700 D HN 0.255 nan 8.370 nan 0.000 0.452 701 A N 0.404 123.102 122.820 -0.204 0.000 1.930 701 A HA -0.116 4.202 4.320 -0.004 0.000 0.217 701 A C 2.392 179.687 177.584 -0.482 0.000 1.175 701 A CA 0.859 52.693 52.037 -0.339 0.000 0.627 701 A CB -0.650 18.156 19.000 -0.323 0.000 0.815 701 A HN 0.201 nan 8.150 nan 0.000 0.443 702 I N -0.384 120.009 120.570 -0.296 0.000 2.179 702 I HA -0.264 3.904 4.170 -0.004 0.000 0.242 702 I C 2.509 178.558 176.117 -0.114 0.000 1.088 702 I CA 1.834 63.047 61.300 -0.144 0.000 1.357 702 I CB -0.246 37.703 38.000 -0.084 0.000 1.051 702 I HN 0.332 nan 8.210 nan 0.000 0.409 703 K N 0.872 121.202 120.400 -0.115 0.000 2.211 703 K HA -0.174 4.143 4.320 -0.004 0.000 0.204 703 K C 1.343 177.889 176.600 -0.090 0.000 1.047 703 K CA 1.439 57.678 56.287 -0.080 0.000 0.935 703 K CB -0.032 32.424 32.500 -0.073 0.000 0.728 703 K HN 0.409 nan 8.250 nan 0.000 0.452 704 N N 0.712 119.323 118.700 -0.148 0.000 2.205 704 N HA -0.061 4.677 4.740 -0.004 0.000 0.201 704 N C -0.506 174.895 175.510 -0.181 0.000 1.128 704 N CA 0.078 53.042 53.050 -0.143 0.000 0.867 704 N CB 0.316 38.715 38.487 -0.146 0.000 0.996 704 N HN 0.170 nan 8.380 nan 0.000 0.503 705 N N 0.875 119.420 118.700 -0.260 0.000 2.746 705 N HA -0.179 4.559 4.740 -0.004 0.000 0.250 705 N C -1.341 173.932 175.510 -0.395 0.000 1.055 705 N CA 0.324 53.231 53.050 -0.238 0.000 0.699 705 N CB -1.261 37.225 38.487 -0.001 0.000 0.919 705 N HN -0.026 nan 8.380 nan 0.000 0.548 706 S N 1.482 116.700 115.700 -0.802 0.000 2.406 706 S HA 0.629 5.096 4.470 -0.004 0.000 0.224 706 S C -0.967 173.204 174.600 -0.715 0.000 1.426 706 S CA -0.501 57.369 58.200 -0.549 0.000 1.179 706 S CB -0.122 62.825 63.200 -0.422 0.000 1.042 706 S HN 0.308 nan 8.310 nan 0.000 0.479 707 F N 2.142 121.969 119.950 -0.204 0.000 2.577 707 F HA 0.499 5.024 4.527 -0.004 0.000 0.318 707 F C -0.628 174.999 175.800 -0.288 0.000 1.065 707 F CA -1.208 56.663 58.000 -0.216 0.000 0.929 707 F CB 1.453 40.408 39.000 -0.074 0.000 1.237 707 F HN 0.329 nan 8.300 nan 0.000 0.468 708 Y N 1.346 121.759 120.300 0.189 0.000 2.350 708 Y HA 0.505 5.052 4.550 -0.004 0.000 0.340 708 Y C 0.826 176.753 175.900 0.045 0.000 1.006 708 Y CA -0.089 58.055 58.100 0.073 0.000 1.166 708 Y CB 0.829 39.301 38.460 0.019 0.000 1.168 708 Y HN 0.881 nan 8.280 nan 0.000 0.502 709 G N 1.911 110.809 108.800 0.163 0.000 2.750 709 G HA2 -0.163 3.794 3.960 -0.004 0.000 0.228 709 G HA3 -0.163 3.794 3.960 -0.004 0.000 0.228 709 G C -0.368 174.549 174.900 0.028 0.000 1.367 709 G CA -0.468 44.670 45.100 0.064 0.000 0.871 709 G HN 0.889 nan 8.290 nan 0.000 0.560 710 S N -0.910 114.780 115.700 -0.016 0.000 2.738 710 S HA 0.669 5.137 4.470 -0.004 0.000 0.284 710 S C 0.234 174.763 174.600 -0.118 0.000 1.146 710 S CA 0.132 58.293 58.200 -0.065 0.000 0.997 710 S CB 1.875 65.049 63.200 -0.044 0.000 1.081 710 S HN 1.029 nan 8.310 nan 0.000 0.553 711 E N -0.100 120.006 120.200 -0.157 0.000 2.384 711 E HA 0.165 4.513 4.350 -0.004 0.000 0.266 711 E C -1.132 175.374 176.600 -0.157 0.000 1.012 711 E CA -0.180 56.106 56.400 -0.190 0.000 0.901 711 E CB 0.351 29.943 29.700 -0.179 0.000 0.967 711 E HN 0.494 nan 8.360 nan 0.000 0.435 712 L N 4.271 125.371 121.223 -0.206 0.000 2.343 712 L HA 0.414 4.752 4.340 -0.004 0.000 0.275 712 L C -0.067 176.740 176.870 -0.104 0.000 1.056 712 L CA -0.142 54.554 54.840 -0.239 0.000 0.804 712 L CB 1.103 42.924 42.059 -0.397 0.000 1.203 712 L HN 0.508 nan 8.230 nan 0.000 0.440 713 K N 3.566 123.980 120.400 0.022 0.000 2.525 713 K HA 0.597 4.915 4.320 -0.004 0.000 0.254 713 K C -1.702 175.074 176.600 0.293 0.000 0.934 713 K CA -0.476 55.888 56.287 0.128 0.000 0.802 713 K CB 1.644 34.200 32.500 0.094 0.000 1.295 713 K HN 0.454 nan 8.250 nan 0.000 0.433 714 I N 2.720 123.446 120.570 0.260 0.000 2.436 714 I HA 0.361 4.529 4.170 -0.004 0.000 0.289 714 I C -0.817 175.440 176.117 0.233 0.000 1.010 714 I CA -0.637 60.828 61.300 0.275 0.000 1.098 714 I CB 2.042 40.216 38.000 0.290 0.000 1.266 714 I HN 0.629 nan 8.210 nan 0.000 0.434 715 E N 6.499 126.814 120.200 0.192 0.000 2.275 715 E HA 0.496 4.844 4.350 -0.004 0.000 0.270 715 E C -1.477 175.198 176.600 0.124 0.000 0.882 715 E CA -0.798 55.688 56.400 0.144 0.000 0.758 715 E CB 2.476 32.242 29.700 0.108 0.000 1.195 715 E HN 0.451 nan 8.360 nan 0.000 0.419 716 K N 2.474 122.936 120.400 0.103 0.000 2.502 716 K HA 0.628 4.946 4.320 -0.004 0.000 0.257 716 K C -0.184 176.436 176.600 0.033 0.000 0.938 716 K CA 0.122 56.453 56.287 0.073 0.000 0.819 716 K CB 1.765 34.322 32.500 0.095 0.000 1.333 716 K HN 0.748 nan 8.250 nan 0.000 0.434 717 G N 2.083 110.891 108.800 0.014 0.000 2.512 717 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.240 717 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.240 717 G C -1.225 173.668 174.900 -0.011 0.000 1.246 717 G CA 0.207 45.301 45.100 -0.011 0.000 0.919 717 G HN 0.652 nan 8.290 nan 0.000 0.577 718 D N 0.223 120.604 120.400 -0.032 0.000 2.336 718 D HA 0.469 5.106 4.640 -0.004 0.000 0.248 718 D C 1.493 177.766 176.300 -0.045 0.000 1.326 718 D CA -0.493 53.493 54.000 -0.023 0.000 0.973 718 D CB 0.597 41.386 40.800 -0.019 0.000 1.255 718 D HN 0.339 nan 8.370 nan 0.000 0.558 719 L N 1.783 122.992 121.223 -0.025 0.000 2.005 719 L HA -0.011 4.327 4.340 -0.004 0.000 0.207 719 L C 1.445 178.344 176.870 0.047 0.000 1.072 719 L CA 0.861 55.675 54.840 -0.044 0.000 0.744 719 L CB -0.068 42.030 42.059 0.065 0.000 0.895 719 L HN 0.229 nan 8.230 nan 0.000 0.433 720 K N 1.089 121.552 120.400 0.105 0.000 2.095 720 K HA -0.026 4.292 4.320 -0.004 0.000 0.258 720 K C 0.319 176.957 176.600 0.064 0.000 1.120 720 K CA 0.686 57.046 56.287 0.122 0.000 1.026 720 K CB 0.079 32.627 32.500 0.080 0.000 1.256 720 K HN 0.245 nan 8.250 nan 0.000 0.360 721 K N 0.633 121.070 120.400 0.061 0.000 1.302 721 K HA -0.104 4.213 4.320 -0.004 0.000 0.165 721 K C 1.309 177.890 176.600 -0.031 0.000 2.401 721 K CA 0.798 57.090 56.287 0.008 0.000 1.170 721 K CB -1.218 31.275 32.500 -0.011 0.000 2.673 721 K HN 0.462 nan 8.250 nan 0.000 0.315 722 G N 0.856 109.594 108.800 -0.104 0.000 2.422 722 G HA2 -0.152 3.806 3.960 -0.004 0.000 0.218 722 G HA3 -0.152 3.806 3.960 -0.004 0.000 0.218 722 G C 1.318 176.103 174.900 -0.191 0.000 1.146 722 G CA 1.049 46.033 45.100 -0.193 0.000 0.769 722 G HN 0.240 nan 8.290 nan 0.000 0.547 723 F N 1.259 121.182 119.950 -0.045 0.000 2.293 723 F HA -0.032 4.492 4.527 -0.004 0.000 0.300 723 F C 2.941 178.709 175.800 -0.054 0.000 1.086 723 F CA 0.789 58.757 58.000 -0.053 0.000 1.375 723 F CB 0.215 39.188 39.000 -0.045 0.000 1.045 723 F HN 0.080 nan 8.300 nan 0.000 0.516 724 S N -0.662 115.108 115.700 0.116 0.000 2.428 724 S HA -0.164 4.304 4.470 -0.004 0.000 0.230 724 S C 1.759 176.367 174.600 0.013 0.000 1.014 724 S CA 1.032 59.262 58.200 0.050 0.000 0.957 724 S CB -0.118 63.101 63.200 0.032 0.000 0.784 724 S HN 0.273 nan 8.310 nan 0.000 0.499 725 E N 1.551 121.746 120.200 -0.007 0.000 2.415 725 E HA 0.343 4.691 4.350 -0.004 0.000 0.197 725 E C 0.507 177.082 176.600 -0.041 0.000 1.007 725 E CA -0.021 56.363 56.400 -0.028 0.000 0.890 725 E CB -0.024 29.652 29.700 -0.040 0.000 0.891 725 E HN 0.341 nan 8.360 nan 0.000 0.496 726 A N 1.370 124.168 122.820 -0.036 0.000 2.524 726 A HA 0.012 4.329 4.320 -0.004 0.000 0.250 726 A C 0.668 178.185 177.584 -0.111 0.000 1.078 726 A CA 0.198 52.190 52.037 -0.074 0.000 0.761 726 A CB 0.113 19.097 19.000 -0.026 0.000 1.012 726 A HN 0.156 nan 8.150 nan 0.000 0.500 727 D N 1.423 121.728 120.400 -0.158 0.000 2.104 727 D HA -0.083 4.555 4.640 -0.004 0.000 0.194 727 D C 0.513 176.651 176.300 -0.270 0.000 0.994 727 D CA 1.530 55.424 54.000 -0.178 0.000 0.830 727 D CB 0.064 40.769 40.800 -0.158 0.000 0.959 727 D HN 0.666 nan 8.370 nan 0.000 0.452 728 N N -0.681 117.700 118.700 -0.532 0.000 2.453 728 N HA 0.446 5.184 4.740 -0.004 0.000 0.290 728 N C -1.137 174.062 175.510 -0.518 0.000 1.250 728 N CA -0.506 52.158 53.050 -0.645 0.000 0.815 728 N CB 3.251 41.097 38.487 -1.067 0.000 1.381 728 N HN -0.268 nan 8.380 nan 0.000 0.510 729 V N 1.510 121.296 119.914 -0.213 0.000 2.559 729 V HA 0.179 4.296 4.120 -0.004 0.000 0.289 729 V C -0.532 175.646 176.094 0.140 0.000 1.036 729 V CA -0.708 61.614 62.300 0.036 0.000 0.887 729 V CB 1.824 33.629 31.823 -0.030 0.000 1.022 729 V HN 0.343 nan 8.190 nan 0.000 0.442 730 V N 4.671 124.803 119.914 0.363 0.000 2.406 730 V HA 0.603 4.720 4.120 -0.004 0.000 0.272 730 V C 0.562 176.745 176.094 0.148 0.000 1.043 730 V CA 0.028 62.491 62.300 0.272 0.000 0.915 730 V CB 1.789 33.826 31.823 0.355 0.000 0.988 730 V HN 0.971 nan 8.190 nan 0.000 0.466 731 S N 3.934 119.632 115.700 -0.002 0.000 2.607 731 S HA 0.996 5.464 4.470 -0.004 0.000 0.303 731 S C -0.236 174.141 174.600 -0.372 0.000 1.086 731 S CA 0.005 58.081 58.200 -0.206 0.000 0.995 731 S CB 2.253 65.348 63.200 -0.174 0.000 1.084 731 S HN 1.294 nan 8.310 nan 0.000 0.507 732 G N 0.196 108.513 108.800 -0.806 0.000 2.506 732 G HA2 0.510 4.467 3.960 -0.004 0.000 0.292 732 G HA3 0.510 4.467 3.960 -0.004 0.000 0.292 732 G C -2.135 172.379 174.900 -0.643 0.000 1.425 732 G CA -0.700 43.954 45.100 -0.744 0.000 0.788 732 G HN 0.863 nan 8.290 nan 0.000 0.490 733 E N -0.934 119.189 120.200 -0.129 0.000 2.317 733 E HA 0.701 5.049 4.350 -0.004 0.000 0.270 733 E C -1.885 174.902 176.600 0.311 0.000 0.885 733 E CA -0.764 55.699 56.400 0.105 0.000 0.760 733 E CB 2.622 32.371 29.700 0.082 0.000 1.227 733 E HN 0.430 nan 8.360 nan 0.000 0.434 734 L N 3.594 125.052 121.223 0.392 0.000 2.434 734 L HA 0.537 4.874 4.340 -0.004 0.000 0.260 734 L C -2.055 175.079 176.870 0.439 0.000 0.983 734 L CA -0.628 54.456 54.840 0.406 0.000 0.820 734 L CB 1.894 44.178 42.059 0.374 0.000 1.361 734 L HN 0.641 nan 8.230 nan 0.000 0.410 735 Y N 4.321 124.798 120.300 0.295 0.000 2.477 735 Y HA 0.712 5.259 4.550 -0.004 0.000 0.347 735 Y C -1.381 174.690 175.900 0.285 0.000 0.981 735 Y CA -0.857 57.407 58.100 0.274 0.000 1.033 735 Y CB 1.754 40.337 38.460 0.205 0.000 1.245 735 Y HN 0.623 nan 8.280 nan 0.000 0.455 736 I N 5.593 125.947 120.570 -0.359 0.000 2.418 736 I HA 0.663 4.830 4.170 -0.004 0.000 0.287 736 I C 0.104 175.842 176.117 -0.631 0.000 1.008 736 I CA -0.521 60.571 61.300 -0.346 0.000 1.104 736 I CB 1.015 38.915 38.000 -0.166 0.000 1.264 736 I HN 0.849 nan 8.210 nan 0.000 0.438 737 G N 4.440 113.039 108.800 -0.335 0.000 2.636 737 G HA2 0.435 4.393 3.960 -0.004 0.000 0.246 737 G HA3 0.435 4.393 3.960 -0.004 0.000 0.246 737 G C 0.334 175.159 174.900 -0.124 0.000 1.216 737 G CA 0.057 45.093 45.100 -0.107 0.000 0.854 737 G HN 0.853 nan 8.290 nan 0.000 0.572 738 G N -1.450 107.355 108.800 0.009 0.000 2.504 738 G HA2 0.519 4.476 3.960 -0.004 0.000 0.257 738 G HA3 0.519 4.476 3.960 -0.004 0.000 0.257 738 G C -0.306 174.576 174.900 -0.030 0.000 1.451 738 G CA -0.272 44.828 45.100 0.000 0.000 1.059 738 G HN 0.720 nan 8.290 nan 0.000 0.550 739 Q N -1.310 118.489 119.800 -0.001 0.000 2.403 739 Q HA 0.240 4.578 4.340 -0.004 0.000 0.267 739 Q C -2.195 173.909 176.000 0.173 0.000 0.991 739 Q CA -0.622 55.194 55.803 0.022 0.000 0.906 739 Q CB 2.427 30.911 28.738 -0.424 0.000 1.422 739 Q HN 0.572 nan 8.270 nan 0.000 0.400 740 D N -0.098 120.384 120.400 0.137 0.000 2.255 740 D HA 0.209 4.846 4.640 -0.004 0.000 0.249 740 D C 0.490 176.875 176.300 0.141 0.000 1.078 740 D CA 0.073 54.068 54.000 -0.009 0.000 0.896 740 D CB 0.907 41.460 40.800 -0.411 0.000 1.194 740 D HN 0.537 nan 8.370 nan 0.000 0.429 741 H N 2.745 121.730 119.070 -0.143 0.000 2.363 741 H HA 0.055 4.609 4.556 -0.004 0.000 0.301 741 H C 0.523 175.666 175.328 -0.308 0.000 1.074 741 H CA 0.642 56.397 56.048 -0.488 0.000 1.354 741 H CB -0.201 29.145 29.762 -0.694 0.000 1.397 741 H HN 0.507 nan 8.280 nan 0.000 0.516 742 F N 0.454 120.125 119.950 -0.466 0.000 3.079 742 F HA -0.285 4.240 4.527 -0.004 0.000 0.274 742 F C -0.627 175.079 175.800 -0.157 0.000 0.940 742 F CA -0.459 57.376 58.000 -0.274 0.000 0.932 742 F CB -1.796 37.192 39.000 -0.020 0.000 0.891 742 F HN 0.155 nan 8.300 nan 0.000 0.722 743 Y N -0.906 119.583 120.300 0.314 0.000 2.811 743 Y HA 0.022 4.570 4.550 -0.004 0.000 0.334 743 Y C 1.167 177.161 175.900 0.157 0.000 1.247 743 Y CA -0.848 57.461 58.100 0.349 0.000 1.526 743 Y CB 0.008 38.557 38.460 0.148 0.000 1.284 743 Y HN 0.091 nan 8.280 nan 0.000 0.586 744 L N 1.189 122.612 121.223 0.332 0.000 2.191 744 L HA -0.090 4.247 4.340 -0.004 0.000 0.212 744 L C 1.010 177.941 176.870 0.102 0.000 1.103 744 L CA 1.441 56.398 54.840 0.196 0.000 0.769 744 L CB -0.575 41.576 42.059 0.153 0.000 0.908 744 L HN 0.853 nan 8.230 nan 0.000 0.438 745 E N 0.527 120.780 120.200 0.089 0.000 2.115 745 E HA 0.164 4.512 4.350 -0.004 0.000 0.282 745 E C 0.028 176.647 176.600 0.031 0.000 0.987 745 E CA -0.298 56.101 56.400 -0.002 0.000 0.797 745 E CB 1.053 30.696 29.700 -0.095 0.000 1.086 745 E HN 0.224 nan 8.360 nan 0.000 0.397 746 T N 1.339 115.925 114.554 0.054 0.000 2.652 746 T HA 0.081 4.429 4.350 -0.004 0.000 0.319 746 T C 0.656 175.283 174.700 -0.121 0.000 1.029 746 T CA -0.444 61.698 62.100 0.070 0.000 0.990 746 T CB 0.323 69.266 68.868 0.126 0.000 1.098 746 T HN 0.438 nan 8.240 nan 0.000 0.520 747 H N -1.157 117.831 119.070 -0.138 0.000 2.790 747 H HA 0.377 4.931 4.556 -0.004 0.000 0.358 747 H C -0.128 175.173 175.328 -0.045 0.000 1.103 747 H CA -0.005 55.959 56.048 -0.140 0.000 1.426 747 H CB 0.667 30.376 29.762 -0.089 0.000 1.424 747 H HN 0.690 nan 8.280 nan 0.000 0.599 748 C N 2.653 121.993 119.300 0.067 0.000 2.931 748 C HA 0.376 4.834 4.460 -0.004 0.000 0.370 748 C C -0.835 174.198 174.990 0.071 0.000 1.071 748 C CA -0.205 58.854 59.018 0.069 0.000 1.266 748 C CB 1.008 28.779 27.740 0.052 0.000 1.691 748 C HN 0.891 nan 8.230 nan 0.000 0.511 749 T N 5.942 120.545 114.554 0.083 0.000 2.933 749 T HA 0.596 4.943 4.350 -0.004 0.000 0.305 749 T C -1.067 173.690 174.700 0.094 0.000 1.092 749 T CA -0.257 61.895 62.100 0.086 0.000 1.008 749 T CB 1.257 70.166 68.868 0.069 0.000 1.102 749 T HN 0.588 nan 8.240 nan 0.000 0.469 750 I N 2.105 122.758 120.570 0.139 0.000 2.433 750 I HA 0.721 4.889 4.170 -0.004 0.000 0.292 750 I C -0.108 176.112 176.117 0.171 0.000 1.001 750 I CA -0.980 60.411 61.300 0.152 0.000 1.119 750 I CB 1.717 39.844 38.000 0.211 0.000 1.289 750 I HN 0.717 nan 8.210 nan 0.000 0.438 751 A N 7.398 130.286 122.820 0.112 0.000 2.330 751 A HA 0.827 5.145 4.320 -0.004 0.000 0.313 751 A C -0.829 176.807 177.584 0.085 0.000 1.124 751 A CA -0.396 51.688 52.037 0.078 0.000 0.774 751 A CB 0.689 19.717 19.000 0.046 0.000 1.198 751 A HN 0.652 nan 8.150 nan 0.000 0.465 752 I N 4.876 125.494 120.570 0.081 0.000 2.354 752 I HA 0.340 4.508 4.170 -0.004 0.000 0.286 752 I C -2.220 173.897 176.117 -0.001 0.000 1.007 752 I CA -1.937 59.393 61.300 0.051 0.000 1.167 752 I CB 2.310 40.388 38.000 0.129 0.000 1.320 752 I HN 0.418 nan 8.210 nan 0.000 0.458 753 P HA 0.196 nan 4.420 nan 0.000 0.287 753 P C -0.383 176.888 177.300 -0.049 0.000 1.281 753 P CA -0.576 62.515 63.100 -0.015 0.000 0.781 753 P CB 1.465 33.164 31.700 -0.002 0.000 0.903 754 K N 2.202 122.582 120.400 -0.035 0.000 2.426 754 K HA 0.126 4.443 4.320 -0.004 0.000 0.193 754 K C 1.547 178.121 176.600 -0.043 0.000 1.028 754 K CA 0.667 56.927 56.287 -0.044 0.000 1.047 754 K CB -0.723 31.761 32.500 -0.027 0.000 0.821 754 K HN 0.831 nan 8.250 nan 0.000 0.513 755 G N 1.619 110.398 108.800 -0.036 0.000 2.205 755 G HA2 -0.281 3.676 3.960 -0.004 0.000 0.261 755 G HA3 -0.281 3.676 3.960 -0.004 0.000 0.261 755 G C -0.228 174.657 174.900 -0.024 0.000 0.980 755 G CA 0.216 45.293 45.100 -0.039 0.000 0.632 755 G HN 0.408 nan 8.290 nan 0.000 0.533 756 E N 0.302 120.492 120.200 -0.016 0.000 2.155 756 E HA 0.489 4.836 4.350 -0.004 0.000 0.264 756 E C 0.322 176.922 176.600 0.000 0.000 0.886 756 E CA -0.726 55.669 56.400 -0.009 0.000 0.752 756 E CB 1.000 30.693 29.700 -0.012 0.000 1.133 756 E HN 0.172 nan 8.360 nan 0.000 0.414 757 E N 1.452 121.655 120.200 0.006 0.000 3.286 757 E HA -0.249 4.098 4.350 -0.004 0.000 0.292 757 E C 0.668 177.278 176.600 0.018 0.000 0.928 757 E CA 1.139 57.545 56.400 0.010 0.000 0.982 757 E CB -1.419 28.282 29.700 0.002 0.000 1.500 757 E HN 1.129 nan 8.360 nan 0.000 0.441 758 G N 0.362 109.182 108.800 0.033 0.000 2.148 758 G HA2 -0.350 3.608 3.960 -0.004 0.000 0.254 758 G HA3 -0.350 3.608 3.960 -0.004 0.000 0.254 758 G C 0.039 174.956 174.900 0.027 0.000 0.981 758 G CA 0.596 45.726 45.100 0.050 0.000 0.670 758 G HN 0.341 nan 8.290 nan 0.000 0.528 759 E N -0.322 119.885 120.200 0.011 0.000 2.384 759 E HA 0.466 4.814 4.350 -0.004 0.000 0.266 759 E C 0.341 176.939 176.600 -0.003 0.000 1.012 759 E CA 0.425 56.823 56.400 -0.003 0.000 0.901 759 E CB 0.650 30.344 29.700 -0.010 0.000 0.967 759 E HN 0.439 nan 8.360 nan 0.000 0.435 760 M N 2.581 122.172 119.600 -0.015 0.000 2.378 760 M HA 0.208 4.686 4.480 -0.004 0.000 0.289 760 M C -1.492 174.774 176.300 -0.055 0.000 1.136 760 M CA -0.448 54.840 55.300 -0.020 0.000 0.917 760 M CB 2.219 34.816 32.600 -0.004 0.000 1.669 760 M HN 0.394 nan 8.290 nan 0.000 0.461 761 E N 3.860 124.019 120.200 -0.069 0.000 2.158 761 E HA 0.616 4.964 4.350 -0.004 0.000 0.271 761 E C -2.035 174.425 176.600 -0.235 0.000 0.911 761 E CA -0.623 55.679 56.400 -0.165 0.000 0.767 761 E CB 1.329 30.946 29.700 -0.139 0.000 1.120 761 E HN 0.545 nan 8.360 nan 0.000 0.405 762 L N 4.406 125.419 121.223 -0.351 0.000 2.386 762 L HA 0.499 4.837 4.340 -0.004 0.000 0.271 762 L C -1.110 175.478 176.870 -0.470 0.000 0.993 762 L CA -0.455 54.226 54.840 -0.265 0.000 0.819 762 L CB 1.284 43.279 42.059 -0.107 0.000 1.294 762 L HN 0.499 nan 8.230 nan 0.000 0.414 763 F N 2.936 122.890 119.950 0.008 0.000 2.426 763 F HA 0.756 5.281 4.527 -0.003 0.000 0.348 763 F C 0.074 175.872 175.800 -0.002 0.000 1.124 763 F CA -0.926 57.075 58.000 0.001 0.000 1.008 763 F CB 1.918 40.922 39.000 0.007 0.000 1.139 763 F HN 0.226 nan 8.300 nan 0.000 0.452 764 V N 1.641 121.621 119.914 0.111 0.000 2.971 764 V HA 0.575 4.693 4.120 -0.004 0.000 0.309 764 V C -0.969 175.135 176.094 0.017 0.000 1.130 764 V CA -0.489 61.843 62.300 0.053 0.000 0.964 764 V CB 2.322 34.154 31.823 0.015 0.000 1.029 764 V HN 0.616 nan 8.190 nan 0.000 0.427 765 S N 3.692 119.382 115.700 -0.017 0.000 3.363 765 S HA 0.580 5.048 4.470 -0.004 0.000 0.267 765 S C -0.232 174.277 174.600 -0.152 0.000 1.288 765 S CA 0.303 58.450 58.200 -0.089 0.000 0.948 765 S CB -0.750 62.371 63.200 -0.132 0.000 1.397 765 S HN 1.218 nan 8.310 nan 0.000 0.493 766 T N 2.735 117.221 114.554 -0.112 0.000 2.894 766 T HA 0.355 4.703 4.350 -0.004 0.000 0.309 766 T C 0.193 174.837 174.700 -0.092 0.000 1.208 766 T CA -0.505 61.530 62.100 -0.108 0.000 1.016 766 T CB 1.684 70.515 68.868 -0.061 0.000 1.192 766 T HN 0.473 nan 8.240 nan 0.000 0.491 767 Q N 1.648 121.400 119.800 -0.079 0.000 2.360 767 Q HA 0.269 4.607 4.340 -0.004 0.000 0.202 767 Q C 0.159 176.151 176.000 -0.013 0.000 0.915 767 Q CA 0.025 55.802 55.803 -0.043 0.000 0.943 767 Q CB 0.329 29.052 28.738 -0.025 0.000 1.064 767 Q HN 0.331 nan 8.270 nan 0.000 0.511 768 N N -0.186 118.493 118.700 -0.035 0.000 2.733 768 N HA 0.252 4.989 4.740 -0.004 0.000 0.271 768 N C -0.111 175.349 175.510 -0.084 0.000 1.720 768 N CA -0.014 53.009 53.050 -0.046 0.000 0.803 768 N CB 0.777 39.231 38.487 -0.056 0.000 1.208 768 N HN 0.103 nan 8.380 nan 0.000 0.498 769 A N 1.986 124.763 122.820 -0.072 0.000 1.986 769 A HA -0.204 4.113 4.320 -0.004 0.000 0.220 769 A C 2.122 179.644 177.584 -0.102 0.000 1.171 769 A CA 1.383 53.369 52.037 -0.085 0.000 0.640 769 A CB -0.327 18.627 19.000 -0.077 0.000 0.811 769 A HN 0.669 nan 8.150 nan 0.000 0.451 770 M N -1.226 118.315 119.600 -0.098 0.000 2.077 770 M HA -0.131 4.347 4.480 -0.004 0.000 0.261 770 M C 1.801 177.985 176.300 -0.193 0.000 1.070 770 M CA 1.862 57.095 55.300 -0.112 0.000 1.125 770 M CB -0.174 32.378 32.600 -0.080 0.000 1.339 770 M HN 0.127 nan 8.290 nan 0.000 0.409 771 K N 0.214 120.443 120.400 -0.285 0.000 2.147 771 K HA -0.062 4.255 4.320 -0.004 0.000 0.205 771 K C 1.893 178.155 176.600 -0.563 0.000 1.049 771 K CA 1.872 57.810 56.287 -0.582 0.000 0.936 771 K CB -1.017 31.035 32.500 -0.747 0.000 0.722 771 K HN 0.476 nan 8.250 nan 0.000 0.446 772 T N 1.653 116.025 114.554 -0.302 0.000 2.652 772 T HA -0.231 4.117 4.350 -0.004 0.000 0.267 772 T C 1.928 176.557 174.700 -0.117 0.000 1.039 772 T CA 1.678 63.674 62.100 -0.173 0.000 1.153 772 T CB -0.202 68.605 68.868 -0.102 0.000 0.863 772 T HN 0.371 nan 8.240 nan 0.000 0.428 773 Q N 0.774 120.505 119.800 -0.115 0.000 2.077 773 Q HA -0.175 4.163 4.340 -0.004 0.000 0.206 773 Q C 2.396 178.366 176.000 -0.050 0.000 0.989 773 Q CA 2.059 57.815 55.803 -0.078 0.000 0.853 773 Q CB -0.197 28.493 28.738 -0.081 0.000 0.907 773 Q HN 0.577 nan 8.270 nan 0.000 0.418 774 S N 0.135 115.791 115.700 -0.073 0.000 2.368 774 S HA -0.089 4.379 4.470 -0.004 0.000 0.224 774 S C 1.636 176.334 174.600 0.164 0.000 1.029 774 S CA 0.980 59.186 58.200 0.010 0.000 0.988 774 S CB -0.341 62.855 63.200 -0.007 0.000 0.838 774 S HN 0.323 nan 8.310 nan 0.000 0.462 775 F N 1.651 121.566 119.950 -0.058 0.000 2.206 775 F HA 0.080 4.604 4.527 -0.005 0.000 0.298 775 F C 2.508 178.262 175.800 -0.078 0.000 1.090 775 F CA -0.636 57.324 58.000 -0.066 0.000 1.323 775 F CB -1.385 37.579 39.000 -0.061 0.000 1.028 775 F HN 0.013 nan 8.300 nan 0.000 0.492 776 V N 0.254 120.241 119.914 0.120 0.000 2.295 776 V HA -0.304 3.814 4.120 -0.004 0.000 0.246 776 V C 2.673 178.760 176.094 -0.011 0.000 1.049 776 V CA 1.867 64.181 62.300 0.024 0.000 1.024 776 V CB -1.374 30.449 31.823 -0.000 0.000 0.648 776 V HN 0.309 nan 8.190 nan 0.000 0.447 777 A N -0.589 122.231 122.820 -0.001 0.000 1.933 777 A HA -0.259 4.059 4.320 -0.004 0.000 0.218 777 A C 2.356 179.921 177.584 -0.032 0.000 1.175 777 A CA 2.149 54.173 52.037 -0.021 0.000 0.628 777 A CB -0.466 18.526 19.000 -0.014 0.000 0.814 777 A HN 0.518 nan 8.150 nan 0.000 0.444 778 K N -0.635 119.759 120.400 -0.010 0.000 2.097 778 K HA -0.167 4.151 4.320 -0.004 0.000 0.205 778 K C 2.117 178.673 176.600 -0.074 0.000 1.050 778 K CA 1.746 58.014 56.287 -0.032 0.000 0.938 778 K CB -0.232 32.261 32.500 -0.011 0.000 0.718 778 K HN 0.566 nan 8.250 nan 0.000 0.442 779 M N 0.126 119.675 119.600 -0.085 0.000 2.132 779 M HA -0.075 4.402 4.480 -0.004 0.000 0.263 779 M C 1.484 177.684 176.300 -0.167 0.000 1.065 779 M CA 1.701 56.922 55.300 -0.131 0.000 1.122 779 M CB -0.446 32.066 32.600 -0.146 0.000 1.365 779 M HN 0.050 nan 8.290 nan 0.000 0.411 780 L N 0.330 121.452 121.223 -0.169 0.000 2.291 780 L HA 0.218 4.556 4.340 -0.004 0.000 0.214 780 L C 1.409 178.161 176.870 -0.195 0.000 1.120 780 L CA 0.671 55.361 54.840 -0.249 0.000 0.799 780 L CB -0.889 41.047 42.059 -0.206 0.000 0.925 780 L HN 0.792 nan 8.230 nan 0.000 0.446 781 G N 0.482 109.211 108.800 -0.120 0.000 2.204 781 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.244 781 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.244 781 G C -0.228 174.637 174.900 -0.059 0.000 1.062 781 G CA 0.096 45.146 45.100 -0.082 0.000 0.798 781 G HN 0.115 nan 8.290 nan 0.000 0.496 782 V N -0.627 119.255 119.914 -0.052 0.000 3.040 782 V HA 0.679 4.796 4.120 -0.004 0.000 0.312 782 V C -2.008 174.070 176.094 -0.027 0.000 1.115 782 V CA -1.971 60.309 62.300 -0.033 0.000 0.998 782 V CB 2.244 34.052 31.823 -0.026 0.000 1.042 782 V HN 0.107 nan 8.190 nan 0.000 0.433 783 P HA 0.129 nan 4.420 nan 0.000 0.269 783 P C 0.934 178.221 177.300 -0.023 0.000 1.209 783 P CA 0.014 63.101 63.100 -0.021 0.000 0.776 783 P CB 0.585 32.274 31.700 -0.019 0.000 0.876 784 V N 2.012 121.912 119.914 -0.024 0.000 2.392 784 V HA -0.296 3.822 4.120 -0.004 0.000 0.249 784 V C 2.031 178.107 176.094 -0.030 0.000 1.059 784 V CA 2.408 64.692 62.300 -0.027 0.000 1.051 784 V CB -1.476 30.329 31.823 -0.030 0.000 0.658 784 V HN 0.701 nan 8.190 nan 0.000 0.455 785 N N 0.846 119.529 118.700 -0.027 0.000 2.503 785 N HA -0.230 4.507 4.740 -0.004 0.000 0.189 785 N C 1.535 177.030 175.510 -0.025 0.000 1.048 785 N CA 1.168 54.203 53.050 -0.026 0.000 0.905 785 N CB -0.480 37.994 38.487 -0.023 0.000 0.951 785 N HN 0.309 nan 8.380 nan 0.000 0.446 786 R N -0.215 120.271 120.500 -0.024 0.000 2.240 786 R HA 0.207 4.545 4.340 -0.004 0.000 0.203 786 R C -0.026 176.257 176.300 -0.029 0.000 1.011 786 R CA 0.102 56.189 56.100 -0.021 0.000 1.007 786 R CB 0.001 30.292 30.300 -0.015 0.000 0.911 786 R HN 0.293 nan 8.270 nan 0.000 0.468 787 I N 1.855 122.403 120.570 -0.037 0.000 2.355 787 I HA 0.233 4.401 4.170 -0.004 0.000 0.288 787 I C -0.551 175.526 176.117 -0.066 0.000 0.999 787 I CA -1.652 59.620 61.300 -0.048 0.000 1.163 787 I CB 1.355 39.329 38.000 -0.043 0.000 1.316 787 I HN -0.161 nan 8.210 nan 0.000 0.454 788 L N 8.719 129.889 121.223 -0.089 0.000 2.333 788 L HA 0.646 4.983 4.340 -0.004 0.000 0.280 788 L C -0.875 175.892 176.870 -0.170 0.000 1.004 788 L CA -0.414 54.357 54.840 -0.115 0.000 0.820 788 L CB 1.753 43.743 42.059 -0.114 0.000 1.247 788 L HN 0.261 nan 8.230 nan 0.000 0.416 789 V N 5.943 125.762 119.914 -0.158 0.000 2.487 789 V HA 0.636 4.754 4.120 -0.004 0.000 0.298 789 V C -0.215 175.774 176.094 -0.174 0.000 1.028 789 V CA -0.625 61.569 62.300 -0.176 0.000 0.860 789 V CB 1.724 33.476 31.823 -0.119 0.000 0.991 789 V HN 0.729 nan 8.190 nan 0.000 0.427 790 R N 3.242 123.609 120.500 -0.222 0.000 2.561 790 R HA 0.796 5.133 4.340 -0.004 0.000 0.297 790 R C -1.601 174.678 176.300 -0.035 0.000 0.969 790 R CA -0.699 55.317 56.100 -0.141 0.000 0.879 790 R CB 2.547 32.730 30.300 -0.195 0.000 1.178 790 R HN 0.492 nan 8.270 nan 0.000 0.445 791 V N 3.579 123.485 119.914 -0.014 0.000 2.409 791 V HA 0.150 4.268 4.120 -0.004 0.000 0.290 791 V C 0.576 176.680 176.094 0.017 0.000 1.017 791 V CA -0.699 61.604 62.300 0.006 0.000 0.841 791 V CB 1.441 33.245 31.823 -0.032 0.000 1.003 791 V HN 0.714 nan 8.190 nan 0.000 0.426 792 K N 4.839 125.261 120.400 0.038 0.000 2.005 792 K HA 0.149 4.467 4.320 -0.004 0.000 0.206 792 K C 0.760 177.353 176.600 -0.013 0.000 1.044 792 K CA 1.343 57.636 56.287 0.011 0.000 0.942 792 K CB 0.259 32.755 32.500 -0.007 0.000 0.727 792 K HN 0.804 nan 8.250 nan 0.000 0.439 793 R N -1.430 119.039 120.500 -0.051 0.000 2.690 793 R HA 0.394 4.731 4.340 -0.004 0.000 0.269 793 R C -1.288 175.003 176.300 -0.015 0.000 1.037 793 R CA -0.845 55.215 56.100 -0.067 0.000 0.877 793 R CB 0.757 30.969 30.300 -0.145 0.000 1.255 793 R HN -0.040 nan 8.270 nan 0.000 0.467 794 M N 0.683 120.281 119.600 -0.002 0.000 2.508 794 M HA 0.402 4.880 4.480 -0.004 0.000 0.327 794 M C 0.626 177.008 176.300 0.136 0.000 1.160 794 M CA -0.689 54.626 55.300 0.024 0.000 0.980 794 M CB 2.277 34.807 32.600 -0.117 0.000 1.693 794 M HN 0.916 nan 8.290 nan 0.000 0.452 795 G N 1.457 110.347 108.800 0.151 0.000 3.458 795 G HA2 0.499 4.457 3.960 -0.004 0.000 0.256 795 G HA3 0.499 4.457 3.960 -0.004 0.000 0.256 795 G C 0.306 175.216 174.900 0.018 0.000 0.938 795 G CA 0.180 45.309 45.100 0.048 0.000 1.890 795 G HN 1.098 nan 8.290 nan 0.000 0.639 796 G N -1.148 107.612 108.800 -0.067 0.000 2.788 796 G HA2 0.355 4.312 3.960 -0.004 0.000 0.686 796 G HA3 0.355 4.312 3.960 -0.004 0.000 0.686 796 G C 0.520 175.229 174.900 -0.318 0.000 1.147 796 G CA -0.345 44.609 45.100 -0.243 0.000 0.755 796 G HN 1.164 nan 8.290 nan 0.000 0.634 797 G N -0.297 108.126 108.800 -0.630 0.000 2.619 797 G HA2 0.544 4.502 3.960 -0.004 0.000 0.201 797 G HA3 0.544 4.502 3.960 -0.004 0.000 0.201 797 G C 0.896 175.734 174.900 -0.104 0.000 1.188 797 G CA 0.822 45.722 45.100 -0.333 0.000 0.663 797 G HN 1.720 nan 8.290 nan 0.000 0.757 798 F N 1.085 121.075 119.950 0.065 0.000 3.105 798 F HA -0.188 4.337 4.527 -0.004 0.000 0.280 798 F C 1.930 177.782 175.800 0.087 0.000 0.894 798 F CA 0.949 58.994 58.000 0.076 0.000 0.992 798 F CB -1.557 37.470 39.000 0.045 0.000 1.047 798 F HN 1.085 nan 8.300 nan 0.000 0.607 799 G N -1.303 107.584 108.800 0.145 0.000 2.254 799 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.225 799 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.225 799 G C 1.116 176.049 174.900 0.054 0.000 1.003 799 G CA 0.013 45.223 45.100 0.184 0.000 0.622 799 G HN 1.207 nan 8.290 nan 0.000 0.507 800 G N 0.058 108.684 108.800 -0.291 0.000 2.650 800 G HA2 0.269 4.226 3.960 -0.004 0.000 0.214 800 G HA3 0.269 4.226 3.960 -0.004 0.000 0.214 800 G C 1.122 175.946 174.900 -0.127 0.000 1.136 800 G CA 1.234 45.963 45.100 -0.618 0.000 0.789 800 G HN 0.528 nan 8.290 nan 0.000 0.536 801 K N -0.032 120.276 120.400 -0.155 0.000 2.478 801 K HA 0.199 4.516 4.320 -0.004 0.000 0.205 801 K C 1.353 177.937 176.600 -0.028 0.000 1.033 801 K CA -0.098 56.109 56.287 -0.133 0.000 1.091 801 K CB 0.805 33.089 32.500 -0.361 0.000 0.844 801 K HN 0.342 nan 8.250 nan 0.000 0.507 802 E N 1.032 121.254 120.200 0.036 0.000 2.112 802 E HA -0.134 4.214 4.350 -0.004 0.000 0.190 802 E C 1.371 178.017 176.600 0.077 0.000 0.979 802 E CA 1.816 58.261 56.400 0.074 0.000 0.814 802 E CB 0.410 30.193 29.700 0.139 0.000 0.762 802 E HN 0.277 nan 8.360 nan 0.000 0.460 803 T N -3.092 111.530 114.554 0.113 0.000 3.098 803 T HA 0.210 4.558 4.350 -0.004 0.000 0.256 803 T C 1.637 176.421 174.700 0.140 0.000 0.921 803 T CA -0.581 61.589 62.100 0.116 0.000 0.916 803 T CB -0.037 68.933 68.868 0.170 0.000 1.246 803 T HN -0.086 nan 8.240 nan 0.000 0.511 804 R N 2.574 123.166 120.500 0.153 0.000 2.236 804 R HA 0.183 4.520 4.340 -0.004 0.000 0.208 804 R C 2.707 179.040 176.300 0.054 0.000 1.036 804 R CA 1.197 57.362 56.100 0.110 0.000 1.001 804 R CB -1.120 29.235 30.300 0.091 0.000 0.896 804 R HN 0.725 nan 8.270 nan 0.000 0.464 805 S N 0.588 116.409 115.700 0.203 0.000 2.419 805 S HA -0.175 4.293 4.470 -0.004 0.000 0.235 805 S C 1.955 176.626 174.600 0.118 0.000 1.019 805 S CA 1.732 60.096 58.200 0.275 0.000 0.982 805 S CB -0.724 62.595 63.200 0.198 0.000 0.789 805 S HN 0.478 nan 8.310 nan 0.000 0.490 806 T N 0.684 115.299 114.554 0.101 0.000 2.962 806 T HA 0.128 4.476 4.350 -0.004 0.000 0.270 806 T C 1.720 176.470 174.700 0.083 0.000 1.088 806 T CA 0.854 63.026 62.100 0.119 0.000 1.127 806 T CB -0.830 68.198 68.868 0.266 0.000 0.883 806 T HN 0.426 nan 8.240 nan 0.000 0.493 807 L N 0.447 121.697 121.223 0.044 0.000 2.079 807 L HA -0.068 4.270 4.340 -0.004 0.000 0.210 807 L C 2.811 179.683 176.870 0.003 0.000 1.081 807 L CA 0.987 55.831 54.840 0.007 0.000 0.752 807 L CB -0.571 41.481 42.059 -0.013 0.000 0.896 807 L HN 0.224 nan 8.230 nan 0.000 0.433 808 V N -1.851 118.068 119.914 0.009 0.000 2.500 808 V HA -0.126 3.991 4.120 -0.004 0.000 0.243 808 V C 2.456 178.575 176.094 0.042 0.000 1.039 808 V CA 1.416 63.737 62.300 0.036 0.000 1.053 808 V CB 0.362 32.216 31.823 0.052 0.000 0.695 808 V HN 0.293 nan 8.190 nan 0.000 0.463 809 S N 0.307 116.033 115.700 0.043 0.000 2.370 809 S HA -0.174 4.293 4.470 -0.004 0.000 0.226 809 S C 1.994 176.604 174.600 0.016 0.000 1.033 809 S CA 1.644 59.865 58.200 0.036 0.000 1.011 809 S CB -0.179 63.041 63.200 0.034 0.000 0.852 809 S HN 0.368 nan 8.310 nan 0.000 0.457 810 V N 1.685 121.598 119.914 -0.001 0.000 2.453 810 V HA -0.104 4.014 4.120 -0.004 0.000 0.247 810 V C 2.557 178.592 176.094 -0.099 0.000 1.048 810 V CA 1.481 63.751 62.300 -0.050 0.000 1.049 810 V CB -1.122 30.658 31.823 -0.072 0.000 0.672 810 V HN 0.520 nan 8.190 nan 0.000 0.457 811 A N -0.025 122.744 122.820 -0.085 0.000 1.873 811 A HA -0.137 4.180 4.320 -0.004 0.000 0.215 811 A C 2.366 179.982 177.584 0.053 0.000 1.186 811 A CA 2.005 54.021 52.037 -0.035 0.000 0.616 811 A CB -0.628 18.417 19.000 0.075 0.000 0.823 811 A HN 0.330 nan 8.150 nan 0.000 0.442 812 V N -0.100 119.843 119.914 0.048 0.000 2.427 812 V HA -0.204 3.914 4.120 -0.004 0.000 0.248 812 V C 3.031 179.153 176.094 0.046 0.000 1.051 812 V CA 1.744 64.076 62.300 0.053 0.000 1.048 812 V CB -1.248 30.606 31.823 0.051 0.000 0.666 812 V HN 0.606 nan 8.190 nan 0.000 0.456 813 A N 0.139 122.977 122.820 0.030 0.000 1.908 813 A HA -0.224 4.093 4.320 -0.004 0.000 0.218 813 A C 2.179 179.801 177.584 0.063 0.000 1.181 813 A CA 2.146 54.203 52.037 0.033 0.000 0.627 813 A CB -0.641 18.362 19.000 0.005 0.000 0.818 813 A HN 0.449 nan 8.150 nan 0.000 0.445 814 L N -0.148 121.100 121.223 0.041 0.000 2.043 814 L HA -0.153 4.184 4.340 -0.004 0.000 0.212 814 L C 2.636 179.601 176.870 0.158 0.000 1.075 814 L CA 2.407 57.302 54.840 0.091 0.000 0.752 814 L CB -0.809 41.287 42.059 0.061 0.000 0.891 814 L HN 0.354 nan 8.230 nan 0.000 0.432 815 A N -0.919 121.963 122.820 0.105 0.000 1.930 815 A HA 0.019 4.337 4.320 -0.004 0.000 0.217 815 A C 2.418 180.035 177.584 0.055 0.000 1.175 815 A CA 1.542 53.618 52.037 0.065 0.000 0.627 815 A CB -1.003 18.020 19.000 0.038 0.000 0.815 815 A HN 0.578 nan 8.150 nan 0.000 0.443 816 A N -1.000 121.862 122.820 0.071 0.000 1.855 816 A HA -0.084 4.233 4.320 -0.004 0.000 0.215 816 A C 2.093 179.722 177.584 0.075 0.000 1.191 816 A CA 1.624 53.699 52.037 0.063 0.000 0.613 816 A CB -1.046 17.989 19.000 0.058 0.000 0.829 816 A HN 0.749 nan 8.150 nan 0.000 0.442 817 Y N 0.739 121.039 120.300 0.000 0.000 2.030 817 Y HA -0.321 4.226 4.550 -0.005 0.000 0.272 817 Y C 2.402 178.304 175.900 0.004 0.000 1.185 817 Y CA 2.764 60.864 58.100 -0.001 0.000 1.120 817 Y CB -0.183 38.275 38.460 -0.005 0.000 0.955 817 Y HN 0.221 nan 8.280 nan 0.000 0.495 818 K N -0.464 119.907 120.400 -0.048 0.000 2.097 818 K HA -0.143 4.175 4.320 -0.004 0.000 0.206 818 K C 1.977 178.486 176.600 -0.151 0.000 1.049 818 K CA 2.023 58.227 56.287 -0.139 0.000 0.933 818 K CB -0.489 32.041 32.500 0.049 0.000 0.717 818 K HN 0.647 nan 8.250 nan 0.000 0.442 819 T N -4.009 110.497 114.554 -0.080 0.000 3.051 819 T HA 0.146 4.493 4.350 -0.004 0.000 0.255 819 T C 1.414 176.163 174.700 0.081 0.000 1.085 819 T CA 0.875 62.949 62.100 -0.044 0.000 1.109 819 T CB 0.154 68.945 68.868 -0.128 0.000 0.921 819 T HN 0.316 nan 8.240 nan 0.000 0.488 820 G N 1.266 110.074 108.800 0.014 0.000 2.168 820 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.263 820 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.263 820 G C -0.118 174.811 174.900 0.048 0.000 0.977 820 G CA 0.533 45.638 45.100 0.009 0.000 0.659 820 G HN 0.766 nan 8.290 nan 0.000 0.533 821 H N 0.610 119.634 119.070 -0.078 0.000 2.525 821 H HA 0.552 5.105 4.556 -0.004 0.000 0.340 821 H C -2.236 173.046 175.328 -0.077 0.000 1.168 821 H CA -2.029 53.971 56.048 -0.079 0.000 1.247 821 H CB 0.979 30.707 29.762 -0.056 0.000 1.568 821 H HN 0.036 nan 8.280 nan 0.000 0.536 822 P HA 0.023 nan 4.420 nan 0.000 0.265 822 P C -0.825 176.482 177.300 0.012 0.000 1.193 822 P CA 0.225 63.336 63.100 0.018 0.000 0.765 822 P CB 0.545 32.269 31.700 0.039 0.000 0.823 823 V N 4.227 124.136 119.914 -0.007 0.000 2.841 823 V HA 0.597 4.714 4.120 -0.004 0.000 0.310 823 V C 0.161 176.209 176.094 -0.077 0.000 1.090 823 V CA -0.684 61.574 62.300 -0.071 0.000 0.930 823 V CB 2.253 34.062 31.823 -0.023 0.000 1.014 823 V HN 0.587 nan 8.190 nan 0.000 0.425 824 R N 2.038 122.431 120.500 -0.178 0.000 2.854 824 R HA 0.924 5.261 4.340 -0.004 0.000 0.271 824 R C -1.386 174.923 176.300 0.016 0.000 0.994 824 R CA -0.630 55.422 56.100 -0.080 0.000 0.945 824 R CB 1.868 32.105 30.300 -0.105 0.000 1.194 824 R HN 0.667 nan 8.270 nan 0.000 0.476 825 C N 2.873 122.223 119.300 0.082 0.000 2.551 825 C HA 0.583 5.040 4.460 -0.004 0.000 0.332 825 C C -0.843 174.223 174.990 0.126 0.000 1.139 825 C CA -0.643 58.455 59.018 0.133 0.000 1.328 825 C CB 1.326 29.136 27.740 0.117 0.000 1.903 825 C HN 0.998 nan 8.230 nan 0.000 0.459 826 M N 6.907 126.592 119.600 0.142 0.000 2.227 826 M HA 0.559 5.036 4.480 -0.004 0.000 0.335 826 M C -1.106 175.259 176.300 0.109 0.000 1.053 826 M CA -0.481 54.887 55.300 0.114 0.000 0.973 826 M CB 0.962 33.625 32.600 0.105 0.000 1.623 826 M HN 0.684 nan 8.290 nan 0.000 0.434 827 L N 4.074 125.361 121.223 0.106 0.000 2.456 827 L HA 0.155 4.492 4.340 -0.004 0.000 0.272 827 L C 0.398 177.315 176.870 0.078 0.000 1.189 827 L CA -0.291 54.608 54.840 0.098 0.000 0.846 827 L CB 0.100 42.224 42.059 0.108 0.000 1.111 827 L HN 0.659 nan 8.230 nan 0.000 0.475 828 D N 1.234 121.674 120.400 0.067 0.000 2.361 828 D HA -0.009 4.628 4.640 -0.004 0.000 0.239 828 D C 1.000 177.320 176.300 0.034 0.000 1.200 828 D CA -0.118 53.911 54.000 0.047 0.000 0.915 828 D CB 0.950 41.778 40.800 0.047 0.000 1.170 828 D HN 0.373 nan 8.370 nan 0.000 0.444 829 R N 1.415 121.917 120.500 0.004 0.000 2.091 829 R HA -0.175 4.162 4.340 -0.004 0.000 0.238 829 R C 1.792 178.079 176.300 -0.021 0.000 1.136 829 R CA 1.669 57.737 56.100 -0.054 0.000 0.959 829 R CB -0.189 30.061 30.300 -0.084 0.000 0.856 829 R HN 0.523 nan 8.270 nan 0.000 0.437 830 N N 0.477 119.187 118.700 0.017 0.000 2.166 830 N HA -0.202 4.536 4.740 -0.004 0.000 0.186 830 N C 1.103 176.637 175.510 0.040 0.000 1.019 830 N CA 1.835 54.904 53.050 0.032 0.000 0.856 830 N CB -0.326 38.189 38.487 0.047 0.000 0.993 830 N HN 0.465 nan 8.380 nan 0.000 0.426 831 E N 0.408 120.638 120.200 0.051 0.000 2.028 831 E HA -0.153 4.195 4.350 -0.004 0.000 0.191 831 E C 1.477 178.114 176.600 0.061 0.000 0.988 831 E CA 0.917 57.356 56.400 0.065 0.000 0.799 831 E CB -0.172 29.574 29.700 0.076 0.000 0.755 831 E HN 0.400 nan 8.360 nan 0.000 0.447 832 D N 0.811 121.251 120.400 0.067 0.000 2.116 832 D HA -0.198 4.440 4.640 -0.004 0.000 0.193 832 D C 2.015 178.360 176.300 0.075 0.000 0.998 832 D CA 1.308 55.370 54.000 0.102 0.000 0.836 832 D CB 0.023 40.922 40.800 0.164 0.000 0.951 832 D HN 0.146 nan 8.370 nan 0.000 0.449 833 M N -0.218 119.391 119.600 0.015 0.000 2.213 833 M HA -0.160 4.318 4.480 -0.004 0.000 0.263 833 M C 2.342 178.653 176.300 0.019 0.000 1.062 833 M CA 0.714 56.003 55.300 -0.018 0.000 1.105 833 M CB -0.082 32.474 32.600 -0.073 0.000 1.385 833 M HN 0.078 nan 8.290 nan 0.000 0.417 834 L N 0.213 121.459 121.223 0.038 0.000 2.127 834 L HA 0.005 4.343 4.340 -0.004 0.000 0.203 834 L C 1.920 178.837 176.870 0.079 0.000 1.080 834 L CA 1.597 56.472 54.840 0.060 0.000 0.768 834 L CB -0.103 41.994 42.059 0.062 0.000 0.924 834 L HN 0.169 nan 8.230 nan 0.000 0.444 835 I N -1.094 119.519 120.570 0.071 0.000 2.628 835 I HA -0.090 4.078 4.170 -0.004 0.000 0.255 835 I C 1.864 178.013 176.117 0.053 0.000 1.119 835 I CA 1.250 62.591 61.300 0.068 0.000 1.448 835 I CB -0.366 37.668 38.000 0.056 0.000 1.133 835 I HN 0.378 nan 8.210 nan 0.000 0.438 836 T N -1.455 113.128 114.554 0.048 0.000 3.086 836 T HA 0.419 4.767 4.350 -0.004 0.000 0.250 836 T C 0.955 175.727 174.700 0.119 0.000 1.074 836 T CA 0.244 62.359 62.100 0.025 0.000 0.988 836 T CB -0.041 68.775 68.868 -0.087 0.000 0.988 836 T HN 0.497 nan 8.240 nan 0.000 0.530 837 G N -0.611 108.270 108.800 0.135 0.000 2.814 837 G HA2 0.347 4.305 3.960 -0.004 0.000 0.677 837 G HA3 0.347 4.305 3.960 -0.004 0.000 0.677 837 G C -0.078 174.971 174.900 0.248 0.000 1.429 837 G CA -0.563 44.629 45.100 0.152 0.000 0.868 837 G HN 1.126 nan 8.290 nan 0.000 0.553 838 G N -0.813 108.106 108.800 0.199 0.000 3.058 838 G HA2 0.790 4.748 3.960 -0.004 0.000 0.282 838 G HA3 0.790 4.748 3.960 -0.004 0.000 0.282 838 G C 0.064 175.092 174.900 0.213 0.000 1.248 838 G CA 0.066 45.287 45.100 0.201 0.000 0.822 838 G HN 0.998 nan 8.290 nan 0.000 0.579 839 R N 0.112 120.767 120.500 0.258 0.000 2.679 839 R HA 0.092 4.430 4.340 -0.004 0.000 0.268 839 R C -0.353 176.016 176.300 0.115 0.000 1.044 839 R CA -0.229 55.998 56.100 0.211 0.000 1.105 839 R CB 0.006 30.274 30.300 -0.053 0.000 0.989 839 R HN 0.568 nan 8.270 nan 0.000 0.447 840 H N 4.936 124.104 119.070 0.163 0.000 2.955 840 H HA 0.094 4.648 4.556 -0.004 0.000 0.290 840 H C -1.936 173.511 175.328 0.199 0.000 1.047 840 H CA -1.470 54.686 56.048 0.180 0.000 1.484 840 H CB 0.772 30.672 29.762 0.229 0.000 1.501 840 H HN 0.436 nan 8.280 nan 0.000 0.521 841 P HA 0.006 nan 4.420 nan 0.000 0.268 841 P C -0.667 176.734 177.300 0.168 0.000 1.204 841 P CA 0.580 63.733 63.100 0.087 0.000 0.768 841 P CB 0.237 32.009 31.700 0.120 0.000 0.842 842 F N 2.715 122.606 119.950 -0.097 0.000 2.507 842 F HA 0.460 4.985 4.527 -0.004 0.000 0.325 842 F C 0.056 175.912 175.800 0.093 0.000 1.116 842 F CA -0.994 57.045 58.000 0.066 0.000 0.930 842 F CB 1.503 40.567 39.000 0.106 0.000 1.146 842 F HN 0.111 nan 8.300 nan 0.000 0.447 843 L N 4.003 125.459 121.223 0.388 0.000 2.317 843 L HA 0.900 5.238 4.340 -0.004 0.000 0.281 843 L C -0.971 176.184 176.870 0.476 0.000 1.024 843 L CA -0.202 54.912 54.840 0.456 0.000 0.810 843 L CB 1.443 43.746 42.059 0.406 0.000 1.240 843 L HN 0.628 nan 8.230 nan 0.000 0.427 844 A N 5.037 128.107 122.820 0.416 0.000 2.374 844 A HA 0.817 5.135 4.320 -0.004 0.000 0.305 844 A C -0.859 176.935 177.584 0.350 0.000 1.053 844 A CA -0.727 51.517 52.037 0.346 0.000 0.726 844 A CB 1.076 20.231 19.000 0.257 0.000 1.229 844 A HN 0.757 nan 8.150 nan 0.000 0.431 845 R N 1.394 122.069 120.500 0.290 0.000 2.310 845 R HA 0.571 4.908 4.340 -0.004 0.000 0.324 845 R C -1.226 175.179 176.300 0.174 0.000 0.955 845 R CA -0.308 55.899 56.100 0.177 0.000 0.830 845 R CB 1.214 31.607 30.300 0.155 0.000 1.154 845 R HN 0.803 nan 8.270 nan 0.000 0.458 846 Y N -0.712 119.627 120.300 0.066 0.000 2.633 846 Y HA 0.683 5.231 4.550 -0.004 0.000 0.339 846 Y C -0.814 175.097 175.900 0.019 0.000 1.045 846 Y CA -1.416 56.706 58.100 0.037 0.000 1.098 846 Y CB 1.884 40.389 38.460 0.075 0.000 1.296 846 Y HN 0.266 nan 8.280 nan 0.000 0.494 847 K N 2.061 122.559 120.400 0.165 0.000 2.690 847 K HA 0.498 4.816 4.320 -0.004 0.000 0.264 847 K C -2.379 174.350 176.600 0.216 0.000 1.040 847 K CA -0.515 55.825 56.287 0.089 0.000 0.946 847 K CB 1.688 34.147 32.500 -0.068 0.000 1.268 847 K HN 0.738 nan 8.250 nan 0.000 0.473 848 V N 1.677 121.699 119.914 0.180 0.000 2.427 848 V HA 0.640 4.757 4.120 -0.004 0.000 0.286 848 V C 0.645 176.962 176.094 0.372 0.000 1.034 848 V CA -0.831 61.501 62.300 0.053 0.000 0.893 848 V CB 1.437 33.105 31.823 -0.257 0.000 0.982 848 V HN 0.773 nan 8.190 nan 0.000 0.452 849 G N 4.149 113.117 108.800 0.280 0.000 2.335 849 G HA2 0.758 4.716 3.960 -0.004 0.000 0.316 849 G HA3 0.758 4.716 3.960 -0.004 0.000 0.316 849 G C -0.997 173.998 174.900 0.157 0.000 1.129 849 G CA -0.417 44.813 45.100 0.218 0.000 0.899 849 G HN 0.818 nan 8.290 nan 0.000 0.448 850 F N 0.629 120.557 119.950 -0.037 0.000 2.715 850 F HA 0.791 5.315 4.527 -0.004 0.000 0.318 850 F C -0.609 175.175 175.800 -0.027 0.000 1.141 850 F CA -1.825 56.142 58.000 -0.055 0.000 0.950 850 F CB 1.450 40.423 39.000 -0.046 0.000 1.374 850 F HN 0.212 nan 8.300 nan 0.000 0.477 851 M N 1.050 120.705 119.600 0.091 0.000 2.654 851 M HA 0.398 4.875 4.480 -0.004 0.000 0.310 851 M C 0.732 177.075 176.300 0.071 0.000 1.211 851 M CA -0.729 54.572 55.300 0.000 0.000 0.947 851 M CB 1.655 34.263 32.600 0.013 0.000 1.647 851 M HN 0.839 nan 8.290 nan 0.000 0.481 852 K N 0.008 120.420 120.400 0.021 0.000 2.281 852 K HA -0.095 4.222 4.320 -0.004 0.000 0.203 852 K C 1.610 178.267 176.600 0.095 0.000 1.046 852 K CA 1.229 57.550 56.287 0.057 0.000 0.938 852 K CB 0.002 32.516 32.500 0.023 0.000 0.737 852 K HN 0.648 nan 8.250 nan 0.000 0.458 853 T N -1.050 113.553 114.554 0.081 0.000 2.995 853 T HA -0.029 4.318 4.350 -0.004 0.000 0.269 853 T C 1.246 176.001 174.700 0.091 0.000 1.091 853 T CA 1.271 63.415 62.100 0.073 0.000 1.128 853 T CB 0.008 68.903 68.868 0.045 0.000 0.891 853 T HN 0.581 nan 8.240 nan 0.000 0.492 854 G N 0.465 109.355 108.800 0.151 0.000 2.213 854 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.226 854 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.226 854 G C 0.419 175.358 174.900 0.066 0.000 0.992 854 G CA 0.160 45.330 45.100 0.117 0.000 0.632 854 G HN 0.503 nan 8.290 nan 0.000 0.511 855 T N 3.472 118.062 114.554 0.060 0.000 2.867 855 T HA 0.409 4.757 4.350 -0.004 0.000 0.297 855 T C 1.025 175.747 174.700 0.037 0.000 0.989 855 T CA 0.136 62.243 62.100 0.011 0.000 1.159 855 T CB 0.493 69.357 68.868 -0.007 0.000 0.928 855 T HN 0.262 nan 8.240 nan 0.000 0.538 856 I N 4.510 125.066 120.570 -0.023 0.000 2.529 856 I HA 0.101 4.269 4.170 -0.004 0.000 0.284 856 I C 1.131 177.195 176.117 -0.088 0.000 1.082 856 I CA 0.151 61.420 61.300 -0.051 0.000 1.406 856 I CB 0.966 38.894 38.000 -0.120 0.000 1.405 856 I HN 0.454 nan 8.210 nan 0.000 0.548 857 V N 4.427 124.270 119.914 -0.118 0.000 3.251 857 V HA 0.393 4.511 4.120 -0.004 0.000 0.239 857 V C 0.411 176.338 176.094 -0.279 0.000 1.332 857 V CA 0.481 62.685 62.300 -0.161 0.000 1.224 857 V CB 1.087 32.834 31.823 -0.125 0.000 1.004 857 V HN 0.862 nan 8.190 nan 0.000 0.464 858 A N 0.597 123.178 122.820 -0.399 0.000 2.520 858 A HA 0.839 5.157 4.320 -0.004 0.000 0.298 858 A C -2.027 175.211 177.584 -0.577 0.000 1.051 858 A CA -0.331 51.296 52.037 -0.685 0.000 0.690 858 A CB 2.243 20.370 19.000 -1.455 0.000 1.281 858 A HN 0.257 nan 8.150 nan 0.000 0.402 859 L N 0.821 121.792 121.223 -0.421 0.000 2.516 859 L HA 0.678 5.015 4.340 -0.004 0.000 0.267 859 L C -0.847 175.991 176.870 -0.052 0.000 0.957 859 L CA 0.077 54.763 54.840 -0.258 0.000 0.860 859 L CB 1.933 43.755 42.059 -0.396 0.000 1.265 859 L HN 0.820 nan 8.230 nan 0.000 0.403 860 E N 3.977 124.247 120.200 0.116 0.000 2.191 860 E HA 0.725 5.073 4.350 -0.004 0.000 0.263 860 E C -1.872 174.795 176.600 0.112 0.000 0.881 860 E CA -0.696 55.790 56.400 0.143 0.000 0.757 860 E CB 1.854 31.691 29.700 0.229 0.000 1.147 860 E HN 0.506 nan 8.360 nan 0.000 0.414 861 V N 4.581 124.553 119.914 0.097 0.000 2.525 861 V HA 0.276 4.394 4.120 -0.004 0.000 0.299 861 V C -0.975 175.112 176.094 -0.011 0.000 1.034 861 V CA -1.032 61.293 62.300 0.042 0.000 0.863 861 V CB 1.854 33.661 31.823 -0.026 0.000 0.999 861 V HN 0.697 nan 8.190 nan 0.000 0.423 862 D N 3.230 123.621 120.400 -0.015 0.000 2.280 862 D HA 0.439 5.077 4.640 -0.004 0.000 0.236 862 D C -0.514 175.712 176.300 -0.122 0.000 1.082 862 D CA -0.277 53.688 54.000 -0.059 0.000 0.834 862 D CB 1.407 42.194 40.800 -0.021 0.000 1.100 862 D HN 0.588 nan 8.370 nan 0.000 0.486 863 H N 1.017 120.015 119.070 -0.119 0.000 2.479 863 H HA 0.420 4.974 4.556 -0.004 0.000 0.335 863 H C -0.770 174.367 175.328 -0.318 0.000 1.142 863 H CA -0.305 55.757 56.048 0.024 0.000 1.234 863 H CB 0.860 30.743 29.762 0.202 0.000 1.503 863 H HN 0.309 nan 8.280 nan 0.000 0.510 864 Y N 0.093 120.458 120.300 0.108 0.000 2.406 864 Y HA 0.376 4.924 4.550 -0.004 0.000 0.340 864 Y C -0.280 175.443 175.900 -0.294 0.000 0.975 864 Y CA -0.961 57.121 58.100 -0.030 0.000 1.056 864 Y CB 1.992 40.505 38.460 0.089 0.000 1.210 864 Y HN 0.680 nan 8.280 nan 0.000 0.448 865 S N 1.794 117.325 115.700 -0.281 0.000 2.501 865 S HA 0.402 4.870 4.470 -0.004 0.000 0.301 865 S C -0.705 173.879 174.600 -0.025 0.000 1.096 865 S CA -0.965 56.955 58.200 -0.466 0.000 1.063 865 S CB 1.484 64.229 63.200 -0.758 0.000 1.042 865 S HN 0.635 nan 8.310 nan 0.000 0.494 866 N N 1.687 120.422 118.700 0.059 0.000 2.415 866 N HA 0.314 5.052 4.740 -0.004 0.000 0.250 866 N C 0.839 176.438 175.510 0.147 0.000 1.127 866 N CA -0.072 53.034 53.050 0.095 0.000 0.945 866 N CB 1.072 39.601 38.487 0.069 0.000 1.196 866 N HN 0.803 nan 8.380 nan 0.000 0.499 867 A N 2.578 125.523 122.820 0.209 0.000 2.072 867 A HA 0.359 4.676 4.320 -0.004 0.000 0.216 867 A C 1.174 178.871 177.584 0.188 0.000 1.156 867 A CA 1.023 53.246 52.037 0.310 0.000 0.701 867 A CB -0.614 18.674 19.000 0.480 0.000 0.816 867 A HN 0.869 nan 8.150 nan 0.000 0.458 868 G N 0.317 109.194 108.800 0.130 0.000 2.615 868 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.218 868 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.218 868 G C 0.069 175.058 174.900 0.147 0.000 1.339 868 G CA 0.178 45.316 45.100 0.062 0.000 0.884 868 G HN 1.051 nan 8.290 nan 0.000 0.559 869 N N 0.145 118.879 118.700 0.056 0.000 2.313 869 N HA 0.328 5.066 4.740 -0.004 0.000 0.207 869 N C 0.532 176.083 175.510 0.067 0.000 1.141 869 N CA 1.117 54.194 53.050 0.045 0.000 0.830 869 N CB 0.085 38.496 38.487 -0.126 0.000 1.008 869 N HN 1.729 nan 8.380 nan 0.000 0.481 870 S N -1.510 114.212 115.700 0.037 0.000 2.596 870 S HA 0.484 4.951 4.470 -0.004 0.000 0.270 870 S C 0.464 174.829 174.600 -0.391 0.000 1.155 870 S CA -0.923 57.197 58.200 -0.134 0.000 0.827 870 S CB 1.950 65.124 63.200 -0.042 0.000 1.130 870 S HN -0.013 nan 8.310 nan 0.000 0.467 871 R N 0.694 120.863 120.500 -0.552 0.000 2.066 871 R HA 0.049 4.386 4.340 -0.004 0.000 0.232 871 R C 0.954 177.251 176.300 -0.004 0.000 1.131 871 R CA 1.564 57.370 56.100 -0.491 0.000 0.955 871 R CB -0.811 29.236 30.300 -0.420 0.000 0.851 871 R HN 0.911 nan 8.270 nan 0.000 0.432 872 D N -0.769 119.736 120.400 0.175 0.000 3.584 872 D HA -0.300 4.338 4.640 -0.004 0.000 0.153 872 D C 0.267 176.801 176.300 0.389 0.000 0.949 872 D CA 2.193 56.358 54.000 0.275 0.000 1.011 872 D CB -0.700 40.227 40.800 0.211 0.000 0.476 872 D HN 0.101 nan 8.370 nan 0.000 0.460 873 L N 0.200 121.630 121.223 0.346 0.000 2.611 873 L HA 0.209 4.547 4.340 -0.004 0.000 0.229 873 L C 2.078 179.062 176.870 0.190 0.000 1.137 873 L CA 0.180 55.239 54.840 0.366 0.000 0.901 873 L CB -0.034 42.297 42.059 0.453 0.000 1.098 873 L HN 0.174 nan 8.230 nan 0.000 0.456 874 S N -0.533 115.255 115.700 0.147 0.000 2.370 874 S HA -0.287 4.181 4.470 -0.004 0.000 0.226 874 S C 1.885 176.423 174.600 -0.104 0.000 1.033 874 S CA 1.754 59.925 58.200 -0.048 0.000 1.011 874 S CB -0.299 62.972 63.200 0.119 0.000 0.852 874 S HN 0.614 nan 8.310 nan 0.000 0.457 875 H N 1.072 120.087 119.070 -0.092 0.000 2.353 875 H HA -0.003 4.551 4.556 -0.004 0.000 0.300 875 H C 2.147 177.420 175.328 -0.093 0.000 1.090 875 H CA 1.835 57.809 56.048 -0.123 0.000 1.327 875 H CB -0.176 29.486 29.762 -0.167 0.000 1.383 875 H HN 0.243 nan 8.280 nan 0.000 0.508 876 S N -0.286 115.517 115.700 0.170 0.000 2.406 876 S HA -0.066 4.402 4.470 -0.004 0.000 0.228 876 S C 2.166 176.768 174.600 0.004 0.000 1.020 876 S CA 1.052 59.389 58.200 0.228 0.000 0.965 876 S CB -0.110 63.389 63.200 0.499 0.000 0.798 876 S HN 0.367 nan 8.310 nan 0.000 0.488 877 I N 0.980 121.307 120.570 -0.405 0.000 2.163 877 I HA -0.237 3.930 4.170 -0.004 0.000 0.243 877 I C 2.481 178.450 176.117 -0.246 0.000 1.085 877 I CA 1.229 62.141 61.300 -0.646 0.000 1.347 877 I CB -0.253 37.283 38.000 -0.775 0.000 1.044 877 I HN 0.298 nan 8.210 nan 0.000 0.408 878 M N 0.832 120.296 119.600 -0.228 0.000 2.117 878 M HA -0.189 4.288 4.480 -0.004 0.000 0.262 878 M C 2.073 178.223 176.300 -0.250 0.000 1.065 878 M CA 1.802 56.995 55.300 -0.179 0.000 1.114 878 M CB -0.513 31.915 32.600 -0.287 0.000 1.361 878 M HN 0.119 nan 8.290 nan 0.000 0.408 879 E N -0.516 119.498 120.200 -0.311 0.000 2.049 879 E HA -0.297 4.050 4.350 -0.004 0.000 0.198 879 E C 2.215 178.652 176.600 -0.271 0.000 1.007 879 E CA 1.707 57.913 56.400 -0.324 0.000 0.809 879 E CB -0.450 29.177 29.700 -0.122 0.000 0.749 879 E HN 0.544 nan 8.360 nan 0.000 0.450 880 R N 0.628 121.165 120.500 0.063 0.000 2.152 880 R HA -0.125 4.213 4.340 -0.004 0.000 0.232 880 R C 2.164 178.586 176.300 0.204 0.000 1.117 880 R CA 1.138 57.420 56.100 0.304 0.000 0.981 880 R CB -0.098 30.417 30.300 0.358 0.000 0.870 880 R HN 0.146 nan 8.270 nan 0.000 0.451 881 A N 1.079 123.896 122.820 -0.005 0.000 1.873 881 A HA -0.089 4.228 4.320 -0.004 0.000 0.215 881 A C 2.143 179.680 177.584 -0.079 0.000 1.186 881 A CA 1.034 53.020 52.037 -0.086 0.000 0.616 881 A CB -0.531 18.384 19.000 -0.143 0.000 0.823 881 A HN 0.313 nan 8.150 nan 0.000 0.442 882 L N -1.596 119.519 121.223 -0.180 0.000 2.042 882 L HA -0.205 4.133 4.340 -0.004 0.000 0.210 882 L C 2.420 179.356 176.870 0.110 0.000 1.076 882 L CA 1.576 56.342 54.840 -0.123 0.000 0.749 882 L CB -0.809 41.140 42.059 -0.183 0.000 0.893 882 L HN 0.442 nan 8.230 nan 0.000 0.432 883 F N -1.314 118.695 119.950 0.098 0.000 2.641 883 F HA -0.123 4.401 4.527 -0.004 0.000 0.298 883 F C 2.059 177.878 175.800 0.032 0.000 1.146 883 F CA 0.421 58.374 58.000 -0.078 0.000 1.464 883 F CB -0.059 38.757 39.000 -0.307 0.000 1.101 883 F HN 0.229 nan 8.300 nan 0.000 0.585 884 H N -0.324 118.951 119.070 0.341 0.000 2.784 884 H HA 0.158 4.711 4.556 -0.004 0.000 0.273 884 H C 1.891 177.292 175.328 0.121 0.000 1.112 884 H CA 0.230 56.402 56.048 0.207 0.000 1.162 884 H CB 0.100 29.895 29.762 0.054 0.000 1.586 884 H HN 0.402 nan 8.280 nan 0.000 0.548 885 M N 0.367 120.086 119.600 0.198 0.000 2.686 885 M HA -0.022 4.456 4.480 -0.004 0.000 0.246 885 M C 0.667 177.023 176.300 0.093 0.000 1.096 885 M CA 1.216 56.607 55.300 0.152 0.000 1.076 885 M CB -0.006 32.727 32.600 0.222 0.000 1.504 885 M HN -0.080 nan 8.290 nan 0.000 0.524 886 D N -1.128 119.284 120.400 0.020 0.000 2.367 886 D HA 0.011 4.649 4.640 -0.004 0.000 0.207 886 D C 0.698 177.025 176.300 0.045 0.000 1.034 886 D CA -0.025 54.005 54.000 0.051 0.000 0.861 886 D CB -0.432 40.401 40.800 0.054 0.000 0.943 886 D HN 0.420 nan 8.370 nan 0.000 0.515 887 N N 0.510 119.212 118.700 0.004 0.000 1.111 887 N HA -0.300 4.438 4.740 -0.004 0.000 0.131 887 N C -0.066 175.370 175.510 -0.123 0.000 0.608 887 N CA 2.432 55.420 53.050 -0.103 0.000 0.899 887 N CB -1.150 37.193 38.487 -0.239 0.000 1.303 887 N HN 0.352 nan 8.380 nan 0.000 0.543 888 C N 0.173 119.151 119.300 -0.537 0.000 2.492 888 C HA 0.386 4.843 4.460 -0.004 0.000 0.317 888 C C -0.555 174.007 174.990 -0.712 0.000 1.347 888 C CA -0.451 58.370 59.018 -0.329 0.000 1.759 888 C CB -2.252 25.323 27.740 -0.275 0.000 2.127 888 C HN 0.309 nan 8.230 nan 0.000 0.579 889 Y N 0.665 120.693 120.300 -0.453 0.000 2.341 889 Y HA 0.440 4.988 4.550 -0.004 0.000 0.338 889 Y C 0.254 175.600 175.900 -0.924 0.000 0.965 889 Y CA -0.983 56.767 58.100 -0.583 0.000 1.108 889 Y CB 0.963 39.296 38.460 -0.212 0.000 1.180 889 Y HN -0.133 nan 8.280 nan 0.000 0.458 890 K N 4.123 124.061 120.400 -0.771 0.000 2.297 890 K HA 0.552 4.869 4.320 -0.004 0.000 0.286 890 K C -1.535 174.927 176.600 -0.230 0.000 1.053 890 K CA 0.063 56.012 56.287 -0.562 0.000 0.940 890 K CB 0.145 32.416 32.500 -0.382 0.000 1.019 890 K HN 0.695 nan 8.250 nan 0.000 0.475 891 I N 7.897 128.382 120.570 -0.141 0.000 2.563 891 I HA 0.239 4.407 4.170 -0.004 0.000 0.285 891 I C -1.765 174.304 176.117 -0.081 0.000 1.123 891 I CA -1.607 59.627 61.300 -0.110 0.000 1.059 891 I CB 2.422 40.362 38.000 -0.101 0.000 1.229 891 I HN 0.603 nan 8.210 nan 0.000 0.442 892 P HA 0.025 nan 4.420 nan 0.000 0.221 892 P C -0.278 176.982 177.300 -0.067 0.000 1.155 892 P CA 0.994 64.053 63.100 -0.068 0.000 0.812 892 P CB 0.316 31.970 31.700 -0.076 0.000 0.801 893 N N 0.590 119.222 118.700 -0.113 0.000 2.443 893 N HA 0.448 5.185 4.740 -0.004 0.000 0.269 893 N C -0.813 174.611 175.510 -0.143 0.000 0.985 893 N CA -0.310 52.666 53.050 -0.124 0.000 0.921 893 N CB 2.309 40.686 38.487 -0.183 0.000 1.195 893 N HN 0.068 nan 8.380 nan 0.000 0.492 894 I N 1.072 121.605 120.570 -0.061 0.000 2.680 894 I HA 0.302 4.470 4.170 -0.004 0.000 0.291 894 I C -1.473 174.673 176.117 0.048 0.000 1.244 894 I CA -0.602 60.682 61.300 -0.026 0.000 1.042 894 I CB 2.200 40.196 38.000 -0.007 0.000 1.277 894 I HN 0.353 nan 8.210 nan 0.000 0.423 895 R N 5.540 126.079 120.500 0.064 0.000 2.483 895 R HA 0.687 5.025 4.340 -0.004 0.000 0.303 895 R C -1.212 175.168 176.300 0.133 0.000 0.987 895 R CA -0.548 55.616 56.100 0.107 0.000 0.881 895 R CB 1.912 32.272 30.300 0.099 0.000 1.177 895 R HN 0.783 nan 8.270 nan 0.000 0.451 896 G N 1.982 110.887 108.800 0.176 0.000 2.530 896 G HA2 0.440 4.398 3.960 -0.004 0.000 0.316 896 G HA3 0.440 4.398 3.960 -0.004 0.000 0.316 896 G C -0.672 174.335 174.900 0.178 0.000 1.298 896 G CA -0.432 44.804 45.100 0.228 0.000 0.948 896 G HN 0.556 nan 8.290 nan 0.000 0.486 897 T N -0.742 113.910 114.554 0.164 0.000 2.908 897 T HA 0.831 5.179 4.350 -0.004 0.000 0.290 897 T C 0.043 174.756 174.700 0.023 0.000 1.034 897 T CA -0.623 61.503 62.100 0.043 0.000 1.010 897 T CB 2.340 71.192 68.868 -0.028 0.000 1.068 897 T HN 1.078 nan 8.240 nan 0.000 0.481 898 G N 0.840 109.564 108.800 -0.128 0.000 2.662 898 G HA2 0.640 4.598 3.960 -0.004 0.000 0.302 898 G HA3 0.640 4.598 3.960 -0.004 0.000 0.302 898 G C -1.469 173.254 174.900 -0.295 0.000 1.389 898 G CA -0.950 44.032 45.100 -0.197 0.000 0.998 898 G HN 0.739 nan 8.290 nan 0.000 0.502 899 R N 0.687 120.984 120.500 -0.338 0.000 2.673 899 R HA 0.615 4.953 4.340 -0.004 0.000 0.281 899 R C -1.028 175.212 176.300 -0.102 0.000 0.991 899 R CA -0.811 55.097 56.100 -0.320 0.000 0.896 899 R CB 1.623 31.604 30.300 -0.531 0.000 1.201 899 R HN 0.432 nan 8.270 nan 0.000 0.457 900 L N 3.248 124.487 121.223 0.028 0.000 2.276 900 L HA 0.503 4.841 4.340 -0.004 0.000 0.286 900 L C -0.482 176.560 176.870 0.286 0.000 1.024 900 L CA -0.975 53.955 54.840 0.150 0.000 0.826 900 L CB 1.591 43.764 42.059 0.189 0.000 1.211 900 L HN 0.526 nan 8.230 nan 0.000 0.422 901 C N 2.910 122.346 119.300 0.228 0.000 2.566 901 C HA 0.102 4.559 4.460 -0.004 0.000 0.393 901 C C 0.936 175.845 174.990 -0.135 0.000 1.309 901 C CA -0.592 58.465 59.018 0.065 0.000 1.801 901 C CB -0.369 27.406 27.740 0.058 0.000 2.493 901 C HN 0.689 nan 8.230 nan 0.000 0.575 902 K N 3.639 123.772 120.400 -0.446 0.000 2.310 902 K HA 0.366 4.684 4.320 -0.004 0.000 0.290 902 K C 0.281 176.695 176.600 -0.310 0.000 1.077 902 K CA 0.212 56.100 56.287 -0.665 0.000 0.922 902 K CB 0.346 32.237 32.500 -1.015 0.000 1.057 902 K HN 0.907 nan 8.250 nan 0.000 0.479 903 T N 0.251 114.709 114.554 -0.159 0.000 2.901 903 T HA 0.296 4.644 4.350 -0.004 0.000 0.293 903 T C -0.008 174.617 174.700 -0.126 0.000 1.084 903 T CA -1.100 60.915 62.100 -0.141 0.000 1.008 903 T CB 1.125 69.923 68.868 -0.116 0.000 1.170 903 T HN 0.424 nan 8.240 nan 0.000 0.509 904 N N 1.483 120.095 118.700 -0.148 0.000 3.091 904 N HA 0.317 5.055 4.740 -0.004 0.000 0.301 904 N C -0.842 174.600 175.510 -0.115 0.000 1.325 904 N CA 0.057 53.019 53.050 -0.147 0.000 1.143 904 N CB -0.605 37.798 38.487 -0.141 0.000 1.450 904 N HN 0.504 nan 8.380 nan 0.000 0.542 905 L N -0.569 120.591 121.223 -0.106 0.000 2.350 905 L HA 0.338 4.676 4.340 -0.004 0.000 0.260 905 L C 0.540 177.379 176.870 -0.051 0.000 1.015 905 L CA -0.892 53.890 54.840 -0.095 0.000 0.821 905 L CB 1.665 43.622 42.059 -0.171 0.000 1.370 905 L HN -0.110 nan 8.230 nan 0.000 0.416 906 S N 0.751 116.447 115.700 -0.006 0.000 2.599 906 S HA -0.067 4.401 4.470 -0.004 0.000 0.303 906 S C 0.286 174.893 174.600 0.010 0.000 1.267 906 S CA 0.064 58.276 58.200 0.020 0.000 1.055 906 S CB 0.362 63.603 63.200 0.067 0.000 0.790 906 S HN 0.567 nan 8.310 nan 0.000 0.500 907 S N 3.996 119.706 115.700 0.017 0.000 2.481 907 S HA 0.080 4.548 4.470 -0.004 0.000 0.282 907 S C 0.292 174.909 174.600 0.029 0.000 1.243 907 S CA -0.725 57.492 58.200 0.029 0.000 1.078 907 S CB -0.227 62.997 63.200 0.041 0.000 0.916 907 S HN 0.635 nan 8.310 nan 0.000 0.495 908 N N 2.995 121.658 118.700 -0.062 0.000 2.424 908 N HA 0.374 5.112 4.740 -0.004 0.000 0.257 908 N C 0.233 175.750 175.510 0.012 0.000 1.250 908 N CA -0.041 52.895 53.050 -0.190 0.000 0.946 908 N CB 1.414 39.460 38.487 -0.735 0.000 1.175 908 N HN 0.693 nan 8.380 nan 0.000 0.477 909 T N -1.395 113.267 114.554 0.180 0.000 2.618 909 T HA 0.597 4.944 4.350 -0.004 0.000 0.293 909 T C -1.262 173.739 174.700 0.502 0.000 1.093 909 T CA -0.527 61.805 62.100 0.387 0.000 1.061 909 T CB 0.446 69.507 68.868 0.322 0.000 1.498 909 T HN 0.494 nan 8.240 nan 0.000 0.494 910 A N 1.094 124.235 122.820 0.534 0.000 2.498 910 A HA 0.562 4.880 4.320 -0.004 0.000 0.239 910 A C -0.698 177.303 177.584 0.696 0.000 1.068 910 A CA 0.213 52.651 52.037 0.668 0.000 0.766 910 A CB -0.682 18.701 19.000 0.639 0.000 1.003 910 A HN 0.726 nan 8.150 nan 0.000 0.497 911 F N 2.238 122.488 119.950 0.500 0.000 2.689 911 F HA 0.389 4.914 4.527 -0.004 0.000 0.332 911 F C 0.506 176.492 175.800 0.310 0.000 1.209 911 F CA -1.028 57.210 58.000 0.398 0.000 1.028 911 F CB 1.097 40.175 39.000 0.130 0.000 1.291 911 F HN 0.804 nan 8.300 nan 0.000 0.500 912 R N 4.331 125.249 120.500 0.697 0.000 4.377 912 R HA -0.116 4.222 4.340 -0.004 0.000 0.109 912 R C 0.865 177.330 176.300 0.275 0.000 0.297 912 R CA 1.944 58.315 56.100 0.452 0.000 0.796 912 R CB -0.778 29.813 30.300 0.485 0.000 1.143 912 R HN 1.214 nan 8.270 nan 0.000 0.254 913 G N 3.415 112.336 108.800 0.202 0.000 2.697 913 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.200 913 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.200 913 G C 0.244 175.394 174.900 0.417 0.000 1.106 913 G CA -0.057 45.134 45.100 0.152 0.000 0.748 913 G HN 0.857 nan 8.290 nan 0.000 0.503 914 F N 0.891 120.962 119.950 0.202 0.000 2.985 914 F HA 0.105 4.629 4.527 -0.004 0.000 0.303 914 F C 1.718 177.601 175.800 0.138 0.000 0.976 914 F CA 2.425 60.552 58.000 0.212 0.000 1.013 914 F CB -1.031 38.104 39.000 0.225 0.000 1.060 914 F HN 2.152 nan 8.300 nan 0.000 0.780 915 G N -0.334 108.462 108.800 -0.006 0.000 2.284 915 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.247 915 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.247 915 G C 1.607 176.405 174.900 -0.170 0.000 1.012 915 G CA 0.850 45.862 45.100 -0.147 0.000 0.618 915 G HN 1.603 nan 8.290 nan 0.000 0.521 916 G N 1.727 110.519 108.800 -0.013 0.000 2.453 916 G HA2 0.078 4.036 3.960 -0.004 0.000 0.215 916 G HA3 0.078 4.036 3.960 -0.004 0.000 0.215 916 G C 0.127 174.990 174.900 -0.062 0.000 1.201 916 G CA 1.979 47.047 45.100 -0.053 0.000 0.784 916 G HN 0.535 nan 8.290 nan 0.000 0.545 917 P HA -0.102 nan 4.420 nan 0.000 0.216 917 P C 1.774 179.115 177.300 0.067 0.000 1.153 917 P CA 1.409 64.572 63.100 0.105 0.000 0.858 917 P CB -0.039 31.732 31.700 0.117 0.000 0.789 918 Q N -0.401 119.310 119.800 -0.149 0.000 2.020 918 Q HA -0.110 4.227 4.340 -0.004 0.000 0.202 918 Q C 2.342 178.247 176.000 -0.159 0.000 0.982 918 Q CA 2.083 57.737 55.803 -0.249 0.000 0.838 918 Q CB -1.339 26.883 28.738 -0.860 0.000 0.899 918 Q HN 0.165 nan 8.270 nan 0.000 0.423 919 A N 0.375 123.043 122.820 -0.254 0.000 1.933 919 A HA -0.140 4.178 4.320 -0.004 0.000 0.218 919 A C 2.074 179.617 177.584 -0.069 0.000 1.175 919 A CA 1.221 53.227 52.037 -0.052 0.000 0.628 919 A CB -0.703 18.271 19.000 -0.042 0.000 0.814 919 A HN 0.324 nan 8.150 nan 0.000 0.444 920 L N -2.189 118.889 121.223 -0.241 0.000 2.093 920 L HA -0.109 4.229 4.340 -0.004 0.000 0.208 920 L C 2.439 179.033 176.870 -0.461 0.000 1.085 920 L CA 1.345 55.828 54.840 -0.595 0.000 0.755 920 L CB -0.564 40.662 42.059 -1.390 0.000 0.904 920 L HN 0.475 nan 8.230 nan 0.000 0.435 921 F N 1.032 120.858 119.950 -0.206 0.000 2.161 921 F HA -0.222 4.302 4.527 -0.004 0.000 0.300 921 F C 2.210 178.005 175.800 -0.007 0.000 1.089 921 F CA 1.413 59.498 58.000 0.143 0.000 1.282 921 F CB -0.183 38.944 39.000 0.211 0.000 1.010 921 F HN -0.091 nan 8.300 nan 0.000 0.485 922 I N 0.065 120.551 120.570 -0.140 0.000 2.226 922 I HA -0.285 3.882 4.170 -0.004 0.000 0.245 922 I C 2.717 178.524 176.117 -0.517 0.000 1.100 922 I CA 1.121 62.273 61.300 -0.247 0.000 1.374 922 I CB -1.069 36.942 38.000 0.018 0.000 1.057 922 I HN 0.218 nan 8.210 nan 0.000 0.413 923 A N 0.601 123.126 122.820 -0.493 0.000 1.865 923 A HA -0.209 4.109 4.320 -0.004 0.000 0.217 923 A C 2.245 179.046 177.584 -1.305 0.000 1.191 923 A CA 1.626 53.104 52.037 -0.932 0.000 0.623 923 A CB -0.497 18.245 19.000 -0.429 0.000 0.826 923 A HN 0.324 nan 8.150 nan 0.000 0.444 924 E N -0.195 119.574 120.200 -0.719 0.000 2.153 924 E HA -0.180 4.168 4.350 -0.004 0.000 0.194 924 E C 1.795 177.868 176.600 -0.880 0.000 0.988 924 E CA 1.284 57.232 56.400 -0.753 0.000 0.811 924 E CB -0.528 28.827 29.700 -0.576 0.000 0.746 924 E HN 0.726 nan 8.360 nan 0.000 0.466 925 N N 1.040 119.352 118.700 -0.647 0.000 2.058 925 N HA -0.155 4.583 4.740 -0.004 0.000 0.191 925 N C 1.921 177.221 175.510 -0.349 0.000 1.037 925 N CA 1.956 54.789 53.050 -0.362 0.000 0.848 925 N CB -0.387 37.841 38.487 -0.432 0.000 1.021 925 N HN 0.404 nan 8.380 nan 0.000 0.422 926 W N -0.579 120.454 121.300 -0.446 0.000 2.392 926 W HA -0.113 4.544 4.660 -0.004 0.000 0.279 926 W C 1.599 177.930 176.519 -0.315 0.000 1.225 926 W CA 0.204 57.310 57.345 -0.398 0.000 1.233 926 W CB -0.646 28.502 29.460 -0.521 0.000 1.122 926 W HN 0.154 nan 8.180 nan 0.000 0.561 927 M N 3.309 122.654 119.600 -0.424 0.000 2.099 927 M HA -0.175 4.302 4.480 -0.004 0.000 0.262 927 M C 2.598 178.730 176.300 -0.280 0.000 1.067 927 M CA 2.826 57.889 55.300 -0.395 0.000 1.124 927 M CB -1.014 31.107 32.600 -0.799 0.000 1.353 927 M HN 0.087 nan 8.290 nan 0.000 0.410 928 S N -1.120 114.396 115.700 -0.307 0.000 2.447 928 S HA -0.107 4.360 4.470 -0.004 0.000 0.233 928 S C 1.710 176.257 174.600 -0.089 0.000 1.006 928 S CA 1.370 59.460 58.200 -0.184 0.000 0.957 928 S CB -0.669 62.446 63.200 -0.141 0.000 0.773 928 S HN 0.690 nan 8.310 nan 0.000 0.507 929 E N 0.538 120.691 120.200 -0.079 0.000 2.190 929 E HA 0.069 4.416 4.350 -0.004 0.000 0.191 929 E C 2.005 178.545 176.600 -0.100 0.000 0.978 929 E CA 0.589 56.971 56.400 -0.031 0.000 0.839 929 E CB -0.102 29.629 29.700 0.050 0.000 0.787 929 E HN 0.351 nan 8.360 nan 0.000 0.473 930 V N 1.659 121.426 119.914 -0.245 0.000 2.287 930 V HA -0.312 3.805 4.120 -0.004 0.000 0.248 930 V C 2.365 178.286 176.094 -0.288 0.000 1.053 930 V CA 2.106 64.048 62.300 -0.596 0.000 1.027 930 V CB -0.684 30.739 31.823 -0.666 0.000 0.646 930 V HN 0.327 nan 8.190 nan 0.000 0.447 931 A N -0.533 122.192 122.820 -0.159 0.000 1.902 931 A HA -0.150 4.167 4.320 -0.004 0.000 0.217 931 A C 2.388 179.975 177.584 0.004 0.000 1.181 931 A CA 2.040 54.044 52.037 -0.055 0.000 0.623 931 A CB -0.653 18.324 19.000 -0.038 0.000 0.818 931 A HN 0.333 nan 8.150 nan 0.000 0.443 932 V N -0.243 119.675 119.914 0.007 0.000 2.261 932 V HA -0.238 3.880 4.120 -0.004 0.000 0.246 932 V C 2.755 178.895 176.094 0.077 0.000 1.047 932 V CA 2.515 64.845 62.300 0.050 0.000 1.015 932 V CB -1.331 30.524 31.823 0.053 0.000 0.642 932 V HN 0.607 nan 8.190 nan 0.000 0.446 933 T N -1.131 113.479 114.554 0.092 0.000 2.737 933 T HA -0.262 4.086 4.350 -0.004 0.000 0.269 933 T C 1.780 176.589 174.700 0.181 0.000 1.040 933 T CA 2.034 64.235 62.100 0.170 0.000 1.142 933 T CB -0.503 68.549 68.868 0.308 0.000 0.861 933 T HN 0.548 nan 8.240 nan 0.000 0.456 934 C N 0.451 119.853 119.300 0.170 0.000 2.514 934 C HA 0.452 4.910 4.460 -0.004 0.000 0.271 934 C C 2.156 177.209 174.990 0.104 0.000 1.399 934 C CA -0.216 58.899 59.018 0.162 0.000 1.765 934 C CB -1.198 26.643 27.740 0.169 0.000 1.893 934 C HN 0.832 nan 8.230 nan 0.000 0.531 935 G N 0.858 109.710 108.800 0.087 0.000 2.176 935 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.252 935 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.252 935 G C -0.216 174.726 174.900 0.069 0.000 1.024 935 G CA 0.016 45.160 45.100 0.072 0.000 0.755 935 G HN 0.527 nan 8.290 nan 0.000 0.507 936 L N 0.000 121.266 121.223 0.070 0.000 2.334 936 L HA 0.510 4.848 4.340 -0.004 0.000 0.276 936 L C -1.820 175.099 176.870 0.081 0.000 1.014 936 L CA -2.566 52.319 54.840 0.074 0.000 0.815 936 L CB 1.601 43.704 42.059 0.072 0.000 1.268 936 L HN -0.164 nan 8.230 nan 0.000 0.428 937 P HA -0.065 nan 4.420 nan 0.000 0.263 937 P C 0.099 177.478 177.300 0.131 0.000 1.175 937 P CA 0.205 63.386 63.100 0.134 0.000 0.761 937 P CB 0.806 32.610 31.700 0.173 0.000 0.794 938 A N 4.133 127.033 122.820 0.133 0.000 1.898 938 A HA -0.197 4.120 4.320 -0.004 0.000 0.216 938 A C 1.786 179.463 177.584 0.155 0.000 1.181 938 A CA 1.542 53.640 52.037 0.101 0.000 0.620 938 A CB -0.944 18.103 19.000 0.078 0.000 0.819 938 A HN 0.573 nan 8.150 nan 0.000 0.442 939 E N 0.526 120.863 120.200 0.228 0.000 2.130 939 E HA -0.214 4.134 4.350 -0.004 0.000 0.196 939 E C 1.789 178.627 176.600 0.397 0.000 0.998 939 E CA 1.457 58.091 56.400 0.390 0.000 0.806 939 E CB -0.322 29.526 29.700 0.246 0.000 0.738 939 E HN 0.767 nan 8.360 nan 0.000 0.459 940 E N 0.405 120.771 120.200 0.278 0.000 2.015 940 E HA -0.134 4.213 4.350 -0.004 0.000 0.191 940 E C 2.116 178.820 176.600 0.173 0.000 0.991 940 E CA 1.259 57.805 56.400 0.244 0.000 0.802 940 E CB 0.074 29.886 29.700 0.186 0.000 0.759 940 E HN 0.133 nan 8.360 nan 0.000 0.447 941 V N 1.363 121.330 119.914 0.090 0.000 2.332 941 V HA -0.277 3.840 4.120 -0.004 0.000 0.248 941 V C 2.410 178.447 176.094 -0.095 0.000 1.055 941 V CA 1.762 64.056 62.300 -0.010 0.000 1.038 941 V CB -0.493 31.296 31.823 -0.056 0.000 0.651 941 V HN 0.232 nan 8.190 nan 0.000 0.450 942 R N -1.175 119.281 120.500 -0.074 0.000 2.070 942 R HA -0.208 4.130 4.340 -0.004 0.000 0.232 942 R C 2.277 178.521 176.300 -0.092 0.000 1.138 942 R CA 2.071 58.081 56.100 -0.150 0.000 0.936 942 R CB -0.606 29.711 30.300 0.029 0.000 0.839 942 R HN 0.691 nan 8.270 nan 0.000 0.429 943 W N 2.421 123.545 121.300 -0.293 0.000 2.304 943 W HA -0.279 4.379 4.660 -0.004 0.000 0.315 943 W C 1.480 177.899 176.519 -0.168 0.000 1.233 943 W CA 1.631 58.767 57.345 -0.347 0.000 1.261 943 W CB -0.155 29.183 29.460 -0.203 0.000 1.150 943 W HN 0.104 nan 8.180 nan 0.000 0.494 944 K N -0.287 120.075 120.400 -0.064 0.000 2.113 944 K HA -0.208 4.110 4.320 -0.004 0.000 0.208 944 K C 1.497 177.965 176.600 -0.219 0.000 1.047 944 K CA 1.658 57.864 56.287 -0.135 0.000 0.928 944 K CB -0.398 32.086 32.500 -0.027 0.000 0.716 944 K HN 0.156 nan 8.250 nan 0.000 0.446 945 N N 0.169 118.751 118.700 -0.196 0.000 2.412 945 N HA 0.028 4.765 4.740 -0.004 0.000 0.184 945 N C 0.287 175.729 175.510 -0.113 0.000 1.101 945 N CA 0.167 53.118 53.050 -0.165 0.000 0.881 945 N CB 0.245 38.598 38.487 -0.223 0.000 0.969 945 N HN 0.195 nan 8.380 nan 0.000 0.459 946 M N 1.076 120.559 119.600 -0.194 0.000 2.248 946 M HA -0.020 4.458 4.480 -0.004 0.000 0.345 946 M C -0.115 175.995 176.300 -0.316 0.000 1.243 946 M CA 0.084 55.239 55.300 -0.240 0.000 1.090 946 M CB 0.324 32.687 32.600 -0.396 0.000 1.683 946 M HN 0.076 nan 8.290 nan 0.000 0.450 947 Y N 2.967 123.076 120.300 -0.319 0.000 2.861 947 Y HA -0.119 4.428 4.550 -0.004 0.000 0.344 947 Y C 0.633 176.152 175.900 -0.634 0.000 1.272 947 Y CA 0.332 58.089 58.100 -0.572 0.000 1.502 947 Y CB 0.354 38.202 38.460 -1.020 0.000 1.333 947 Y HN 0.410 nan 8.280 nan 0.000 0.634 948 K N 1.782 121.969 120.400 -0.355 0.000 2.118 948 K HA 0.160 4.478 4.320 -0.004 0.000 0.254 948 K C -0.696 175.673 176.600 -0.385 0.000 0.961 948 K CA -1.168 54.943 56.287 -0.294 0.000 0.876 948 K CB 1.418 33.811 32.500 -0.179 0.000 1.077 948 K HN 0.561 nan 8.250 nan 0.000 0.440 949 E N 0.269 120.372 120.200 -0.163 0.000 2.900 949 E HA -0.026 4.321 4.350 -0.004 0.000 0.259 949 E C 0.785 177.299 176.600 -0.144 0.000 0.918 949 E CA 1.881 58.227 56.400 -0.090 0.000 0.960 949 E CB -0.360 29.348 29.700 0.014 0.000 0.908 949 E HN 0.729 nan 8.360 nan 0.000 0.511 950 G N 3.698 112.399 108.800 -0.165 0.000 2.176 950 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.232 950 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.232 950 G C -0.131 174.658 174.900 -0.186 0.000 0.986 950 G CA -0.021 44.998 45.100 -0.134 0.000 0.643 950 G HN 0.651 nan 8.290 nan 0.000 0.522 951 D N 0.702 120.934 120.400 -0.281 0.000 2.399 951 D HA 0.416 5.054 4.640 -0.004 0.000 0.241 951 D C 1.281 177.375 176.300 -0.342 0.000 1.133 951 D CA 0.120 53.956 54.000 -0.273 0.000 0.890 951 D CB 0.638 41.297 40.800 -0.236 0.000 1.201 951 D HN 0.338 nan 8.370 nan 0.000 0.432 952 L N 1.570 122.647 121.223 -0.243 0.000 2.350 952 L HA 0.255 4.593 4.340 -0.004 0.000 0.275 952 L C 1.380 178.067 176.870 -0.305 0.000 1.099 952 L CA -0.676 53.998 54.840 -0.278 0.000 0.808 952 L CB 0.982 42.939 42.059 -0.170 0.000 1.149 952 L HN 0.415 nan 8.230 nan 0.000 0.442 953 T N -2.880 111.379 114.554 -0.492 0.000 2.788 953 T HA 0.067 4.415 4.350 -0.004 0.000 0.280 953 T C 1.405 175.966 174.700 -0.231 0.000 0.984 953 T CA -0.384 61.456 62.100 -0.433 0.000 0.972 953 T CB 0.603 68.877 68.868 -0.990 0.000 1.039 953 T HN 0.737 nan 8.240 nan 0.000 0.530 954 H N 0.338 119.325 119.070 -0.138 0.000 2.489 954 H HA -0.060 4.493 4.556 -0.004 0.000 0.293 954 H C 1.260 176.615 175.328 0.046 0.000 1.066 954 H CA 1.408 57.456 56.048 0.002 0.000 1.305 954 H CB -0.801 29.035 29.762 0.124 0.000 1.386 954 H HN 0.777 nan 8.280 nan 0.000 0.551 955 F N -0.206 119.535 119.950 -0.348 0.000 2.664 955 F HA 0.407 4.931 4.527 -0.004 0.000 0.303 955 F C -0.100 175.685 175.800 -0.026 0.000 1.092 955 F CA -0.718 57.160 58.000 -0.204 0.000 1.305 955 F CB 0.008 38.723 39.000 -0.476 0.000 1.054 955 F HN -0.114 nan 8.300 nan 0.000 0.565 956 N N 1.370 119.876 118.700 -0.322 0.000 2.920 956 N HA -0.212 4.525 4.740 -0.004 0.000 0.247 956 N C -0.525 174.888 175.510 -0.163 0.000 1.123 956 N CA 0.781 53.734 53.050 -0.161 0.000 0.711 956 N CB -1.350 37.132 38.487 -0.009 0.000 1.065 956 N HN 0.776 nan 8.380 nan 0.000 0.554 957 Q N 0.334 119.929 119.800 -0.341 0.000 2.333 957 Q HA 0.436 4.774 4.340 -0.004 0.000 0.267 957 Q C -0.098 175.786 176.000 -0.193 0.000 1.012 957 Q CA -0.712 54.999 55.803 -0.153 0.000 0.824 957 Q CB 1.698 30.461 28.738 0.041 0.000 1.290 957 Q HN 0.267 nan 8.270 nan 0.000 0.449 958 R N 2.985 123.431 120.500 -0.091 0.000 2.643 958 R HA 0.224 4.561 4.340 -0.004 0.000 0.270 958 R C -0.888 175.357 176.300 -0.091 0.000 1.061 958 R CA 0.020 56.049 56.100 -0.117 0.000 1.107 958 R CB 0.429 30.692 30.300 -0.061 0.000 0.999 958 R HN 0.592 nan 8.270 nan 0.000 0.460 959 L N 4.685 125.787 121.223 -0.201 0.000 2.272 959 L HA 0.287 4.625 4.340 -0.004 0.000 0.284 959 L C -0.174 176.697 176.870 0.002 0.000 1.045 959 L CA -0.145 54.617 54.840 -0.130 0.000 0.842 959 L CB 1.174 42.982 42.059 -0.418 0.000 1.224 959 L HN 0.557 nan 8.230 nan 0.000 0.430 960 E N 2.734 123.005 120.200 0.119 0.000 2.197 960 E HA 0.333 4.680 4.350 -0.004 0.000 0.281 960 E C 0.632 177.339 176.600 0.178 0.000 0.995 960 E CA -0.348 56.120 56.400 0.114 0.000 0.808 960 E CB 1.699 31.455 29.700 0.094 0.000 1.093 960 E HN 0.756 nan 8.360 nan 0.000 0.394 961 G N 3.565 112.444 108.800 0.131 0.000 2.333 961 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.296 961 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.296 961 G C -0.381 174.613 174.900 0.157 0.000 1.059 961 G CA -0.007 45.168 45.100 0.125 0.000 1.050 961 G HN 0.499 nan 8.290 nan 0.000 0.508 962 F N 2.148 122.033 119.950 -0.109 0.000 2.405 962 F HA 0.500 5.024 4.527 -0.004 0.000 0.358 962 F C 1.324 176.856 175.800 -0.445 0.000 1.151 962 F CA -0.398 57.351 58.000 -0.417 0.000 1.161 962 F CB 0.781 39.590 39.000 -0.318 0.000 1.245 962 F HN 0.271 nan 8.300 nan 0.000 0.545 963 S N 2.798 117.907 115.700 -0.986 0.000 2.556 963 S HA 0.032 4.499 4.470 -0.004 0.000 0.216 963 S C 1.504 175.783 174.600 -0.536 0.000 0.970 963 S CA 0.257 58.156 58.200 -0.502 0.000 0.912 963 S CB -0.286 62.815 63.200 -0.164 0.000 0.790 963 S HN 0.436 nan 8.310 nan 0.000 0.504 964 V N 2.977 122.268 119.914 -1.038 0.000 2.287 964 V HA -0.071 4.047 4.120 -0.004 0.000 0.248 964 V C -0.387 175.639 176.094 -0.114 0.000 1.053 964 V CA 1.840 63.811 62.300 -0.547 0.000 1.027 964 V CB -1.746 29.658 31.823 -0.698 0.000 0.646 964 V HN 0.365 nan 8.190 nan 0.000 0.447 965 P HA -0.195 nan 4.420 nan 0.000 0.216 965 P C 1.763 179.225 177.300 0.270 0.000 1.157 965 P CA 1.665 64.948 63.100 0.304 0.000 0.880 965 P CB -0.125 31.742 31.700 0.277 0.000 0.791 966 R N -1.183 119.385 120.500 0.113 0.000 2.081 966 R HA -0.104 4.233 4.340 -0.004 0.000 0.235 966 R C 2.319 178.667 176.300 0.079 0.000 1.131 966 R CA 1.722 57.872 56.100 0.083 0.000 0.960 966 R CB -1.247 29.073 30.300 0.033 0.000 0.856 966 R HN 0.268 nan 8.270 nan 0.000 0.436 967 C N -0.486 118.856 119.300 0.071 0.000 2.425 967 C HA -0.126 4.332 4.460 -0.004 0.000 0.277 967 C C 2.371 177.426 174.990 0.109 0.000 1.280 967 C CA -0.082 58.980 59.018 0.074 0.000 1.744 967 C CB -1.109 26.678 27.740 0.079 0.000 1.989 967 C HN 0.645 nan 8.230 nan 0.000 0.491 968 W N 2.154 123.449 121.300 -0.008 0.000 2.352 968 W HA -0.127 4.531 4.660 -0.004 0.000 0.322 968 W C 2.006 178.480 176.519 -0.076 0.000 1.208 968 W CA 1.745 59.084 57.345 -0.010 0.000 1.286 968 W CB -0.660 28.869 29.460 0.115 0.000 1.167 968 W HN 0.398 nan 8.180 nan 0.000 0.469 969 D N -0.062 120.420 120.400 0.138 0.000 2.178 969 D HA -0.179 4.459 4.640 -0.004 0.000 0.202 969 D C 1.882 178.145 176.300 -0.060 0.000 0.974 969 D CA 1.343 55.331 54.000 -0.021 0.000 0.841 969 D CB -0.253 40.549 40.800 0.003 0.000 0.953 969 D HN 0.409 nan 8.370 nan 0.000 0.478 970 E N -0.038 120.145 120.200 -0.028 0.000 2.106 970 E HA -0.134 4.213 4.350 -0.004 0.000 0.192 970 E C 2.144 178.693 176.600 -0.085 0.000 0.984 970 E CA 0.430 56.806 56.400 -0.041 0.000 0.806 970 E CB 0.079 29.770 29.700 -0.015 0.000 0.750 970 E HN 0.153 nan 8.360 nan 0.000 0.458 971 C N 0.282 119.503 119.300 -0.132 0.000 2.476 971 C HA -0.038 4.419 4.460 -0.004 0.000 0.278 971 C C 2.501 177.344 174.990 -0.244 0.000 1.274 971 C CA 0.349 59.257 59.018 -0.183 0.000 1.713 971 C CB -1.038 26.573 27.740 -0.217 0.000 2.039 971 C HN 0.405 nan 8.230 nan 0.000 0.484 972 L N 1.162 122.167 121.223 -0.363 0.000 1.997 972 L HA -0.251 4.086 4.340 -0.004 0.000 0.216 972 L C 2.690 179.471 176.870 -0.148 0.000 1.074 972 L CA 2.478 57.108 54.840 -0.349 0.000 0.763 972 L CB -0.921 40.895 42.059 -0.405 0.000 0.890 972 L HN 0.439 nan 8.230 nan 0.000 0.434 973 K N 0.312 120.654 120.400 -0.096 0.000 1.991 973 K HA -0.213 4.105 4.320 -0.004 0.000 0.212 973 K C 2.301 178.880 176.600 -0.036 0.000 1.049 973 K CA 2.118 58.383 56.287 -0.037 0.000 0.932 973 K CB -0.139 32.346 32.500 -0.027 0.000 0.717 973 K HN 0.381 nan 8.250 nan 0.000 0.441 974 S N 0.001 115.670 115.700 -0.052 0.000 2.428 974 S HA -0.099 4.369 4.470 -0.004 0.000 0.230 974 S C 1.980 176.552 174.600 -0.047 0.000 1.014 974 S CA 1.124 59.298 58.200 -0.044 0.000 0.957 974 S CB -0.289 62.884 63.200 -0.046 0.000 0.784 974 S HN 0.465 nan 8.310 nan 0.000 0.499 975 S N 0.568 116.231 115.700 -0.062 0.000 2.561 975 S HA 0.101 4.568 4.470 -0.004 0.000 0.225 975 S C 0.598 175.176 174.600 -0.037 0.000 0.977 975 S CA 0.284 58.453 58.200 -0.052 0.000 0.926 975 S CB -0.769 62.393 63.200 -0.064 0.000 0.769 975 S HN 0.560 nan 8.310 nan 0.000 0.533 976 Q N -0.588 119.195 119.800 -0.029 0.000 2.463 976 Q HA -0.267 4.071 4.340 -0.004 0.000 0.299 976 Q C 0.216 176.198 176.000 -0.030 0.000 1.353 976 Q CA 0.649 56.444 55.803 -0.013 0.000 0.828 976 Q CB -2.354 26.374 28.738 -0.017 0.000 1.157 976 Q HN 0.791 nan 8.270 nan 0.000 0.436 977 Y N -0.392 119.777 120.300 -0.218 0.000 2.053 977 Y HA -0.357 4.190 4.550 -0.004 0.000 0.277 977 Y C 1.596 177.324 175.900 -0.286 0.000 1.159 977 Y CA 2.552 60.450 58.100 -0.336 0.000 1.125 977 Y CB -0.345 37.769 38.460 -0.575 0.000 0.969 977 Y HN 0.426 nan 8.280 nan 0.000 0.492 978 Y N -0.229 120.065 120.300 -0.011 0.000 2.097 978 Y HA -0.301 4.246 4.550 -0.004 0.000 0.282 978 Y C 2.776 178.606 175.900 -0.116 0.000 1.152 978 Y CA 1.177 59.230 58.100 -0.080 0.000 1.136 978 Y CB -1.124 37.353 38.460 0.030 0.000 0.975 978 Y HN 0.268 nan 8.280 nan 0.000 0.498 979 A N 0.674 123.537 122.820 0.072 0.000 1.915 979 A HA -0.305 4.013 4.320 -0.004 0.000 0.220 979 A C 2.176 179.727 177.584 -0.055 0.000 1.198 979 A CA 2.489 54.531 52.037 0.008 0.000 0.647 979 A CB -0.692 18.312 19.000 0.006 0.000 0.825 979 A HN 0.488 nan 8.150 nan 0.000 0.456 980 R N -1.288 119.137 120.500 -0.125 0.000 2.210 980 R HA 0.045 4.382 4.340 -0.004 0.000 0.203 980 R C 2.231 178.400 176.300 -0.218 0.000 1.010 980 R CA 0.848 56.856 56.100 -0.154 0.000 1.008 980 R CB -0.167 30.041 30.300 -0.154 0.000 0.923 980 R HN 0.597 nan 8.270 nan 0.000 0.469 981 K N 0.755 120.948 120.400 -0.346 0.000 2.063 981 K HA -0.120 4.197 4.320 -0.004 0.000 0.208 981 K C 1.955 178.476 176.600 -0.132 0.000 1.048 981 K CA 1.585 57.676 56.287 -0.326 0.000 0.928 981 K CB 0.047 32.294 32.500 -0.421 0.000 0.713 981 K HN -0.020 nan 8.250 nan 0.000 0.442 982 S N 0.871 116.524 115.700 -0.078 0.000 2.359 982 S HA -0.172 4.296 4.470 -0.004 0.000 0.224 982 S C 1.688 176.278 174.600 -0.017 0.000 1.035 982 S CA 1.643 59.826 58.200 -0.028 0.000 1.018 982 S CB -0.223 62.971 63.200 -0.011 0.000 0.876 982 S HN 0.353 nan 8.310 nan 0.000 0.448 983 E N 0.288 120.471 120.200 -0.028 0.000 2.110 983 E HA -0.084 4.264 4.350 -0.004 0.000 0.193 983 E C 2.004 178.626 176.600 0.037 0.000 0.988 983 E CA 0.787 57.189 56.400 0.004 0.000 0.804 983 E CB -0.132 29.558 29.700 -0.016 0.000 0.745 983 E HN 0.236 nan 8.360 nan 0.000 0.458 984 V N 0.736 120.645 119.914 -0.008 0.000 2.244 984 V HA -0.271 3.847 4.120 -0.004 0.000 0.244 984 V C 1.493 177.633 176.094 0.077 0.000 1.042 984 V CA 2.157 64.464 62.300 0.012 0.000 1.006 984 V CB -0.551 31.237 31.823 -0.058 0.000 0.641 984 V HN 0.252 nan 8.190 nan 0.000 0.446 985 D N -0.341 120.078 120.400 0.031 0.000 2.192 985 D HA -0.286 4.352 4.640 -0.004 0.000 0.189 985 D C 2.229 178.554 176.300 0.043 0.000 1.007 985 D CA 2.113 56.131 54.000 0.031 0.000 0.859 985 D CB -0.146 40.661 40.800 0.011 0.000 0.936 985 D HN 0.328 nan 8.370 nan 0.000 0.447 986 K N -0.620 119.809 120.400 0.049 0.000 1.991 986 K HA -0.181 4.137 4.320 -0.004 0.000 0.212 986 K C 2.114 178.752 176.600 0.064 0.000 1.049 986 K CA 1.171 57.484 56.287 0.043 0.000 0.932 986 K CB -0.432 32.096 32.500 0.046 0.000 0.717 986 K HN 0.148 nan 8.250 nan 0.000 0.441 987 F N 2.360 122.294 119.950 -0.026 0.000 2.115 987 F HA -0.300 4.225 4.527 -0.004 0.000 0.300 987 F C 1.782 177.566 175.800 -0.026 0.000 1.092 987 F CA 1.751 59.738 58.000 -0.021 0.000 1.245 987 F CB -0.168 38.822 39.000 -0.018 0.000 0.995 987 F HN 0.168 nan 8.300 nan 0.000 0.481 988 N N 0.450 119.242 118.700 0.154 0.000 2.270 988 N HA -0.110 4.627 4.740 -0.004 0.000 0.181 988 N C 1.647 177.114 175.510 -0.070 0.000 1.016 988 N CA 1.133 54.220 53.050 0.061 0.000 0.870 988 N CB -0.317 38.224 38.487 0.091 0.000 0.979 988 N HN 0.385 nan 8.380 nan 0.000 0.431 989 K N 0.713 121.073 120.400 -0.067 0.000 2.148 989 K HA -0.023 4.295 4.320 -0.004 0.000 0.204 989 K C 1.047 177.566 176.600 -0.135 0.000 1.050 989 K CA 0.856 57.087 56.287 -0.093 0.000 0.942 989 K CB 0.060 32.524 32.500 -0.060 0.000 0.724 989 K HN 0.268 nan 8.250 nan 0.000 0.446 990 E N 0.214 120.306 120.200 -0.179 0.000 2.479 990 E HA 0.071 4.418 4.350 -0.004 0.000 0.193 990 E C -0.452 175.972 176.600 -0.292 0.000 1.049 990 E CA -0.016 56.257 56.400 -0.212 0.000 0.870 990 E CB 0.355 29.937 29.700 -0.196 0.000 0.944 990 E HN 0.162 nan 8.360 nan 0.000 0.492 991 N N -0.427 118.070 118.700 -0.338 0.000 2.371 991 N HA 0.074 4.812 4.740 -0.004 0.000 0.291 991 N C -0.626 174.742 175.510 -0.238 0.000 1.053 991 N CA -0.274 52.569 53.050 -0.345 0.000 0.870 991 N CB 1.777 39.867 38.487 -0.661 0.000 1.503 991 N HN -0.028 nan 8.380 nan 0.000 0.485 992 C N 1.391 120.558 119.300 -0.222 0.000 2.538 992 C HA 0.196 4.654 4.460 -0.004 0.000 0.281 992 C C 1.300 176.083 174.990 -0.346 0.000 1.320 992 C CA 0.139 58.903 59.018 -0.422 0.000 1.714 992 C CB -0.477 26.908 27.740 -0.592 0.000 2.095 992 C HN 0.881 nan 8.230 nan 0.000 0.497 993 W N 0.723 122.102 121.300 0.130 0.000 2.871 993 W HA 0.374 5.031 4.660 -0.004 0.000 0.340 993 W C 0.575 177.161 176.519 0.110 0.000 1.058 993 W CA -0.343 57.087 57.345 0.142 0.000 1.633 993 W CB 0.348 29.857 29.460 0.082 0.000 1.067 993 W HN -0.010 nan 8.180 nan 0.000 0.554 994 K N 1.499 122.071 120.400 0.287 0.000 2.270 994 K HA 0.421 4.739 4.320 -0.004 0.000 0.255 994 K C -0.191 176.623 176.600 0.358 0.000 0.936 994 K CA -0.819 55.650 56.287 0.304 0.000 0.809 994 K CB 2.044 34.762 32.500 0.364 0.000 1.131 994 K HN -0.475 nan 8.250 nan 0.000 0.427 995 K N 2.115 122.709 120.400 0.323 0.000 2.395 995 K HA 0.504 4.821 4.320 -0.004 0.000 0.247 995 K C -0.323 176.368 176.600 0.153 0.000 0.973 995 K CA -0.801 55.663 56.287 0.295 0.000 0.828 995 K CB 2.065 34.654 32.500 0.147 0.000 1.272 995 K HN 0.520 nan 8.250 nan 0.000 0.439 996 R N -0.401 120.150 120.500 0.086 0.000 2.828 996 R HA 0.770 5.108 4.340 -0.004 0.000 0.264 996 R C -0.082 176.199 176.300 -0.031 0.000 1.022 996 R CA -1.089 54.952 56.100 -0.098 0.000 1.021 996 R CB 1.904 32.022 30.300 -0.303 0.000 1.163 996 R HN 0.745 nan 8.270 nan 0.000 0.494 997 G N 0.841 109.608 108.800 -0.055 0.000 2.706 997 G HA2 0.571 4.528 3.960 -0.004 0.000 0.297 997 G HA3 0.571 4.528 3.960 -0.004 0.000 0.297 997 G C -2.101 172.780 174.900 -0.031 0.000 1.403 997 G CA -0.420 44.666 45.100 -0.024 0.000 0.954 997 G HN 0.341 nan 8.290 nan 0.000 0.500 998 L N 0.941 122.159 121.223 -0.009 0.000 2.431 998 L HA 0.876 5.213 4.340 -0.004 0.000 0.266 998 L C -0.930 175.997 176.870 0.096 0.000 0.978 998 L CA -0.510 54.333 54.840 0.004 0.000 0.822 998 L CB 2.030 44.029 42.059 -0.099 0.000 1.310 998 L HN 0.830 nan 8.230 nan 0.000 0.409 999 C N 4.928 124.312 119.300 0.139 0.000 3.082 999 C HA 0.681 5.139 4.460 -0.004 0.000 0.324 999 C C -1.311 173.733 174.990 0.090 0.000 1.210 999 C CA -0.831 58.284 59.018 0.162 0.000 1.366 999 C CB 1.193 29.029 27.740 0.161 0.000 1.756 999 C HN 0.913 nan 8.230 nan 0.000 0.485 1000 I N 5.655 126.213 120.570 -0.020 0.000 2.436 1000 I HA 0.679 4.847 4.170 -0.004 0.000 0.289 1000 I C -1.114 174.969 176.117 -0.056 0.000 1.010 1000 I CA -0.521 60.652 61.300 -0.212 0.000 1.098 1000 I CB 0.878 38.453 38.000 -0.708 0.000 1.266 1000 I HN 0.632 nan 8.210 nan 0.000 0.434 1001 I N 9.572 130.156 120.570 0.022 0.000 2.466 1001 I HA 0.479 4.647 4.170 -0.004 0.000 0.289 1001 I C -2.404 173.878 176.117 0.275 0.000 1.026 1001 I CA -1.914 59.485 61.300 0.165 0.000 1.078 1001 I CB 2.590 40.617 38.000 0.046 0.000 1.249 1001 I HN 0.386 nan 8.210 nan 0.000 0.429 1002 P HA 0.336 nan 4.420 nan 0.000 0.281 1002 P C -0.723 176.767 177.300 0.317 0.000 1.281 1002 P CA -0.320 62.993 63.100 0.354 0.000 0.811 1002 P CB 1.939 33.796 31.700 0.262 0.000 1.154 1003 T N -1.214 113.517 114.554 0.294 0.000 2.889 1003 T HA 0.523 4.871 4.350 -0.004 0.000 0.315 1003 T C -1.486 173.401 174.700 0.312 0.000 1.291 1003 T CA -0.730 61.571 62.100 0.335 0.000 1.028 1003 T CB 0.977 70.127 68.868 0.471 0.000 1.235 1003 T HN 0.615 nan 8.240 nan 0.000 0.491 1004 K N 2.149 122.729 120.400 0.301 0.000 2.422 1004 K HA 0.770 5.087 4.320 -0.004 0.000 0.251 1004 K C -1.898 174.913 176.600 0.351 0.000 0.933 1004 K CA -0.867 55.584 56.287 0.274 0.000 0.798 1004 K CB 1.961 34.643 32.500 0.303 0.000 1.238 1004 K HN 0.417 nan 8.250 nan 0.000 0.428 1005 F N 1.511 121.514 119.950 0.088 0.000 2.579 1005 F HA 0.426 4.951 4.527 -0.004 0.000 0.325 1005 F C -0.025 175.709 175.800 -0.109 0.000 1.162 1005 F CA -0.298 57.762 58.000 0.099 0.000 0.946 1005 F CB 1.933 40.906 39.000 -0.045 0.000 1.211 1005 F HN 0.846 nan 8.300 nan 0.000 0.447 1006 G N 6.531 114.925 108.800 -0.677 0.000 2.340 1006 G HA2 0.322 4.280 3.960 -0.004 0.000 0.245 1006 G HA3 0.322 4.280 3.960 -0.004 0.000 0.245 1006 G C -0.470 173.700 174.900 -1.217 0.000 1.294 1006 G CA -0.414 43.590 45.100 -1.828 0.000 0.896 1006 G HN 0.503 nan 8.290 nan 0.000 0.522 1007 I N 1.697 121.723 120.570 -0.907 0.000 2.297 1007 I HA 0.471 4.639 4.170 -0.004 0.000 0.291 1007 I C 0.348 176.300 176.117 -0.276 0.000 1.033 1007 I CA 0.019 60.975 61.300 -0.574 0.000 1.253 1007 I CB -0.067 37.341 38.000 -0.987 0.000 1.396 1007 I HN 0.445 nan 8.210 nan 0.000 0.476 1008 S N 4.654 120.278 115.700 -0.127 0.000 2.884 1008 S HA 0.152 4.619 4.470 -0.004 0.000 0.258 1008 S C -0.688 173.896 174.600 -0.026 0.000 0.705 1008 S CA -0.927 57.251 58.200 -0.038 0.000 0.984 1008 S CB 0.083 63.296 63.200 0.022 0.000 1.233 1008 S HN 0.291 nan 8.310 nan 0.000 0.542 1009 F N 2.201 122.109 119.950 -0.070 0.000 2.563 1009 F HA 0.175 4.700 4.527 -0.003 0.000 0.363 1009 F C 2.318 178.076 175.800 -0.071 0.000 1.123 1009 F CA 0.755 58.705 58.000 -0.084 0.000 1.307 1009 F CB 0.546 39.466 39.000 -0.133 0.000 1.115 1009 F HN 0.774 nan 8.300 nan 0.000 0.592 1010 T N -1.316 113.355 114.554 0.195 0.000 3.085 1010 T HA 0.035 4.383 4.350 -0.004 0.000 0.263 1010 T C 0.464 175.230 174.700 0.110 0.000 1.127 1010 T CA 0.213 62.391 62.100 0.131 0.000 1.103 1010 T CB -0.438 68.626 68.868 0.327 0.000 0.921 1010 T HN 0.197 nan 8.240 nan 0.000 0.510 1011 V N 4.051 124.000 119.914 0.059 0.000 2.353 1011 V HA 0.242 4.359 4.120 -0.004 0.000 0.264 1011 V C -1.299 174.655 176.094 -0.234 0.000 1.049 1011 V CA -1.687 60.518 62.300 -0.157 0.000 0.896 1011 V CB 1.297 32.906 31.823 -0.355 0.000 1.025 1011 V HN 0.195 nan 8.190 nan 0.000 0.475 1012 P HA -0.190 nan 4.420 nan 0.000 0.216 1012 P C 1.592 178.852 177.300 -0.067 0.000 1.150 1012 P CA 1.314 64.370 63.100 -0.074 0.000 0.843 1012 P CB -0.018 31.676 31.700 -0.011 0.000 0.787 1013 F N -0.905 119.013 119.950 -0.052 0.000 2.451 1013 F HA -0.029 4.497 4.527 -0.003 0.000 0.299 1013 F C 1.525 177.228 175.800 -0.161 0.000 1.101 1013 F CA 0.818 58.769 58.000 -0.082 0.000 1.436 1013 F CB -1.838 37.130 39.000 -0.053 0.000 1.074 1013 F HN -0.183 nan 8.300 nan 0.000 0.553 1014 L N 0.608 121.652 121.223 -0.298 0.000 2.478 1014 L HA -0.017 4.321 4.340 -0.004 0.000 0.223 1014 L C 0.738 177.326 176.870 -0.470 0.000 1.140 1014 L CA 0.408 54.923 54.840 -0.541 0.000 0.842 1014 L CB -0.731 40.531 42.059 -1.329 0.000 0.953 1014 L HN 0.152 nan 8.230 nan 0.000 0.452 1015 N N 2.186 120.769 118.700 -0.195 0.000 3.331 1015 N HA 0.064 4.801 4.740 -0.004 0.000 0.303 1015 N C -0.425 174.972 175.510 -0.189 0.000 1.326 1015 N CA 0.098 53.095 53.050 -0.089 0.000 1.207 1015 N CB 0.349 38.807 38.487 -0.049 0.000 1.477 1015 N HN 0.519 nan 8.380 nan 0.000 0.541 1016 Q N -0.789 118.885 119.800 -0.210 0.000 2.397 1016 Q HA 0.828 5.166 4.340 -0.004 0.000 0.275 1016 Q C -1.718 174.085 176.000 -0.328 0.000 1.090 1016 Q CA -1.241 54.355 55.803 -0.344 0.000 0.809 1016 Q CB 2.467 31.116 28.738 -0.148 0.000 1.362 1016 Q HN 0.054 nan 8.270 nan 0.000 0.431 1017 A N 0.887 123.400 122.820 -0.511 0.000 2.517 1017 A HA 0.860 5.177 4.320 -0.004 0.000 0.297 1017 A C -0.847 176.709 177.584 -0.046 0.000 1.050 1017 A CA -0.149 51.774 52.037 -0.190 0.000 0.694 1017 A CB 1.893 20.665 19.000 -0.381 0.000 1.277 1017 A HN 0.911 nan 8.150 nan 0.000 0.400 1018 G N -0.242 108.757 108.800 0.333 0.000 2.498 1018 G HA2 0.891 4.848 3.960 -0.004 0.000 0.312 1018 G HA3 0.891 4.848 3.960 -0.004 0.000 0.312 1018 G C -0.484 174.610 174.900 0.324 0.000 1.230 1018 G CA -0.013 45.332 45.100 0.409 0.000 0.968 1018 G HN 1.862 nan 8.290 nan 0.000 0.481 1019 A N -0.275 122.689 122.820 0.240 0.000 2.527 1019 A HA 0.848 5.165 4.320 -0.004 0.000 0.293 1019 A C -1.813 175.819 177.584 0.079 0.000 1.117 1019 A CA -0.638 51.496 52.037 0.162 0.000 0.723 1019 A CB 2.164 21.256 19.000 0.153 0.000 1.313 1019 A HN 1.450 nan 8.150 nan 0.000 0.411 1020 L N 1.145 122.365 121.223 -0.005 0.000 2.470 1020 L HA 0.756 5.093 4.340 -0.004 0.000 0.268 1020 L C -1.549 175.183 176.870 -0.231 0.000 0.964 1020 L CA -0.113 54.664 54.840 -0.105 0.000 0.839 1020 L CB 1.445 43.425 42.059 -0.130 0.000 1.276 1020 L HN 0.632 nan 8.230 nan 0.000 0.403 1021 I N 4.263 124.684 120.570 -0.247 0.000 2.545 1021 I HA 0.469 4.637 4.170 -0.004 0.000 0.292 1021 I C -1.075 174.870 176.117 -0.286 0.000 1.040 1021 I CA -0.807 60.343 61.300 -0.252 0.000 1.068 1021 I CB 1.969 39.927 38.000 -0.071 0.000 1.251 1021 I HN 0.546 nan 8.210 nan 0.000 0.424 1022 H N 4.722 123.730 119.070 -0.103 0.000 2.589 1022 H HA 0.481 5.035 4.556 -0.004 0.000 0.351 1022 H C -0.935 174.193 175.328 -0.333 0.000 1.074 1022 H CA -0.712 55.180 56.048 -0.260 0.000 1.203 1022 H CB 2.602 32.093 29.762 -0.452 0.000 1.558 1022 H HN 0.164 nan 8.280 nan 0.000 0.522 1023 V N 4.633 124.451 119.914 -0.160 0.000 2.370 1023 V HA 0.210 4.328 4.120 -0.004 0.000 0.283 1023 V C -0.171 175.756 176.094 -0.279 0.000 1.023 1023 V CA -0.746 61.484 62.300 -0.116 0.000 0.857 1023 V CB 0.203 32.066 31.823 0.067 0.000 0.985 1023 V HN 0.589 nan 8.190 nan 0.000 0.443 1024 Y N 1.937 122.278 120.300 0.068 0.000 2.289 1024 Y HA 0.195 4.743 4.550 -0.005 0.000 0.332 1024 Y C 2.078 177.933 175.900 -0.075 0.000 1.324 1024 Y CA 0.167 58.254 58.100 -0.021 0.000 1.478 1024 Y CB 0.689 39.139 38.460 -0.016 0.000 1.378 1024 Y HN 0.721 nan 8.280 nan 0.000 0.558 1025 T N -3.570 111.001 114.554 0.029 0.000 3.113 1025 T HA -0.111 4.237 4.350 -0.004 0.000 0.256 1025 T C 0.770 175.432 174.700 -0.063 0.000 1.131 1025 T CA 0.817 62.848 62.100 -0.115 0.000 1.074 1025 T CB -0.296 68.397 68.868 -0.292 0.000 0.944 1025 T HN 0.740 nan 8.240 nan 0.000 0.516 1026 D N 0.906 121.311 120.400 0.008 0.000 2.328 1026 D HA 0.178 4.815 4.640 -0.004 0.000 0.226 1026 D C 1.672 178.015 176.300 0.071 0.000 1.066 1026 D CA 0.502 54.513 54.000 0.018 0.000 0.861 1026 D CB -0.687 40.123 40.800 0.018 0.000 0.912 1026 D HN 0.531 nan 8.370 nan 0.000 0.521 1027 G N 0.752 109.601 108.800 0.081 0.000 2.184 1027 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.264 1027 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.264 1027 G C 0.421 175.600 174.900 0.465 0.000 0.975 1027 G CA 0.602 45.828 45.100 0.211 0.000 0.642 1027 G HN 0.862 nan 8.290 nan 0.000 0.536 1028 S N -0.457 115.422 115.700 0.298 0.000 2.562 1028 S HA 0.585 5.053 4.470 -0.004 0.000 0.281 1028 S C 0.180 174.970 174.600 0.317 0.000 1.333 1028 S CA 0.020 58.386 58.200 0.278 0.000 1.052 1028 S CB 2.160 65.485 63.200 0.208 0.000 0.884 1028 S HN 1.106 nan 8.310 nan 0.000 0.506 1029 V N 3.924 123.991 119.914 0.254 0.000 2.459 1029 V HA 0.511 4.629 4.120 -0.004 0.000 0.295 1029 V C -0.323 175.895 176.094 0.205 0.000 1.029 1029 V CA -0.888 61.528 62.300 0.193 0.000 0.874 1029 V CB 1.276 33.189 31.823 0.149 0.000 0.985 1029 V HN 0.884 nan 8.190 nan 0.000 0.438 1030 L N 6.102 127.430 121.223 0.174 0.000 2.298 1030 L HA 0.653 4.991 4.340 -0.004 0.000 0.284 1030 L C -0.427 176.462 176.870 0.032 0.000 1.013 1030 L CA 0.100 55.058 54.840 0.196 0.000 0.824 1030 L CB 1.602 43.886 42.059 0.376 0.000 1.221 1030 L HN 0.469 nan 8.230 nan 0.000 0.418 1031 V N 3.772 123.690 119.914 0.005 0.000 2.472 1031 V HA 0.711 4.828 4.120 -0.004 0.000 0.290 1031 V C -0.028 176.012 176.094 -0.091 0.000 1.037 1031 V CA -0.433 61.841 62.300 -0.043 0.000 0.908 1031 V CB 1.599 33.420 31.823 -0.003 0.000 0.985 1031 V HN 0.827 nan 8.190 nan 0.000 0.454 1032 S N 4.036 119.676 115.700 -0.099 0.000 2.571 1032 S HA 0.685 5.153 4.470 -0.004 0.000 0.284 1032 S C -0.980 173.572 174.600 -0.081 0.000 1.128 1032 S CA -0.667 57.438 58.200 -0.157 0.000 0.970 1032 S CB 0.884 64.001 63.200 -0.138 0.000 1.039 1032 S HN 1.058 nan 8.310 nan 0.000 0.485 1033 H N 1.242 120.225 119.070 -0.145 0.000 2.977 1033 H HA 0.480 5.034 4.556 -0.004 0.000 0.350 1033 H C 0.992 176.153 175.328 -0.278 0.000 1.238 1033 H CA -0.448 55.511 56.048 -0.148 0.000 1.124 1033 H CB 1.074 30.754 29.762 -0.136 0.000 1.866 1033 H HN 0.683 nan 8.280 nan 0.000 0.550 1034 G N 0.255 108.921 108.800 -0.223 0.000 2.479 1034 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.220 1034 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.220 1034 G C 0.744 175.325 174.900 -0.533 0.000 1.115 1034 G CA 0.547 45.497 45.100 -0.250 0.000 0.757 1034 G HN 0.822 nan 8.290 nan 0.000 0.560 1035 G N -0.399 107.779 108.800 -1.036 0.000 2.448 1035 G HA2 0.476 4.433 3.960 -0.004 0.000 0.285 1035 G HA3 0.476 4.433 3.960 -0.004 0.000 0.285 1035 G C -0.032 174.756 174.900 -0.187 0.000 1.176 1035 G CA 0.349 45.122 45.100 -0.545 0.000 0.852 1035 G HN 0.403 nan 8.290 nan 0.000 0.530 1036 T N -1.408 113.097 114.554 -0.081 0.000 2.888 1036 T HA 0.544 4.892 4.350 -0.004 0.000 0.284 1036 T C -0.357 174.228 174.700 -0.191 0.000 1.017 1036 T CA -0.803 61.236 62.100 -0.103 0.000 1.022 1036 T CB 2.248 71.067 68.868 -0.081 0.000 1.013 1036 T HN 0.446 nan 8.240 nan 0.000 0.465 1037 E N 2.440 122.438 120.200 -0.336 0.000 2.194 1037 E HA 0.353 4.700 4.350 -0.004 0.000 0.284 1037 E C 0.369 176.876 176.600 -0.156 0.000 1.035 1037 E CA -0.527 55.657 56.400 -0.360 0.000 0.836 1037 E CB 0.471 29.843 29.700 -0.546 0.000 1.070 1037 E HN 0.758 nan 8.360 nan 0.000 0.401 1038 M N 2.624 122.151 119.600 -0.121 0.000 2.603 1038 M HA 0.478 4.955 4.480 -0.004 0.000 0.380 1038 M C 0.743 176.983 176.300 -0.101 0.000 1.158 1038 M CA 0.043 55.268 55.300 -0.125 0.000 0.921 1038 M CB 0.618 33.091 32.600 -0.212 0.000 1.417 1038 M HN 0.583 nan 8.290 nan 0.000 0.523 1039 G N 1.761 110.559 108.800 -0.004 0.000 2.184 1039 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.206 1039 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.206 1039 G C 0.716 175.671 174.900 0.092 0.000 0.995 1039 G CA 0.414 45.531 45.100 0.030 0.000 0.651 1039 G HN 0.650 nan 8.290 nan 0.000 0.511 1040 Q N 1.307 121.147 119.800 0.066 0.000 2.403 1040 Q HA 0.349 4.686 4.340 -0.004 0.000 0.203 1040 Q C 1.514 177.568 176.000 0.090 0.000 0.932 1040 Q CA 1.159 57.005 55.803 0.072 0.000 0.945 1040 Q CB -0.251 28.504 28.738 0.028 0.000 1.045 1040 Q HN 1.882 nan 8.270 nan 0.000 0.511 1041 G N 2.179 111.050 108.800 0.118 0.000 2.221 1041 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.265 1041 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.265 1041 G C 0.392 175.242 174.900 -0.084 0.000 1.041 1041 G CA 0.453 45.524 45.100 -0.049 0.000 0.807 1041 G HN 0.401 nan 8.290 nan 0.000 0.502 1042 L N 0.133 121.306 121.223 -0.082 0.000 1.989 1042 L HA -0.048 4.289 4.340 -0.004 0.000 0.211 1042 L C 2.600 179.477 176.870 0.011 0.000 1.071 1042 L CA 2.986 57.799 54.840 -0.044 0.000 0.749 1042 L CB -0.598 41.430 42.059 -0.051 0.000 0.890 1042 L HN 0.442 nan 8.230 nan 0.000 0.431 1043 H N -0.999 118.045 119.070 -0.043 0.000 2.387 1043 H HA -0.059 4.494 4.556 -0.004 0.000 0.299 1043 H C 2.143 177.406 175.328 -0.108 0.000 1.090 1043 H CA 1.705 57.729 56.048 -0.040 0.000 1.332 1043 H CB -1.002 28.709 29.762 -0.084 0.000 1.386 1043 H HN 0.373 nan 8.280 nan 0.000 0.516 1044 T N 0.824 115.337 114.554 -0.069 0.000 2.788 1044 T HA -0.111 4.237 4.350 -0.004 0.000 0.268 1044 T C 1.955 176.633 174.700 -0.037 0.000 1.044 1044 T CA 1.396 63.438 62.100 -0.096 0.000 1.139 1044 T CB 0.091 68.850 68.868 -0.183 0.000 0.867 1044 T HN 0.366 nan 8.240 nan 0.000 0.454 1045 K N 0.103 120.488 120.400 -0.025 0.000 2.186 1045 K HA 0.141 4.458 4.320 -0.004 0.000 0.202 1045 K C 2.232 178.832 176.600 -0.000 0.000 1.052 1045 K CA 0.636 56.920 56.287 -0.005 0.000 0.965 1045 K CB -0.046 32.454 32.500 0.001 0.000 0.746 1045 K HN 0.178 nan 8.250 nan 0.000 0.457 1046 M N 0.512 120.097 119.600 -0.025 0.000 2.175 1046 M HA -0.103 4.374 4.480 -0.004 0.000 0.264 1046 M C 2.197 178.495 176.300 -0.003 0.000 1.063 1046 M CA 1.271 56.542 55.300 -0.047 0.000 1.119 1046 M CB -0.800 31.698 32.600 -0.170 0.000 1.377 1046 M HN -0.094 nan 8.290 nan 0.000 0.415 1047 V N 0.511 120.424 119.914 -0.000 0.000 2.343 1047 V HA -0.279 3.839 4.120 -0.004 0.000 0.247 1047 V C 2.467 178.563 176.094 0.003 0.000 1.051 1047 V CA 1.638 63.937 62.300 -0.001 0.000 1.036 1047 V CB -0.662 31.155 31.823 -0.009 0.000 0.654 1047 V HN 0.531 nan 8.190 nan 0.000 0.451 1048 Q N -0.839 118.964 119.800 0.006 0.000 2.079 1048 Q HA -0.151 4.187 4.340 -0.004 0.000 0.200 1048 Q C 2.343 178.366 176.000 0.038 0.000 0.974 1048 Q CA 1.707 57.513 55.803 0.005 0.000 0.840 1048 Q CB -0.285 28.452 28.738 -0.001 0.000 0.898 1048 Q HN 0.537 nan 8.270 nan 0.000 0.430 1049 V N 1.051 121.020 119.914 0.091 0.000 2.295 1049 V HA -0.273 3.845 4.120 -0.004 0.000 0.246 1049 V C 2.288 178.493 176.094 0.186 0.000 1.049 1049 V CA 1.896 64.326 62.300 0.217 0.000 1.024 1049 V CB -0.963 30.981 31.823 0.202 0.000 0.648 1049 V HN 0.396 nan 8.190 nan 0.000 0.447 1050 A N -0.352 122.524 122.820 0.093 0.000 1.902 1050 A HA -0.234 4.083 4.320 -0.004 0.000 0.217 1050 A C 2.581 180.173 177.584 0.013 0.000 1.181 1050 A CA 2.210 54.280 52.037 0.055 0.000 0.623 1050 A CB -0.823 18.192 19.000 0.025 0.000 0.818 1050 A HN 0.540 nan 8.150 nan 0.000 0.443 1051 S N -0.363 115.330 115.700 -0.012 0.000 2.383 1051 S HA -0.234 4.234 4.470 -0.004 0.000 0.229 1051 S C 2.097 176.668 174.600 -0.048 0.000 1.030 1051 S CA 1.999 60.162 58.200 -0.062 0.000 1.002 1051 S CB -0.310 62.855 63.200 -0.059 0.000 0.829 1051 S HN 0.630 nan 8.310 nan 0.000 0.467 1052 K N 0.468 120.866 120.400 -0.003 0.000 2.007 1052 K HA 0.088 4.406 4.320 -0.004 0.000 0.206 1052 K C 2.343 178.982 176.600 0.065 0.000 1.047 1052 K CA 1.036 57.314 56.287 -0.015 0.000 0.937 1052 K CB -0.663 31.767 32.500 -0.116 0.000 0.718 1052 K HN 0.387 nan 8.250 nan 0.000 0.438 1053 A N 1.311 124.234 122.820 0.172 0.000 1.908 1053 A HA -0.141 4.177 4.320 -0.004 0.000 0.218 1053 A C 2.049 179.659 177.584 0.043 0.000 1.181 1053 A CA 1.477 53.617 52.037 0.172 0.000 0.627 1053 A CB -0.567 18.524 19.000 0.152 0.000 0.818 1053 A HN 0.361 nan 8.150 nan 0.000 0.445 1054 L N -2.187 119.031 121.223 -0.008 0.000 2.446 1054 L HA 0.066 4.404 4.340 -0.004 0.000 0.219 1054 L C 0.426 177.246 176.870 -0.085 0.000 1.116 1054 L CA 0.501 55.307 54.840 -0.058 0.000 0.844 1054 L CB -0.073 41.878 42.059 -0.180 0.000 0.970 1054 L HN 0.349 nan 8.230 nan 0.000 0.457 1055 K N 0.909 121.269 120.400 -0.067 0.000 3.167 1055 K HA -0.171 4.146 4.320 -0.004 0.000 0.272 1055 K C -0.412 176.111 176.600 -0.129 0.000 1.137 1055 K CA 0.618 56.876 56.287 -0.048 0.000 0.800 1055 K CB -1.896 30.627 32.500 0.038 0.000 1.253 1055 K HN 0.495 nan 8.250 nan 0.000 0.497 1056 I N -3.836 116.587 120.570 -0.244 0.000 2.892 1056 I HA 0.657 4.824 4.170 -0.004 0.000 0.306 1056 I C -2.495 173.495 176.117 -0.212 0.000 1.078 1056 I CA -3.095 58.002 61.300 -0.338 0.000 1.032 1056 I CB 2.024 39.557 38.000 -0.779 0.000 1.229 1056 I HN -0.279 nan 8.210 nan 0.000 0.435 1057 P HA 0.126 nan 4.420 nan 0.000 0.269 1057 P C 1.014 178.259 177.300 -0.091 0.000 1.209 1057 P CA -0.102 62.937 63.100 -0.102 0.000 0.776 1057 P CB 0.785 32.442 31.700 -0.073 0.000 0.876 1058 I N 0.671 121.207 120.570 -0.055 0.000 2.423 1058 I HA -0.234 3.934 4.170 -0.004 0.000 0.254 1058 I C 1.775 177.888 176.117 -0.007 0.000 1.151 1058 I CA 1.968 63.250 61.300 -0.031 0.000 1.421 1058 I CB -1.202 36.789 38.000 -0.016 0.000 1.079 1058 I HN 0.255 nan 8.210 nan 0.000 0.431 1059 S N 0.549 116.243 115.700 -0.009 0.000 2.595 1059 S HA -0.047 4.421 4.470 -0.004 0.000 0.235 1059 S C 1.682 176.291 174.600 0.016 0.000 0.974 1059 S CA 0.632 58.839 58.200 0.010 0.000 0.942 1059 S CB -0.494 62.707 63.200 0.002 0.000 0.766 1059 S HN 0.625 nan 8.310 nan 0.000 0.536 1060 K N 0.030 120.428 120.400 -0.003 0.000 2.353 1060 K HA 0.405 4.722 4.320 -0.004 0.000 0.195 1060 K C -0.163 176.475 176.600 0.062 0.000 1.031 1060 K CA 0.092 56.389 56.287 0.016 0.000 1.079 1060 K CB 0.353 32.822 32.500 -0.053 0.000 0.857 1060 K HN 0.446 nan 8.250 nan 0.000 0.535 1061 I N 0.637 121.243 120.570 0.061 0.000 2.441 1061 I HA 0.275 4.442 4.170 -0.004 0.000 0.295 1061 I C -1.089 175.132 176.117 0.173 0.000 0.994 1061 I CA -1.185 60.169 61.300 0.090 0.000 1.144 1061 I CB 1.292 39.307 38.000 0.025 0.000 1.314 1061 I HN -0.120 nan 8.210 nan 0.000 0.445 1062 Y N 6.210 126.522 120.300 0.020 0.000 2.534 1062 Y HA 0.659 5.206 4.550 -0.004 0.000 0.345 1062 Y C -1.369 174.519 175.900 -0.019 0.000 1.031 1062 Y CA -0.993 57.111 58.100 0.006 0.000 1.022 1062 Y CB 1.784 40.259 38.460 0.024 0.000 1.292 1062 Y HN 0.328 nan 8.280 nan 0.000 0.459 1063 I N 3.979 124.167 120.570 -0.637 0.000 2.447 1063 I HA 0.257 4.424 4.170 -0.004 0.000 0.287 1063 I C 0.257 175.861 176.117 -0.854 0.000 1.023 1063 I CA -0.429 60.524 61.300 -0.579 0.000 1.083 1063 I CB 2.181 39.815 38.000 -0.611 0.000 1.245 1063 I HN 0.679 nan 8.210 nan 0.000 0.434 1064 S N 4.820 120.238 115.700 -0.470 0.000 2.427 1064 S HA 0.133 4.601 4.470 -0.004 0.000 0.224 1064 S C 0.312 174.799 174.600 -0.188 0.000 1.047 1064 S CA 0.801 58.855 58.200 -0.243 0.000 0.953 1064 S CB 0.259 63.497 63.200 0.063 0.000 0.824 1064 S HN 0.850 nan 8.310 nan 0.000 0.502 1065 E N -1.457 118.610 120.200 -0.222 0.000 2.395 1065 E HA 0.221 4.569 4.350 -0.004 0.000 0.273 1065 E C -1.741 174.748 176.600 -0.184 0.000 1.206 1065 E CA -0.934 55.385 56.400 -0.135 0.000 0.899 1065 E CB 0.287 29.968 29.700 -0.032 0.000 1.405 1065 E HN -0.003 nan 8.360 nan 0.000 0.418 1066 T N 1.157 115.637 114.554 -0.124 0.000 2.797 1066 T HA 0.698 5.046 4.350 -0.004 0.000 0.279 1066 T C -0.869 173.766 174.700 -0.109 0.000 0.991 1066 T CA -0.327 61.672 62.100 -0.168 0.000 0.979 1066 T CB 1.225 70.000 68.868 -0.155 0.000 0.943 1066 T HN 0.612 nan 8.240 nan 0.000 0.444 1067 S N 0.085 115.722 115.700 -0.105 0.000 2.570 1067 S HA 0.427 4.894 4.470 -0.004 0.000 0.270 1067 S C 1.066 175.625 174.600 -0.068 0.000 1.149 1067 S CA -0.694 57.457 58.200 -0.082 0.000 0.837 1067 S CB 1.255 64.415 63.200 -0.068 0.000 1.124 1067 S HN 0.729 nan 8.310 nan 0.000 0.465 1068 T N -1.069 113.444 114.554 -0.068 0.000 3.035 1068 T HA -0.095 4.252 4.350 -0.004 0.000 0.268 1068 T C 1.205 175.883 174.700 -0.037 0.000 1.109 1068 T CA 1.372 63.440 62.100 -0.053 0.000 1.119 1068 T CB -0.741 68.089 68.868 -0.063 0.000 0.900 1068 T HN 0.727 nan 8.240 nan 0.000 0.503 1069 N N 1.604 120.283 118.700 -0.035 0.000 2.373 1069 N HA -0.030 4.707 4.740 -0.004 0.000 0.181 1069 N C 1.590 177.103 175.510 0.005 0.000 1.082 1069 N CA 1.117 54.157 53.050 -0.016 0.000 0.885 1069 N CB -0.503 37.975 38.487 -0.017 0.000 0.977 1069 N HN 0.639 nan 8.380 nan 0.000 0.462 1070 T N -2.387 112.166 114.554 -0.000 0.000 2.988 1070 T HA 0.226 4.573 4.350 -0.004 0.000 0.240 1070 T C 0.560 175.264 174.700 0.007 0.000 1.014 1070 T CA 0.214 62.322 62.100 0.013 0.000 1.155 1070 T CB -0.393 68.476 68.868 0.003 0.000 0.872 1070 T HN -0.108 nan 8.240 nan 0.000 0.440 1071 V N 4.830 124.741 119.914 -0.006 0.000 2.349 1071 V HA 0.486 4.604 4.120 -0.004 0.000 0.284 1071 V C -2.436 173.670 176.094 0.021 0.000 1.014 1071 V CA -2.053 60.261 62.300 0.024 0.000 0.826 1071 V CB 1.506 33.349 31.823 0.034 0.000 1.009 1071 V HN 0.401 nan 8.190 nan 0.000 0.431 1072 P HA 0.342 nan 4.420 nan 0.000 0.278 1072 P C -0.097 177.222 177.300 0.033 0.000 1.266 1072 P CA -0.294 62.813 63.100 0.011 0.000 0.807 1072 P CB 0.547 32.245 31.700 -0.003 0.000 1.094 1073 N N -2.282 116.422 118.700 0.007 0.000 2.725 1073 N HA -0.140 4.597 4.740 -0.004 0.000 0.249 1073 N C -0.060 175.481 175.510 0.051 0.000 1.103 1073 N CA 1.089 54.145 53.050 0.010 0.000 0.707 1073 N CB -2.335 36.154 38.487 0.004 0.000 1.043 1073 N HN 0.648 nan 8.380 nan 0.000 0.553 1074 S N -1.561 114.174 115.700 0.059 0.000 2.576 1074 S HA 0.429 4.896 4.470 -0.004 0.000 0.276 1074 S C 0.698 175.334 174.600 0.061 0.000 1.339 1074 S CA -0.555 57.708 58.200 0.106 0.000 1.039 1074 S CB 1.607 64.874 63.200 0.111 0.000 0.902 1074 S HN 0.186 nan 8.310 nan 0.000 0.516 1075 S N 3.801 119.539 115.700 0.063 0.000 2.593 1075 S HA 0.352 4.819 4.470 -0.004 0.000 0.269 1075 S C -2.013 172.639 174.600 0.086 0.000 1.334 1075 S CA -0.842 57.335 58.200 -0.038 0.000 1.015 1075 S CB -0.035 63.030 63.200 -0.225 0.000 0.912 1075 S HN 0.733 nan 8.310 nan 0.000 0.541 1076 P HA 0.069 nan 4.420 nan 0.000 0.270 1076 P C -0.752 176.724 177.300 0.293 0.000 1.223 1076 P CA -0.199 62.996 63.100 0.159 0.000 0.785 1076 P CB 0.059 31.849 31.700 0.150 0.000 0.923 1077 T N 1.373 116.053 114.554 0.210 0.000 2.776 1077 T HA 0.527 4.875 4.350 -0.004 0.000 0.292 1077 T C 0.209 174.988 174.700 0.131 0.000 0.921 1077 T CA 0.219 62.452 62.100 0.222 0.000 1.038 1077 T CB -0.454 68.493 68.868 0.131 0.000 0.910 1077 T HN 0.639 nan 8.240 nan 0.000 0.536 1078 A N 2.223 125.105 122.820 0.103 0.000 2.511 1078 A HA 0.818 5.136 4.320 -0.004 0.000 0.293 1078 A C 0.580 177.890 177.584 -0.458 0.000 1.098 1078 A CA -0.308 51.679 52.037 -0.084 0.000 0.643 1078 A CB -0.049 18.970 19.000 0.032 0.000 1.302 1078 A HN 1.538 nan 8.150 nan 0.000 0.446 1079 A N -0.836 121.617 122.820 -0.613 0.000 2.799 1079 A HA 0.011 4.329 4.320 -0.004 0.000 0.274 1079 A C 1.427 178.799 177.584 -0.354 0.000 1.393 1079 A CA 2.140 53.764 52.037 -0.687 0.000 0.909 1079 A CB -2.222 15.944 19.000 -1.389 0.000 1.012 1079 A HN 2.574 nan 8.150 nan 0.000 0.653 1080 S N -4.979 110.596 115.700 -0.208 0.000 2.769 1080 S HA -0.338 4.129 4.470 -0.004 0.000 0.264 1080 S C 1.133 175.689 174.600 -0.074 0.000 1.288 1080 S CA 1.983 60.126 58.200 -0.096 0.000 1.378 1080 S CB -2.078 61.086 63.200 -0.059 0.000 1.702 1080 S HN 2.278 nan 8.310 nan 0.000 0.656 1081 V N -0.841 118.996 119.914 -0.128 0.000 3.646 1081 V HA 0.272 4.390 4.120 -0.004 0.000 0.277 1081 V C 1.632 177.706 176.094 -0.033 0.000 1.274 1081 V CA 1.215 63.473 62.300 -0.070 0.000 1.164 1081 V CB 0.109 31.880 31.823 -0.087 0.000 0.926 1081 V HN 0.391 nan 8.190 nan 0.000 0.442 1082 S N 1.548 117.264 115.700 0.027 0.000 2.368 1082 S HA -0.175 4.292 4.470 -0.004 0.000 0.225 1082 S C 1.993 176.669 174.600 0.127 0.000 1.030 1082 S CA 2.200 60.488 58.200 0.147 0.000 0.999 1082 S CB -0.485 62.901 63.200 0.310 0.000 0.844 1082 S HN 0.766 nan 8.310 nan 0.000 0.459 1083 T N 2.092 116.687 114.554 0.068 0.000 2.821 1083 T HA -0.075 4.272 4.350 -0.004 0.000 0.267 1083 T C 1.354 176.035 174.700 -0.031 0.000 1.046 1083 T CA 1.310 63.427 62.100 0.028 0.000 1.139 1083 T CB -0.467 68.418 68.868 0.028 0.000 0.871 1083 T HN 0.293 nan 8.240 nan 0.000 0.454 1084 D N 1.461 121.842 120.400 -0.032 0.000 2.087 1084 D HA -0.067 4.570 4.640 -0.004 0.000 0.192 1084 D C 2.148 178.330 176.300 -0.197 0.000 0.993 1084 D CA 1.166 55.125 54.000 -0.069 0.000 0.828 1084 D CB -0.367 40.457 40.800 0.039 0.000 0.968 1084 D HN 0.540 nan 8.370 nan 0.000 0.448 1085 I N -2.818 117.632 120.570 -0.199 0.000 2.585 1085 I HA -0.066 4.102 4.170 -0.004 0.000 0.254 1085 I C 1.859 177.788 176.117 -0.314 0.000 1.129 1085 I CA 0.707 61.863 61.300 -0.241 0.000 1.455 1085 I CB -0.552 37.333 38.000 -0.192 0.000 1.111 1085 I HN -0.046 nan 8.210 nan 0.000 0.433 1086 Y N 2.321 122.593 120.300 -0.047 0.000 2.263 1086 Y HA 0.088 4.635 4.550 -0.004 0.000 0.292 1086 Y C 2.825 178.645 175.900 -0.135 0.000 1.130 1086 Y CA 0.964 59.018 58.100 -0.076 0.000 1.179 1086 Y CB -0.432 37.953 38.460 -0.126 0.000 0.998 1086 Y HN 0.219 nan 8.280 nan 0.000 0.532 1087 G N -0.689 108.077 108.800 -0.055 0.000 2.422 1087 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.218 1087 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.218 1087 G C 1.441 176.254 174.900 -0.145 0.000 1.140 1087 G CA 0.693 45.739 45.100 -0.090 0.000 0.775 1087 G HN 0.273 nan 8.290 nan 0.000 0.545 1088 Q N 0.187 119.821 119.800 -0.276 0.000 2.096 1088 Q HA 0.268 4.606 4.340 -0.004 0.000 0.197 1088 Q C 2.788 178.740 176.000 -0.080 0.000 0.964 1088 Q CA 1.419 57.005 55.803 -0.361 0.000 0.838 1088 Q CB -0.353 27.772 28.738 -1.022 0.000 0.906 1088 Q HN 0.360 nan 8.270 nan 0.000 0.444 1089 A N -0.560 122.254 122.820 -0.011 0.000 1.877 1089 A HA -0.158 4.159 4.320 -0.004 0.000 0.216 1089 A C 2.228 179.882 177.584 0.116 0.000 1.186 1089 A CA 1.675 53.779 52.037 0.111 0.000 0.620 1089 A CB -0.951 18.152 19.000 0.171 0.000 0.822 1089 A HN 0.260 nan 8.150 nan 0.000 0.443 1090 V N -1.356 118.614 119.914 0.094 0.000 2.332 1090 V HA -0.300 3.818 4.120 -0.004 0.000 0.248 1090 V C 2.351 178.492 176.094 0.079 0.000 1.055 1090 V CA 2.230 64.575 62.300 0.076 0.000 1.038 1090 V CB -0.999 30.850 31.823 0.043 0.000 0.651 1090 V HN 0.728 nan 8.190 nan 0.000 0.450 1091 Y N 1.114 121.387 120.300 -0.044 0.000 2.145 1091 Y HA -0.225 4.323 4.550 -0.004 0.000 0.286 1091 Y C 2.633 178.524 175.900 -0.014 0.000 1.145 1091 Y CA 2.025 60.094 58.100 -0.053 0.000 1.148 1091 Y CB -0.141 38.220 38.460 -0.165 0.000 0.981 1091 Y HN 0.217 nan 8.280 nan 0.000 0.507 1092 E N 0.556 120.798 120.200 0.070 0.000 2.049 1092 E HA -0.265 4.082 4.350 -0.004 0.000 0.198 1092 E C 2.423 179.003 176.600 -0.033 0.000 1.007 1092 E CA 1.445 57.857 56.400 0.020 0.000 0.809 1092 E CB -0.990 28.788 29.700 0.130 0.000 0.749 1092 E HN 0.585 nan 8.360 nan 0.000 0.450 1093 A N 0.512 123.339 122.820 0.012 0.000 1.972 1093 A HA -0.175 4.143 4.320 -0.004 0.000 0.219 1093 A C 2.639 180.212 177.584 -0.018 0.000 1.169 1093 A CA 1.410 53.455 52.037 0.012 0.000 0.635 1093 A CB -0.815 18.205 19.000 0.033 0.000 0.810 1093 A HN 0.353 nan 8.150 nan 0.000 0.446 1094 C N -0.900 118.367 119.300 -0.056 0.000 2.446 1094 C HA -0.083 4.374 4.460 -0.004 0.000 0.277 1094 C C 2.843 177.772 174.990 -0.102 0.000 1.275 1094 C CA 1.042 60.024 59.018 -0.060 0.000 1.727 1094 C CB -0.971 26.720 27.740 -0.082 0.000 2.010 1094 C HN 0.592 nan 8.230 nan 0.000 0.486 1095 Q N 0.364 120.029 119.800 -0.225 0.000 2.124 1095 Q HA -0.138 4.200 4.340 -0.004 0.000 0.202 1095 Q C 2.233 178.192 176.000 -0.068 0.000 0.977 1095 Q CA 1.798 57.484 55.803 -0.194 0.000 0.850 1095 Q CB -1.059 27.511 28.738 -0.280 0.000 0.901 1095 Q HN 0.635 nan 8.270 nan 0.000 0.429 1096 T N 1.505 116.036 114.554 -0.037 0.000 2.746 1096 T HA -0.075 4.272 4.350 -0.004 0.000 0.267 1096 T C 2.007 176.722 174.700 0.024 0.000 1.039 1096 T CA 0.855 62.957 62.100 0.003 0.000 1.142 1096 T CB -0.156 68.722 68.868 0.016 0.000 0.866 1096 T HN 0.187 nan 8.240 nan 0.000 0.444 1097 I N 0.558 121.150 120.570 0.037 0.000 2.202 1097 I HA -0.122 4.046 4.170 -0.004 0.000 0.242 1097 I C 2.292 178.464 176.117 0.092 0.000 1.091 1097 I CA 1.081 62.425 61.300 0.074 0.000 1.368 1097 I CB -0.312 37.758 38.000 0.115 0.000 1.058 1097 I HN 0.202 nan 8.210 nan 0.000 0.410 1098 L N 0.508 121.785 121.223 0.091 0.000 2.013 1098 L HA -0.287 4.050 4.340 -0.004 0.000 0.212 1098 L C 2.546 179.441 176.870 0.041 0.000 1.073 1098 L CA 1.740 56.630 54.840 0.083 0.000 0.753 1098 L CB -0.696 41.394 42.059 0.051 0.000 0.890 1098 L HN 0.237 nan 8.230 nan 0.000 0.432 1099 K N -0.346 120.068 120.400 0.023 0.000 2.152 1099 K HA -0.191 4.127 4.320 -0.004 0.000 0.206 1099 K C 2.221 178.842 176.600 0.034 0.000 1.048 1099 K CA 1.339 57.635 56.287 0.014 0.000 0.933 1099 K CB -0.121 32.385 32.500 0.009 0.000 0.721 1099 K HN 0.297 nan 8.250 nan 0.000 0.447 1100 R N 0.282 120.819 120.500 0.062 0.000 2.127 1100 R HA 0.082 4.419 4.340 -0.004 0.000 0.217 1100 R C 1.924 178.343 176.300 0.199 0.000 1.074 1100 R CA 0.599 56.763 56.100 0.108 0.000 0.991 1100 R CB 0.043 30.393 30.300 0.084 0.000 0.895 1100 R HN 0.125 nan 8.270 nan 0.000 0.450 1101 L N 0.731 122.040 121.223 0.143 0.000 2.599 1101 L HA -0.014 4.323 4.340 -0.004 0.000 0.230 1101 L C 1.974 178.924 176.870 0.132 0.000 1.141 1101 L CA 0.218 55.167 54.840 0.182 0.000 0.877 1101 L CB -0.006 42.096 42.059 0.072 0.000 1.009 1101 L HN 0.143 nan 8.230 nan 0.000 0.447 1102 E N 1.455 121.677 120.200 0.036 0.000 2.015 1102 E HA -0.146 4.201 4.350 -0.004 0.000 0.191 1102 E C -0.634 175.858 176.600 -0.180 0.000 0.991 1102 E CA 1.326 57.668 56.400 -0.096 0.000 0.802 1102 E CB -0.982 28.673 29.700 -0.075 0.000 0.759 1102 E HN 0.136 nan 8.360 nan 0.000 0.447 1103 P HA -0.156 nan 4.420 nan 0.000 0.217 1103 P C 0.705 177.676 177.300 -0.548 0.000 1.148 1103 P CA 1.454 64.275 63.100 -0.464 0.000 0.834 1103 P CB -0.140 31.131 31.700 -0.715 0.000 0.783 1104 F N -0.825 119.045 119.950 -0.134 0.000 2.317 1104 F HA 0.108 4.632 4.527 -0.004 0.000 0.293 1104 F C 2.376 178.041 175.800 -0.225 0.000 1.085 1104 F CA 0.722 58.666 58.000 -0.094 0.000 1.390 1104 F CB -0.742 38.252 39.000 -0.011 0.000 1.077 1104 F HN -0.241 nan 8.300 nan 0.000 0.517 1105 K N 0.965 121.096 120.400 -0.448 0.000 2.103 1105 K HA -0.189 4.129 4.320 -0.004 0.000 0.207 1105 K C 2.045 178.428 176.600 -0.363 0.000 1.048 1105 K CA 1.335 57.048 56.287 -0.955 0.000 0.930 1105 K CB -0.025 31.840 32.500 -1.058 0.000 0.716 1105 K HN 0.185 nan 8.250 nan 0.000 0.444 1106 K N 0.533 120.788 120.400 -0.242 0.000 1.991 1106 K HA -0.104 4.214 4.320 -0.004 0.000 0.207 1106 K C 2.083 178.638 176.600 -0.075 0.000 1.045 1106 K CA 1.268 57.471 56.287 -0.140 0.000 0.937 1106 K CB -0.021 32.390 32.500 -0.148 0.000 0.720 1106 K HN 0.041 nan 8.250 nan 0.000 0.438 1107 K N 0.413 120.764 120.400 -0.082 0.000 2.218 1107 K HA -0.173 4.144 4.320 -0.004 0.000 0.205 1107 K C 0.733 177.369 176.600 0.061 0.000 1.046 1107 K CA 1.160 57.434 56.287 -0.021 0.000 0.933 1107 K CB -0.053 32.428 32.500 -0.031 0.000 0.728 1107 K HN 0.030 nan 8.250 nan 0.000 0.454 1108 N N -0.824 117.947 118.700 0.118 0.000 2.687 1108 N HA 0.158 4.896 4.740 -0.004 0.000 0.275 1108 N C -2.550 173.171 175.510 0.351 0.000 1.789 1108 N CA -1.585 51.605 53.050 0.234 0.000 0.806 1108 N CB 1.051 39.717 38.487 0.298 0.000 1.256 1108 N HN -0.242 nan 8.380 nan 0.000 0.500 1109 P HA -0.094 nan 4.420 nan 0.000 0.217 1109 P C 0.307 177.801 177.300 0.324 0.000 1.148 1109 P CA 1.233 64.463 63.100 0.217 0.000 0.834 1109 P CB 0.328 32.094 31.700 0.111 0.000 0.783 1110 D N -1.638 118.913 120.400 0.251 0.000 2.350 1110 D HA 0.086 4.723 4.640 -0.004 0.000 0.213 1110 D C 1.348 177.731 176.300 0.138 0.000 1.031 1110 D CA 0.366 54.476 54.000 0.183 0.000 0.861 1110 D CB 0.045 40.911 40.800 0.110 0.000 0.926 1110 D HN 0.110 nan 8.370 nan 0.000 0.520 1111 G N 0.559 109.461 108.800 0.170 0.000 2.563 1111 G HA2 0.318 4.275 3.960 -0.004 0.000 0.283 1111 G HA3 0.318 4.275 3.960 -0.004 0.000 0.283 1111 G C 0.312 174.958 174.900 -0.423 0.000 1.309 1111 G CA -0.240 44.817 45.100 -0.072 0.000 1.022 1111 G HN 0.162 nan 8.290 nan 0.000 0.501 1112 S N -1.306 114.050 115.700 -0.574 0.000 2.707 1112 S HA 0.167 4.635 4.470 -0.004 0.000 0.276 1112 S C 1.126 175.076 174.600 -1.083 0.000 1.179 1112 S CA -0.447 57.378 58.200 -0.625 0.000 0.992 1112 S CB 1.108 64.140 63.200 -0.279 0.000 1.030 1112 S HN 0.785 nan 8.310 nan 0.000 0.554 1113 W N 1.514 122.327 121.300 -0.813 0.000 2.317 1113 W HA -0.243 4.415 4.660 -0.004 0.000 0.318 1113 W C 1.363 177.734 176.519 -0.246 0.000 1.227 1113 W CA 2.401 59.486 57.345 -0.433 0.000 1.269 1113 W CB -0.677 28.701 29.460 -0.137 0.000 1.155 1113 W HN 0.865 nan 8.180 nan 0.000 0.484 1114 E N 0.799 120.876 120.200 -0.205 0.000 2.130 1114 E HA -0.250 4.098 4.350 -0.004 0.000 0.196 1114 E C 1.583 178.031 176.600 -0.252 0.000 0.998 1114 E CA 2.228 58.493 56.400 -0.224 0.000 0.806 1114 E CB -0.697 28.958 29.700 -0.074 0.000 0.738 1114 E HN 0.242 nan 8.360 nan 0.000 0.459 1115 D N -0.626 119.601 120.400 -0.289 0.000 2.117 1115 D HA -0.152 4.486 4.640 -0.004 0.000 0.197 1115 D C 1.603 177.831 176.300 -0.121 0.000 0.987 1115 D CA 0.811 54.685 54.000 -0.211 0.000 0.829 1115 D CB -0.296 40.365 40.800 -0.231 0.000 0.961 1115 D HN 0.316 nan 8.370 nan 0.000 0.460 1116 W N 0.998 122.210 121.300 -0.146 0.000 2.388 1116 W HA -0.014 4.643 4.660 -0.004 0.000 0.294 1116 W C 2.263 178.564 176.519 -0.362 0.000 1.212 1116 W CA 0.038 57.279 57.345 -0.172 0.000 1.271 1116 W CB -1.235 28.155 29.460 -0.117 0.000 1.126 1116 W HN -0.122 nan 8.180 nan 0.000 0.535 1117 V N 0.686 120.421 119.914 -0.299 0.000 2.270 1117 V HA -0.320 3.797 4.120 -0.004 0.000 0.245 1117 V C 2.319 178.275 176.094 -0.230 0.000 1.043 1117 V CA 2.154 64.222 62.300 -0.387 0.000 1.014 1117 V CB -0.906 30.575 31.823 -0.569 0.000 0.645 1117 V HN 0.011 nan 8.190 nan 0.000 0.447 1118 M N 0.954 120.455 119.600 -0.164 0.000 2.108 1118 M HA -0.120 4.357 4.480 -0.004 0.000 0.261 1118 M C 2.036 178.303 176.300 -0.054 0.000 1.066 1118 M CA 2.216 57.479 55.300 -0.061 0.000 1.107 1118 M CB -0.857 31.713 32.600 -0.049 0.000 1.356 1118 M HN 0.270 nan 8.290 nan 0.000 0.406 1119 A N -0.536 122.217 122.820 -0.112 0.000 1.940 1119 A HA 0.012 4.330 4.320 -0.004 0.000 0.219 1119 A C 2.324 179.628 177.584 -0.467 0.000 1.176 1119 A CA 2.146 54.099 52.037 -0.140 0.000 0.631 1119 A CB -1.313 17.701 19.000 0.024 0.000 0.814 1119 A HN 0.653 nan 8.150 nan 0.000 0.446 1120 A N -2.017 120.353 122.820 -0.749 0.000 1.975 1120 A HA 0.097 4.415 4.320 -0.004 0.000 0.215 1120 A C 2.056 179.387 177.584 -0.422 0.000 1.170 1120 A CA 1.290 52.668 52.037 -1.099 0.000 0.656 1120 A CB -0.660 17.767 19.000 -0.955 0.000 0.821 1120 A HN 0.658 nan 8.150 nan 0.000 0.449 1121 Y N 1.177 121.288 120.300 -0.316 0.000 2.114 1121 Y HA -0.250 4.297 4.550 -0.005 0.000 0.284 1121 Y C 2.477 178.307 175.900 -0.118 0.000 1.143 1121 Y CA 2.324 60.321 58.100 -0.172 0.000 1.135 1121 Y CB -0.353 38.030 38.460 -0.128 0.000 0.980 1121 Y HN 0.400 nan 8.280 nan 0.000 0.499 1122 Q N -0.685 118.968 119.800 -0.245 0.000 2.291 1122 Q HA -0.207 4.131 4.340 -0.004 0.000 0.206 1122 Q C 0.954 176.829 176.000 -0.208 0.000 0.976 1122 Q CA 1.698 57.351 55.803 -0.251 0.000 0.875 1122 Q CB -0.338 28.362 28.738 -0.064 0.000 0.927 1122 Q HN 0.553 nan 8.270 nan 0.000 0.450 1123 D N 0.087 120.389 120.400 -0.163 0.000 2.325 1123 D HA 0.059 4.697 4.640 -0.004 0.000 0.225 1123 D C -0.427 175.835 176.300 -0.063 0.000 1.096 1123 D CA -0.141 53.838 54.000 -0.035 0.000 0.844 1123 D CB 0.128 41.038 40.800 0.183 0.000 0.925 1123 D HN 0.060 nan 8.370 nan 0.000 0.513 1124 R N -0.851 119.537 120.500 -0.186 0.000 3.416 1124 R HA -0.139 4.199 4.340 -0.004 0.000 0.263 1124 R C -0.761 175.502 176.300 -0.063 0.000 1.053 1124 R CA 0.077 56.083 56.100 -0.157 0.000 0.705 1124 R CB -2.456 27.770 30.300 -0.122 0.000 1.124 1124 R HN 0.052 nan 8.270 nan 0.000 0.444 1125 V N 0.939 120.814 119.914 -0.065 0.000 2.432 1125 V HA 0.143 4.261 4.120 -0.004 0.000 0.275 1125 V C 1.039 177.122 176.094 -0.018 0.000 1.043 1125 V CA -0.262 62.030 62.300 -0.014 0.000 0.925 1125 V CB 1.786 33.610 31.823 0.001 0.000 0.985 1125 V HN 0.354 nan 8.190 nan 0.000 0.466 1126 S N 5.202 120.909 115.700 0.011 0.000 2.498 1126 S HA 0.246 4.714 4.470 -0.004 0.000 0.281 1126 S C 0.353 174.964 174.600 0.019 0.000 1.265 1126 S CA -0.416 57.797 58.200 0.022 0.000 1.071 1126 S CB -0.125 63.092 63.200 0.027 0.000 0.894 1126 S HN 0.585 nan 8.310 nan 0.000 0.491 1127 L N 4.844 126.077 121.223 0.016 0.000 2.928 1127 L HA 0.346 4.683 4.340 -0.004 0.000 0.236 1127 L C 0.472 177.352 176.870 0.017 0.000 1.290 1127 L CA -0.270 54.568 54.840 -0.002 0.000 1.099 1127 L CB 0.019 42.054 42.059 -0.040 0.000 1.437 1127 L HN 0.578 nan 8.230 nan 0.000 0.493 1128 S N -0.680 115.051 115.700 0.052 0.000 2.572 1128 S HA 0.697 5.164 4.470 -0.004 0.000 0.274 1128 S C -0.754 173.896 174.600 0.083 0.000 1.150 1128 S CA -0.345 57.925 58.200 0.116 0.000 0.944 1128 S CB 2.180 65.505 63.200 0.208 0.000 1.071 1128 S HN 0.084 nan 8.310 nan 0.000 0.479 1129 T N 1.941 116.530 114.554 0.059 0.000 2.885 1129 T HA 0.631 4.978 4.350 -0.004 0.000 0.322 1129 T C -0.843 173.871 174.700 0.023 0.000 1.387 1129 T CA -0.184 61.941 62.100 0.041 0.000 1.041 1129 T CB 1.481 70.370 68.868 0.035 0.000 1.287 1129 T HN 1.008 nan 8.240 nan 0.000 0.491 1130 T N 0.876 115.452 114.554 0.037 0.000 2.909 1130 T HA 0.741 5.089 4.350 -0.004 0.000 0.289 1130 T C 0.594 175.342 174.700 0.080 0.000 1.005 1130 T CA -0.399 61.733 62.100 0.053 0.000 1.084 1130 T CB 1.296 70.197 68.868 0.054 0.000 0.975 1130 T HN 0.855 nan 8.240 nan 0.000 0.509 1131 G N 0.389 109.260 108.800 0.118 0.000 2.568 1131 G HA2 0.727 4.684 3.960 -0.004 0.000 0.313 1131 G HA3 0.727 4.684 3.960 -0.004 0.000 0.313 1131 G C -1.920 173.165 174.900 0.308 0.000 1.227 1131 G CA -0.946 44.259 45.100 0.174 0.000 0.979 1131 G HN 0.722 nan 8.290 nan 0.000 0.486 1132 F N -0.654 119.360 119.950 0.107 0.000 2.693 1132 F HA 0.674 5.200 4.527 -0.002 0.000 0.309 1132 F C -1.986 173.922 175.800 0.181 0.000 1.129 1132 F CA -1.169 56.904 58.000 0.121 0.000 0.948 1132 F CB 2.217 41.259 39.000 0.071 0.000 1.315 1132 F HN 0.596 nan 8.300 nan 0.000 0.447 1133 Y N 4.025 123.962 120.300 -0.604 0.000 2.519 1133 Y HA 0.622 5.169 4.550 -0.004 0.000 0.336 1133 Y C -1.670 173.873 175.900 -0.595 0.000 1.089 1133 Y CA -0.940 56.919 58.100 -0.402 0.000 1.025 1133 Y CB 1.524 39.842 38.460 -0.237 0.000 1.318 1133 Y HN 0.717 nan 8.280 nan 0.000 0.452 1134 R N 3.985 123.796 120.500 -1.148 0.000 2.500 1134 R HA 0.370 4.707 4.340 -0.004 0.000 0.299 1134 R C -1.221 174.448 176.300 -1.051 0.000 1.038 1134 R CA -0.520 55.109 56.100 -0.785 0.000 0.903 1134 R CB 1.487 31.582 30.300 -0.341 0.000 1.177 1134 R HN 0.863 nan 8.270 nan 0.000 0.455 1135 T N 6.641 120.705 114.554 -0.817 0.000 2.871 1135 T HA 0.098 4.445 4.350 -0.004 0.000 0.296 1135 T C -2.091 172.372 174.700 -0.395 0.000 0.998 1135 T CA -0.465 61.259 62.100 -0.627 0.000 1.162 1135 T CB 0.586 69.224 68.868 -0.383 0.000 0.947 1135 T HN 0.416 nan 8.240 nan 0.000 0.536 1136 P HA 0.224 nan 4.420 nan 0.000 0.276 1136 P C -0.229 177.052 177.300 -0.031 0.000 1.244 1136 P CA -0.588 62.445 63.100 -0.113 0.000 0.801 1136 P CB 0.425 32.116 31.700 -0.015 0.000 1.006 1137 N N -0.399 118.294 118.700 -0.011 0.000 2.714 1137 N HA -0.157 4.581 4.740 -0.004 0.000 0.253 1137 N C -0.724 174.795 175.510 0.014 0.000 1.024 1137 N CA 0.767 53.828 53.050 0.018 0.000 0.726 1137 N CB -1.850 36.669 38.487 0.052 0.000 0.908 1137 N HN 0.465 nan 8.380 nan 0.000 0.542 1138 L N -0.623 120.588 121.223 -0.020 0.000 2.333 1138 L HA 0.770 5.108 4.340 -0.004 0.000 0.269 1138 L C 0.965 177.818 176.870 -0.029 0.000 1.010 1138 L CA -0.636 54.181 54.840 -0.038 0.000 0.818 1138 L CB 2.051 44.070 42.059 -0.066 0.000 1.306 1138 L HN 0.343 nan 8.230 nan 0.000 0.430 1139 G N 1.433 110.213 108.800 -0.033 0.000 2.243 1139 G HA2 -0.098 3.859 3.960 -0.004 0.000 0.231 1139 G HA3 -0.098 3.859 3.960 -0.004 0.000 0.231 1139 G C -1.412 173.497 174.900 0.016 0.000 2.559 1139 G CA -0.808 44.291 45.100 -0.002 0.000 1.110 1139 G HN 0.429 nan 8.290 nan 0.000 0.618 1140 Y N 1.760 121.989 120.300 -0.118 0.000 2.309 1140 Y HA 0.674 5.221 4.550 -0.004 0.000 0.327 1140 Y C 0.427 176.306 175.900 -0.035 0.000 1.172 1140 Y CA 0.095 58.120 58.100 -0.126 0.000 1.280 1140 Y CB 1.756 40.055 38.460 -0.269 0.000 1.234 1140 Y HN 0.370 nan 8.280 nan 0.000 0.512 1141 S N 5.782 120.971 115.700 -0.851 0.000 2.456 1141 S HA 0.312 4.779 4.470 -0.004 0.000 0.316 1141 S C 0.296 174.338 174.600 -0.931 0.000 1.089 1141 S CA -0.639 57.201 58.200 -0.599 0.000 1.101 1141 S CB 0.057 63.065 63.200 -0.320 0.000 0.995 1141 S HN 0.745 nan 8.310 nan 0.000 0.468 1142 F N 2.437 122.172 119.950 -0.358 0.000 2.407 1142 F HA 0.076 4.601 4.527 -0.004 0.000 0.299 1142 F C 1.210 176.964 175.800 -0.076 0.000 1.097 1142 F CA 0.310 58.252 58.000 -0.097 0.000 1.422 1142 F CB 0.187 39.234 39.000 0.079 0.000 1.067 1142 F HN 0.558 nan 8.300 nan 0.000 0.539 1143 E N -0.606 119.625 120.200 0.053 0.000 2.174 1143 E HA 0.405 4.752 4.350 -0.004 0.000 0.282 1143 E C 0.842 177.402 176.600 -0.068 0.000 0.992 1143 E CA 0.384 56.790 56.400 0.010 0.000 0.803 1143 E CB 1.311 31.024 29.700 0.022 0.000 1.090 1143 E HN 0.191 nan 8.360 nan 0.000 0.396 1144 T N 1.350 115.872 114.554 -0.053 0.000 10.068 1144 T HA -0.355 3.993 4.350 -0.004 0.000 0.348 1144 T C 0.813 175.451 174.700 -0.103 0.000 1.887 1144 T CA 0.899 62.954 62.100 -0.074 0.000 3.059 1144 T CB -1.974 66.844 68.868 -0.084 0.000 2.181 1144 T HN 0.988 nan 8.240 nan 0.000 0.815 1145 N N 1.145 119.722 118.700 -0.205 0.000 2.738 1145 N HA -0.158 4.580 4.740 -0.004 0.000 0.249 1145 N C -0.282 175.204 175.510 -0.040 0.000 1.047 1145 N CA 2.181 55.143 53.050 -0.146 0.000 0.707 1145 N CB -1.400 37.119 38.487 0.054 0.000 0.937 1145 N HN 1.936 nan 8.380 nan 0.000 0.545 1146 S N -1.739 113.840 115.700 -0.202 0.000 2.638 1146 S HA 0.904 5.372 4.470 -0.004 0.000 0.274 1146 S C 0.223 174.790 174.600 -0.056 0.000 1.157 1146 S CA 0.038 58.214 58.200 -0.040 0.000 0.826 1146 S CB 1.713 64.884 63.200 -0.049 0.000 1.139 1146 S HN 1.565 nan 8.310 nan 0.000 0.474 1147 G N 1.130 109.949 108.800 0.032 0.000 2.719 1147 G HA2 -0.055 3.902 3.960 -0.004 0.000 0.686 1147 G HA3 -0.055 3.902 3.960 -0.004 0.000 0.686 1147 G C -1.235 173.730 174.900 0.108 0.000 1.201 1147 G CA -0.988 44.133 45.100 0.035 0.000 0.768 1147 G HN 0.860 nan 8.290 nan 0.000 0.629 1148 N N 0.344 119.073 118.700 0.049 0.000 2.497 1148 N HA 0.430 5.168 4.740 -0.004 0.000 0.268 1148 N C 1.257 176.682 175.510 -0.142 0.000 1.171 1148 N CA 0.498 53.555 53.050 0.013 0.000 0.948 1148 N CB 1.609 40.108 38.487 0.019 0.000 1.069 1148 N HN 1.041 nan 8.380 nan 0.000 0.460 1149 A N 2.671 125.227 122.820 -0.440 0.000 2.030 1149 A HA 0.208 4.526 4.320 -0.004 0.000 0.215 1149 A C 0.161 177.076 177.584 -1.115 0.000 1.164 1149 A CA 0.699 52.085 52.037 -1.085 0.000 0.697 1149 A CB 0.120 17.678 19.000 -2.404 0.000 0.827 1149 A HN 0.583 nan 8.150 nan 0.000 0.457 1150 F N -3.590 116.155 119.950 -0.341 0.000 2.611 1150 F HA 0.486 5.011 4.527 -0.004 0.000 0.324 1150 F C 1.097 176.766 175.800 -0.219 0.000 1.061 1150 F CA -0.790 56.970 58.000 -0.399 0.000 0.954 1150 F CB 1.168 39.717 39.000 -0.752 0.000 1.301 1150 F HN 0.102 nan 8.300 nan 0.000 0.482 1151 H N 0.322 119.322 119.070 -0.117 0.000 2.399 1151 H HA 0.129 4.683 4.556 -0.004 0.000 0.300 1151 H C -0.790 174.580 175.328 0.069 0.000 1.048 1151 H CA 1.484 57.519 56.048 -0.021 0.000 1.370 1151 H CB 0.269 30.050 29.762 0.033 0.000 1.428 1151 H HN 0.534 nan 8.280 nan 0.000 0.534 1152 Y N -3.809 116.358 120.300 -0.221 0.000 2.905 1152 Y HA 0.482 5.030 4.550 -0.004 0.000 0.322 1152 Y C -1.740 173.808 175.900 -0.587 0.000 1.455 1152 Y CA -1.934 56.004 58.100 -0.270 0.000 1.083 1152 Y CB 0.764 39.128 38.460 -0.161 0.000 1.473 1152 Y HN -0.196 nan 8.280 nan 0.000 0.449 1153 F N 0.167 120.111 119.950 -0.009 0.000 2.551 1153 F HA 0.669 5.194 4.527 -0.004 0.000 0.316 1153 F C -0.241 175.336 175.800 -0.371 0.000 1.089 1153 F CA -0.856 56.927 58.000 -0.362 0.000 0.915 1153 F CB 2.618 41.288 39.000 -0.549 0.000 1.186 1153 F HN 0.459 nan 8.300 nan 0.000 0.456 1154 T N 2.049 116.495 114.554 -0.180 0.000 2.875 1154 T HA 0.564 4.912 4.350 -0.004 0.000 0.284 1154 T C -1.220 173.316 174.700 -0.272 0.000 0.995 1154 T CA -0.425 61.617 62.100 -0.097 0.000 1.060 1154 T CB 0.589 69.501 68.868 0.074 0.000 0.967 1154 T HN 0.318 nan 8.240 nan 0.000 0.476 1155 Y N -0.047 120.344 120.300 0.153 0.000 2.576 1155 Y HA 0.747 5.295 4.550 -0.004 0.000 0.346 1155 Y C 0.596 176.542 175.900 0.077 0.000 1.018 1155 Y CA -0.983 57.170 58.100 0.089 0.000 1.050 1155 Y CB 2.515 40.952 38.460 -0.038 0.000 1.280 1155 Y HN 0.929 nan 8.280 nan 0.000 0.474 1156 G N -0.102 108.849 108.800 0.252 0.000 2.559 1156 G HA2 0.609 4.566 3.960 -0.004 0.000 0.291 1156 G HA3 0.609 4.566 3.960 -0.004 0.000 0.291 1156 G C -2.379 172.628 174.900 0.179 0.000 1.424 1156 G CA -0.778 44.428 45.100 0.175 0.000 0.786 1156 G HN 0.497 nan 8.290 nan 0.000 0.485 1157 V N -0.392 119.599 119.914 0.127 0.000 2.851 1157 V HA 0.835 4.952 4.120 -0.004 0.000 0.307 1157 V C -0.106 176.007 176.094 0.032 0.000 1.129 1157 V CA -0.271 62.096 62.300 0.111 0.000 0.932 1157 V CB 1.618 33.503 31.823 0.104 0.000 1.024 1157 V HN 1.667 nan 8.190 nan 0.000 0.426 1158 A N 2.515 125.348 122.820 0.023 0.000 2.401 1158 A HA 0.832 5.150 4.320 -0.004 0.000 0.310 1158 A C -0.924 176.630 177.584 -0.051 0.000 1.075 1158 A CA -0.493 51.537 52.037 -0.011 0.000 0.746 1158 A CB 1.792 20.834 19.000 0.071 0.000 1.277 1158 A HN 1.075 nan 8.150 nan 0.000 0.425 1159 C N 1.622 120.880 119.300 -0.070 0.000 2.369 1159 C HA 0.848 5.305 4.460 -0.004 0.000 0.322 1159 C C -0.056 174.933 174.990 -0.002 0.000 1.258 1159 C CA -0.071 58.914 59.018 -0.054 0.000 1.487 1159 C CB 0.242 27.930 27.740 -0.086 0.000 2.165 1159 C HN 0.857 nan 8.230 nan 0.000 0.483 1160 S N 3.378 119.104 115.700 0.043 0.000 2.568 1160 S HA 0.605 5.072 4.470 -0.004 0.000 0.293 1160 S C -1.287 173.331 174.600 0.030 0.000 1.089 1160 S CA -0.494 57.737 58.200 0.051 0.000 0.945 1160 S CB 1.783 65.055 63.200 0.121 0.000 1.077 1160 S HN 0.869 nan 8.310 nan 0.000 0.485 1161 E N 1.356 121.558 120.200 0.003 0.000 2.222 1161 E HA 0.666 5.014 4.350 -0.004 0.000 0.267 1161 E C -1.430 175.154 176.600 -0.027 0.000 0.884 1161 E CA -0.806 55.577 56.400 -0.028 0.000 0.764 1161 E CB 1.576 31.239 29.700 -0.062 0.000 1.169 1161 E HN 0.511 nan 8.360 nan 0.000 0.413 1162 V N 0.575 120.464 119.914 -0.041 0.000 3.007 1162 V HA 0.635 4.753 4.120 -0.004 0.000 0.311 1162 V C -1.043 175.010 176.094 -0.069 0.000 1.120 1162 V CA -0.829 61.461 62.300 -0.018 0.000 0.980 1162 V CB 1.832 33.668 31.823 0.021 0.000 1.033 1162 V HN 0.810 nan 8.190 nan 0.000 0.429 1163 E N 3.503 123.672 120.200 -0.052 0.000 2.199 1163 E HA 0.631 4.979 4.350 -0.004 0.000 0.265 1163 E C -0.779 175.843 176.600 0.038 0.000 0.882 1163 E CA -0.943 55.411 56.400 -0.078 0.000 0.759 1163 E CB 1.917 31.518 29.700 -0.164 0.000 1.148 1163 E HN 0.962 nan 8.360 nan 0.000 0.412 1164 I N 0.861 121.468 120.570 0.062 0.000 2.488 1164 I HA 0.502 4.669 4.170 -0.004 0.000 0.299 1164 I C -0.316 175.874 176.117 0.120 0.000 0.984 1164 I CA -0.819 60.541 61.300 0.100 0.000 1.250 1164 I CB 1.610 39.645 38.000 0.058 0.000 1.389 1164 I HN 0.382 nan 8.210 nan 0.000 0.488 1165 D N 4.812 125.277 120.400 0.109 0.000 2.313 1165 D HA 0.241 4.879 4.640 -0.004 0.000 0.239 1165 D C 0.523 176.892 176.300 0.115 0.000 1.142 1165 D CA -0.429 53.638 54.000 0.112 0.000 0.847 1165 D CB 1.565 42.406 40.800 0.068 0.000 1.082 1165 D HN 0.749 nan 8.370 nan 0.000 0.480 1166 C N 3.434 122.839 119.300 0.176 0.000 2.456 1166 C HA 0.033 4.490 4.460 -0.004 0.000 0.279 1166 C C 2.507 177.586 174.990 0.149 0.000 1.427 1166 C CA -0.090 59.044 59.018 0.193 0.000 1.778 1166 C CB -0.839 27.083 27.740 0.302 0.000 1.842 1166 C HN 0.644 nan 8.230 nan 0.000 0.531 1167 L N 0.917 122.189 121.223 0.082 0.000 2.416 1167 L HA 0.009 4.347 4.340 -0.004 0.000 0.216 1167 L C 2.586 179.402 176.870 -0.091 0.000 1.098 1167 L CA 1.587 56.382 54.840 -0.076 0.000 0.840 1167 L CB -0.264 41.652 42.059 -0.238 0.000 0.981 1167 L HN 0.508 nan 8.230 nan 0.000 0.462 1168 T N -5.930 108.602 114.554 -0.037 0.000 2.955 1168 T HA 0.293 4.640 4.350 -0.004 0.000 0.251 1168 T C 1.500 176.196 174.700 -0.006 0.000 1.002 1168 T CA 0.578 62.656 62.100 -0.036 0.000 0.970 1168 T CB 1.005 69.850 68.868 -0.039 0.000 1.091 1168 T HN 0.269 nan 8.240 nan 0.000 0.495 1169 G N 1.400 110.213 108.800 0.021 0.000 2.217 1169 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.246 1169 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.246 1169 G C -0.131 174.807 174.900 0.064 0.000 0.990 1169 G CA 0.114 45.234 45.100 0.034 0.000 0.627 1169 G HN 0.602 nan 8.290 nan 0.000 0.522 1170 D N 1.481 121.912 120.400 0.051 0.000 2.390 1170 D HA 0.385 5.022 4.640 -0.004 0.000 0.236 1170 D C 0.608 176.987 176.300 0.131 0.000 1.189 1170 D CA 1.235 55.270 54.000 0.059 0.000 0.887 1170 D CB 0.287 41.089 40.800 0.003 0.000 1.198 1170 D HN 0.740 nan 8.370 nan 0.000 0.444 1171 H N -1.765 117.287 119.070 -0.030 0.000 3.064 1171 H HA 0.378 4.931 4.556 -0.004 0.000 0.352 1171 H C -1.357 173.947 175.328 -0.041 0.000 1.260 1171 H CA -0.894 55.133 56.048 -0.034 0.000 1.160 1171 H CB 1.014 30.749 29.762 -0.045 0.000 1.879 1171 H HN 0.179 nan 8.280 nan 0.000 0.544 1172 K N 2.289 122.642 120.400 -0.078 0.000 2.244 1172 K HA 0.299 4.617 4.320 -0.004 0.000 0.260 1172 K C -0.570 176.012 176.600 -0.029 0.000 0.951 1172 K CA -1.072 55.144 56.287 -0.118 0.000 0.826 1172 K CB 1.518 33.974 32.500 -0.073 0.000 1.108 1172 K HN 0.453 nan 8.250 nan 0.000 0.433 1173 N N 4.002 122.673 118.700 -0.048 0.000 2.402 1173 N HA 0.064 4.801 4.740 -0.004 0.000 0.252 1173 N C 0.776 176.263 175.510 -0.038 0.000 1.118 1173 N CA 0.024 53.071 53.050 -0.007 0.000 0.945 1173 N CB 0.827 39.306 38.487 -0.014 0.000 1.147 1173 N HN 0.482 nan 8.380 nan 0.000 0.495 1174 L N 1.162 122.362 121.223 -0.039 0.000 2.068 1174 L HA 0.081 4.419 4.340 -0.004 0.000 0.204 1174 L C 1.047 177.894 176.870 -0.039 0.000 1.076 1174 L CA 0.889 55.698 54.840 -0.052 0.000 0.753 1174 L CB 0.032 42.043 42.059 -0.080 0.000 0.910 1174 L HN 0.455 nan 8.230 nan 0.000 0.439 1175 R N -0.939 119.540 120.500 -0.035 0.000 2.633 1175 R HA 0.327 4.665 4.340 -0.004 0.000 0.256 1175 R C -1.685 174.600 176.300 -0.026 0.000 1.131 1175 R CA -0.242 55.843 56.100 -0.025 0.000 0.994 1175 R CB 1.818 32.101 30.300 -0.027 0.000 1.261 1175 R HN -0.189 nan 8.270 nan 0.000 0.446 1176 T N 2.361 116.896 114.554 -0.032 0.000 2.900 1176 T HA 0.433 4.781 4.350 -0.004 0.000 0.295 1176 T C -1.599 173.068 174.700 -0.055 0.000 1.044 1176 T CA -0.600 61.457 62.100 -0.072 0.000 0.995 1176 T CB 1.750 70.474 68.868 -0.240 0.000 1.072 1176 T HN 0.543 nan 8.240 nan 0.000 0.473 1177 D N 1.280 121.627 120.400 -0.088 0.000 2.863 1177 D HA 0.589 5.227 4.640 -0.004 0.000 0.245 1177 D C -0.837 175.398 176.300 -0.109 0.000 1.211 1177 D CA -0.326 53.624 54.000 -0.082 0.000 0.888 1177 D CB 1.490 42.247 40.800 -0.072 0.000 1.483 1177 D HN 0.349 nan 8.370 nan 0.000 0.533 1178 I N 1.559 122.063 120.570 -0.110 0.000 2.569 1178 I HA 0.565 4.733 4.170 -0.004 0.000 0.296 1178 I C -0.800 175.281 176.117 -0.059 0.000 1.028 1178 I CA -1.153 60.094 61.300 -0.088 0.000 1.082 1178 I CB 2.183 40.122 38.000 -0.102 0.000 1.264 1178 I HN 0.016 nan 8.210 nan 0.000 0.429 1179 V N 5.900 125.796 119.914 -0.029 0.000 2.409 1179 V HA 0.436 4.553 4.120 -0.004 0.000 0.290 1179 V C -0.237 175.874 176.094 0.029 0.000 1.017 1179 V CA -0.483 61.812 62.300 -0.009 0.000 0.841 1179 V CB 1.574 33.389 31.823 -0.013 0.000 1.003 1179 V HN 0.577 nan 8.190 nan 0.000 0.426 1180 M N 3.127 122.747 119.600 0.033 0.000 2.268 1180 M HA 0.396 4.874 4.480 -0.004 0.000 0.344 1180 M C -0.322 176.019 176.300 0.069 0.000 1.106 1180 M CA -0.622 54.716 55.300 0.064 0.000 1.010 1180 M CB 1.351 33.985 32.600 0.056 0.000 1.649 1180 M HN 0.625 nan 8.290 nan 0.000 0.443 1181 D N 3.506 123.970 120.400 0.106 0.000 2.383 1181 D HA 0.194 4.831 4.640 -0.004 0.000 0.245 1181 D C 0.606 176.970 176.300 0.107 0.000 1.263 1181 D CA -0.040 54.029 54.000 0.115 0.000 0.936 1181 D CB 0.375 41.292 40.800 0.195 0.000 1.053 1181 D HN 0.431 nan 8.370 nan 0.000 0.507 1182 V N 1.999 121.955 119.914 0.070 0.000 3.099 1182 V HA 0.555 4.672 4.120 -0.004 0.000 0.356 1182 V C 1.198 177.312 176.094 0.034 0.000 1.364 1182 V CA 0.232 62.569 62.300 0.061 0.000 1.229 1182 V CB -0.340 31.512 31.823 0.049 0.000 1.227 1182 V HN 0.594 nan 8.190 nan 0.000 0.493 1183 G N 1.581 110.397 108.800 0.026 0.000 2.582 1183 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.288 1183 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.288 1183 G C 0.063 174.961 174.900 -0.003 0.000 1.247 1183 G CA 0.109 45.205 45.100 -0.007 0.000 0.972 1183 G HN 1.055 nan 8.290 nan 0.000 0.557 1184 S N 0.311 116.003 115.700 -0.013 0.000 2.399 1184 S HA 0.533 5.000 4.470 -0.004 0.000 0.301 1184 S C 0.457 175.057 174.600 0.001 0.000 1.093 1184 S CA 0.559 58.755 58.200 -0.006 0.000 1.077 1184 S CB 1.333 64.528 63.200 -0.007 0.000 0.980 1184 S HN 1.157 nan 8.310 nan 0.000 0.494 1185 S N 3.298 119.000 115.700 0.002 0.000 2.533 1185 S HA 0.173 4.640 4.470 -0.004 0.000 0.282 1185 S C 1.345 175.949 174.600 0.006 0.000 1.304 1185 S CA -0.683 57.522 58.200 0.008 0.000 1.063 1185 S CB 0.028 63.231 63.200 0.006 0.000 0.881 1185 S HN 0.655 nan 8.310 nan 0.000 0.493 1186 L N 3.402 124.635 121.223 0.017 0.000 2.201 1186 L HA 0.085 4.423 4.340 -0.004 0.000 0.212 1186 L C 1.091 177.962 176.870 0.001 0.000 1.105 1186 L CA 0.583 55.432 54.840 0.015 0.000 0.775 1186 L CB -0.334 41.748 42.059 0.039 0.000 0.913 1186 L HN 0.615 nan 8.230 nan 0.000 0.440 1187 N N -1.061 117.642 118.700 0.005 0.000 2.932 1187 N HA 0.105 4.842 4.740 -0.004 0.000 0.242 1187 N C -2.257 173.257 175.510 0.007 0.000 1.351 1187 N CA -0.976 52.076 53.050 0.004 0.000 0.785 1187 N CB 1.298 39.790 38.487 0.008 0.000 1.501 1187 N HN -0.282 nan 8.380 nan 0.000 0.584 1188 P HA -0.139 nan 4.420 nan 0.000 0.216 1188 P C 1.099 178.398 177.300 -0.003 0.000 1.150 1188 P CA 1.282 64.380 63.100 -0.003 0.000 0.843 1188 P CB 0.320 32.014 31.700 -0.009 0.000 0.787 1189 A N -0.320 122.501 122.820 0.002 0.000 1.930 1189 A HA -0.144 4.173 4.320 -0.004 0.000 0.217 1189 A C 2.197 179.792 177.584 0.018 0.000 1.175 1189 A CA 1.344 53.384 52.037 0.005 0.000 0.627 1189 A CB -1.260 17.747 19.000 0.012 0.000 0.815 1189 A HN 0.024 nan 8.150 nan 0.000 0.443 1190 I N 0.718 121.306 120.570 0.029 0.000 2.202 1190 I HA -0.168 3.999 4.170 -0.004 0.000 0.242 1190 I C 1.746 177.885 176.117 0.038 0.000 1.091 1190 I CA 1.441 62.768 61.300 0.045 0.000 1.368 1190 I CB -1.543 36.486 38.000 0.048 0.000 1.058 1190 I HN 0.258 nan 8.210 nan 0.000 0.410 1191 D N 0.623 121.039 120.400 0.026 0.000 2.144 1191 D HA -0.104 4.534 4.640 -0.004 0.000 0.199 1191 D C 2.378 178.687 176.300 0.015 0.000 0.984 1191 D CA 1.004 55.019 54.000 0.025 0.000 0.834 1191 D CB -0.088 40.726 40.800 0.022 0.000 0.955 1191 D HN 0.313 nan 8.370 nan 0.000 0.465 1192 I N 0.708 121.275 120.570 -0.004 0.000 2.315 1192 I HA -0.131 4.036 4.170 -0.004 0.000 0.248 1192 I C 2.455 178.552 176.117 -0.034 0.000 1.117 1192 I CA 1.130 62.409 61.300 -0.034 0.000 1.404 1192 I CB -0.253 37.712 38.000 -0.058 0.000 1.071 1192 I HN 0.013 nan 8.210 nan 0.000 0.419 1193 G N -0.177 108.620 108.800 -0.005 0.000 2.408 1193 G HA2 -0.203 3.754 3.960 -0.004 0.000 0.217 1193 G HA3 -0.203 3.754 3.960 -0.004 0.000 0.217 1193 G C 1.581 176.513 174.900 0.052 0.000 1.150 1193 G CA 0.267 45.377 45.100 0.017 0.000 0.776 1193 G HN 0.253 nan 8.290 nan 0.000 0.542 1194 Q N 0.265 120.099 119.800 0.058 0.000 2.084 1194 Q HA -0.050 4.288 4.340 -0.004 0.000 0.202 1194 Q C 3.002 179.054 176.000 0.087 0.000 0.978 1194 Q CA 1.028 56.880 55.803 0.080 0.000 0.844 1194 Q CB -0.773 28.006 28.738 0.069 0.000 0.898 1194 Q HN 0.400 nan 8.270 nan 0.000 0.426 1195 V N 1.523 121.474 119.914 0.062 0.000 2.255 1195 V HA -0.267 3.850 4.120 -0.004 0.000 0.247 1195 V C 2.191 178.369 176.094 0.140 0.000 1.051 1195 V CA 2.056 64.404 62.300 0.079 0.000 1.018 1195 V CB -0.591 31.249 31.823 0.027 0.000 0.641 1195 V HN 0.393 nan 8.190 nan 0.000 0.445 1196 E N 0.305 120.547 120.200 0.071 0.000 2.058 1196 E HA -0.172 4.176 4.350 -0.004 0.000 0.194 1196 E C 2.334 179.114 176.600 0.301 0.000 0.997 1196 E CA 1.345 57.835 56.400 0.150 0.000 0.801 1196 E CB -0.564 29.071 29.700 -0.109 0.000 0.746 1196 E HN 0.648 nan 8.360 nan 0.000 0.450 1197 G N 1.205 110.115 108.800 0.183 0.000 2.421 1197 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.216 1197 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.216 1197 G C 1.717 176.708 174.900 0.153 0.000 1.171 1197 G CA 0.964 46.163 45.100 0.165 0.000 0.775 1197 G HN 0.353 nan 8.290 nan 0.000 0.543 1198 A N 0.552 123.470 122.820 0.163 0.000 1.883 1198 A HA -0.013 4.304 4.320 -0.004 0.000 0.217 1198 A C 2.204 179.867 177.584 0.132 0.000 1.186 1198 A CA 1.744 53.859 52.037 0.129 0.000 0.624 1198 A CB -0.690 18.379 19.000 0.115 0.000 0.822 1198 A HN 0.459 nan 8.150 nan 0.000 0.444 1199 F N 0.824 120.826 119.950 0.087 0.000 2.120 1199 F HA -0.194 4.331 4.527 -0.004 0.000 0.300 1199 F C 2.128 177.954 175.800 0.043 0.000 1.095 1199 F CA 2.176 60.231 58.000 0.092 0.000 1.249 1199 F CB -0.205 38.904 39.000 0.182 0.000 0.995 1199 F HN 0.032 nan 8.300 nan 0.000 0.480 1200 V N 0.118 120.086 119.914 0.091 0.000 2.548 1200 V HA -0.250 3.867 4.120 -0.004 0.000 0.249 1200 V C 2.259 178.249 176.094 -0.174 0.000 1.055 1200 V CA 1.921 64.178 62.300 -0.071 0.000 1.065 1200 V CB -0.731 31.135 31.823 0.071 0.000 0.681 1200 V HN 0.390 nan 8.190 nan 0.000 0.462 1201 Q N 0.125 119.845 119.800 -0.133 0.000 2.119 1201 Q HA -0.112 4.226 4.340 -0.004 0.000 0.201 1201 Q C 2.381 178.222 176.000 -0.266 0.000 0.972 1201 Q CA 1.572 57.265 55.803 -0.182 0.000 0.847 1201 Q CB -0.429 28.229 28.738 -0.133 0.000 0.903 1201 Q HN 0.724 nan 8.270 nan 0.000 0.433 1202 G N 1.470 110.116 108.800 -0.256 0.000 2.421 1202 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.216 1202 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.216 1202 G C 1.469 176.204 174.900 -0.276 0.000 1.171 1202 G CA 1.073 46.006 45.100 -0.278 0.000 0.775 1202 G HN 0.389 nan 8.290 nan 0.000 0.543 1203 L N 1.054 122.029 121.223 -0.413 0.000 2.127 1203 L HA 0.166 4.504 4.340 -0.004 0.000 0.211 1203 L C 2.454 179.189 176.870 -0.225 0.000 1.089 1203 L CA 2.232 56.875 54.840 -0.328 0.000 0.757 1203 L CB -1.316 40.461 42.059 -0.471 0.000 0.899 1203 L HN 0.087 nan 8.230 nan 0.000 0.434 1204 G N 0.244 108.883 108.800 -0.267 0.000 2.433 1204 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.216 1204 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.216 1204 G C 1.535 176.248 174.900 -0.312 0.000 1.186 1204 G CA 0.958 45.897 45.100 -0.267 0.000 0.779 1204 G HN 0.455 nan 8.290 nan 0.000 0.543 1205 L N -0.134 120.823 121.223 -0.444 0.000 2.021 1205 L HA -0.004 4.334 4.340 -0.004 0.000 0.215 1205 L C 2.421 178.929 176.870 -0.603 0.000 1.074 1205 L CA 1.771 56.226 54.840 -0.640 0.000 0.760 1205 L CB -0.648 40.796 42.059 -1.024 0.000 0.889 1205 L HN 0.280 nan 8.230 nan 0.000 0.433 1206 F N -1.639 118.135 119.950 -0.292 0.000 2.664 1206 F HA 0.025 4.550 4.527 -0.004 0.000 0.296 1206 F C 1.821 177.584 175.800 -0.062 0.000 1.125 1206 F CA 0.717 58.548 58.000 -0.280 0.000 1.444 1206 F CB -0.032 38.786 39.000 -0.303 0.000 1.114 1206 F HN 0.326 nan 8.300 nan 0.000 0.576 1207 T N -5.142 109.443 114.554 0.052 0.000 3.092 1207 T HA 0.196 4.543 4.350 -0.004 0.000 0.273 1207 T C 0.844 175.552 174.700 0.012 0.000 0.898 1207 T CA 0.085 62.216 62.100 0.052 0.000 0.868 1207 T CB 0.119 69.022 68.868 0.059 0.000 1.228 1207 T HN 0.035 nan 8.240 nan 0.000 0.555 1208 L N 0.409 121.583 121.223 -0.082 0.000 2.815 1208 L HA 0.562 4.900 4.340 -0.004 0.000 0.241 1208 L C 0.042 176.769 176.870 -0.240 0.000 1.047 1208 L CA 0.476 55.231 54.840 -0.141 0.000 0.939 1208 L CB 0.537 42.486 42.059 -0.183 0.000 1.490 1208 L HN 0.223 nan 8.230 nan 0.000 0.510 1209 E N 1.240 121.262 120.200 -0.295 0.000 2.115 1209 E HA 0.313 4.660 4.350 -0.004 0.000 0.282 1209 E C -0.533 175.945 176.600 -0.204 0.000 0.987 1209 E CA -0.042 56.071 56.400 -0.479 0.000 0.797 1209 E CB 1.172 30.596 29.700 -0.460 0.000 1.086 1209 E HN 0.062 nan 8.360 nan 0.000 0.397 1210 E N 4.256 124.384 120.200 -0.120 0.000 2.246 1210 E HA 0.267 4.614 4.350 -0.004 0.000 0.266 1210 E C -1.248 175.526 176.600 0.289 0.000 0.880 1210 E CA -0.582 55.885 56.400 0.112 0.000 0.762 1210 E CB 1.081 30.818 29.700 0.062 0.000 1.180 1210 E HN 0.399 nan 8.360 nan 0.000 0.416 1211 L N 3.806 125.200 121.223 0.284 0.000 2.312 1211 L HA 0.404 4.742 4.340 -0.004 0.000 0.281 1211 L C -0.306 176.629 176.870 0.109 0.000 1.070 1211 L CA -0.649 54.278 54.840 0.144 0.000 0.805 1211 L CB 0.854 42.956 42.059 0.072 0.000 1.174 1211 L HN 0.532 nan 8.230 nan 0.000 0.434 1212 H N 2.518 121.483 119.070 -0.176 0.000 2.609 1212 H HA 0.492 5.046 4.556 -0.004 0.000 0.344 1212 H C -1.671 173.449 175.328 -0.347 0.000 1.040 1212 H CA -0.607 55.397 56.048 -0.074 0.000 1.216 1212 H CB 1.004 30.820 29.762 0.091 0.000 1.529 1212 H HN 0.305 nan 8.280 nan 0.000 0.519 1213 Y N 2.115 122.204 120.300 -0.353 0.000 2.429 1213 Y HA 0.315 4.863 4.550 -0.004 0.000 0.342 1213 Y C 0.716 176.231 175.900 -0.643 0.000 1.004 1213 Y CA -0.678 57.151 58.100 -0.451 0.000 1.075 1213 Y CB 1.784 40.132 38.460 -0.188 0.000 1.214 1213 Y HN 0.765 nan 8.280 nan 0.000 0.455 1214 S N 2.064 117.395 115.700 -0.615 0.000 2.587 1214 S HA 0.091 4.558 4.470 -0.004 0.000 0.260 1214 S C -1.928 172.621 174.600 -0.084 0.000 1.353 1214 S CA -0.824 57.192 58.200 -0.307 0.000 0.995 1214 S CB 0.787 63.865 63.200 -0.202 0.000 0.912 1214 S HN 0.504 nan 8.310 nan 0.000 0.568 1215 P HA -0.032 nan 4.420 nan 0.000 0.218 1215 P C 0.684 177.973 177.300 -0.017 0.000 1.148 1215 P CA 1.116 64.217 63.100 0.000 0.000 0.822 1215 P CB -0.070 31.642 31.700 0.020 0.000 0.784 1216 E N -1.439 118.748 120.200 -0.021 0.000 2.511 1216 E HA 0.206 4.553 4.350 -0.004 0.000 0.196 1216 E C 1.364 177.943 176.600 -0.034 0.000 1.066 1216 E CA 0.755 57.140 56.400 -0.026 0.000 0.871 1216 E CB -0.918 28.769 29.700 -0.023 0.000 0.863 1216 E HN 0.213 nan 8.360 nan 0.000 0.520 1217 G N 0.263 109.042 108.800 -0.035 0.000 2.134 1217 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.209 1217 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.209 1217 G C 0.220 175.148 174.900 0.046 0.000 0.993 1217 G CA 0.267 45.349 45.100 -0.030 0.000 0.669 1217 G HN 0.275 nan 8.290 nan 0.000 0.519 1218 S N -0.174 115.531 115.700 0.009 0.000 2.442 1218 S HA 0.655 5.123 4.470 -0.004 0.000 0.297 1218 S C 0.276 174.813 174.600 -0.105 0.000 1.131 1218 S CA -0.667 57.525 58.200 -0.013 0.000 1.092 1218 S CB 0.983 64.153 63.200 -0.050 0.000 0.998 1218 S HN 1.161 nan 8.310 nan 0.000 0.478 1219 L N 6.507 127.704 121.223 -0.044 0.000 2.410 1219 L HA 0.315 4.653 4.340 -0.004 0.000 0.273 1219 L C 1.044 177.779 176.870 -0.226 0.000 1.144 1219 L CA 0.620 55.281 54.840 -0.298 0.000 0.863 1219 L CB 0.263 42.188 42.059 -0.223 0.000 1.140 1219 L HN 0.807 nan 8.230 nan 0.000 0.463 1220 H N 1.678 120.622 119.070 -0.211 0.000 2.415 1220 H HA 0.063 4.617 4.556 -0.004 0.000 0.297 1220 H C 0.382 175.689 175.328 -0.036 0.000 1.048 1220 H CA 1.129 57.120 56.048 -0.095 0.000 1.365 1220 H CB -0.201 29.517 29.762 -0.073 0.000 1.421 1220 H HN 0.676 nan 8.280 nan 0.000 0.533 1221 T N 0.033 114.621 114.554 0.056 0.000 2.863 1221 T HA 0.384 4.731 4.350 -0.004 0.000 0.299 1221 T C 0.789 175.515 174.700 0.044 0.000 0.973 1221 T CA -0.528 61.629 62.100 0.095 0.000 0.994 1221 T CB 0.490 69.457 68.868 0.165 0.000 0.961 1221 T HN 0.187 nan 8.240 nan 0.000 0.552 1222 R N 1.754 122.302 120.500 0.079 0.000 2.596 1222 R HA 0.454 4.791 4.340 -0.004 0.000 0.369 1222 R C 0.735 177.092 176.300 0.096 0.000 1.042 1222 R CA -0.470 55.664 56.100 0.056 0.000 1.120 1222 R CB 1.125 31.454 30.300 0.048 0.000 1.353 1222 R HN 0.828 nan 8.270 nan 0.000 0.564 1223 G N 0.130 109.036 108.800 0.177 0.000 2.488 1223 G HA2 0.141 4.098 3.960 -0.004 0.000 0.301 1223 G HA3 0.141 4.098 3.960 -0.004 0.000 0.301 1223 G C -2.613 172.498 174.900 0.352 0.000 1.339 1223 G CA -0.698 44.550 45.100 0.246 0.000 0.803 1223 G HN -0.285 nan 8.290 nan 0.000 0.482 1224 P HA -0.013 nan 4.420 nan 0.000 0.230 1224 P C 1.745 179.110 177.300 0.108 0.000 1.158 1224 P CA 1.703 64.936 63.100 0.221 0.000 0.769 1224 P CB 0.244 32.074 31.700 0.216 0.000 0.807 1225 S N -0.457 115.313 115.700 0.117 0.000 2.414 1225 S HA -0.067 4.400 4.470 -0.004 0.000 0.227 1225 S C 1.773 176.412 174.600 0.065 0.000 1.022 1225 S CA 1.630 59.872 58.200 0.070 0.000 0.958 1225 S CB -1.633 61.605 63.200 0.064 0.000 0.797 1225 S HN 0.300 nan 8.310 nan 0.000 0.493 1226 T N -3.340 111.278 114.554 0.107 0.000 2.985 1226 T HA 0.286 4.634 4.350 -0.004 0.000 0.254 1226 T C -0.116 174.679 174.700 0.158 0.000 1.021 1226 T CA -0.372 61.794 62.100 0.109 0.000 0.957 1226 T CB -0.350 68.591 68.868 0.122 0.000 1.047 1226 T HN 0.392 nan 8.240 nan 0.000 0.511 1227 Y N 2.682 122.999 120.300 0.029 0.000 2.328 1227 Y HA 0.537 5.085 4.550 -0.004 0.000 0.333 1227 Y C -1.044 174.798 175.900 -0.096 0.000 0.958 1227 Y CA -1.515 56.584 58.100 -0.002 0.000 1.167 1227 Y CB 1.094 39.596 38.460 0.069 0.000 1.151 1227 Y HN -0.180 nan 8.280 nan 0.000 0.470 1228 K N 8.768 128.881 120.400 -0.478 0.000 2.299 1228 K HA 0.295 4.612 4.320 -0.004 0.000 0.268 1228 K C -0.350 175.921 176.600 -0.549 0.000 1.075 1228 K CA -0.407 55.635 56.287 -0.409 0.000 0.936 1228 K CB 0.519 32.864 32.500 -0.258 0.000 1.228 1228 K HN 0.828 nan 8.250 nan 0.000 0.454 1229 I N -0.560 119.695 120.570 -0.525 0.000 2.764 1229 I HA 0.369 4.537 4.170 -0.004 0.000 0.294 1229 I C -2.087 173.849 176.117 -0.301 0.000 1.045 1229 I CA -2.346 58.693 61.300 -0.435 0.000 1.340 1229 I CB 0.121 37.842 38.000 -0.465 0.000 1.436 1229 I HN 0.188 nan 8.210 nan 0.000 0.567 1230 P HA 0.117 nan 4.420 nan 0.000 0.264 1230 P C -0.756 176.447 177.300 -0.162 0.000 1.183 1230 P CA 0.094 63.081 63.100 -0.188 0.000 0.763 1230 P CB 0.522 32.119 31.700 -0.171 0.000 0.807 1231 A N 2.178 124.927 122.820 -0.118 0.000 2.282 1231 A HA 0.485 4.803 4.320 -0.004 0.000 0.324 1231 A C 0.825 178.396 177.584 -0.021 0.000 1.119 1231 A CA -0.576 51.430 52.037 -0.053 0.000 0.880 1231 A CB -0.003 18.990 19.000 -0.012 0.000 1.294 1231 A HN 0.445 nan 8.150 nan 0.000 0.493 1232 F N 0.648 120.581 119.950 -0.028 0.000 2.087 1232 F HA -0.203 4.321 4.527 -0.004 0.000 0.299 1232 F C 2.470 178.259 175.800 -0.019 0.000 1.100 1232 F CA 2.757 60.752 58.000 -0.008 0.000 1.226 1232 F CB -0.173 38.826 39.000 -0.002 0.000 0.983 1232 F HN 0.644 nan 8.300 nan 0.000 0.479 1233 G N -2.115 106.786 108.800 0.168 0.000 2.813 1233 G HA2 -0.060 3.898 3.960 -0.004 0.000 0.209 1233 G HA3 -0.060 3.898 3.960 -0.004 0.000 0.209 1233 G C 1.509 176.402 174.900 -0.012 0.000 1.150 1233 G CA 0.645 45.784 45.100 0.065 0.000 0.785 1233 G HN 0.333 nan 8.290 nan 0.000 0.535 1234 S N 0.356 116.031 115.700 -0.041 0.000 2.428 1234 S HA 0.065 4.533 4.470 -0.004 0.000 0.230 1234 S C 1.344 175.880 174.600 -0.106 0.000 1.014 1234 S CA -0.054 58.087 58.200 -0.098 0.000 0.957 1234 S CB -0.195 62.935 63.200 -0.116 0.000 0.784 1234 S HN 0.636 nan 8.310 nan 0.000 0.499 1235 I N 0.875 121.393 120.570 -0.087 0.000 2.754 1235 I HA 0.264 4.432 4.170 -0.004 0.000 0.285 1235 I C -2.908 173.115 176.117 -0.156 0.000 1.166 1235 I CA -2.202 59.004 61.300 -0.157 0.000 1.417 1235 I CB 0.019 37.958 38.000 -0.103 0.000 1.382 1235 I HN -0.148 nan 8.210 nan 0.000 0.588 1236 P HA 0.027 nan 4.420 nan 0.000 0.264 1236 P C 0.345 177.610 177.300 -0.059 0.000 1.183 1236 P CA 0.156 63.156 63.100 -0.166 0.000 0.763 1236 P CB 0.550 32.092 31.700 -0.263 0.000 0.807 1237 T N 0.630 115.170 114.554 -0.023 0.000 2.904 1237 T HA -0.056 4.291 4.350 -0.004 0.000 0.267 1237 T C 0.605 175.332 174.700 0.044 0.000 1.059 1237 T CA 1.310 63.418 62.100 0.012 0.000 1.137 1237 T CB -0.089 68.777 68.868 -0.003 0.000 0.879 1237 T HN 0.390 nan 8.240 nan 0.000 0.467 1238 E N 0.521 120.746 120.200 0.041 0.000 2.145 1238 E HA 0.362 4.710 4.350 -0.004 0.000 0.262 1238 E C -1.757 174.921 176.600 0.129 0.000 0.883 1238 E CA -0.408 56.033 56.400 0.068 0.000 0.748 1238 E CB 1.242 30.958 29.700 0.027 0.000 1.140 1238 E HN 0.371 nan 8.360 nan 0.000 0.417 1239 F N 4.300 124.214 119.950 -0.061 0.000 2.500 1239 F HA 0.429 4.954 4.527 -0.004 0.000 0.349 1239 F C -0.392 175.345 175.800 -0.105 0.000 1.127 1239 F CA -0.829 57.111 58.000 -0.100 0.000 0.998 1239 F CB 0.769 39.730 39.000 -0.065 0.000 1.237 1239 F HN 0.167 nan 8.300 nan 0.000 0.439 1240 R N 5.635 126.152 120.500 0.028 0.000 2.409 1240 R HA 0.595 4.932 4.340 -0.004 0.000 0.313 1240 R C -1.463 174.742 176.300 -0.159 0.000 0.953 1240 R CA -0.883 55.157 56.100 -0.101 0.000 0.849 1240 R CB 2.620 32.887 30.300 -0.055 0.000 1.171 1240 R HN 0.319 nan 8.270 nan 0.000 0.458 1241 V N 1.683 121.472 119.914 -0.209 0.000 2.628 1241 V HA 0.489 4.607 4.120 -0.004 0.000 0.306 1241 V C -0.187 175.841 176.094 -0.111 0.000 1.045 1241 V CA -0.607 61.590 62.300 -0.173 0.000 0.905 1241 V CB 2.127 33.820 31.823 -0.217 0.000 0.997 1241 V HN 0.725 nan 8.190 nan 0.000 0.436 1242 S N 4.083 119.737 115.700 -0.076 0.000 2.547 1242 S HA 0.706 5.174 4.470 -0.004 0.000 0.281 1242 S C -0.868 173.713 174.600 -0.032 0.000 1.118 1242 S CA -0.545 57.624 58.200 -0.051 0.000 0.947 1242 S CB 1.475 64.648 63.200 -0.044 0.000 1.053 1242 S HN 0.525 nan 8.310 nan 0.000 0.482 1243 L N 2.947 124.156 121.223 -0.022 0.000 2.309 1243 L HA 0.510 4.847 4.340 -0.004 0.000 0.282 1243 L C -0.220 176.651 176.870 0.001 0.000 1.036 1243 L CA -1.008 53.828 54.840 -0.005 0.000 0.806 1243 L CB 0.897 42.954 42.059 -0.004 0.000 1.220 1243 L HN 0.461 nan 8.230 nan 0.000 0.429 1244 L N 3.298 124.529 121.223 0.014 0.000 2.514 1244 L HA 0.095 4.433 4.340 -0.004 0.000 0.280 1244 L C 0.214 177.090 176.870 0.010 0.000 1.223 1244 L CA 0.764 55.613 54.840 0.015 0.000 0.864 1244 L CB 0.227 42.303 42.059 0.029 0.000 1.118 1244 L HN 0.499 nan 8.230 nan 0.000 0.494 1245 R N 2.965 123.469 120.500 0.007 0.000 2.604 1245 R HA 0.355 4.693 4.340 -0.004 0.000 0.287 1245 R C -0.499 175.804 176.300 0.006 0.000 0.970 1245 R CA -0.564 55.538 56.100 0.004 0.000 0.946 1245 R CB 0.881 31.181 30.300 -0.000 0.000 1.127 1245 R HN 0.763 nan 8.270 nan 0.000 0.473 1246 D N 0.571 120.973 120.400 0.003 0.000 2.746 1246 D HA -0.137 4.500 4.640 -0.004 0.000 0.236 1246 D C -0.592 175.712 176.300 0.006 0.000 1.129 1246 D CA 0.936 54.938 54.000 0.003 0.000 0.691 1246 D CB -1.537 39.265 40.800 0.004 0.000 1.077 1246 D HN 0.653 nan 8.370 nan 0.000 0.432 1247 C N -1.145 118.158 119.300 0.006 0.000 3.414 1247 C HA 0.450 4.908 4.460 -0.004 0.000 0.208 1247 C C -2.202 172.787 174.990 -0.002 0.000 1.422 1247 C CA -1.941 57.083 59.018 0.009 0.000 1.437 1247 C CB 0.332 28.086 27.740 0.022 0.000 1.850 1247 C HN 0.054 nan 8.230 nan 0.000 0.481 1248 P HA 0.089 nan 4.420 nan 0.000 0.271 1248 P C -0.342 176.923 177.300 -0.057 0.000 1.226 1248 P CA 0.628 63.710 63.100 -0.029 0.000 0.765 1248 P CB 0.687 32.374 31.700 -0.021 0.000 0.835 1249 N N 3.532 122.169 118.700 -0.105 0.000 2.399 1249 N HA -0.019 4.719 4.740 -0.004 0.000 0.259 1249 N C 1.243 176.644 175.510 -0.180 0.000 1.160 1249 N CA 0.025 52.957 53.050 -0.197 0.000 0.946 1249 N CB 0.317 38.578 38.487 -0.377 0.000 1.156 1249 N HN 0.301 nan 8.380 nan 0.000 0.489 1250 K N 3.516 123.834 120.400 -0.137 0.000 2.032 1250 K HA -0.218 4.099 4.320 -0.004 0.000 0.218 1250 K C 0.541 177.066 176.600 -0.125 0.000 1.054 1250 K CA 1.448 57.674 56.287 -0.102 0.000 0.941 1250 K CB 0.088 32.545 32.500 -0.072 0.000 0.720 1250 K HN 0.523 nan 8.250 nan 0.000 0.449 1251 K N -0.332 119.946 120.400 -0.202 0.000 2.486 1251 K HA 0.064 4.381 4.320 -0.004 0.000 0.194 1251 K C 0.608 177.207 176.600 -0.001 0.000 1.033 1251 K CA 0.501 56.691 56.287 -0.160 0.000 1.004 1251 K CB 0.469 32.673 32.500 -0.493 0.000 0.798 1251 K HN 0.202 nan 8.250 nan 0.000 0.495 1252 A N 1.024 123.758 122.820 -0.143 0.000 2.527 1252 A HA 0.469 4.786 4.320 -0.004 0.000 0.293 1252 A C -0.745 176.733 177.584 -0.177 0.000 1.117 1252 A CA -0.913 51.061 52.037 -0.105 0.000 0.723 1252 A CB 0.926 19.883 19.000 -0.072 0.000 1.313 1252 A HN 0.144 nan 8.150 nan 0.000 0.411 1253 I N 1.087 121.518 120.570 -0.231 0.000 2.919 1253 I HA -0.005 4.163 4.170 -0.004 0.000 0.299 1253 I C 0.087 176.081 176.117 -0.205 0.000 1.221 1253 I CA 1.384 62.468 61.300 -0.359 0.000 1.424 1253 I CB -0.991 36.781 38.000 -0.380 0.000 1.358 1253 I HN 0.627 nan 8.210 nan 0.000 0.551 1254 Y N 5.665 125.851 120.300 -0.190 0.000 3.396 1254 Y HA -0.290 4.258 4.550 -0.004 0.000 0.214 1254 Y C 1.403 177.240 175.900 -0.105 0.000 1.203 1254 Y CA 0.445 58.464 58.100 -0.134 0.000 1.401 1254 Y CB -1.745 36.653 38.460 -0.103 0.000 1.409 1254 Y HN 1.045 nan 8.280 nan 0.000 0.594 1255 A N -1.083 121.733 122.820 -0.008 0.000 2.847 1255 A HA -0.242 4.075 4.320 -0.004 0.000 0.263 1255 A C 0.897 178.440 177.584 -0.069 0.000 1.391 1255 A CA 1.021 53.026 52.037 -0.052 0.000 0.866 1255 A CB -1.928 17.056 19.000 -0.027 0.000 1.057 1255 A HN 1.210 nan 8.150 nan 0.000 0.673 1256 S N -1.215 114.448 115.700 -0.062 0.000 2.707 1256 S HA 0.801 5.269 4.470 -0.004 0.000 0.276 1256 S C -0.189 174.358 174.600 -0.089 0.000 1.179 1256 S CA -0.363 57.812 58.200 -0.042 0.000 0.992 1256 S CB 1.634 64.836 63.200 0.004 0.000 1.030 1256 S HN 0.524 nan 8.310 nan 0.000 0.554 1257 K N -0.036 120.357 120.400 -0.012 0.000 2.426 1257 K HA 0.650 4.967 4.320 -0.004 0.000 0.251 1257 K C -0.492 176.216 176.600 0.180 0.000 0.941 1257 K CA -0.836 55.506 56.287 0.092 0.000 0.808 1257 K CB 2.097 34.666 32.500 0.116 0.000 1.265 1257 K HN 0.866 nan 8.250 nan 0.000 0.432 1258 A N 1.212 124.201 122.820 0.282 0.000 2.587 1258 A HA 0.023 4.340 4.320 -0.004 0.000 0.233 1258 A C 0.668 178.307 177.584 0.092 0.000 1.049 1258 A CA 0.268 52.385 52.037 0.133 0.000 0.754 1258 A CB 0.271 19.311 19.000 0.065 0.000 0.977 1258 A HN 0.586 nan 8.150 nan 0.000 0.509 1259 V N 2.402 122.346 119.914 0.051 0.000 3.380 1259 V HA 0.258 4.376 4.120 -0.004 0.000 0.277 1259 V C 1.609 177.711 176.094 0.013 0.000 1.590 1259 V CA 1.489 63.812 62.300 0.038 0.000 1.019 1259 V CB -0.213 31.638 31.823 0.047 0.000 0.828 1259 V HN 1.138 nan 8.190 nan 0.000 0.427 1260 G N 0.522 109.324 108.800 0.003 0.000 2.484 1260 G HA2 -0.205 3.752 3.960 -0.004 0.000 0.215 1260 G HA3 -0.205 3.752 3.960 -0.004 0.000 0.215 1260 G C 1.162 176.047 174.900 -0.024 0.000 1.219 1260 G CA 1.390 46.498 45.100 0.013 0.000 0.791 1260 G HN 0.597 nan 8.290 nan 0.000 0.550 1261 E N 0.700 120.818 120.200 -0.137 0.000 2.140 1261 E HA 0.006 4.353 4.350 -0.004 0.000 0.191 1261 E C -0.138 176.146 176.600 -0.527 0.000 0.973 1261 E CA 0.282 56.494 56.400 -0.314 0.000 0.829 1261 E CB -0.255 29.164 29.700 -0.468 0.000 0.781 1261 E HN 0.299 nan 8.360 nan 0.000 0.466 1262 P HA -0.177 nan 4.420 nan 0.000 0.218 1262 P C -1.625 175.630 177.300 -0.075 0.000 1.154 1262 P CA 1.888 64.785 63.100 -0.338 0.000 0.872 1262 P CB -0.907 30.752 31.700 -0.069 0.000 0.790 1263 P HA -0.023 nan 4.420 nan 0.000 0.229 1263 P C 1.593 178.975 177.300 0.138 0.000 1.160 1263 P CA 0.517 63.681 63.100 0.106 0.000 0.777 1263 P CB -0.419 31.355 31.700 0.123 0.000 0.814 1264 L N -0.992 120.271 121.223 0.066 0.000 2.012 1264 L HA -0.177 4.161 4.340 -0.004 0.000 0.210 1264 L C 2.190 179.142 176.870 0.137 0.000 1.073 1264 L CA 1.703 56.582 54.840 0.066 0.000 0.748 1264 L CB -0.774 41.286 42.059 0.002 0.000 0.891 1264 L HN -0.100 nan 8.230 nan 0.000 0.431 1265 F N 0.005 120.009 119.950 0.090 0.000 2.408 1265 F HA -0.159 4.366 4.527 -0.004 0.000 0.300 1265 F C 1.732 177.655 175.800 0.205 0.000 1.090 1265 F CA 1.177 59.300 58.000 0.205 0.000 1.427 1265 F CB -0.249 38.863 39.000 0.186 0.000 1.070 1265 F HN 0.020 nan 8.300 nan 0.000 0.549 1266 L N -0.110 121.082 121.223 -0.052 0.000 2.551 1266 L HA -0.016 4.322 4.340 -0.004 0.000 0.228 1266 L C 2.603 179.488 176.870 0.025 0.000 1.153 1266 L CA 0.663 55.472 54.840 -0.051 0.000 0.851 1266 L CB -1.429 40.753 42.059 0.205 0.000 0.959 1266 L HN 0.325 nan 8.230 nan 0.000 0.451 1267 G N 0.204 108.907 108.800 -0.161 0.000 2.479 1267 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.220 1267 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.220 1267 G C 1.742 176.485 174.900 -0.262 0.000 1.115 1267 G CA 0.781 45.549 45.100 -0.554 0.000 0.757 1267 G HN 0.476 nan 8.290 nan 0.000 0.560 1268 A N 1.325 123.917 122.820 -0.379 0.000 2.067 1268 A HA 0.035 4.353 4.320 -0.004 0.000 0.219 1268 A C 2.676 180.177 177.584 -0.139 0.000 1.158 1268 A CA 2.042 53.690 52.037 -0.648 0.000 0.661 1268 A CB -0.595 17.703 19.000 -1.169 0.000 0.801 1268 A HN 0.726 nan 8.150 nan 0.000 0.452 1269 S N -0.049 115.623 115.700 -0.047 0.000 2.420 1269 S HA -0.162 4.305 4.470 -0.004 0.000 0.237 1269 S C 1.702 176.371 174.600 0.116 0.000 1.023 1269 S CA 1.521 59.789 58.200 0.113 0.000 0.991 1269 S CB -1.003 62.264 63.200 0.111 0.000 0.792 1269 S HN 0.281 nan 8.310 nan 0.000 0.488 1270 V N 1.082 121.037 119.914 0.067 0.000 2.295 1270 V HA -0.117 4.001 4.120 -0.004 0.000 0.246 1270 V C 2.087 178.151 176.094 -0.049 0.000 1.049 1270 V CA 2.108 64.423 62.300 0.025 0.000 1.024 1270 V CB -1.161 30.662 31.823 0.001 0.000 0.648 1270 V HN 0.533 nan 8.190 nan 0.000 0.447 1271 F N 0.696 120.495 119.950 -0.251 0.000 2.043 1271 F HA -0.261 4.264 4.527 -0.004 0.000 0.297 1271 F C 2.086 177.657 175.800 -0.383 0.000 1.121 1271 F CA 2.114 59.876 58.000 -0.397 0.000 1.199 1271 F CB -0.494 38.105 39.000 -0.668 0.000 0.968 1271 F HN 0.126 nan 8.300 nan 0.000 0.478 1272 F N -0.047 119.977 119.950 0.124 0.000 2.293 1272 F HA -0.050 4.475 4.527 -0.004 0.000 0.300 1272 F C 2.415 178.193 175.800 -0.036 0.000 1.086 1272 F CA 0.728 58.758 58.000 0.051 0.000 1.375 1272 F CB -0.999 38.053 39.000 0.087 0.000 1.045 1272 F HN 0.086 nan 8.300 nan 0.000 0.516 1273 A N 0.486 123.355 122.820 0.082 0.000 1.898 1273 A HA -0.111 4.207 4.320 -0.004 0.000 0.216 1273 A C 2.168 179.716 177.584 -0.060 0.000 1.181 1273 A CA 1.308 53.360 52.037 0.026 0.000 0.620 1273 A CB -0.962 18.052 19.000 0.022 0.000 0.819 1273 A HN 0.361 nan 8.150 nan 0.000 0.442 1274 I N -0.487 119.978 120.570 -0.176 0.000 2.264 1274 I HA -0.275 3.893 4.170 -0.004 0.000 0.248 1274 I C 2.553 178.552 176.117 -0.197 0.000 1.111 1274 I CA 1.743 62.892 61.300 -0.251 0.000 1.382 1274 I CB -0.157 37.571 38.000 -0.453 0.000 1.060 1274 I HN 0.333 nan 8.210 nan 0.000 0.418 1275 K N 0.633 120.893 120.400 -0.234 0.000 2.097 1275 K HA -0.215 4.103 4.320 -0.004 0.000 0.205 1275 K C 1.631 178.283 176.600 0.086 0.000 1.050 1275 K CA 1.751 57.986 56.287 -0.087 0.000 0.938 1275 K CB -0.043 32.386 32.500 -0.118 0.000 0.718 1275 K HN 0.181 nan 8.250 nan 0.000 0.442 1276 D N 0.141 120.580 120.400 0.065 0.000 2.106 1276 D HA -0.168 4.469 4.640 -0.004 0.000 0.191 1276 D C 1.686 178.023 176.300 0.061 0.000 0.997 1276 D CA 1.733 55.781 54.000 0.079 0.000 0.834 1276 D CB -0.081 40.756 40.800 0.063 0.000 0.956 1276 D HN 0.321 nan 8.370 nan 0.000 0.448 1277 A N -0.008 122.827 122.820 0.024 0.000 1.933 1277 A HA -0.141 4.176 4.320 -0.004 0.000 0.218 1277 A C 2.318 179.921 177.584 0.032 0.000 1.175 1277 A CA 0.988 53.039 52.037 0.024 0.000 0.628 1277 A CB -0.698 18.301 19.000 -0.000 0.000 0.814 1277 A HN 0.272 nan 8.150 nan 0.000 0.444 1278 I N -1.211 119.375 120.570 0.026 0.000 2.202 1278 I HA -0.235 3.933 4.170 -0.004 0.000 0.242 1278 I C 2.686 178.798 176.117 -0.007 0.000 1.091 1278 I CA 1.658 62.959 61.300 0.003 0.000 1.368 1278 I CB -0.279 37.726 38.000 0.009 0.000 1.058 1278 I HN 0.367 nan 8.210 nan 0.000 0.410 1279 R N 1.333 121.896 120.500 0.105 0.000 2.105 1279 R HA -0.183 4.155 4.340 -0.004 0.000 0.239 1279 R C 2.232 178.563 176.300 0.051 0.000 1.135 1279 R CA 1.698 57.877 56.100 0.133 0.000 0.967 1279 R CB -0.251 30.191 30.300 0.237 0.000 0.861 1279 R HN 0.366 nan 8.270 nan 0.000 0.442 1280 A N -0.014 122.831 122.820 0.042 0.000 2.014 1280 A HA 0.051 4.368 4.320 -0.004 0.000 0.218 1280 A C 2.212 179.785 177.584 -0.018 0.000 1.163 1280 A CA 1.272 53.318 52.037 0.015 0.000 0.652 1280 A CB -0.487 18.532 19.000 0.032 0.000 0.808 1280 A HN 0.523 nan 8.150 nan 0.000 0.449 1281 A N 0.119 122.937 122.820 -0.003 0.000 1.898 1281 A HA -0.053 4.265 4.320 -0.004 0.000 0.214 1281 A C 2.193 179.769 177.584 -0.013 0.000 1.183 1281 A CA 1.194 53.239 52.037 0.014 0.000 0.622 1281 A CB -0.364 18.678 19.000 0.069 0.000 0.824 1281 A HN 0.506 nan 8.150 nan 0.000 0.444 1282 R N -0.250 120.221 120.500 -0.048 0.000 2.115 1282 R HA -0.021 4.317 4.340 -0.004 0.000 0.230 1282 R C 2.331 178.599 176.300 -0.054 0.000 1.111 1282 R CA 1.078 57.138 56.100 -0.067 0.000 0.976 1282 R CB -0.405 29.802 30.300 -0.155 0.000 0.870 1282 R HN 0.492 nan 8.270 nan 0.000 0.445 1283 A N 0.856 123.644 122.820 -0.053 0.000 1.969 1283 A HA -0.231 4.087 4.320 -0.004 0.000 0.218 1283 A C 2.102 179.619 177.584 -0.113 0.000 1.169 1283 A CA 1.385 53.389 52.037 -0.055 0.000 0.635 1283 A CB -0.300 18.680 19.000 -0.034 0.000 0.810 1283 A HN 0.300 nan 8.150 nan 0.000 0.445 1284 Q N -1.162 118.522 119.800 -0.192 0.000 1.994 1284 Q HA -0.142 4.195 4.340 -0.004 0.000 0.198 1284 Q C 1.888 177.631 176.000 -0.428 0.000 0.976 1284 Q CA 1.834 57.410 55.803 -0.378 0.000 0.828 1284 Q CB -0.196 28.198 28.738 -0.573 0.000 0.894 1284 Q HN 0.728 nan 8.270 nan 0.000 0.432 1285 H N -0.701 118.299 119.070 -0.117 0.000 2.516 1285 H HA 0.161 4.715 4.556 -0.004 0.000 0.284 1285 H C 1.295 176.590 175.328 -0.056 0.000 0.999 1285 H CA 1.176 57.164 56.048 -0.099 0.000 1.303 1285 H CB -0.056 29.660 29.762 -0.077 0.000 1.452 1285 H HN 0.474 nan 8.280 nan 0.000 0.530 1286 T N 0.836 115.419 114.554 0.049 0.000 3.560 1286 T HA -0.001 4.347 4.350 -0.004 0.000 0.350 1286 T C 1.453 176.153 174.700 -0.000 0.000 1.264 1286 T CA -0.230 61.881 62.100 0.019 0.000 0.924 1286 T CB 0.329 69.193 68.868 -0.006 0.000 1.997 1286 T HN 0.305 nan 8.240 nan 0.000 0.553 1287 N N 1.636 120.337 118.700 0.000 0.000 2.188 1287 N HA 0.040 4.777 4.740 -0.004 0.000 0.253 1287 N C 0.745 176.249 175.510 -0.010 0.000 1.260 1287 N CA 0.554 53.603 53.050 -0.001 0.000 0.915 1287 N CB -0.713 37.781 38.487 0.011 0.000 0.976 1287 N HN 0.742 nan 8.380 nan 0.000 0.424 1288 N N -1.973 116.726 118.700 -0.001 0.000 3.013 1288 N HA -0.060 4.678 4.740 -0.004 0.000 0.250 1288 N C -0.698 174.824 175.510 0.020 0.000 0.997 1288 N CA -0.137 52.912 53.050 -0.001 0.000 1.052 1288 N CB -0.672 37.812 38.487 -0.006 0.000 1.663 1288 N HN 0.573 nan 8.380 nan 0.000 0.641 1289 N N 2.735 121.451 118.700 0.026 0.000 2.903 1289 N HA -0.187 4.550 4.740 -0.004 0.000 0.296 1289 N C 0.873 176.419 175.510 0.059 0.000 1.037 1289 N CA 0.763 53.838 53.050 0.042 0.000 0.841 1289 N CB -0.530 37.984 38.487 0.045 0.000 0.958 1289 N HN 0.405 nan 8.380 nan 0.000 0.605 1290 T N -0.299 114.288 114.554 0.055 0.000 2.699 1290 T HA -0.238 4.110 4.350 -0.004 0.000 0.268 1290 T C 1.280 176.034 174.700 0.090 0.000 1.036 1290 T CA 1.540 63.681 62.100 0.068 0.000 1.147 1290 T CB -0.214 68.687 68.868 0.055 0.000 0.862 1290 T HN 0.515 nan 8.240 nan 0.000 0.446 1291 K N 1.784 122.234 120.400 0.084 0.000 2.632 1291 K HA 0.120 4.437 4.320 -0.004 0.000 0.196 1291 K C 0.772 177.437 176.600 0.108 0.000 1.023 1291 K CA -0.025 56.319 56.287 0.094 0.000 1.098 1291 K CB 0.039 32.591 32.500 0.087 0.000 0.862 1291 K HN 0.499 nan 8.250 nan 0.000 0.504 1292 E N 1.937 122.210 120.200 0.122 0.000 2.257 1292 E HA 0.064 4.411 4.350 -0.004 0.000 0.278 1292 E C -0.875 175.851 176.600 0.210 0.000 1.049 1292 E CA -0.046 56.444 56.400 0.150 0.000 0.876 1292 E CB 0.489 30.275 29.700 0.142 0.000 1.035 1292 E HN 0.171 nan 8.360 nan 0.000 0.419 1293 L N 5.687 127.021 121.223 0.186 0.000 2.331 1293 L HA 0.553 4.891 4.340 -0.004 0.000 0.275 1293 L C -0.221 176.788 176.870 0.231 0.000 1.022 1293 L CA -1.078 53.851 54.840 0.148 0.000 0.812 1293 L CB 0.843 42.951 42.059 0.081 0.000 1.257 1293 L HN 0.449 nan 8.230 nan 0.000 0.435 1294 F N -0.679 119.334 119.950 0.104 0.000 2.613 1294 F HA 0.633 5.158 4.527 -0.004 0.000 0.310 1294 F C -0.497 175.383 175.800 0.133 0.000 1.085 1294 F CA -1.241 56.820 58.000 0.102 0.000 0.945 1294 F CB 1.425 40.475 39.000 0.084 0.000 1.298 1294 F HN 0.290 nan 8.300 nan 0.000 0.455 1295 R N 2.307 122.921 120.500 0.189 0.000 2.298 1295 R HA 0.578 4.916 4.340 -0.004 0.000 0.310 1295 R C -1.684 174.764 176.300 0.247 0.000 1.068 1295 R CA -0.659 55.538 56.100 0.162 0.000 0.957 1295 R CB 0.903 31.320 30.300 0.195 0.000 1.003 1295 R HN 0.810 nan 8.270 nan 0.000 0.454 1296 L N 5.221 126.572 121.223 0.213 0.000 2.353 1296 L HA 0.337 4.674 4.340 -0.004 0.000 0.270 1296 L C -1.140 176.011 176.870 0.469 0.000 1.003 1296 L CA -0.446 54.595 54.840 0.335 0.000 0.862 1296 L CB 1.316 43.534 42.059 0.266 0.000 1.221 1296 L HN 0.624 nan 8.230 nan 0.000 0.430 1297 D N 1.570 122.218 120.400 0.414 0.000 2.357 1297 D HA 0.147 4.785 4.640 -0.004 0.000 0.242 1297 D C -0.165 176.398 176.300 0.438 0.000 1.153 1297 D CA 0.164 54.428 54.000 0.439 0.000 0.918 1297 D CB 1.455 42.494 40.800 0.397 0.000 1.181 1297 D HN 0.435 nan 8.370 nan 0.000 0.435 1298 S N 0.725 116.560 115.700 0.225 0.000 2.554 1298 S HA 0.447 4.915 4.470 -0.004 0.000 0.278 1298 S C -2.536 172.086 174.600 0.037 0.000 1.242 1298 S CA -1.423 56.754 58.200 -0.038 0.000 1.051 1298 S CB 0.966 63.753 63.200 -0.688 0.000 0.986 1298 S HN 0.179 nan 8.310 nan 0.000 0.502 1299 P HA 0.250 nan 4.420 nan 0.000 0.278 1299 P C -1.312 176.105 177.300 0.195 0.000 1.238 1299 P CA -0.528 62.618 63.100 0.077 0.000 0.794 1299 P CB 0.790 32.488 31.700 -0.004 0.000 0.955 1300 A N 2.652 125.635 122.820 0.272 0.000 2.922 1300 A HA 0.387 4.704 4.320 -0.004 0.000 0.298 1300 A C 0.945 178.553 177.584 0.039 0.000 1.588 1300 A CA -0.206 51.913 52.037 0.136 0.000 1.288 1300 A CB -1.300 17.642 19.000 -0.097 0.000 1.130 1300 A HN 0.600 nan 8.150 nan 0.000 0.557 1301 T N -0.217 114.368 114.554 0.052 0.000 2.816 1301 T HA 0.371 4.719 4.350 -0.004 0.000 0.282 1301 T C -1.678 173.039 174.700 0.027 0.000 0.993 1301 T CA -1.453 60.666 62.100 0.031 0.000 0.994 1301 T CB 0.500 69.381 68.868 0.021 0.000 1.025 1301 T HN 0.178 nan 8.240 nan 0.000 0.529 1302 P HA -0.172 nan 4.420 nan 0.000 0.217 1302 P C 1.477 178.787 177.300 0.016 0.000 1.151 1302 P CA 1.283 64.400 63.100 0.030 0.000 0.849 1302 P CB 0.057 31.767 31.700 0.016 0.000 0.787 1303 E N 0.082 120.288 120.200 0.011 0.000 2.072 1303 E HA -0.210 4.138 4.350 -0.004 0.000 0.191 1303 E C 1.779 178.395 176.600 0.027 0.000 0.985 1303 E CA 1.200 57.607 56.400 0.011 0.000 0.801 1303 E CB -0.147 29.555 29.700 0.003 0.000 0.750 1303 E HN 0.171 nan 8.360 nan 0.000 0.452 1304 K N 0.219 120.643 120.400 0.040 0.000 2.057 1304 K HA -0.099 4.219 4.320 -0.004 0.000 0.206 1304 K C 2.298 178.924 176.600 0.043 0.000 1.050 1304 K CA 1.257 57.581 56.287 0.061 0.000 0.935 1304 K CB -0.131 32.424 32.500 0.091 0.000 0.715 1304 K HN 0.247 nan 8.250 nan 0.000 0.439 1305 I N 0.661 121.241 120.570 0.015 0.000 2.226 1305 I HA -0.264 3.904 4.170 -0.004 0.000 0.245 1305 I C 2.589 178.710 176.117 0.006 0.000 1.100 1305 I CA 0.978 62.273 61.300 -0.008 0.000 1.374 1305 I CB -0.178 37.804 38.000 -0.030 0.000 1.057 1305 I HN 0.053 nan 8.210 nan 0.000 0.413 1306 R N 1.567 122.077 120.500 0.016 0.000 2.066 1306 R HA -0.123 4.215 4.340 -0.004 0.000 0.232 1306 R C 1.920 178.233 176.300 0.023 0.000 1.131 1306 R CA 1.675 57.788 56.100 0.021 0.000 0.955 1306 R CB -0.552 29.756 30.300 0.013 0.000 0.851 1306 R HN 0.264 nan 8.270 nan 0.000 0.432 1307 N N 0.078 118.792 118.700 0.023 0.000 2.309 1307 N HA -0.061 4.676 4.740 -0.004 0.000 0.182 1307 N C 1.177 176.693 175.510 0.011 0.000 1.018 1307 N CA 1.425 54.490 53.050 0.027 0.000 0.876 1307 N CB -0.220 38.290 38.487 0.037 0.000 0.972 1307 N HN 0.365 nan 8.380 nan 0.000 0.434 1308 A N -0.604 122.211 122.820 -0.008 0.000 2.123 1308 A HA 0.044 4.362 4.320 -0.004 0.000 0.214 1308 A C 1.038 178.532 177.584 -0.150 0.000 1.152 1308 A CA 0.181 52.163 52.037 -0.091 0.000 0.728 1308 A CB -0.166 18.785 19.000 -0.081 0.000 0.814 1308 A HN 0.313 nan 8.150 nan 0.000 0.464 1309 C N 1.959 121.226 119.300 -0.055 0.000 2.861 1309 C HA 0.402 4.860 4.460 -0.004 0.000 0.542 1309 C C 0.646 175.657 174.990 0.036 0.000 1.074 1309 C CA -1.058 57.957 59.018 -0.005 0.000 1.232 1309 C CB -2.183 25.591 27.740 0.057 0.000 1.433 1309 C HN 0.316 nan 8.230 nan 0.000 0.606 1310 V N 4.293 124.207 119.914 -0.001 0.000 2.599 1310 V HA 0.245 4.363 4.120 -0.004 0.000 0.300 1310 V C 0.281 176.415 176.094 0.067 0.000 1.034 1310 V CA 0.986 63.301 62.300 0.025 0.000 1.115 1310 V CB 0.296 32.115 31.823 -0.007 0.000 0.934 1310 V HN 0.883 nan 8.190 nan 0.000 0.485 1311 D N 2.744 123.186 120.400 0.071 0.000 2.865 1311 D HA 0.155 4.793 4.640 -0.004 0.000 0.343 1311 D C 0.615 176.905 176.300 -0.016 0.000 1.372 1311 D CA -0.401 53.636 54.000 0.063 0.000 0.862 1311 D CB 0.629 41.481 40.800 0.087 0.000 1.425 1311 D HN 0.359 nan 8.370 nan 0.000 0.501 1312 K N -0.301 120.012 120.400 -0.145 0.000 2.218 1312 K HA -0.106 4.212 4.320 -0.004 0.000 0.205 1312 K C 1.260 177.598 176.600 -0.437 0.000 1.046 1312 K CA 1.411 57.485 56.287 -0.356 0.000 0.933 1312 K CB -0.549 31.666 32.500 -0.475 0.000 0.728 1312 K HN 0.317 nan 8.250 nan 0.000 0.454 1313 F N 2.312 122.259 119.950 -0.005 0.000 2.220 1313 F HA -0.046 4.478 4.527 -0.004 0.000 0.290 1313 F C 2.965 178.754 175.800 -0.019 0.000 1.080 1313 F CA 1.149 59.129 58.000 -0.032 0.000 1.318 1313 F CB -0.874 38.080 39.000 -0.077 0.000 1.063 1313 F HN 0.104 nan 8.300 nan 0.000 0.498 1314 T N -1.813 112.837 114.554 0.160 0.000 2.759 1314 T HA -0.134 4.214 4.350 -0.004 0.000 0.269 1314 T C 1.276 176.006 174.700 0.049 0.000 1.042 1314 T CA 1.277 63.430 62.100 0.088 0.000 1.140 1314 T CB -1.464 67.446 68.868 0.071 0.000 0.864 1314 T HN 0.313 nan 8.240 nan 0.000 0.455 1315 T N 0.000 114.570 114.554 0.026 0.000 3.816 1315 T HA 0.000 4.348 4.350 -0.004 0.000 0.228 1315 T CA 0.000 62.104 62.100 0.007 0.000 1.349 1315 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658