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 3nvw_1_L 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 0.000 176.256 176.300 -0.073 0.000 2.045 571 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.087 0.000 0.688 572 T N -0.416 114.094 114.554 -0.073 0.000 3.069 572 T HA 0.229 4.578 4.350 -0.000 0.000 0.252 572 T C 0.790 175.448 174.700 -0.070 0.000 1.053 572 T CA -0.048 62.017 62.100 -0.059 0.000 0.964 572 T CB 0.010 68.853 68.868 -0.041 0.000 1.005 572 T HN 0.137 nan 8.240 nan 0.000 0.532 573 V N 2.339 122.186 119.914 -0.111 0.000 2.493 573 V HA 0.442 4.561 4.120 -0.000 0.000 0.292 573 V C 1.704 177.738 176.094 -0.100 0.000 1.016 573 V CA 1.312 63.535 62.300 -0.129 0.000 1.097 573 V CB -0.210 31.451 31.823 -0.270 0.000 0.947 573 V HN 0.869 nan 8.190 nan 0.000 0.479 574 G N 4.594 113.357 108.800 -0.062 0.000 2.175 574 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 574 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 574 G C 0.293 175.172 174.900 -0.034 0.000 0.982 574 G CA -0.051 45.023 45.100 -0.044 0.000 0.641 574 G HN 0.601 nan 8.290 nan 0.000 0.527 575 R N 0.852 121.332 120.500 -0.034 0.000 2.486 575 R HA 0.441 4.781 4.340 -0.000 0.000 0.286 575 R C -2.252 174.039 176.300 -0.016 0.000 0.999 575 R CA -1.677 54.408 56.100 -0.025 0.000 0.993 575 R CB 1.419 31.704 30.300 -0.026 0.000 1.084 575 R HN 0.029 nan 8.270 nan 0.000 0.487 576 P HA 0.012 nan 4.420 nan 0.000 0.225 576 P C -0.547 176.755 177.300 0.003 0.000 1.768 576 P CA -0.181 62.917 63.100 -0.004 0.000 0.943 576 P CB -0.145 31.552 31.700 -0.004 0.000 1.936 577 L N 3.000 124.224 121.223 0.001 0.000 2.410 577 L HA 0.318 4.657 4.340 -0.000 0.000 0.273 577 L C -2.289 174.595 176.870 0.024 0.000 1.144 577 L CA -1.815 53.030 54.840 0.008 0.000 0.863 577 L CB -0.388 41.670 42.059 -0.001 0.000 1.140 577 L HN -0.002 nan 8.230 nan 0.000 0.463 578 P HA -0.028 nan 4.420 nan 0.000 0.267 578 P C -0.777 176.584 177.300 0.102 0.000 1.200 578 P CA -0.042 63.101 63.100 0.071 0.000 0.772 578 P CB 0.205 31.946 31.700 0.068 0.000 0.855 579 H N 2.865 121.951 119.070 0.026 0.000 3.195 579 H HA -0.080 4.476 4.556 -0.001 0.000 0.302 579 H C 1.151 176.500 175.328 0.034 0.000 0.950 579 H CA 0.763 56.829 56.048 0.030 0.000 1.398 579 H CB 0.361 30.143 29.762 0.033 0.000 1.377 579 H HN 0.393 nan 8.280 nan 0.000 0.572 580 L N 4.271 125.547 121.223 0.088 0.000 2.127 580 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 580 L C 2.327 179.327 176.870 0.216 0.000 1.089 580 L CA 1.519 56.431 54.840 0.120 0.000 0.757 580 L CB -0.329 41.750 42.059 0.032 0.000 0.899 580 L HN 0.651 nan 8.230 nan 0.000 0.434 581 A N -0.902 122.170 122.820 0.420 0.000 2.308 581 A HA 0.341 4.660 4.320 -0.000 0.000 0.217 581 A C 2.326 179.972 177.584 0.104 0.000 1.216 581 A CA 0.697 52.869 52.037 0.226 0.000 0.864 581 A CB -0.206 18.914 19.000 0.199 0.000 0.902 581 A HN 0.301 nan 8.150 nan 0.000 0.499 582 A N 0.367 123.256 122.820 0.115 0.000 1.908 582 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 582 A C 2.412 180.019 177.584 0.038 0.000 1.181 582 A CA 1.943 53.992 52.037 0.020 0.000 0.627 582 A CB -0.802 18.229 19.000 0.052 0.000 0.818 582 A HN 1.005 nan 8.150 nan 0.000 0.445 583 A N -0.644 122.210 122.820 0.057 0.000 1.930 583 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 583 A C 2.222 179.833 177.584 0.045 0.000 1.175 583 A CA 1.728 53.794 52.037 0.048 0.000 0.627 583 A CB -0.498 18.530 19.000 0.048 0.000 0.815 583 A HN 0.535 nan 8.150 nan 0.000 0.443 584 M N -1.103 118.527 119.600 0.049 0.000 2.319 584 M HA -0.136 4.343 4.480 -0.000 0.000 0.265 584 M C 2.267 178.598 176.300 0.052 0.000 1.068 584 M CA 1.103 56.429 55.300 0.044 0.000 1.118 584 M CB -0.271 32.354 32.600 0.041 0.000 1.395 584 M HN 0.486 nan 8.290 nan 0.000 0.435 585 Q N 0.281 120.111 119.800 0.051 0.000 2.083 585 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 585 Q C 2.283 178.328 176.000 0.075 0.000 0.969 585 Q CA 1.569 57.421 55.803 0.081 0.000 0.838 585 Q CB -0.209 28.559 28.738 0.050 0.000 0.900 585 Q HN 0.573 nan 8.270 nan 0.000 0.436 586 A N 0.858 123.710 122.820 0.052 0.000 2.019 586 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 586 A C 2.113 179.725 177.584 0.046 0.000 1.164 586 A CA 1.672 53.738 52.037 0.048 0.000 0.644 586 A CB -0.371 18.654 19.000 0.042 0.000 0.805 586 A HN 0.410 nan 8.150 nan 0.000 0.449 587 S N -2.256 113.472 115.700 0.046 0.000 2.575 587 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 587 S C 1.395 176.022 174.600 0.045 0.000 0.966 587 S CA 1.028 59.252 58.200 0.040 0.000 0.911 587 S CB -0.216 63.004 63.200 0.033 0.000 0.780 587 S HN 1.872 nan 8.310 nan 0.000 0.514 588 G N 1.269 110.106 108.800 0.062 0.000 2.153 588 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 588 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 588 G C 0.466 175.408 174.900 0.070 0.000 0.994 588 G CA 0.584 45.729 45.100 0.075 0.000 0.698 588 G HN 0.599 nan 8.290 nan 0.000 0.521 589 E N -0.037 120.196 120.200 0.055 0.000 2.318 589 E HA 0.387 4.737 4.350 -0.000 0.000 0.193 589 E C 1.825 178.440 176.600 0.024 0.000 0.998 589 E CA 0.325 56.746 56.400 0.035 0.000 0.859 589 E CB 0.146 29.860 29.700 0.025 0.000 0.812 589 E HN 0.779 nan 8.360 nan 0.000 0.492 590 A N 1.614 124.451 122.820 0.028 0.000 2.524 590 A HA 0.153 4.473 4.320 -0.000 0.000 0.250 590 A C 0.131 177.656 177.584 -0.099 0.000 1.078 590 A CA -0.058 51.942 52.037 -0.061 0.000 0.761 590 A CB 0.274 19.216 19.000 -0.096 0.000 1.012 590 A HN -0.002 nan 8.150 nan 0.000 0.500 591 V N 4.343 124.152 119.914 -0.175 0.000 2.383 591 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 591 V C -0.469 175.459 176.094 -0.278 0.000 1.036 591 V CA -0.114 62.114 62.300 -0.120 0.000 0.889 591 V CB 0.006 31.778 31.823 -0.085 0.000 0.985 591 V HN 0.747 nan 8.190 nan 0.000 0.459 592 Y N 1.794 122.086 120.300 -0.012 0.000 2.519 592 Y HA 0.337 4.887 4.550 -0.000 0.000 0.324 592 Y C 1.569 177.458 175.900 -0.019 0.000 1.214 592 Y CA -0.436 57.657 58.100 -0.012 0.000 1.260 592 Y CB 0.641 39.094 38.460 -0.011 0.000 1.311 592 Y HN 0.648 nan 8.280 nan 0.000 0.505 593 C N 0.678 120.069 119.300 0.150 0.000 2.376 593 C HA -0.279 4.181 4.460 -0.000 0.000 0.275 593 C C 2.480 177.504 174.990 0.057 0.000 1.200 593 C CA 2.505 61.573 59.018 0.082 0.000 1.756 593 C CB -0.872 26.923 27.740 0.092 0.000 2.050 593 C HN 1.086 nan 8.230 nan 0.000 0.460 594 D N -0.285 120.163 120.400 0.081 0.000 2.348 594 D HA -0.069 4.571 4.640 -0.000 0.000 0.216 594 D C 1.485 177.817 176.300 0.053 0.000 0.970 594 D CA 0.952 54.994 54.000 0.070 0.000 0.889 594 D CB -0.318 40.529 40.800 0.079 0.000 0.912 594 D HN 0.566 nan 8.370 nan 0.000 0.524 595 D N -0.244 120.192 120.400 0.060 0.000 2.347 595 D HA -0.012 4.628 4.640 -0.000 0.000 0.215 595 D C 0.650 176.936 176.300 -0.024 0.000 0.976 595 D CA 0.130 54.153 54.000 0.039 0.000 0.884 595 D CB 0.088 40.938 40.800 0.083 0.000 0.915 595 D HN 0.371 nan 8.370 nan 0.000 0.526 596 I N 2.605 123.132 120.570 -0.071 0.000 2.683 596 I HA -0.008 4.161 4.170 -0.000 0.000 0.286 596 I C -1.863 174.162 176.117 -0.155 0.000 1.175 596 I CA -1.427 59.771 61.300 -0.170 0.000 1.429 596 I CB 0.135 37.951 38.000 -0.306 0.000 1.371 596 I HN -0.283 nan 8.210 nan 0.000 0.569 597 P HA 0.091 nan 4.420 nan 0.000 0.268 597 P C -0.872 176.299 177.300 -0.215 0.000 1.208 597 P CA -0.106 62.896 63.100 -0.162 0.000 0.777 597 P CB 0.447 32.039 31.700 -0.180 0.000 0.875 598 R N 1.614 122.042 120.500 -0.121 0.000 2.357 598 R HA 0.313 4.653 4.340 -0.000 0.000 0.296 598 R C -0.087 176.144 176.300 -0.116 0.000 1.052 598 R CA -0.323 55.727 56.100 -0.084 0.000 0.988 598 R CB 0.109 30.445 30.300 0.060 0.000 1.025 598 R HN 0.459 nan 8.270 nan 0.000 0.469 599 Y N 1.620 121.906 120.300 -0.022 0.000 2.426 599 Y HA -0.140 4.409 4.550 -0.000 0.000 0.344 599 Y C 1.918 177.824 175.900 0.010 0.000 1.256 599 Y CA 0.297 58.390 58.100 -0.011 0.000 1.451 599 Y CB 0.717 39.166 38.460 -0.019 0.000 1.342 599 Y HN 0.706 nan 8.280 nan 0.000 0.600 600 E N 0.456 120.784 120.200 0.213 0.000 2.171 600 E HA -0.284 4.065 4.350 -0.000 0.000 0.197 600 E C 0.599 177.279 176.600 0.132 0.000 0.997 600 E CA 1.704 58.183 56.400 0.132 0.000 0.810 600 E CB -0.307 29.452 29.700 0.099 0.000 0.738 600 E HN 0.737 nan 8.360 nan 0.000 0.467 601 N N 0.978 119.756 118.700 0.131 0.000 2.214 601 N HA 0.005 4.744 4.740 -0.000 0.000 0.214 601 N C -0.380 175.264 175.510 0.224 0.000 1.132 601 N CA -0.133 53.007 53.050 0.151 0.000 0.856 601 N CB 0.234 38.702 38.487 -0.032 0.000 1.020 601 N HN 0.259 nan 8.380 nan 0.000 0.509 602 E N 1.062 121.350 120.200 0.148 0.000 2.316 602 E HA 0.247 4.597 4.350 -0.000 0.000 0.275 602 E C -0.538 176.007 176.600 -0.092 0.000 1.029 602 E CA -0.346 56.077 56.400 0.038 0.000 0.871 602 E CB 0.664 30.363 29.700 -0.001 0.000 1.022 602 E HN 0.221 nan 8.360 nan 0.000 0.418 603 L N 3.374 124.493 121.223 -0.173 0.000 2.335 603 L HA 0.564 4.904 4.340 -0.000 0.000 0.268 603 L C -0.643 175.936 176.870 -0.486 0.000 1.016 603 L CA -1.081 53.658 54.840 -0.167 0.000 0.805 603 L CB 0.828 42.845 42.059 -0.071 0.000 1.311 603 L HN 0.530 nan 8.230 nan 0.000 0.456 604 F N 0.704 120.676 119.950 0.037 0.000 2.540 604 F HA 0.563 5.090 4.527 -0.000 0.000 0.317 604 F C -0.334 175.489 175.800 0.039 0.000 1.104 604 F CA -0.473 57.555 58.000 0.046 0.000 0.913 604 F CB 1.914 40.943 39.000 0.048 0.000 1.170 604 F HN 0.144 nan 8.300 nan 0.000 0.450 605 L N 3.419 124.761 121.223 0.198 0.000 2.325 605 L HA 0.767 5.107 4.340 -0.000 0.000 0.278 605 L C -0.870 176.098 176.870 0.163 0.000 1.023 605 L CA -0.661 54.264 54.840 0.141 0.000 0.811 605 L CB 1.411 43.532 42.059 0.103 0.000 1.249 605 L HN 0.723 nan 8.230 nan 0.000 0.431 606 R N 4.126 124.714 120.500 0.146 0.000 2.513 606 R HA 0.558 4.898 4.340 -0.000 0.000 0.301 606 R C -1.490 174.894 176.300 0.140 0.000 0.968 606 R CA -0.473 55.715 56.100 0.147 0.000 0.872 606 R CB 1.283 31.675 30.300 0.154 0.000 1.177 606 R HN 0.689 nan 8.270 nan 0.000 0.444 607 L N 3.684 124.990 121.223 0.139 0.000 2.456 607 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 607 L C -0.304 176.652 176.870 0.143 0.000 1.189 607 L CA -0.484 54.439 54.840 0.140 0.000 0.846 607 L CB 1.073 43.221 42.059 0.148 0.000 1.111 607 L HN 0.331 nan 8.230 nan 0.000 0.475 608 V N 1.852 121.848 119.914 0.137 0.000 2.384 608 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 608 V C 0.261 176.441 176.094 0.144 0.000 1.020 608 V CA -0.411 61.987 62.300 0.163 0.000 0.850 608 V CB 1.602 33.580 31.823 0.258 0.000 0.987 608 V HN 0.943 nan 8.190 nan 0.000 0.436 609 T N 1.014 115.659 114.554 0.151 0.000 2.924 609 T HA 0.543 4.893 4.350 -0.000 0.000 0.291 609 T C -0.015 174.797 174.700 0.187 0.000 1.045 609 T CA -0.693 61.504 62.100 0.162 0.000 1.015 609 T CB 1.774 70.736 68.868 0.157 0.000 1.103 609 T HN 0.511 nan 8.240 nan 0.000 0.496 610 S N 0.550 116.377 115.700 0.212 0.000 2.549 610 S HA 0.255 4.725 4.470 -0.000 0.000 0.286 610 S C 1.363 176.039 174.600 0.126 0.000 1.314 610 S CA 0.094 58.438 58.200 0.240 0.000 1.062 610 S CB -0.058 63.293 63.200 0.251 0.000 0.865 610 S HN 0.981 nan 8.310 nan 0.000 0.498 611 T N 2.760 117.338 114.554 0.040 0.000 3.069 611 T HA 0.338 4.687 4.350 -0.000 0.000 0.252 611 T C 0.339 174.913 174.700 -0.210 0.000 1.053 611 T CA -0.384 61.681 62.100 -0.058 0.000 0.964 611 T CB 0.014 68.873 68.868 -0.016 0.000 1.005 611 T HN 0.425 nan 8.240 nan 0.000 0.532 612 R N 0.418 120.720 120.500 -0.330 0.000 2.637 612 R HA 0.753 5.093 4.340 -0.000 0.000 0.291 612 R C 1.060 177.310 176.300 -0.083 0.000 0.963 612 R CA -0.223 55.701 56.100 -0.293 0.000 0.901 612 R CB 1.346 31.317 30.300 -0.548 0.000 1.160 612 R HN 0.145 nan 8.270 nan 0.000 0.457 613 A N 1.300 124.098 122.820 -0.036 0.000 1.933 613 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 613 A C 0.300 177.949 177.584 0.109 0.000 1.175 613 A CA 1.610 53.660 52.037 0.020 0.000 0.628 613 A CB -0.228 18.772 19.000 0.001 0.000 0.814 613 A HN 0.668 nan 8.150 nan 0.000 0.444 614 H N -2.218 116.838 119.070 -0.024 0.000 3.179 614 H HA 0.617 5.173 4.556 -0.001 0.000 0.331 614 H C -0.956 174.386 175.328 0.024 0.000 1.013 614 H CA -0.440 55.616 56.048 0.012 0.000 1.430 614 H CB 0.833 30.593 29.762 -0.004 0.000 1.895 614 H HN 0.504 nan 8.280 nan 0.000 0.468 615 A N 4.149 126.979 122.820 0.017 0.000 2.608 615 A HA 0.511 4.831 4.320 -0.000 0.000 0.292 615 A C -1.229 176.398 177.584 0.072 0.000 1.066 615 A CA -1.022 51.014 52.037 -0.001 0.000 0.676 615 A CB 1.390 20.455 19.000 0.108 0.000 1.277 615 A HN 0.517 nan 8.150 nan 0.000 0.413 616 K N 0.946 121.373 120.400 0.044 0.000 2.270 616 K HA 0.458 4.778 4.320 -0.000 0.000 0.276 616 K C -0.725 175.931 176.600 0.092 0.000 1.023 616 K CA 0.039 56.361 56.287 0.058 0.000 0.955 616 K CB 0.883 33.394 32.500 0.018 0.000 0.975 616 K HN 0.532 nan 8.250 nan 0.000 0.471 617 I N 4.112 124.712 120.570 0.050 0.000 2.363 617 I HA -0.002 4.168 4.170 -0.000 0.000 0.292 617 I C 1.153 177.231 176.117 -0.065 0.000 1.075 617 I CA 0.058 61.328 61.300 -0.051 0.000 1.333 617 I CB 0.606 38.577 38.000 -0.049 0.000 1.415 617 I HN 0.564 nan 8.210 nan 0.000 0.502 618 K N 3.546 123.886 120.400 -0.101 0.000 2.098 618 K HA 0.054 4.373 4.320 -0.000 0.000 0.203 618 K C 0.459 177.007 176.600 -0.086 0.000 1.051 618 K CA 0.717 56.961 56.287 -0.071 0.000 0.957 618 K CB 0.216 32.682 32.500 -0.057 0.000 0.738 618 K HN 0.773 nan 8.250 nan 0.000 0.447 619 S N -0.378 115.241 115.700 -0.135 0.000 2.567 619 S HA 0.500 4.970 4.470 -0.000 0.000 0.270 619 S C -1.126 173.368 174.600 -0.177 0.000 1.152 619 S CA -1.093 57.031 58.200 -0.126 0.000 0.835 619 S CB 1.285 64.422 63.200 -0.105 0.000 1.115 619 S HN 0.059 nan 8.310 nan 0.000 0.459 620 I N 1.789 122.262 120.570 -0.161 0.000 2.466 620 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 620 I C -1.342 174.634 176.117 -0.235 0.000 1.026 620 I CA -0.369 60.796 61.300 -0.225 0.000 1.078 620 I CB 1.937 39.801 38.000 -0.225 0.000 1.249 620 I HN 0.683 nan 8.210 nan 0.000 0.429 621 D N 5.801 126.047 120.400 -0.257 0.000 2.381 621 D HA 0.290 4.930 4.640 -0.000 0.000 0.235 621 D C 0.376 176.502 176.300 -0.291 0.000 1.068 621 D CA -0.381 53.484 54.000 -0.226 0.000 0.832 621 D CB 2.182 42.881 40.800 -0.169 0.000 1.101 621 D HN 0.354 nan 8.370 nan 0.000 0.515 622 V N 1.715 121.451 119.914 -0.296 0.000 3.578 622 V HA 0.094 4.214 4.120 -0.000 0.000 0.290 622 V C 1.690 177.604 176.094 -0.299 0.000 1.376 622 V CA 0.769 62.868 62.300 -0.336 0.000 1.083 622 V CB -0.321 31.297 31.823 -0.342 0.000 0.911 622 V HN 0.465 nan 8.190 nan 0.000 0.433 623 S N 0.650 116.216 115.700 -0.224 0.000 2.400 623 S HA -0.207 4.263 4.470 -0.000 0.000 0.232 623 S C 1.731 176.203 174.600 -0.214 0.000 1.025 623 S CA 1.647 59.730 58.200 -0.195 0.000 0.993 623 S CB -0.465 62.654 63.200 -0.135 0.000 0.808 623 S HN 0.649 nan 8.310 nan 0.000 0.478 624 E N 1.852 121.930 120.200 -0.204 0.000 2.112 624 E HA 0.158 4.508 4.350 -0.000 0.000 0.190 624 E C 2.491 178.951 176.600 -0.233 0.000 0.979 624 E CA 1.046 57.339 56.400 -0.178 0.000 0.814 624 E CB -0.819 28.803 29.700 -0.130 0.000 0.762 624 E HN 0.638 nan 8.360 nan 0.000 0.460 625 A N 1.488 124.121 122.820 -0.311 0.000 1.940 625 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 625 A C 2.083 179.149 177.584 -0.864 0.000 1.176 625 A CA 1.564 53.344 52.037 -0.428 0.000 0.631 625 A CB -0.593 18.192 19.000 -0.359 0.000 0.814 625 A HN 0.232 nan 8.150 nan 0.000 0.446 626 Q N -0.575 118.652 119.800 -0.954 0.000 2.364 626 Q HA -0.126 4.214 4.340 -0.000 0.000 0.209 626 Q C 1.591 177.365 176.000 -0.375 0.000 0.977 626 Q CA 1.352 56.624 55.803 -0.885 0.000 0.885 626 Q CB -0.128 28.323 28.738 -0.478 0.000 0.941 626 Q HN 0.655 nan 8.270 nan 0.000 0.464 627 K N -0.038 120.197 120.400 -0.276 0.000 2.418 627 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 627 K C 0.071 176.606 176.600 -0.109 0.000 1.035 627 K CA -0.003 56.197 56.287 -0.145 0.000 1.003 627 K CB 0.587 33.018 32.500 -0.115 0.000 0.793 627 K HN -0.051 nan 8.250 nan 0.000 0.494 628 V N 4.006 123.848 119.914 -0.119 0.000 2.521 628 V HA 0.050 4.170 4.120 -0.000 0.000 0.286 628 V C -2.204 173.824 176.094 -0.111 0.000 1.034 628 V CA -1.652 60.601 62.300 -0.079 0.000 1.045 628 V CB 0.407 32.227 31.823 -0.007 0.000 0.974 628 V HN 0.058 nan 8.190 nan 0.000 0.480 629 P HA 0.127 nan 4.420 nan 0.000 0.261 629 P C 0.969 177.988 177.300 -0.467 0.000 1.173 629 P CA 1.518 64.429 63.100 -0.314 0.000 0.760 629 P CB 0.387 31.869 31.700 -0.365 0.000 0.783 630 G N 2.299 111.023 108.800 -0.127 0.000 2.179 630 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 630 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 630 G C 0.129 175.091 174.900 0.104 0.000 0.977 630 G CA -0.392 44.729 45.100 0.035 0.000 0.641 630 G HN 0.554 nan 8.290 nan 0.000 0.533 631 F N 1.045 120.974 119.950 -0.035 0.000 2.608 631 F HA 0.406 4.933 4.527 -0.000 0.000 0.380 631 F C 1.361 177.171 175.800 0.017 0.000 1.083 631 F CA 0.894 58.900 58.000 0.011 0.000 1.266 631 F CB 0.989 39.987 39.000 -0.003 0.000 1.076 631 F HN -0.075 nan 8.300 nan 0.000 0.574 632 V N 4.376 123.915 119.914 -0.626 0.000 2.721 632 V HA 0.090 4.210 4.120 -0.000 0.000 0.236 632 V C 0.377 176.102 176.094 -0.616 0.000 1.116 632 V CA 1.028 63.060 62.300 -0.446 0.000 1.148 632 V CB 0.366 32.004 31.823 -0.308 0.000 0.886 632 V HN 1.013 nan 8.190 nan 0.000 0.490 633 C N -1.737 116.988 119.300 -0.958 0.000 3.312 633 C HA 0.695 5.154 4.460 -0.000 0.000 0.332 633 C C -1.274 173.544 174.990 -0.286 0.000 1.340 633 C CA -1.342 57.390 59.018 -0.477 0.000 1.265 633 C CB 0.797 28.439 27.740 -0.164 0.000 1.563 633 C HN 0.325 nan 8.230 nan 0.000 0.471 634 F N 1.824 121.789 119.950 0.025 0.000 2.436 634 F HA 0.834 5.361 4.527 -0.000 0.000 0.340 634 F C -0.793 174.995 175.800 -0.020 0.000 1.113 634 F CA -1.080 56.956 58.000 0.061 0.000 1.022 634 F CB 0.920 40.024 39.000 0.174 0.000 1.128 634 F HN 0.701 nan 8.300 nan 0.000 0.466 635 L N 5.841 126.562 121.223 -0.837 0.000 2.317 635 L HA 0.673 5.013 4.340 -0.000 0.000 0.281 635 L C -0.244 175.889 176.870 -1.230 0.000 1.024 635 L CA -0.514 53.919 54.840 -0.678 0.000 0.810 635 L CB 1.785 43.666 42.059 -0.298 0.000 1.240 635 L HN 0.807 nan 8.230 nan 0.000 0.427 636 S N 0.996 116.309 115.700 -0.646 0.000 2.794 636 S HA 0.635 5.105 4.470 -0.000 0.000 0.299 636 S C 0.754 175.379 174.600 0.043 0.000 1.179 636 S CA -0.118 57.770 58.200 -0.520 0.000 0.838 636 S CB 1.351 64.443 63.200 -0.179 0.000 1.206 636 S HN 0.607 nan 8.310 nan 0.000 0.523 637 A N 0.889 123.800 122.820 0.152 0.000 1.958 637 A HA -0.164 4.156 4.320 -0.000 0.000 0.221 637 A C 1.551 179.211 177.584 0.127 0.000 1.178 637 A CA 2.292 54.455 52.037 0.210 0.000 0.642 637 A CB -1.389 17.691 19.000 0.133 0.000 0.816 637 A HN 0.822 nan 8.150 nan 0.000 0.453 638 D N 0.079 120.531 120.400 0.086 0.000 2.264 638 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 638 D C 0.918 177.261 176.300 0.073 0.000 0.966 638 D CA 1.021 55.061 54.000 0.068 0.000 0.864 638 D CB -0.314 40.522 40.800 0.059 0.000 0.933 638 D HN 0.505 nan 8.370 nan 0.000 0.499 639 D N 0.151 120.606 120.400 0.090 0.000 2.347 639 D HA 0.030 4.669 4.640 -0.000 0.000 0.213 639 D C 0.822 177.189 176.300 0.113 0.000 0.985 639 D CA 0.030 54.094 54.000 0.106 0.000 0.879 639 D CB 0.925 41.786 40.800 0.102 0.000 0.919 639 D HN 0.266 nan 8.370 nan 0.000 0.526 640 I N 3.448 124.063 120.570 0.075 0.000 2.517 640 I HA -0.014 4.156 4.170 -0.000 0.000 0.285 640 I C -0.911 175.179 176.117 -0.045 0.000 1.106 640 I CA -1.107 60.188 61.300 -0.008 0.000 1.402 640 I CB 1.207 39.186 38.000 -0.036 0.000 1.399 640 I HN -0.172 nan 8.210 nan 0.000 0.535 641 P HA 0.018 nan 4.420 nan 0.000 0.224 641 P C 0.976 178.203 177.300 -0.121 0.000 1.157 641 P CA 0.739 63.760 63.100 -0.131 0.000 0.799 641 P CB 0.534 32.051 31.700 -0.306 0.000 0.809 642 G N -0.374 108.335 108.800 -0.151 0.000 2.571 642 G HA2 0.205 4.165 3.960 -0.000 0.000 0.225 642 G HA3 0.205 4.165 3.960 -0.000 0.000 0.225 642 G C -0.218 174.630 174.900 -0.086 0.000 1.731 642 G CA 0.283 45.314 45.100 -0.115 0.000 0.858 642 G HN 0.373 nan 8.290 nan 0.000 0.611 643 S N -0.698 114.942 115.700 -0.099 0.000 2.547 643 S HA 0.388 4.858 4.470 -0.000 0.000 0.281 643 S C -0.207 174.331 174.600 -0.103 0.000 1.118 643 S CA -0.614 57.534 58.200 -0.086 0.000 0.947 643 S CB 1.793 64.942 63.200 -0.086 0.000 1.053 643 S HN 0.228 nan 8.310 nan 0.000 0.482 644 N N 2.583 121.236 118.700 -0.079 0.000 2.322 644 N HA 0.090 4.830 4.740 -0.000 0.000 0.194 644 N C -0.057 175.400 175.510 -0.088 0.000 1.126 644 N CA 0.060 53.061 53.050 -0.083 0.000 0.845 644 N CB 0.266 38.735 38.487 -0.030 0.000 0.976 644 N HN 0.766 nan 8.380 nan 0.000 0.475 645 E N 0.080 120.221 120.200 -0.099 0.000 2.146 645 E HA 0.242 4.591 4.350 -0.000 0.000 0.282 645 E C -0.858 175.626 176.600 -0.192 0.000 0.989 645 E CA -0.149 56.188 56.400 -0.105 0.000 0.799 645 E CB 0.840 30.495 29.700 -0.076 0.000 1.088 645 E HN 0.049 nan 8.360 nan 0.000 0.397 646 T N 2.204 116.618 114.554 -0.234 0.000 2.654 646 T HA 0.742 5.091 4.350 -0.000 0.000 0.289 646 T C -0.665 173.776 174.700 -0.432 0.000 1.062 646 T CA 0.444 62.272 62.100 -0.453 0.000 1.041 646 T CB 1.239 69.844 68.868 -0.438 0.000 1.417 646 T HN 0.909 nan 8.240 nan 0.000 0.510 647 G N 0.552 108.932 108.800 -0.700 0.000 2.663 647 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.686 647 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.686 647 G C 0.265 175.099 174.900 -0.109 0.000 1.246 647 G CA -0.129 44.825 45.100 -0.243 0.000 0.795 647 G HN 1.040 nan 8.290 nan 0.000 0.627 648 L N 0.182 121.517 121.223 0.186 0.000 2.043 648 L HA 0.155 4.495 4.340 -0.000 0.000 0.212 648 L C 2.078 178.765 176.870 -0.305 0.000 1.075 648 L CA 2.506 57.386 54.840 0.065 0.000 0.752 648 L CB -0.405 41.669 42.059 0.026 0.000 0.891 648 L HN 0.569 nan 8.230 nan 0.000 0.432 649 F N -0.740 119.237 119.950 0.044 0.000 2.684 649 F HA 0.269 4.796 4.527 -0.000 0.000 0.298 649 F C 1.076 176.860 175.800 -0.027 0.000 1.120 649 F CA -0.434 57.570 58.000 0.006 0.000 1.332 649 F CB -0.259 38.731 39.000 -0.018 0.000 0.986 649 F HN 0.034 nan 8.300 nan 0.000 0.524 650 N N 1.524 120.232 118.700 0.014 0.000 2.725 650 N HA -0.195 4.544 4.740 -0.000 0.000 0.249 650 N C -0.016 175.496 175.510 0.003 0.000 1.103 650 N CA 1.309 54.335 53.050 -0.040 0.000 0.707 650 N CB -0.947 37.524 38.487 -0.026 0.000 1.043 650 N HN 0.539 nan 8.380 nan 0.000 0.553 651 D N -1.126 119.291 120.400 0.028 0.000 2.501 651 D HA 0.136 4.776 4.640 -0.000 0.000 0.224 651 D C 0.091 176.412 176.300 0.035 0.000 1.202 651 D CA 0.095 54.120 54.000 0.042 0.000 0.829 651 D CB 0.199 41.031 40.800 0.053 0.000 1.023 651 D HN 0.356 nan 8.370 nan 0.000 0.499 652 E N -0.009 120.195 120.200 0.007 0.000 2.299 652 E HA 0.457 4.807 4.350 -0.000 0.000 0.265 652 E C -0.395 176.216 176.600 0.018 0.000 0.911 652 E CA -0.933 55.486 56.400 0.031 0.000 0.789 652 E CB 1.748 31.456 29.700 0.014 0.000 1.246 652 E HN 0.122 nan 8.360 nan 0.000 0.427 653 T N -1.815 112.789 114.554 0.084 0.000 2.922 653 T HA 0.209 4.559 4.350 -0.000 0.000 0.285 653 T C 1.095 175.788 174.700 -0.012 0.000 1.005 653 T CA -0.816 61.308 62.100 0.040 0.000 1.061 653 T CB 1.301 70.220 68.868 0.085 0.000 1.007 653 T HN 0.167 nan 8.240 nan 0.000 0.502 654 V N 0.585 120.429 119.914 -0.116 0.000 2.307 654 V HA 0.137 4.256 4.120 -0.000 0.000 0.245 654 V C 0.401 176.341 176.094 -0.256 0.000 1.045 654 V CA 1.151 63.287 62.300 -0.274 0.000 1.024 654 V CB -0.656 30.897 31.823 -0.451 0.000 0.651 654 V HN 0.855 nan 8.190 nan 0.000 0.449 655 F N -0.847 119.075 119.950 -0.046 0.000 2.518 655 F HA 0.687 5.214 4.527 -0.001 0.000 0.323 655 F C 0.306 176.052 175.800 -0.091 0.000 1.129 655 F CA -0.993 56.963 58.000 -0.073 0.000 0.920 655 F CB 1.257 40.212 39.000 -0.076 0.000 1.160 655 F HN 0.026 nan 8.300 nan 0.000 0.440 656 A N 3.704 126.532 122.820 0.014 0.000 2.498 656 A HA 0.154 4.474 4.320 -0.000 0.000 0.239 656 A C 0.724 178.316 177.584 0.013 0.000 1.068 656 A CA 0.098 52.073 52.037 -0.103 0.000 0.766 656 A CB 0.713 19.482 19.000 -0.386 0.000 1.003 656 A HN 1.016 nan 8.150 nan 0.000 0.497 657 K N 0.017 120.441 120.400 0.040 0.000 2.267 657 K HA 0.064 4.383 4.320 -0.000 0.000 0.213 657 K C 0.393 177.020 176.600 0.045 0.000 1.060 657 K CA 0.694 57.011 56.287 0.050 0.000 0.935 657 K CB 0.292 32.826 32.500 0.056 0.000 1.096 657 K HN 0.707 nan 8.250 nan 0.000 0.468 658 D N -0.336 120.098 120.400 0.057 0.000 2.380 658 D HA 0.090 4.729 4.640 -0.000 0.000 0.212 658 D C -0.222 176.121 176.300 0.073 0.000 1.021 658 D CA 0.594 54.626 54.000 0.054 0.000 0.884 658 D CB 1.274 42.106 40.800 0.053 0.000 1.001 658 D HN 0.101 nan 8.370 nan 0.000 0.506 659 T N 0.663 115.283 114.554 0.110 0.000 2.952 659 T HA 0.415 4.764 4.350 -0.000 0.000 0.305 659 T C -0.392 174.453 174.700 0.242 0.000 1.064 659 T CA -0.764 61.436 62.100 0.167 0.000 1.008 659 T CB 2.867 71.847 68.868 0.187 0.000 1.078 659 T HN -0.126 nan 8.240 nan 0.000 0.459 660 V N 0.712 120.811 119.914 0.309 0.000 2.532 660 V HA 0.867 4.986 4.120 -0.000 0.000 0.295 660 V C 0.682 177.056 176.094 0.467 0.000 1.041 660 V CA -0.488 62.094 62.300 0.470 0.000 0.926 660 V CB 1.298 33.352 31.823 0.386 0.000 0.992 660 V HN 1.067 nan 8.190 nan 0.000 0.457 661 T N -1.192 113.595 114.554 0.390 0.000 3.170 661 T HA 0.407 4.757 4.350 -0.000 0.000 0.288 661 T C 0.181 174.834 174.700 -0.078 0.000 0.992 661 T CA 0.354 62.482 62.100 0.047 0.000 0.909 661 T CB -0.692 68.115 68.868 -0.102 0.000 1.133 661 T HN 1.687 nan 8.240 nan 0.000 0.530 662 C N -0.816 118.488 119.300 0.006 0.000 3.303 662 C HA 0.763 5.223 4.460 -0.000 0.000 0.340 662 C C -0.403 174.638 174.990 0.087 0.000 1.274 662 C CA -1.216 57.808 59.018 0.010 0.000 1.234 662 C CB 0.867 28.581 27.740 -0.044 0.000 1.532 662 C HN 0.158 nan 8.230 nan 0.000 0.483 663 V N 2.731 122.679 119.914 0.058 0.000 2.529 663 V HA 0.503 4.623 4.120 -0.000 0.000 0.292 663 V C 1.603 177.760 176.094 0.105 0.000 1.028 663 V CA 2.355 64.696 62.300 0.068 0.000 1.074 663 V CB 0.374 32.223 31.823 0.043 0.000 0.958 663 V HN 2.319 nan 8.190 nan 0.000 0.481 664 G N 3.019 111.898 108.800 0.133 0.000 2.175 664 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.244 664 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.244 664 G C 0.272 175.298 174.900 0.210 0.000 0.982 664 G CA 0.266 45.455 45.100 0.149 0.000 0.641 664 G HN 0.928 nan 8.290 nan 0.000 0.527 665 H N 0.578 119.711 119.070 0.106 0.000 3.107 665 H HA 0.323 4.879 4.556 -0.000 0.000 0.301 665 H C 0.846 176.261 175.328 0.145 0.000 0.981 665 H CA -0.455 55.665 56.048 0.119 0.000 1.443 665 H CB 0.181 30.017 29.762 0.124 0.000 1.479 665 H HN 0.279 nan 8.280 nan 0.000 0.564 666 I N 7.382 128.094 120.570 0.237 0.000 2.581 666 I HA -0.156 4.014 4.170 -0.000 0.000 0.285 666 I C 1.039 177.198 176.117 0.071 0.000 1.129 666 I CA 0.376 61.778 61.300 0.171 0.000 1.397 666 I CB 0.579 38.728 38.000 0.248 0.000 1.399 666 I HN 0.686 nan 8.210 nan 0.000 0.537 667 I N 4.759 125.361 120.570 0.054 0.000 2.927 667 I HA 0.238 4.408 4.170 -0.000 0.000 0.268 667 I C 1.269 177.265 176.117 -0.203 0.000 1.153 667 I CA 0.395 61.690 61.300 -0.009 0.000 1.459 667 I CB 0.104 38.134 38.000 0.051 0.000 1.149 667 I HN 0.767 nan 8.210 nan 0.000 0.443 668 G N 0.093 108.669 108.800 -0.373 0.000 2.428 668 G HA2 0.721 4.681 3.960 -0.000 0.000 0.305 668 G HA3 0.721 4.681 3.960 -0.000 0.000 0.305 668 G C -2.059 172.430 174.900 -0.685 0.000 1.260 668 G CA 0.143 44.539 45.100 -1.173 0.000 0.853 668 G HN 0.216 nan 8.290 nan 0.000 0.480 669 A N -1.320 121.034 122.820 -0.776 0.000 2.566 669 A HA 0.735 5.055 4.320 -0.000 0.000 0.297 669 A C -1.277 176.221 177.584 -0.143 0.000 1.059 669 A CA -0.387 51.512 52.037 -0.229 0.000 0.691 669 A CB 1.625 20.597 19.000 -0.046 0.000 1.282 669 A HN 1.522 nan 8.150 nan 0.000 0.401 670 V N 1.479 121.456 119.914 0.104 0.000 2.539 670 V HA 0.561 4.681 4.120 -0.000 0.000 0.292 670 V C -0.153 175.957 176.094 0.026 0.000 1.045 670 V CA -0.410 61.979 62.300 0.148 0.000 0.945 670 V CB 1.625 33.632 31.823 0.306 0.000 0.993 670 V HN 0.705 nan 8.190 nan 0.000 0.464 671 V N 3.555 123.399 119.914 -0.117 0.000 2.555 671 V HA 0.941 5.061 4.120 -0.000 0.000 0.302 671 V C 0.197 176.192 176.094 -0.165 0.000 1.038 671 V CA -0.159 62.077 62.300 -0.106 0.000 0.887 671 V CB 1.375 33.113 31.823 -0.142 0.000 0.991 671 V HN 1.104 nan 8.190 nan 0.000 0.434 672 A N 2.756 125.584 122.820 0.014 0.000 2.583 672 A HA 0.694 5.014 4.320 -0.000 0.000 0.289 672 A C 0.310 178.016 177.584 0.203 0.000 1.151 672 A CA -0.039 52.044 52.037 0.078 0.000 0.695 672 A CB 1.474 20.581 19.000 0.178 0.000 1.290 672 A HN 0.750 nan 8.150 nan 0.000 0.419 673 D N -0.428 120.110 120.400 0.230 0.000 2.323 673 D HA 0.062 4.702 4.640 -0.000 0.000 0.209 673 D C 0.652 177.152 176.300 0.333 0.000 0.973 673 D CA 1.572 55.737 54.000 0.275 0.000 0.874 673 D CB -0.126 40.802 40.800 0.214 0.000 0.930 673 D HN 0.761 nan 8.370 nan 0.000 0.521 674 T N -4.526 110.117 114.554 0.148 0.000 2.883 674 T HA 0.416 4.766 4.350 -0.000 0.000 0.301 674 T C -2.434 172.002 174.700 -0.440 0.000 1.158 674 T CA -1.551 60.339 62.100 -0.350 0.000 1.007 674 T CB 2.762 71.386 68.868 -0.407 0.000 1.186 674 T HN -0.361 nan 8.240 nan 0.000 0.499 675 P HA -0.007 nan 4.420 nan 0.000 0.221 675 P C 0.920 178.124 177.300 -0.160 0.000 1.150 675 P CA 1.053 63.929 63.100 -0.374 0.000 0.800 675 P CB 0.218 31.676 31.700 -0.404 0.000 0.787 676 E N -0.954 119.110 120.200 -0.226 0.000 2.072 676 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 676 E C 2.156 178.756 176.600 0.001 0.000 0.985 676 E CA 1.130 57.450 56.400 -0.134 0.000 0.801 676 E CB -0.847 28.724 29.700 -0.215 0.000 0.750 676 E HN 0.388 nan 8.360 nan 0.000 0.452 677 H N -0.268 118.797 119.070 -0.007 0.000 2.389 677 H HA 0.123 4.679 4.556 -0.001 0.000 0.299 677 H C 1.946 177.334 175.328 0.100 0.000 1.081 677 H CA 1.244 57.324 56.048 0.054 0.000 1.345 677 H CB -0.545 29.257 29.762 0.067 0.000 1.393 677 H HN 0.224 nan 8.280 nan 0.000 0.520 678 A N 0.875 123.820 122.820 0.209 0.000 1.902 678 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 678 A C 2.385 180.075 177.584 0.176 0.000 1.181 678 A CA 1.728 53.882 52.037 0.194 0.000 0.623 678 A CB -0.409 18.701 19.000 0.182 0.000 0.818 678 A HN 0.523 nan 8.150 nan 0.000 0.443 679 E N -0.191 120.088 120.200 0.132 0.000 2.038 679 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 679 E C 2.292 178.978 176.600 0.145 0.000 1.000 679 E CA 1.282 57.753 56.400 0.118 0.000 0.803 679 E CB -0.150 29.590 29.700 0.067 0.000 0.750 679 E HN 0.576 nan 8.360 nan 0.000 0.448 680 R N -0.059 120.529 120.500 0.146 0.000 2.091 680 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 680 R C 2.425 178.828 176.300 0.172 0.000 1.136 680 R CA 1.229 57.420 56.100 0.153 0.000 0.959 680 R CB -0.379 30.013 30.300 0.153 0.000 0.856 680 R HN 0.215 nan 8.270 nan 0.000 0.437 681 A N 1.212 124.147 122.820 0.192 0.000 1.898 681 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 681 A C 2.396 180.088 177.584 0.180 0.000 1.181 681 A CA 1.449 53.602 52.037 0.193 0.000 0.620 681 A CB -0.552 18.666 19.000 0.363 0.000 0.819 681 A HN 0.384 nan 8.150 nan 0.000 0.442 682 A N -0.770 122.175 122.820 0.208 0.000 1.908 682 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 682 A C 2.020 179.692 177.584 0.148 0.000 1.181 682 A CA 2.231 54.382 52.037 0.190 0.000 0.627 682 A CB -0.915 18.199 19.000 0.192 0.000 0.818 682 A HN 0.759 nan 8.150 nan 0.000 0.445 683 H N 0.117 119.234 119.070 0.077 0.000 2.421 683 H HA -0.057 4.498 4.556 -0.001 0.000 0.298 683 H C 1.603 176.949 175.328 0.029 0.000 1.087 683 H CA 2.033 58.114 56.048 0.055 0.000 1.330 683 H CB -0.067 29.726 29.762 0.052 0.000 1.388 683 H HN 0.338 nan 8.280 nan 0.000 0.526 684 V N -1.445 118.439 119.914 -0.050 0.000 3.633 684 V HA 0.248 4.367 4.120 -0.000 0.000 0.283 684 V C 0.642 176.650 176.094 -0.143 0.000 1.305 684 V CA -0.195 62.031 62.300 -0.125 0.000 1.153 684 V CB -0.389 31.402 31.823 -0.053 0.000 0.950 684 V HN 0.032 nan 8.190 nan 0.000 0.432 685 V N 2.423 122.261 119.914 -0.127 0.000 2.479 685 V HA 0.159 4.279 4.120 -0.000 0.000 0.281 685 V C 0.486 176.470 176.094 -0.183 0.000 1.031 685 V CA 0.237 62.423 62.300 -0.190 0.000 1.038 685 V CB 0.764 32.474 31.823 -0.188 0.000 0.981 685 V HN 0.570 nan 8.190 nan 0.000 0.478 686 K N 4.947 125.225 120.400 -0.203 0.000 2.263 686 K HA 0.553 4.872 4.320 -0.000 0.000 0.272 686 K C -1.148 175.335 176.600 -0.195 0.000 1.033 686 K CA -0.466 55.722 56.287 -0.165 0.000 0.884 686 K CB 1.404 33.819 32.500 -0.141 0.000 1.107 686 K HN 0.509 nan 8.250 nan 0.000 0.460 687 V N 3.461 123.259 119.914 -0.192 0.000 2.483 687 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 687 V C -0.125 175.723 176.094 -0.410 0.000 1.035 687 V CA -0.689 61.399 62.300 -0.353 0.000 0.896 687 V CB 1.800 33.344 31.823 -0.466 0.000 0.986 687 V HN 0.796 nan 8.190 nan 0.000 0.447 688 T N 4.522 118.827 114.554 -0.414 0.000 2.824 688 T HA 0.702 5.051 4.350 -0.000 0.000 0.280 688 T C -1.037 173.449 174.700 -0.356 0.000 0.995 688 T CA -0.180 61.763 62.100 -0.262 0.000 1.009 688 T CB 0.828 69.619 68.868 -0.127 0.000 0.955 688 T HN 0.463 nan 8.240 nan 0.000 0.452 689 Y N 0.598 120.890 120.300 -0.013 0.000 2.570 689 Y HA 0.547 5.097 4.550 -0.000 0.000 0.345 689 Y C 0.335 176.226 175.900 -0.015 0.000 1.014 689 Y CA -1.210 56.884 58.100 -0.009 0.000 1.063 689 Y CB 1.724 40.184 38.460 -0.000 0.000 1.272 689 Y HN 0.548 nan 8.280 nan 0.000 0.477 690 E N 1.876 122.170 120.200 0.156 0.000 2.220 690 E HA 0.206 4.556 4.350 -0.000 0.000 0.256 690 E C -1.505 175.115 176.600 0.033 0.000 0.881 690 E CA -0.810 55.632 56.400 0.069 0.000 0.766 690 E CB 0.769 30.485 29.700 0.027 0.000 1.187 690 E HN 0.578 nan 8.360 nan 0.000 0.419 691 D N 3.619 124.026 120.400 0.011 0.000 2.472 691 D HA 0.141 4.780 4.640 -0.000 0.000 0.237 691 D C -0.079 176.172 176.300 -0.083 0.000 1.141 691 D CA 0.600 54.578 54.000 -0.037 0.000 0.875 691 D CB 0.754 41.536 40.800 -0.030 0.000 1.192 691 D HN 0.404 nan 8.370 nan 0.000 0.450 692 L N 2.780 123.904 121.223 -0.164 0.000 2.323 692 L HA 0.410 4.750 4.340 -0.000 0.000 0.265 692 L C -2.214 174.610 176.870 -0.076 0.000 1.012 692 L CA -2.106 52.600 54.840 -0.222 0.000 0.820 692 L CB 1.721 43.416 42.059 -0.607 0.000 1.334 692 L HN 0.113 nan 8.230 nan 0.000 0.427 693 P HA 0.145 nan 4.420 nan 0.000 0.265 693 P C -1.099 176.294 177.300 0.154 0.000 1.193 693 P CA -0.026 63.107 63.100 0.055 0.000 0.765 693 P CB 0.729 32.450 31.700 0.035 0.000 0.823 694 A N 3.579 126.448 122.820 0.082 0.000 2.330 694 A HA 0.766 5.086 4.320 -0.000 0.000 0.329 694 A C -0.640 176.927 177.584 -0.028 0.000 1.135 694 A CA -0.756 51.313 52.037 0.054 0.000 0.817 694 A CB 0.823 19.849 19.000 0.043 0.000 1.269 694 A HN 0.485 nan 8.150 nan 0.000 0.469 695 I N 1.909 122.431 120.570 -0.080 0.000 2.439 695 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 695 I C -0.144 175.900 176.117 -0.123 0.000 1.021 695 I CA 0.040 61.274 61.300 -0.110 0.000 1.091 695 I CB 1.628 39.539 38.000 -0.148 0.000 1.242 695 I HN 0.696 nan 8.210 nan 0.000 0.439 696 I N 2.725 123.225 120.570 -0.118 0.000 3.366 696 I HA 0.043 4.213 4.170 -0.000 0.000 0.267 696 I C 1.176 177.205 176.117 -0.147 0.000 1.149 696 I CA 0.394 61.608 61.300 -0.143 0.000 1.436 696 I CB 0.397 38.311 38.000 -0.143 0.000 1.379 696 I HN 0.574 nan 8.210 nan 0.000 0.460 697 T N -0.847 113.633 114.554 -0.123 0.000 2.849 697 T HA 0.349 4.699 4.350 -0.000 0.000 0.284 697 T C 1.237 175.888 174.700 -0.081 0.000 1.004 697 T CA -0.421 61.615 62.100 -0.106 0.000 1.021 697 T CB 1.388 70.191 68.868 -0.108 0.000 1.013 697 T HN 0.077 nan 8.240 nan 0.000 0.527 698 I N 0.661 121.209 120.570 -0.037 0.000 2.208 698 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 698 I C 2.582 178.651 176.117 -0.080 0.000 1.097 698 I CA 1.467 62.760 61.300 -0.012 0.000 1.363 698 I CB -0.430 37.617 38.000 0.078 0.000 1.051 698 I HN 0.709 nan 8.210 nan 0.000 0.413 699 E N 0.983 121.127 120.200 -0.093 0.000 2.058 699 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 699 E C 1.793 178.326 176.600 -0.111 0.000 0.997 699 E CA 1.473 57.808 56.400 -0.108 0.000 0.801 699 E CB -0.338 29.306 29.700 -0.092 0.000 0.746 699 E HN 0.396 nan 8.360 nan 0.000 0.450 700 D N 0.069 120.404 120.400 -0.107 0.000 2.116 700 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 700 D C 1.854 178.059 176.300 -0.159 0.000 0.998 700 D CA 1.762 55.693 54.000 -0.116 0.000 0.836 700 D CB -0.484 40.250 40.800 -0.111 0.000 0.951 700 D HN 0.235 nan 8.370 nan 0.000 0.449 701 A N 0.558 123.271 122.820 -0.179 0.000 1.902 701 A HA -0.142 4.177 4.320 -0.000 0.000 0.217 701 A C 2.441 179.791 177.584 -0.390 0.000 1.181 701 A CA 1.031 52.896 52.037 -0.287 0.000 0.623 701 A CB -0.728 18.137 19.000 -0.226 0.000 0.818 701 A HN 0.215 nan 8.150 nan 0.000 0.443 702 I N -0.529 119.916 120.570 -0.209 0.000 2.179 702 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 702 I C 2.543 178.592 176.117 -0.112 0.000 1.088 702 I CA 1.824 63.069 61.300 -0.091 0.000 1.357 702 I CB -0.260 37.673 38.000 -0.111 0.000 1.051 702 I HN 0.359 nan 8.210 nan 0.000 0.409 703 K N 1.222 121.550 120.400 -0.121 0.000 2.147 703 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 703 K C 1.097 177.631 176.600 -0.111 0.000 1.049 703 K CA 1.751 57.983 56.287 -0.092 0.000 0.936 703 K CB -0.083 32.368 32.500 -0.082 0.000 0.722 703 K HN 0.370 nan 8.250 nan 0.000 0.446 704 N N 0.673 119.268 118.700 -0.176 0.000 2.230 704 N HA 0.074 4.814 4.740 -0.000 0.000 0.202 704 N C -0.850 174.505 175.510 -0.259 0.000 1.119 704 N CA -0.115 52.824 53.050 -0.185 0.000 0.851 704 N CB 0.534 38.911 38.487 -0.182 0.000 0.990 704 N HN 0.137 nan 8.380 nan 0.000 0.497 705 N N 0.418 118.907 118.700 -0.352 0.000 2.721 705 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 705 N C -0.754 174.309 175.510 -0.743 0.000 1.072 705 N CA 0.602 53.365 53.050 -0.478 0.000 0.710 705 N CB -1.294 37.135 38.487 -0.097 0.000 0.993 705 N HN 0.152 nan 8.380 nan 0.000 0.547 706 S N 0.477 115.614 115.700 -0.939 0.000 2.955 706 S HA 0.520 4.989 4.470 -0.000 0.000 0.294 706 S C -0.399 173.710 174.600 -0.820 0.000 1.198 706 S CA -0.459 57.335 58.200 -0.677 0.000 1.008 706 S CB -0.355 62.569 63.200 -0.459 0.000 1.279 706 S HN 0.243 nan 8.310 nan 0.000 0.508 707 F N 2.431 122.265 119.950 -0.193 0.000 2.577 707 F HA 0.461 4.987 4.527 -0.001 0.000 0.318 707 F C -0.511 175.141 175.800 -0.247 0.000 1.065 707 F CA -1.368 56.516 58.000 -0.193 0.000 0.929 707 F CB 1.320 40.287 39.000 -0.055 0.000 1.237 707 F HN 0.280 nan 8.300 nan 0.000 0.468 708 Y N 1.342 121.757 120.300 0.190 0.000 2.350 708 Y HA 0.484 5.034 4.550 -0.000 0.000 0.340 708 Y C 0.889 176.824 175.900 0.059 0.000 1.006 708 Y CA 0.091 58.238 58.100 0.078 0.000 1.166 708 Y CB 0.799 39.275 38.460 0.026 0.000 1.168 708 Y HN 0.905 nan 8.280 nan 0.000 0.502 709 G N 2.072 110.981 108.800 0.182 0.000 2.645 709 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.246 709 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.246 709 G C -0.487 174.451 174.900 0.063 0.000 1.322 709 G CA -0.398 44.755 45.100 0.089 0.000 0.898 709 G HN 0.625 nan 8.290 nan 0.000 0.573 710 S N -0.451 115.259 115.700 0.017 0.000 2.718 710 S HA 0.552 5.022 4.470 -0.000 0.000 0.300 710 S C 0.233 174.784 174.600 -0.082 0.000 1.117 710 S CA -0.175 58.011 58.200 -0.023 0.000 1.002 710 S CB 1.718 64.909 63.200 -0.016 0.000 1.092 710 S HN 0.849 nan 8.310 nan 0.000 0.542 711 E N 0.835 120.965 120.200 -0.117 0.000 2.465 711 E HA 0.070 4.420 4.350 -0.000 0.000 0.260 711 E C -1.074 175.438 176.600 -0.147 0.000 0.980 711 E CA 0.046 56.350 56.400 -0.161 0.000 0.927 711 E CB 0.275 29.893 29.700 -0.136 0.000 0.934 711 E HN 0.361 nan 8.360 nan 0.000 0.459 712 L N 4.681 125.782 121.223 -0.203 0.000 2.334 712 L HA 0.421 4.761 4.340 -0.000 0.000 0.277 712 L C 0.055 176.854 176.870 -0.119 0.000 1.075 712 L CA -0.194 54.497 54.840 -0.248 0.000 0.804 712 L CB 1.101 42.918 42.059 -0.403 0.000 1.174 712 L HN 0.527 nan 8.230 nan 0.000 0.438 713 K N 3.496 123.891 120.400 -0.007 0.000 2.543 713 K HA 0.579 4.899 4.320 -0.000 0.000 0.255 713 K C -1.747 175.009 176.600 0.259 0.000 0.934 713 K CA -0.501 55.847 56.287 0.103 0.000 0.810 713 K CB 1.828 34.372 32.500 0.073 0.000 1.315 713 K HN 0.469 nan 8.250 nan 0.000 0.433 714 I N 2.877 123.586 120.570 0.232 0.000 2.418 714 I HA 0.334 4.503 4.170 -0.000 0.000 0.287 714 I C -0.874 175.373 176.117 0.216 0.000 1.008 714 I CA -0.605 60.847 61.300 0.255 0.000 1.104 714 I CB 2.049 40.207 38.000 0.263 0.000 1.264 714 I HN 0.635 nan 8.210 nan 0.000 0.438 715 E N 6.912 127.222 120.200 0.183 0.000 2.256 715 E HA 0.510 4.859 4.350 -0.000 0.000 0.268 715 E C -1.429 175.247 176.600 0.126 0.000 0.877 715 E CA -0.835 55.650 56.400 0.141 0.000 0.757 715 E CB 2.280 32.044 29.700 0.106 0.000 1.183 715 E HN 0.488 nan 8.360 nan 0.000 0.418 716 K N 3.160 123.626 120.400 0.110 0.000 2.501 716 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 716 K C -0.210 176.416 176.600 0.043 0.000 0.934 716 K CA 0.148 56.485 56.287 0.082 0.000 0.797 716 K CB 1.633 34.196 32.500 0.106 0.000 1.270 716 K HN 0.756 nan 8.250 nan 0.000 0.431 717 G N 2.314 111.129 108.800 0.025 0.000 2.542 717 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.235 717 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.235 717 G C -1.318 173.582 174.900 0.000 0.000 1.286 717 G CA 0.041 45.142 45.100 0.001 0.000 0.904 717 G HN 0.663 nan 8.290 nan 0.000 0.577 718 D N 0.412 120.802 120.400 -0.018 0.000 2.421 718 D HA 0.498 5.138 4.640 -0.000 0.000 0.254 718 D C 1.618 177.902 176.300 -0.026 0.000 1.238 718 D CA -0.512 53.482 54.000 -0.010 0.000 0.919 718 D CB 0.834 41.629 40.800 -0.010 0.000 1.152 718 D HN 0.342 nan 8.370 nan 0.000 0.552 719 L N 2.958 124.182 121.223 0.001 0.000 2.017 719 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 719 L C 2.405 179.329 176.870 0.090 0.000 1.073 719 L CA 0.978 55.823 54.840 0.008 0.000 0.745 719 L CB -0.037 42.091 42.059 0.115 0.000 0.894 719 L HN 0.394 nan 8.230 nan 0.000 0.432 720 K N 0.549 121.013 120.400 0.106 0.000 2.032 720 K HA -0.283 4.037 4.320 -0.000 0.000 0.209 720 K C 2.211 178.858 176.600 0.078 0.000 1.048 720 K CA 1.839 58.196 56.287 0.116 0.000 0.927 720 K CB -0.016 32.524 32.500 0.067 0.000 0.712 720 K HN 0.100 nan 8.250 nan 0.000 0.441 721 K N -0.357 120.058 120.400 0.025 0.000 2.026 721 K HA -0.115 4.204 4.320 -0.000 0.000 0.208 721 K C 2.093 178.674 176.600 -0.031 0.000 1.048 721 K CA 1.620 57.907 56.287 -0.001 0.000 0.929 721 K CB -0.422 32.070 32.500 -0.014 0.000 0.713 721 K HN 0.324 nan 8.250 nan 0.000 0.439 722 G N 0.367 109.113 108.800 -0.090 0.000 2.491 722 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 722 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 722 G C 1.336 176.114 174.900 -0.203 0.000 1.180 722 G CA 0.969 45.950 45.100 -0.198 0.000 0.774 722 G HN 0.322 nan 8.290 nan 0.000 0.562 723 F N 1.730 121.648 119.950 -0.052 0.000 2.234 723 F HA -0.067 4.460 4.527 -0.001 0.000 0.299 723 F C 3.130 178.892 175.800 -0.063 0.000 1.087 723 F CA 1.167 59.129 58.000 -0.064 0.000 1.340 723 F CB 0.083 39.048 39.000 -0.058 0.000 1.031 723 F HN 0.275 nan 8.300 nan 0.000 0.500 724 S N -0.699 115.071 115.700 0.117 0.000 2.474 724 S HA -0.197 4.273 4.470 -0.000 0.000 0.235 724 S C 1.663 176.271 174.600 0.014 0.000 0.997 724 S CA 1.268 59.498 58.200 0.051 0.000 0.949 724 S CB -0.317 62.903 63.200 0.033 0.000 0.766 724 S HN 0.576 nan 8.310 nan 0.000 0.517 725 E N 0.724 120.920 120.200 -0.006 0.000 2.431 725 E HA 0.374 4.724 4.350 -0.000 0.000 0.200 725 E C 0.590 177.163 176.600 -0.045 0.000 0.995 725 E CA 0.106 56.488 56.400 -0.030 0.000 0.915 725 E CB 0.305 29.979 29.700 -0.044 0.000 0.930 725 E HN 0.657 nan 8.360 nan 0.000 0.496 726 A N 1.535 124.325 122.820 -0.049 0.000 2.477 726 A HA -0.000 4.320 4.320 -0.000 0.000 0.246 726 A C 0.463 177.979 177.584 -0.114 0.000 1.078 726 A CA -0.165 51.818 52.037 -0.091 0.000 0.770 726 A CB 0.345 19.293 19.000 -0.086 0.000 1.011 726 A HN 0.150 nan 8.150 nan 0.000 0.494 727 D N 0.947 121.257 120.400 -0.150 0.000 2.144 727 D HA -0.042 4.597 4.640 -0.000 0.000 0.200 727 D C 0.338 176.497 176.300 -0.235 0.000 0.978 727 D CA 1.423 55.334 54.000 -0.149 0.000 0.833 727 D CB 0.164 40.900 40.800 -0.107 0.000 0.961 727 D HN 0.620 nan 8.370 nan 0.000 0.470 728 N N -0.788 117.626 118.700 -0.478 0.000 2.455 728 N HA 0.372 5.112 4.740 -0.000 0.000 0.278 728 N C -1.222 173.837 175.510 -0.753 0.000 1.291 728 N CA -0.473 52.192 53.050 -0.642 0.000 0.780 728 N CB 3.260 41.209 38.487 -0.896 0.000 1.520 728 N HN -0.273 nan 8.380 nan 0.000 0.486 729 V N 0.843 120.522 119.914 -0.392 0.000 2.962 729 V HA 0.572 4.691 4.120 -0.000 0.000 0.313 729 V C -0.451 175.733 176.094 0.151 0.000 1.099 729 V CA -0.739 61.503 62.300 -0.098 0.000 0.971 729 V CB 2.319 34.119 31.823 -0.038 0.000 1.028 729 V HN 0.339 nan 8.190 nan 0.000 0.430 730 V N 1.914 122.040 119.914 0.353 0.000 2.588 730 V HA 0.633 4.753 4.120 -0.000 0.000 0.304 730 V C -0.230 175.961 176.094 0.161 0.000 1.042 730 V CA -0.178 62.300 62.300 0.297 0.000 0.877 730 V CB 2.145 34.206 31.823 0.397 0.000 0.996 730 V HN 0.936 nan 8.190 nan 0.000 0.425 731 S N 2.139 117.842 115.700 0.006 0.000 2.536 731 S HA 0.983 5.453 4.470 -0.000 0.000 0.298 731 S C 0.157 174.525 174.600 -0.387 0.000 1.083 731 S CA -0.142 57.930 58.200 -0.213 0.000 0.995 731 S CB 2.049 65.151 63.200 -0.163 0.000 1.058 731 S HN 1.264 nan 8.310 nan 0.000 0.488 732 G N 0.695 108.971 108.800 -0.874 0.000 2.428 732 G HA2 0.540 4.500 3.960 -0.000 0.000 0.304 732 G HA3 0.540 4.500 3.960 -0.000 0.000 0.304 732 G C -2.124 172.428 174.900 -0.579 0.000 1.303 732 G CA -0.579 44.139 45.100 -0.635 0.000 0.825 732 G HN 0.614 nan 8.290 nan 0.000 0.484 733 E N -1.149 119.009 120.200 -0.069 0.000 2.317 733 E HA 0.702 5.052 4.350 -0.000 0.000 0.270 733 E C -1.914 174.897 176.600 0.352 0.000 0.885 733 E CA -0.767 55.729 56.400 0.159 0.000 0.760 733 E CB 2.558 32.326 29.700 0.113 0.000 1.227 733 E HN 0.482 nan 8.360 nan 0.000 0.434 734 L N 3.702 125.174 121.223 0.416 0.000 2.445 734 L HA 0.500 4.840 4.340 -0.000 0.000 0.262 734 L C -2.082 175.058 176.870 0.450 0.000 0.974 734 L CA -0.608 54.480 54.840 0.414 0.000 0.822 734 L CB 1.777 44.055 42.059 0.365 0.000 1.339 734 L HN 0.633 nan 8.230 nan 0.000 0.409 735 Y N 4.836 125.317 120.300 0.301 0.000 2.446 735 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 735 Y C -1.258 174.810 175.900 0.281 0.000 0.984 735 Y CA -0.881 57.386 58.100 0.277 0.000 1.058 735 Y CB 1.721 40.307 38.460 0.210 0.000 1.220 735 Y HN 0.627 nan 8.280 nan 0.000 0.455 736 I N 5.640 125.972 120.570 -0.397 0.000 2.447 736 I HA 0.628 4.798 4.170 -0.000 0.000 0.287 736 I C 0.108 175.788 176.117 -0.728 0.000 1.023 736 I CA -0.530 60.520 61.300 -0.417 0.000 1.083 736 I CB 0.927 38.781 38.000 -0.244 0.000 1.245 736 I HN 0.850 nan 8.210 nan 0.000 0.434 737 G N 4.516 113.047 108.800 -0.449 0.000 2.636 737 G HA2 0.420 4.379 3.960 -0.000 0.000 0.246 737 G HA3 0.420 4.379 3.960 -0.000 0.000 0.246 737 G C 0.406 175.221 174.900 -0.142 0.000 1.216 737 G CA 0.062 45.052 45.100 -0.184 0.000 0.854 737 G HN 0.851 nan 8.290 nan 0.000 0.572 738 G N -1.316 107.483 108.800 -0.001 0.000 2.468 738 G HA2 0.487 4.447 3.960 -0.000 0.000 0.264 738 G HA3 0.487 4.447 3.960 -0.000 0.000 0.264 738 G C -0.187 174.686 174.900 -0.046 0.000 1.460 738 G CA -0.166 44.929 45.100 -0.008 0.000 1.060 738 G HN 0.738 nan 8.290 nan 0.000 0.543 739 Q N -1.442 118.340 119.800 -0.030 0.000 2.403 739 Q HA 0.247 4.587 4.340 -0.000 0.000 0.267 739 Q C -2.196 173.875 176.000 0.118 0.000 0.991 739 Q CA -0.625 55.173 55.803 -0.009 0.000 0.906 739 Q CB 2.322 30.804 28.738 -0.427 0.000 1.422 739 Q HN 0.605 nan 8.270 nan 0.000 0.400 740 D N -0.081 120.383 120.400 0.106 0.000 2.210 740 D HA 0.219 4.859 4.640 -0.000 0.000 0.249 740 D C 0.533 176.908 176.300 0.125 0.000 1.078 740 D CA -0.007 53.974 54.000 -0.033 0.000 0.875 740 D CB 0.914 41.488 40.800 -0.377 0.000 1.175 740 D HN 0.574 nan 8.370 nan 0.000 0.440 741 H N 2.924 121.927 119.070 -0.112 0.000 2.352 741 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 741 H C 0.557 175.688 175.328 -0.327 0.000 1.097 741 H CA 1.113 56.837 56.048 -0.539 0.000 1.311 741 H CB -0.217 29.070 29.762 -0.790 0.000 1.377 741 H HN 0.529 nan 8.280 nan 0.000 0.504 742 F N 0.406 120.095 119.950 -0.436 0.000 3.079 742 F HA -0.290 4.237 4.527 -0.000 0.000 0.274 742 F C -0.615 175.100 175.800 -0.141 0.000 0.940 742 F CA -0.497 57.355 58.000 -0.246 0.000 0.932 742 F CB -1.725 37.271 39.000 -0.006 0.000 0.891 742 F HN 0.154 nan 8.300 nan 0.000 0.722 743 Y N -0.748 119.724 120.300 0.288 0.000 2.811 743 Y HA 0.041 4.591 4.550 -0.000 0.000 0.334 743 Y C 1.131 177.116 175.900 0.142 0.000 1.247 743 Y CA -0.900 57.397 58.100 0.328 0.000 1.526 743 Y CB -0.013 38.546 38.460 0.165 0.000 1.284 743 Y HN 0.093 nan 8.280 nan 0.000 0.586 744 L N 1.221 122.649 121.223 0.341 0.000 2.141 744 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 744 L C 1.105 178.030 176.870 0.091 0.000 1.094 744 L CA 1.399 56.357 54.840 0.197 0.000 0.763 744 L CB -0.614 41.542 42.059 0.162 0.000 0.908 744 L HN 0.865 nan 8.230 nan 0.000 0.437 745 E N 0.908 121.147 120.200 0.064 0.000 2.130 745 E HA 0.142 4.492 4.350 -0.000 0.000 0.284 745 E C -0.030 176.549 176.600 -0.034 0.000 1.018 745 E CA -0.286 56.095 56.400 -0.032 0.000 0.817 745 E CB 0.958 30.586 29.700 -0.119 0.000 1.078 745 E HN 0.246 nan 8.360 nan 0.000 0.396 746 T N 1.623 116.176 114.554 -0.001 0.000 2.667 746 T HA 0.072 4.422 4.350 -0.000 0.000 0.305 746 T C 0.639 175.227 174.700 -0.186 0.000 1.022 746 T CA -0.489 61.610 62.100 -0.002 0.000 0.995 746 T CB 0.357 69.280 68.868 0.091 0.000 1.026 746 T HN 0.445 nan 8.240 nan 0.000 0.527 747 H N 0.069 119.057 119.070 -0.136 0.000 2.897 747 H HA 0.355 4.910 4.556 -0.001 0.000 0.347 747 H C 0.354 175.658 175.328 -0.041 0.000 1.068 747 H CA 0.249 56.219 56.048 -0.130 0.000 1.426 747 H CB 0.114 29.834 29.762 -0.069 0.000 1.410 747 H HN 0.924 nan 8.280 nan 0.000 0.597 748 C N 1.239 120.579 119.300 0.067 0.000 3.171 748 C HA 0.614 5.074 4.460 -0.000 0.000 0.336 748 C C -0.333 174.706 174.990 0.081 0.000 1.198 748 C CA -0.928 58.138 59.018 0.081 0.000 1.319 748 C CB 1.233 29.013 27.740 0.066 0.000 1.682 748 C HN 0.764 nan 8.230 nan 0.000 0.497 749 T N 2.068 116.678 114.554 0.092 0.000 2.952 749 T HA 0.636 4.986 4.350 -0.000 0.000 0.305 749 T C -0.924 173.838 174.700 0.103 0.000 1.064 749 T CA -0.234 61.923 62.100 0.095 0.000 1.008 749 T CB 1.249 70.163 68.868 0.076 0.000 1.078 749 T HN 0.687 nan 8.240 nan 0.000 0.459 750 I N 2.313 122.972 120.570 0.147 0.000 2.404 750 I HA 0.703 4.873 4.170 -0.000 0.000 0.293 750 I C 0.020 176.244 176.117 0.179 0.000 0.992 750 I CA -0.847 60.551 61.300 0.164 0.000 1.149 750 I CB 1.591 39.728 38.000 0.228 0.000 1.315 750 I HN 0.703 nan 8.210 nan 0.000 0.446 751 A N 7.707 130.601 122.820 0.122 0.000 2.318 751 A HA 0.764 5.084 4.320 -0.000 0.000 0.317 751 A C -0.760 176.887 177.584 0.105 0.000 1.159 751 A CA -0.465 51.626 52.037 0.090 0.000 0.799 751 A CB 0.749 19.783 19.000 0.056 0.000 1.194 751 A HN 0.513 nan 8.150 nan 0.000 0.479 752 I N 4.656 125.288 120.570 0.103 0.000 2.359 752 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 752 I C -2.461 173.670 176.117 0.023 0.000 1.018 752 I CA -2.630 58.723 61.300 0.088 0.000 1.173 752 I CB 1.058 39.164 38.000 0.176 0.000 1.326 752 I HN 0.358 nan 8.210 nan 0.000 0.462 753 P HA 0.261 nan 4.420 nan 0.000 0.285 753 P C 0.055 177.333 177.300 -0.037 0.000 1.259 753 P CA -0.462 62.637 63.100 -0.001 0.000 0.794 753 P CB 1.601 33.305 31.700 0.007 0.000 0.940 754 K N 1.825 122.210 120.400 -0.025 0.000 2.379 754 K HA 0.146 4.465 4.320 -0.000 0.000 0.194 754 K C 1.467 178.042 176.600 -0.042 0.000 1.031 754 K CA 0.708 56.971 56.287 -0.039 0.000 1.037 754 K CB -0.498 31.988 32.500 -0.024 0.000 0.824 754 K HN 0.837 nan 8.250 nan 0.000 0.516 755 G N 1.778 110.560 108.800 -0.031 0.000 2.179 755 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.260 755 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.260 755 G C -0.239 174.649 174.900 -0.019 0.000 0.977 755 G CA 0.171 45.251 45.100 -0.034 0.000 0.641 755 G HN 0.387 nan 8.290 nan 0.000 0.533 756 E N 0.347 120.540 120.200 -0.011 0.000 2.176 756 E HA 0.495 4.844 4.350 -0.000 0.000 0.267 756 E C 0.265 176.868 176.600 0.005 0.000 0.893 756 E CA -0.786 55.611 56.400 -0.005 0.000 0.761 756 E CB 1.014 30.709 29.700 -0.009 0.000 1.133 756 E HN 0.174 nan 8.360 nan 0.000 0.409 757 E N 1.408 121.614 120.200 0.010 0.000 2.722 757 E HA -0.287 4.063 4.350 -0.000 0.000 0.265 757 E C 0.699 177.311 176.600 0.020 0.000 1.081 757 E CA 1.153 57.561 56.400 0.013 0.000 0.781 757 E CB -1.395 28.307 29.700 0.004 0.000 1.372 757 E HN 1.142 nan 8.360 nan 0.000 0.423 758 G N 0.076 108.899 108.800 0.037 0.000 2.162 758 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.260 758 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.260 758 G C 0.094 175.014 174.900 0.033 0.000 0.976 758 G CA 0.593 45.725 45.100 0.053 0.000 0.655 758 G HN 0.376 nan 8.290 nan 0.000 0.533 759 E N -0.216 119.994 120.200 0.016 0.000 2.414 759 E HA 0.457 4.806 4.350 -0.000 0.000 0.263 759 E C 0.327 176.928 176.600 0.002 0.000 1.000 759 E CA 0.477 56.877 56.400 0.001 0.000 0.914 759 E CB 0.673 30.369 29.700 -0.006 0.000 0.948 759 E HN 0.457 nan 8.360 nan 0.000 0.444 760 M N 2.491 122.085 119.600 -0.011 0.000 2.371 760 M HA 0.216 4.696 4.480 -0.000 0.000 0.287 760 M C -1.650 174.619 176.300 -0.052 0.000 1.149 760 M CA -0.451 54.840 55.300 -0.015 0.000 0.929 760 M CB 2.185 34.786 32.600 0.002 0.000 1.683 760 M HN 0.421 nan 8.290 nan 0.000 0.470 761 E N 3.966 124.124 120.200 -0.070 0.000 2.176 761 E HA 0.616 4.965 4.350 -0.000 0.000 0.267 761 E C -2.056 174.397 176.600 -0.245 0.000 0.893 761 E CA -0.613 55.683 56.400 -0.173 0.000 0.761 761 E CB 1.431 31.037 29.700 -0.157 0.000 1.133 761 E HN 0.600 nan 8.360 nan 0.000 0.409 762 L N 4.460 125.478 121.223 -0.342 0.000 2.346 762 L HA 0.498 4.837 4.340 -0.000 0.000 0.276 762 L C -1.047 175.533 176.870 -0.483 0.000 1.006 762 L CA -0.473 54.205 54.840 -0.271 0.000 0.817 762 L CB 1.239 43.233 42.059 -0.109 0.000 1.272 762 L HN 0.517 nan 8.230 nan 0.000 0.421 763 F N 2.438 122.396 119.950 0.013 0.000 2.411 763 F HA 0.720 5.247 4.527 -0.001 0.000 0.352 763 F C -0.113 175.688 175.800 0.002 0.000 1.123 763 F CA -0.863 57.139 58.000 0.004 0.000 1.044 763 F CB 1.648 40.652 39.000 0.007 0.000 1.135 763 F HN 0.021 nan 8.300 nan 0.000 0.461 764 V N 1.592 121.576 119.914 0.117 0.000 2.760 764 V HA 0.304 4.423 4.120 -0.000 0.000 0.309 764 V C -0.356 175.755 176.094 0.028 0.000 1.077 764 V CA -1.022 61.314 62.300 0.059 0.000 0.910 764 V CB 2.167 33.998 31.823 0.014 0.000 1.008 764 V HN 0.681 nan 8.190 nan 0.000 0.424 765 S N 2.832 118.535 115.700 0.004 0.000 3.483 765 S HA 0.418 4.888 4.470 -0.000 0.000 0.274 765 S C -0.094 174.441 174.600 -0.109 0.000 1.289 765 S CA 0.029 58.192 58.200 -0.061 0.000 0.938 765 S CB -0.415 62.722 63.200 -0.104 0.000 1.453 765 S HN 0.958 nan 8.310 nan 0.000 0.494 766 T N 2.883 117.389 114.554 -0.080 0.000 2.916 766 T HA 0.354 4.704 4.350 -0.000 0.000 0.305 766 T C 0.432 175.086 174.700 -0.076 0.000 1.119 766 T CA -0.540 61.514 62.100 -0.077 0.000 1.008 766 T CB 1.696 70.540 68.868 -0.040 0.000 1.129 766 T HN 0.513 nan 8.240 nan 0.000 0.480 767 Q N 1.670 121.430 119.800 -0.066 0.000 2.403 767 Q HA 0.206 4.545 4.340 -0.000 0.000 0.203 767 Q C 0.133 176.123 176.000 -0.017 0.000 0.932 767 Q CA 0.169 55.948 55.803 -0.040 0.000 0.945 767 Q CB 0.257 28.985 28.738 -0.017 0.000 1.045 767 Q HN 0.335 nan 8.270 nan 0.000 0.511 768 N N -0.322 118.356 118.700 -0.036 0.000 2.750 768 N HA 0.248 4.988 4.740 -0.000 0.000 0.253 768 N C -0.332 175.128 175.510 -0.083 0.000 1.408 768 N CA -0.031 52.989 53.050 -0.050 0.000 0.780 768 N CB 0.921 39.372 38.487 -0.060 0.000 1.191 768 N HN 0.074 nan 8.380 nan 0.000 0.511 769 A N 2.051 124.829 122.820 -0.070 0.000 1.972 769 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 769 A C 2.072 179.597 177.584 -0.097 0.000 1.169 769 A CA 1.601 53.590 52.037 -0.080 0.000 0.635 769 A CB -0.318 18.638 19.000 -0.072 0.000 0.810 769 A HN 0.694 nan 8.150 nan 0.000 0.446 770 M N -0.835 118.709 119.600 -0.094 0.000 2.077 770 M HA -0.033 4.446 4.480 -0.000 0.000 0.261 770 M C 1.596 177.790 176.300 -0.176 0.000 1.070 770 M CA 2.170 57.409 55.300 -0.101 0.000 1.125 770 M CB -0.326 32.231 32.600 -0.071 0.000 1.339 770 M HN -0.003 nan 8.290 nan 0.000 0.409 771 K N 0.292 120.530 120.400 -0.270 0.000 2.148 771 K HA -0.006 4.313 4.320 -0.000 0.000 0.204 771 K C 2.097 178.351 176.600 -0.575 0.000 1.050 771 K CA 1.793 57.740 56.287 -0.566 0.000 0.942 771 K CB -0.980 31.081 32.500 -0.733 0.000 0.724 771 K HN 0.558 nan 8.250 nan 0.000 0.446 772 T N 1.789 116.159 114.554 -0.306 0.000 2.652 772 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 772 T C 1.933 176.576 174.700 -0.096 0.000 1.039 772 T CA 1.582 63.587 62.100 -0.159 0.000 1.153 772 T CB -0.144 68.667 68.868 -0.094 0.000 0.863 772 T HN 0.358 nan 8.240 nan 0.000 0.428 773 Q N 0.482 120.222 119.800 -0.101 0.000 2.061 773 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 773 Q C 2.525 178.506 176.000 -0.032 0.000 0.984 773 Q CA 1.731 57.496 55.803 -0.064 0.000 0.846 773 Q CB -0.195 28.502 28.738 -0.069 0.000 0.902 773 Q HN 0.422 nan 8.270 nan 0.000 0.421 774 S N 0.110 115.782 115.700 -0.046 0.000 2.368 774 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 774 S C 1.561 176.281 174.600 0.199 0.000 1.030 774 S CA 0.993 59.217 58.200 0.039 0.000 0.999 774 S CB -0.269 62.942 63.200 0.018 0.000 0.844 774 S HN 0.355 nan 8.310 nan 0.000 0.459 775 F N 1.301 121.218 119.950 -0.054 0.000 2.186 775 F HA 0.015 4.542 4.527 -0.001 0.000 0.299 775 F C 2.401 178.156 175.800 -0.075 0.000 1.090 775 F CA -0.274 57.689 58.000 -0.062 0.000 1.307 775 F CB -1.393 37.574 39.000 -0.055 0.000 1.019 775 F HN 0.009 nan 8.300 nan 0.000 0.489 776 V N 0.211 120.199 119.914 0.122 0.000 2.295 776 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 776 V C 2.687 178.774 176.094 -0.011 0.000 1.049 776 V CA 1.788 64.102 62.300 0.024 0.000 1.024 776 V CB -1.397 30.427 31.823 0.003 0.000 0.648 776 V HN 0.310 nan 8.190 nan 0.000 0.447 777 A N -0.336 122.484 122.820 -0.000 0.000 1.908 777 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 777 A C 2.359 179.922 177.584 -0.035 0.000 1.181 777 A CA 2.382 54.406 52.037 -0.022 0.000 0.627 777 A CB -0.523 18.470 19.000 -0.012 0.000 0.818 777 A HN 0.538 nan 8.150 nan 0.000 0.445 778 K N -1.122 119.271 120.400 -0.013 0.000 2.057 778 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 778 K C 2.153 178.703 176.600 -0.084 0.000 1.050 778 K CA 1.480 57.742 56.287 -0.041 0.000 0.935 778 K CB -0.239 32.244 32.500 -0.030 0.000 0.715 778 K HN 0.441 nan 8.250 nan 0.000 0.439 779 M N 1.183 120.724 119.600 -0.097 0.000 2.117 779 M HA -0.152 4.327 4.480 -0.000 0.000 0.262 779 M C 1.715 177.910 176.300 -0.174 0.000 1.065 779 M CA 1.598 56.814 55.300 -0.141 0.000 1.114 779 M CB -0.357 32.152 32.600 -0.151 0.000 1.361 779 M HN 0.232 nan 8.290 nan 0.000 0.408 780 L N -0.369 120.747 121.223 -0.178 0.000 2.313 780 L HA 0.065 4.405 4.340 -0.000 0.000 0.214 780 L C 1.364 178.107 176.870 -0.212 0.000 1.119 780 L CA 0.624 55.303 54.840 -0.267 0.000 0.809 780 L CB -0.681 41.245 42.059 -0.220 0.000 0.933 780 L HN 0.633 nan 8.230 nan 0.000 0.449 781 G N 1.034 109.755 108.800 -0.132 0.000 2.198 781 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.257 781 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.257 781 G C 0.049 174.908 174.900 -0.069 0.000 1.042 781 G CA 0.280 45.325 45.100 -0.092 0.000 0.791 781 G HN 0.298 nan 8.290 nan 0.000 0.502 782 V N -3.551 116.325 119.914 -0.063 0.000 2.960 782 V HA 0.955 5.075 4.120 -0.000 0.000 0.315 782 V C -2.070 174.005 176.094 -0.031 0.000 1.087 782 V CA -2.924 59.352 62.300 -0.040 0.000 0.982 782 V CB 1.965 33.767 31.823 -0.034 0.000 1.039 782 V HN 0.043 nan 8.190 nan 0.000 0.437 783 P HA 0.231 nan 4.420 nan 0.000 0.269 783 P C 1.008 178.295 177.300 -0.021 0.000 1.209 783 P CA -0.115 62.972 63.100 -0.021 0.000 0.776 783 P CB 0.877 32.566 31.700 -0.018 0.000 0.876 784 V N 1.735 121.636 119.914 -0.021 0.000 2.469 784 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 784 V C 1.937 178.016 176.094 -0.024 0.000 1.064 784 V CA 2.293 64.579 62.300 -0.022 0.000 1.066 784 V CB -1.394 30.415 31.823 -0.022 0.000 0.667 784 V HN 0.692 nan 8.190 nan 0.000 0.461 785 N N 0.683 119.370 118.700 -0.022 0.000 2.585 785 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 785 N C 1.565 177.063 175.510 -0.021 0.000 1.102 785 N CA 0.970 54.008 53.050 -0.021 0.000 0.920 785 N CB -0.424 38.052 38.487 -0.018 0.000 0.963 785 N HN 0.313 nan 8.380 nan 0.000 0.447 786 R N -0.135 120.353 120.500 -0.020 0.000 2.240 786 R HA 0.204 4.544 4.340 -0.000 0.000 0.203 786 R C 0.017 176.302 176.300 -0.025 0.000 1.011 786 R CA 0.102 56.191 56.100 -0.018 0.000 1.007 786 R CB 0.093 30.385 30.300 -0.013 0.000 0.911 786 R HN 0.279 nan 8.270 nan 0.000 0.468 787 I N 1.927 122.478 120.570 -0.032 0.000 2.354 787 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 787 I C -0.328 175.754 176.117 -0.058 0.000 0.989 787 I CA -1.624 59.651 61.300 -0.043 0.000 1.188 787 I CB 1.313 39.290 38.000 -0.039 0.000 1.342 787 I HN -0.163 nan 8.210 nan 0.000 0.457 788 L N 8.538 129.712 121.223 -0.081 0.000 2.305 788 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 788 L C -0.785 175.992 176.870 -0.155 0.000 1.013 788 L CA -0.365 54.412 54.840 -0.106 0.000 0.819 788 L CB 1.625 43.619 42.059 -0.108 0.000 1.227 788 L HN 0.280 nan 8.230 nan 0.000 0.417 789 V N 5.998 125.828 119.914 -0.139 0.000 2.417 789 V HA 0.622 4.742 4.120 -0.000 0.000 0.291 789 V C -0.083 175.917 176.094 -0.157 0.000 1.024 789 V CA -0.624 61.581 62.300 -0.158 0.000 0.861 789 V CB 1.649 33.407 31.823 -0.108 0.000 0.985 789 V HN 0.712 nan 8.190 nan 0.000 0.436 790 R N 3.175 123.553 120.500 -0.203 0.000 2.534 790 R HA 0.792 5.132 4.340 -0.000 0.000 0.301 790 R C -1.596 174.687 176.300 -0.028 0.000 0.961 790 R CA -0.673 55.352 56.100 -0.125 0.000 0.871 790 R CB 2.472 32.672 30.300 -0.166 0.000 1.170 790 R HN 0.504 nan 8.270 nan 0.000 0.446 791 V N 3.557 123.464 119.914 -0.011 0.000 2.380 791 V HA 0.172 4.292 4.120 -0.000 0.000 0.286 791 V C 0.719 176.821 176.094 0.012 0.000 1.015 791 V CA -0.666 61.639 62.300 0.007 0.000 0.834 791 V CB 1.423 33.228 31.823 -0.030 0.000 1.009 791 V HN 0.795 nan 8.190 nan 0.000 0.428 792 K N 4.465 124.884 120.400 0.031 0.000 2.021 792 K HA 0.166 4.485 4.320 -0.000 0.000 0.205 792 K C 0.742 177.336 176.600 -0.010 0.000 1.047 792 K CA 1.019 57.307 56.287 0.003 0.000 0.943 792 K CB 0.351 32.841 32.500 -0.017 0.000 0.725 792 K HN 0.798 nan 8.250 nan 0.000 0.439 793 R N -1.078 119.395 120.500 -0.045 0.000 2.712 793 R HA 0.341 4.681 4.340 -0.000 0.000 0.272 793 R C -1.495 174.795 176.300 -0.017 0.000 1.032 793 R CA -0.889 55.176 56.100 -0.058 0.000 0.874 793 R CB 0.779 30.997 30.300 -0.137 0.000 1.256 793 R HN -0.078 nan 8.270 nan 0.000 0.468 794 M N 0.736 120.335 119.600 -0.001 0.000 2.436 794 M HA 0.392 4.871 4.480 -0.000 0.000 0.331 794 M C 0.558 176.936 176.300 0.129 0.000 1.135 794 M CA -0.659 54.654 55.300 0.023 0.000 0.987 794 M CB 2.371 34.905 32.600 -0.110 0.000 1.687 794 M HN 0.936 nan 8.290 nan 0.000 0.445 795 G N 1.815 110.713 108.800 0.163 0.000 3.401 795 G HA2 0.481 4.441 3.960 -0.000 0.000 0.251 795 G HA3 0.481 4.441 3.960 -0.000 0.000 0.251 795 G C 0.373 175.294 174.900 0.034 0.000 0.960 795 G CA 0.279 45.423 45.100 0.074 0.000 1.900 795 G HN 1.099 nan 8.290 nan 0.000 0.645 796 G N -1.283 107.484 108.800 -0.054 0.000 2.719 796 G HA2 0.355 4.315 3.960 -0.000 0.000 0.686 796 G HA3 0.355 4.315 3.960 -0.000 0.000 0.686 796 G C 0.532 175.256 174.900 -0.293 0.000 1.201 796 G CA -0.333 44.626 45.100 -0.236 0.000 0.768 796 G HN 1.208 nan 8.290 nan 0.000 0.629 797 G N -0.650 107.811 108.800 -0.565 0.000 2.645 797 G HA2 0.541 4.500 3.960 -0.000 0.000 0.208 797 G HA3 0.541 4.500 3.960 -0.000 0.000 0.208 797 G C 0.836 175.696 174.900 -0.067 0.000 1.264 797 G CA 0.828 45.757 45.100 -0.284 0.000 0.586 797 G HN 1.726 nan 8.290 nan 0.000 0.952 798 F N 0.867 120.850 119.950 0.054 0.000 3.069 798 F HA -0.196 4.330 4.527 -0.000 0.000 0.285 798 F C 1.969 177.802 175.800 0.054 0.000 0.827 798 F CA 0.956 58.982 58.000 0.043 0.000 1.108 798 F CB -1.442 37.534 39.000 -0.039 0.000 1.252 798 F HN 1.133 nan 8.300 nan 0.000 0.483 799 G N -1.030 107.856 108.800 0.143 0.000 2.258 799 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 799 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 799 G C 1.146 176.088 174.900 0.069 0.000 1.006 799 G CA 0.140 45.358 45.100 0.198 0.000 0.620 799 G HN 1.228 nan 8.290 nan 0.000 0.511 800 G N 0.056 108.654 108.800 -0.337 0.000 2.598 800 G HA2 0.196 4.156 3.960 -0.000 0.000 0.215 800 G HA3 0.196 4.156 3.960 -0.000 0.000 0.215 800 G C 1.177 176.026 174.900 -0.086 0.000 1.131 800 G CA 1.330 46.033 45.100 -0.663 0.000 0.785 800 G HN 0.529 nan 8.290 nan 0.000 0.539 801 K N -0.184 120.156 120.400 -0.099 0.000 2.455 801 K HA 0.192 4.512 4.320 -0.000 0.000 0.206 801 K C 1.419 178.025 176.600 0.009 0.000 1.027 801 K CA -0.132 56.118 56.287 -0.062 0.000 1.113 801 K CB 0.699 33.035 32.500 -0.272 0.000 0.850 801 K HN 0.328 nan 8.250 nan 0.000 0.503 802 E N 0.827 121.065 120.200 0.064 0.000 2.072 802 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 802 E C 1.307 177.960 176.600 0.088 0.000 0.982 802 E CA 1.837 58.295 56.400 0.097 0.000 0.803 802 E CB 0.426 30.233 29.700 0.178 0.000 0.755 802 E HN 0.294 nan 8.360 nan 0.000 0.453 803 T N -3.046 111.580 114.554 0.120 0.000 3.168 803 T HA 0.199 4.548 4.350 -0.000 0.000 0.261 803 T C 1.586 176.361 174.700 0.126 0.000 0.931 803 T CA -0.578 61.588 62.100 0.110 0.000 0.949 803 T CB -0.076 68.895 68.868 0.172 0.000 1.229 803 T HN -0.093 nan 8.240 nan 0.000 0.504 804 R N 2.697 123.280 120.500 0.138 0.000 2.280 804 R HA 0.170 4.510 4.340 -0.000 0.000 0.207 804 R C 2.578 178.861 176.300 -0.028 0.000 1.043 804 R CA 1.083 57.230 56.100 0.079 0.000 1.006 804 R CB -1.112 29.233 30.300 0.075 0.000 0.885 804 R HN 0.739 nan 8.270 nan 0.000 0.467 805 S N 0.218 115.985 115.700 0.113 0.000 2.442 805 S HA -0.150 4.320 4.470 -0.000 0.000 0.236 805 S C 1.911 176.550 174.600 0.065 0.000 1.007 805 S CA 1.546 59.843 58.200 0.161 0.000 0.965 805 S CB -0.608 62.716 63.200 0.206 0.000 0.773 805 S HN 0.459 nan 8.310 nan 0.000 0.504 806 T N 0.701 115.298 114.554 0.073 0.000 2.995 806 T HA 0.152 4.502 4.350 -0.000 0.000 0.269 806 T C 1.717 176.464 174.700 0.077 0.000 1.091 806 T CA 0.676 62.841 62.100 0.109 0.000 1.128 806 T CB -0.793 68.234 68.868 0.265 0.000 0.891 806 T HN 0.402 nan 8.240 nan 0.000 0.492 807 L N 0.553 121.798 121.223 0.036 0.000 2.042 807 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 807 L C 2.848 179.724 176.870 0.009 0.000 1.076 807 L CA 1.137 55.983 54.840 0.011 0.000 0.749 807 L CB -0.639 41.415 42.059 -0.008 0.000 0.893 807 L HN 0.220 nan 8.230 nan 0.000 0.432 808 V N -1.672 118.245 119.914 0.005 0.000 2.446 808 V HA -0.139 3.980 4.120 -0.000 0.000 0.244 808 V C 2.477 178.598 176.094 0.045 0.000 1.039 808 V CA 1.509 63.834 62.300 0.040 0.000 1.045 808 V CB 0.191 32.049 31.823 0.058 0.000 0.681 808 V HN 0.309 nan 8.190 nan 0.000 0.459 809 S N 0.318 116.044 115.700 0.043 0.000 2.368 809 S HA -0.165 4.304 4.470 -0.000 0.000 0.225 809 S C 2.011 176.622 174.600 0.019 0.000 1.030 809 S CA 1.559 59.782 58.200 0.038 0.000 0.999 809 S CB -0.182 63.039 63.200 0.035 0.000 0.844 809 S HN 0.378 nan 8.310 nan 0.000 0.459 810 V N 1.830 121.745 119.914 0.002 0.000 2.379 810 V HA -0.123 3.996 4.120 -0.000 0.000 0.245 810 V C 2.612 178.647 176.094 -0.099 0.000 1.044 810 V CA 1.515 63.785 62.300 -0.049 0.000 1.036 810 V CB -1.184 30.595 31.823 -0.073 0.000 0.664 810 V HN 0.525 nan 8.190 nan 0.000 0.453 811 A N -0.088 122.679 122.820 -0.088 0.000 1.902 811 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 811 A C 2.385 180.004 177.584 0.058 0.000 1.181 811 A CA 2.087 54.108 52.037 -0.027 0.000 0.623 811 A CB -0.642 18.425 19.000 0.112 0.000 0.818 811 A HN 0.334 nan 8.150 nan 0.000 0.443 812 V N -0.211 119.734 119.914 0.052 0.000 2.358 812 V HA -0.202 3.917 4.120 -0.000 0.000 0.246 812 V C 3.047 179.172 176.094 0.052 0.000 1.047 812 V CA 1.747 64.082 62.300 0.059 0.000 1.035 812 V CB -1.198 30.660 31.823 0.059 0.000 0.658 812 V HN 0.612 nan 8.190 nan 0.000 0.452 813 A N 0.009 122.850 122.820 0.035 0.000 1.908 813 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 813 A C 2.173 179.797 177.584 0.068 0.000 1.181 813 A CA 2.219 54.278 52.037 0.038 0.000 0.627 813 A CB -0.599 18.405 19.000 0.007 0.000 0.818 813 A HN 0.463 nan 8.150 nan 0.000 0.445 814 L N -0.370 120.880 121.223 0.046 0.000 2.083 814 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 814 L C 2.632 179.600 176.870 0.164 0.000 1.083 814 L CA 2.137 57.036 54.840 0.098 0.000 0.752 814 L CB -0.784 41.308 42.059 0.055 0.000 0.899 814 L HN 0.337 nan 8.230 nan 0.000 0.433 815 A N -0.481 122.406 122.820 0.110 0.000 1.902 815 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 815 A C 2.458 180.080 177.584 0.063 0.000 1.181 815 A CA 1.741 53.822 52.037 0.072 0.000 0.623 815 A CB -1.150 17.878 19.000 0.046 0.000 0.818 815 A HN 0.564 nan 8.150 nan 0.000 0.443 816 A N -1.218 121.649 122.820 0.079 0.000 1.877 816 A HA -0.113 4.206 4.320 -0.000 0.000 0.216 816 A C 2.160 179.794 177.584 0.082 0.000 1.186 816 A CA 1.713 53.794 52.037 0.073 0.000 0.620 816 A CB -0.907 18.136 19.000 0.071 0.000 0.822 816 A HN 0.819 nan 8.150 nan 0.000 0.443 817 Y N 0.579 120.884 120.300 0.007 0.000 2.145 817 Y HA -0.211 4.339 4.550 -0.001 0.000 0.286 817 Y C 2.356 178.262 175.900 0.010 0.000 1.145 817 Y CA 2.480 60.583 58.100 0.004 0.000 1.148 817 Y CB -0.146 38.313 38.460 -0.002 0.000 0.981 817 Y HN 0.201 nan 8.280 nan 0.000 0.507 818 K N 0.023 120.372 120.400 -0.086 0.000 2.057 818 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 818 K C 1.994 178.494 176.600 -0.167 0.000 1.050 818 K CA 2.075 58.251 56.287 -0.185 0.000 0.935 818 K CB -0.648 31.870 32.500 0.030 0.000 0.715 818 K HN 0.607 nan 8.250 nan 0.000 0.439 819 T N -3.523 110.982 114.554 -0.081 0.000 3.035 819 T HA 0.122 4.472 4.350 -0.000 0.000 0.259 819 T C 1.487 176.235 174.700 0.080 0.000 1.078 819 T CA 1.080 63.156 62.100 -0.040 0.000 1.132 819 T CB -0.113 68.701 68.868 -0.089 0.000 0.900 819 T HN 0.361 nan 8.240 nan 0.000 0.480 820 G N 1.056 109.867 108.800 0.019 0.000 2.184 820 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 820 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 820 G C -0.115 174.808 174.900 0.039 0.000 0.975 820 G CA 0.388 45.493 45.100 0.007 0.000 0.642 820 G HN 0.773 nan 8.290 nan 0.000 0.536 821 H N 0.845 119.873 119.070 -0.069 0.000 2.502 821 H HA 0.549 5.104 4.556 -0.000 0.000 0.338 821 H C -2.216 173.080 175.328 -0.054 0.000 1.155 821 H CA -1.904 54.106 56.048 -0.064 0.000 1.237 821 H CB 1.021 30.752 29.762 -0.051 0.000 1.534 821 H HN 0.061 nan 8.280 nan 0.000 0.523 822 P HA 0.035 nan 4.420 nan 0.000 0.266 822 P C -0.844 176.476 177.300 0.033 0.000 1.195 822 P CA 0.174 63.311 63.100 0.061 0.000 0.768 822 P CB 0.629 32.403 31.700 0.124 0.000 0.838 823 V N 3.567 123.483 119.914 0.004 0.000 2.971 823 V HA 0.642 4.762 4.120 -0.000 0.000 0.309 823 V C 0.030 176.078 176.094 -0.075 0.000 1.130 823 V CA -0.687 61.570 62.300 -0.072 0.000 0.964 823 V CB 2.300 34.112 31.823 -0.019 0.000 1.029 823 V HN 0.615 nan 8.190 nan 0.000 0.427 824 R N 1.750 122.147 120.500 -0.172 0.000 2.836 824 R HA 0.931 5.270 4.340 -0.000 0.000 0.269 824 R C -1.483 174.843 176.300 0.043 0.000 1.010 824 R CA -0.650 55.415 56.100 -0.059 0.000 0.930 824 R CB 1.870 32.126 30.300 -0.073 0.000 1.218 824 R HN 0.727 nan 8.270 nan 0.000 0.473 825 C N 2.882 122.245 119.300 0.104 0.000 2.752 825 C HA 0.599 5.059 4.460 -0.000 0.000 0.360 825 C C -0.955 174.117 174.990 0.137 0.000 1.081 825 C CA -0.594 58.514 59.018 0.150 0.000 1.272 825 C CB 1.264 29.081 27.740 0.128 0.000 1.754 825 C HN 0.993 nan 8.230 nan 0.000 0.483 826 M N 6.773 126.461 119.600 0.148 0.000 2.311 826 M HA 0.577 5.057 4.480 -0.000 0.000 0.325 826 M C -1.252 175.113 176.300 0.109 0.000 1.061 826 M CA -0.562 54.807 55.300 0.115 0.000 0.957 826 M CB 1.178 33.837 32.600 0.098 0.000 1.646 826 M HN 0.710 nan 8.290 nan 0.000 0.434 827 L N 3.775 125.064 121.223 0.110 0.000 2.397 827 L HA 0.219 4.558 4.340 -0.000 0.000 0.271 827 L C 0.240 177.159 176.870 0.081 0.000 1.148 827 L CA -0.416 54.488 54.840 0.106 0.000 0.825 827 L CB 0.372 42.509 42.059 0.131 0.000 1.117 827 L HN 0.665 nan 8.230 nan 0.000 0.456 828 D N 1.055 121.497 120.400 0.071 0.000 2.357 828 D HA 0.005 4.645 4.640 -0.000 0.000 0.242 828 D C 0.936 177.261 176.300 0.041 0.000 1.153 828 D CA -0.217 53.813 54.000 0.050 0.000 0.918 828 D CB 1.133 41.962 40.800 0.048 0.000 1.181 828 D HN 0.344 nan 8.370 nan 0.000 0.435 829 R N 1.999 122.505 120.500 0.009 0.000 2.091 829 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 829 R C 1.609 177.904 176.300 -0.008 0.000 1.136 829 R CA 1.868 57.943 56.100 -0.041 0.000 0.959 829 R CB -0.478 29.773 30.300 -0.081 0.000 0.856 829 R HN 0.548 nan 8.270 nan 0.000 0.437 830 N N 0.487 119.203 118.700 0.026 0.000 2.166 830 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 830 N C 1.250 176.790 175.510 0.050 0.000 1.019 830 N CA 1.866 54.940 53.050 0.040 0.000 0.856 830 N CB -0.472 38.047 38.487 0.052 0.000 0.993 830 N HN 0.483 nan 8.380 nan 0.000 0.426 831 E N 0.327 120.565 120.200 0.063 0.000 2.051 831 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 831 E C 1.429 178.079 176.600 0.083 0.000 0.991 831 E CA 1.052 57.499 56.400 0.079 0.000 0.799 831 E CB -0.136 29.617 29.700 0.089 0.000 0.748 831 E HN 0.430 nan 8.360 nan 0.000 0.449 832 D N 0.699 121.153 120.400 0.091 0.000 2.092 832 D HA -0.166 4.473 4.640 -0.000 0.000 0.193 832 D C 2.039 178.405 176.300 0.109 0.000 0.994 832 D CA 1.187 55.271 54.000 0.140 0.000 0.828 832 D CB 0.043 40.958 40.800 0.192 0.000 0.963 832 D HN 0.142 nan 8.370 nan 0.000 0.450 833 M N -0.114 119.508 119.600 0.038 0.000 2.159 833 M HA -0.169 4.310 4.480 -0.000 0.000 0.263 833 M C 2.352 178.669 176.300 0.029 0.000 1.063 833 M CA 0.779 56.077 55.300 -0.003 0.000 1.110 833 M CB -0.132 32.429 32.600 -0.066 0.000 1.374 833 M HN 0.071 nan 8.290 nan 0.000 0.411 834 L N 0.432 121.683 121.223 0.047 0.000 2.044 834 L HA -0.059 4.280 4.340 -0.000 0.000 0.205 834 L C 1.989 178.913 176.870 0.090 0.000 1.075 834 L CA 1.808 56.688 54.840 0.066 0.000 0.747 834 L CB -0.184 41.916 42.059 0.069 0.000 0.903 834 L HN 0.180 nan 8.230 nan 0.000 0.435 835 I N -1.279 119.345 120.570 0.090 0.000 2.585 835 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 835 I C 1.927 178.091 176.117 0.079 0.000 1.129 835 I CA 1.196 62.551 61.300 0.090 0.000 1.455 835 I CB -0.397 37.653 38.000 0.083 0.000 1.111 835 I HN 0.376 nan 8.210 nan 0.000 0.433 836 T N -1.436 113.168 114.554 0.084 0.000 3.107 836 T HA 0.425 4.774 4.350 -0.000 0.000 0.249 836 T C 0.959 175.754 174.700 0.158 0.000 1.096 836 T CA 0.237 62.376 62.100 0.066 0.000 1.012 836 T CB -0.172 68.711 68.868 0.025 0.000 0.977 836 T HN 0.497 nan 8.240 nan 0.000 0.527 837 G N -0.744 108.156 108.800 0.166 0.000 2.733 837 G HA2 0.367 4.326 3.960 -0.000 0.000 0.686 837 G HA3 0.367 4.326 3.960 -0.000 0.000 0.686 837 G C -0.122 174.944 174.900 0.277 0.000 1.373 837 G CA -0.583 44.627 45.100 0.183 0.000 0.838 837 G HN 1.079 nan 8.290 nan 0.000 0.588 838 G N -0.565 108.355 108.800 0.200 0.000 3.166 838 G HA2 0.777 4.737 3.960 -0.000 0.000 0.267 838 G HA3 0.777 4.737 3.960 -0.000 0.000 0.267 838 G C 0.007 175.021 174.900 0.191 0.000 1.256 838 G CA -0.042 45.152 45.100 0.157 0.000 0.859 838 G HN 0.865 nan 8.290 nan 0.000 0.590 839 R N 0.075 120.699 120.500 0.207 0.000 2.643 839 R HA 0.123 4.463 4.340 -0.000 0.000 0.270 839 R C -0.334 176.051 176.300 0.141 0.000 1.061 839 R CA -0.286 55.931 56.100 0.194 0.000 1.107 839 R CB 0.035 30.266 30.300 -0.114 0.000 0.999 839 R HN 0.592 nan 8.270 nan 0.000 0.460 840 H N 4.606 123.763 119.070 0.144 0.000 2.899 840 H HA 0.091 4.647 4.556 -0.001 0.000 0.303 840 H C -1.923 173.538 175.328 0.221 0.000 1.042 840 H CA -1.532 54.632 56.048 0.193 0.000 1.479 840 H CB 0.731 30.661 29.762 0.280 0.000 1.493 840 H HN 0.407 nan 8.280 nan 0.000 0.534 841 P HA 0.002 nan 4.420 nan 0.000 0.269 841 P C -0.674 176.789 177.300 0.273 0.000 1.209 841 P CA 0.604 63.770 63.100 0.111 0.000 0.776 841 P CB 0.394 32.172 31.700 0.130 0.000 0.876 842 F N 1.724 121.618 119.950 -0.095 0.000 2.551 842 F HA 0.495 5.021 4.527 -0.001 0.000 0.316 842 F C -0.175 175.716 175.800 0.151 0.000 1.089 842 F CA -1.080 56.974 58.000 0.090 0.000 0.915 842 F CB 1.691 40.762 39.000 0.119 0.000 1.186 842 F HN 0.092 nan 8.300 nan 0.000 0.456 843 L N 3.394 124.870 121.223 0.421 0.000 2.329 843 L HA 0.890 5.230 4.340 -0.000 0.000 0.279 843 L C -1.031 176.125 176.870 0.477 0.000 1.014 843 L CA -0.319 54.808 54.840 0.478 0.000 0.814 843 L CB 1.532 43.838 42.059 0.412 0.000 1.257 843 L HN 0.617 nan 8.230 nan 0.000 0.424 844 A N 5.092 128.164 122.820 0.420 0.000 2.371 844 A HA 0.857 5.177 4.320 -0.000 0.000 0.311 844 A C -0.872 176.925 177.584 0.356 0.000 1.068 844 A CA -0.723 51.517 52.037 0.338 0.000 0.744 844 A CB 1.116 20.274 19.000 0.264 0.000 1.239 844 A HN 0.729 nan 8.150 nan 0.000 0.435 845 R N 1.138 121.810 120.500 0.286 0.000 2.437 845 R HA 0.590 4.930 4.340 -0.000 0.000 0.310 845 R C -1.528 174.874 176.300 0.170 0.000 0.955 845 R CA -0.407 55.804 56.100 0.184 0.000 0.851 845 R CB 1.572 31.964 30.300 0.153 0.000 1.161 845 R HN 0.811 nan 8.270 nan 0.000 0.446 846 Y N -0.738 119.596 120.300 0.057 0.000 2.581 846 Y HA 0.642 5.192 4.550 -0.000 0.000 0.345 846 Y C -1.053 174.854 175.900 0.012 0.000 1.036 846 Y CA -1.324 56.790 58.100 0.023 0.000 1.042 846 Y CB 1.975 40.469 38.460 0.057 0.000 1.289 846 Y HN 0.307 nan 8.280 nan 0.000 0.471 847 K N 2.680 123.156 120.400 0.126 0.000 2.615 847 K HA 0.623 4.942 4.320 -0.000 0.000 0.249 847 K C -2.515 174.210 176.600 0.208 0.000 0.977 847 K CA -0.742 55.592 56.287 0.078 0.000 0.833 847 K CB 2.510 34.971 32.500 -0.066 0.000 1.208 847 K HN 0.811 nan 8.250 nan 0.000 0.443 848 V N 3.171 123.210 119.914 0.207 0.000 2.540 848 V HA 0.793 4.913 4.120 -0.000 0.000 0.302 848 V C -0.494 175.801 176.094 0.334 0.000 1.035 848 V CA -0.244 62.111 62.300 0.092 0.000 0.873 848 V CB 1.620 33.281 31.823 -0.270 0.000 0.992 848 V HN 0.845 nan 8.190 nan 0.000 0.428 849 G N 5.888 114.795 108.800 0.178 0.000 2.415 849 G HA2 0.771 4.731 3.960 -0.000 0.000 0.327 849 G HA3 0.771 4.731 3.960 -0.000 0.000 0.327 849 G C -1.232 173.705 174.900 0.061 0.000 1.182 849 G CA -0.545 44.600 45.100 0.075 0.000 0.924 849 G HN 1.036 nan 8.290 nan 0.000 0.470 850 F N 0.262 120.184 119.950 -0.046 0.000 2.662 850 F HA 0.738 5.265 4.527 -0.000 0.000 0.312 850 F C -0.519 175.264 175.800 -0.029 0.000 1.113 850 F CA -1.881 56.085 58.000 -0.057 0.000 0.951 850 F CB 1.291 40.269 39.000 -0.037 0.000 1.344 850 F HN 0.234 nan 8.300 nan 0.000 0.462 851 M N 1.401 121.083 119.600 0.138 0.000 2.197 851 M HA 0.337 4.817 4.480 -0.000 0.000 0.305 851 M C 1.003 177.402 176.300 0.165 0.000 1.162 851 M CA -0.386 54.955 55.300 0.068 0.000 1.099 851 M CB 0.994 33.619 32.600 0.041 0.000 1.430 851 M HN 0.826 nan 8.290 nan 0.000 0.481 852 K N 0.185 120.641 120.400 0.092 0.000 2.360 852 K HA -0.118 4.202 4.320 -0.000 0.000 0.201 852 K C 1.515 178.186 176.600 0.119 0.000 1.046 852 K CA 1.663 58.019 56.287 0.116 0.000 0.940 852 K CB -0.352 32.186 32.500 0.062 0.000 0.748 852 K HN 0.875 nan 8.250 nan 0.000 0.465 853 T N -3.202 111.410 114.554 0.096 0.000 3.085 853 T HA 0.088 4.438 4.350 -0.000 0.000 0.263 853 T C 1.463 176.207 174.700 0.074 0.000 1.127 853 T CA 0.648 62.792 62.100 0.073 0.000 1.103 853 T CB 0.180 69.078 68.868 0.050 0.000 0.921 853 T HN 0.335 nan 8.240 nan 0.000 0.510 854 G N 0.766 109.637 108.800 0.118 0.000 2.176 854 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 854 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 854 G C 0.192 175.105 174.900 0.022 0.000 0.979 854 G CA 0.082 45.213 45.100 0.052 0.000 0.641 854 G HN 0.688 nan 8.290 nan 0.000 0.530 855 T N 2.722 117.305 114.554 0.049 0.000 2.853 855 T HA 0.445 4.795 4.350 -0.000 0.000 0.298 855 T C 0.966 175.690 174.700 0.039 0.000 0.978 855 T CA 0.043 62.148 62.100 0.008 0.000 1.152 855 T CB 0.826 69.691 68.868 -0.005 0.000 0.914 855 T HN 0.237 nan 8.240 nan 0.000 0.539 856 I N 5.010 125.571 120.570 -0.016 0.000 2.416 856 I HA 0.102 4.272 4.170 -0.000 0.000 0.288 856 I C 1.445 177.511 176.117 -0.085 0.000 1.051 856 I CA -0.127 61.154 61.300 -0.031 0.000 1.375 856 I CB 0.734 38.683 38.000 -0.084 0.000 1.407 856 I HN 0.535 nan 8.210 nan 0.000 0.516 857 V N 2.826 122.671 119.914 -0.116 0.000 3.612 857 V HA 0.689 4.809 4.120 -0.000 0.000 0.268 857 V C 0.521 176.433 176.094 -0.303 0.000 1.365 857 V CA 0.331 62.527 62.300 -0.174 0.000 1.044 857 V CB 0.520 32.256 31.823 -0.144 0.000 0.820 857 V HN 0.767 nan 8.190 nan 0.000 0.444 858 A N 0.615 123.177 122.820 -0.430 0.000 2.566 858 A HA 0.835 5.154 4.320 -0.000 0.000 0.297 858 A C -1.840 175.390 177.584 -0.589 0.000 1.059 858 A CA -0.402 51.216 52.037 -0.697 0.000 0.691 858 A CB 2.166 20.267 19.000 -1.498 0.000 1.282 858 A HN 0.826 nan 8.150 nan 0.000 0.401 859 L N 0.808 121.791 121.223 -0.401 0.000 2.505 859 L HA 0.742 5.081 4.340 -0.000 0.000 0.266 859 L C -0.767 176.074 176.870 -0.048 0.000 0.954 859 L CA 0.054 54.738 54.840 -0.260 0.000 0.852 859 L CB 1.962 43.788 42.059 -0.388 0.000 1.282 859 L HN 0.820 nan 8.230 nan 0.000 0.403 860 E N 4.037 124.288 120.200 0.085 0.000 2.218 860 E HA 0.698 5.048 4.350 -0.000 0.000 0.263 860 E C -1.944 174.702 176.600 0.078 0.000 0.879 860 E CA -0.653 55.816 56.400 0.116 0.000 0.762 860 E CB 1.843 31.658 29.700 0.191 0.000 1.166 860 E HN 0.501 nan 8.360 nan 0.000 0.415 861 V N 4.175 124.125 119.914 0.061 0.000 2.525 861 V HA 0.295 4.415 4.120 -0.000 0.000 0.299 861 V C -0.949 175.113 176.094 -0.053 0.000 1.034 861 V CA -1.022 61.281 62.300 0.006 0.000 0.863 861 V CB 1.898 33.684 31.823 -0.061 0.000 0.999 861 V HN 0.694 nan 8.190 nan 0.000 0.423 862 D N 2.893 123.254 120.400 -0.064 0.000 2.329 862 D HA 0.442 5.082 4.640 -0.000 0.000 0.232 862 D C -0.416 175.745 176.300 -0.231 0.000 1.088 862 D CA -0.191 53.734 54.000 -0.125 0.000 0.835 862 D CB 1.091 41.868 40.800 -0.039 0.000 1.078 862 D HN 0.597 nan 8.370 nan 0.000 0.495 863 H N 1.193 120.124 119.070 -0.232 0.000 2.472 863 H HA 0.434 4.990 4.556 -0.000 0.000 0.335 863 H C -0.724 174.270 175.328 -0.556 0.000 1.136 863 H CA -0.315 55.657 56.048 -0.128 0.000 1.264 863 H CB 0.864 30.683 29.762 0.095 0.000 1.486 863 H HN 0.308 nan 8.280 nan 0.000 0.517 864 Y N 0.241 120.547 120.300 0.009 0.000 2.354 864 Y HA 0.316 4.866 4.550 -0.001 0.000 0.330 864 Y C -0.342 175.337 175.900 -0.368 0.000 1.011 864 Y CA -0.977 57.052 58.100 -0.118 0.000 1.099 864 Y CB 1.792 40.268 38.460 0.028 0.000 1.179 864 Y HN 0.669 nan 8.280 nan 0.000 0.442 865 S N 1.612 117.075 115.700 -0.395 0.000 2.565 865 S HA 0.382 4.852 4.470 -0.000 0.000 0.290 865 S C -0.528 174.071 174.600 -0.003 0.000 1.150 865 S CA -0.935 56.979 58.200 -0.477 0.000 1.058 865 S CB 1.473 64.303 63.200 -0.618 0.000 1.032 865 S HN 0.634 nan 8.310 nan 0.000 0.510 866 N N 1.387 120.138 118.700 0.085 0.000 2.439 866 N HA 0.340 5.079 4.740 -0.000 0.000 0.243 866 N C 0.715 176.283 175.510 0.096 0.000 1.088 866 N CA -0.184 52.923 53.050 0.094 0.000 0.940 866 N CB 1.059 39.587 38.487 0.070 0.000 1.180 866 N HN 0.793 nan 8.380 nan 0.000 0.505 867 A N 2.567 125.489 122.820 0.169 0.000 2.072 867 A HA 0.357 4.677 4.320 -0.000 0.000 0.216 867 A C 1.225 178.879 177.584 0.115 0.000 1.156 867 A CA 0.942 53.114 52.037 0.226 0.000 0.701 867 A CB -0.641 18.619 19.000 0.432 0.000 0.816 867 A HN 0.866 nan 8.150 nan 0.000 0.458 868 G N 0.643 109.495 108.800 0.086 0.000 2.593 868 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.237 868 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.237 868 G C 0.241 175.219 174.900 0.131 0.000 1.312 868 G CA 0.270 45.397 45.100 0.045 0.000 0.896 868 G HN 1.084 nan 8.290 nan 0.000 0.574 869 N N 0.417 119.153 118.700 0.059 0.000 2.268 869 N HA 0.307 5.047 4.740 -0.000 0.000 0.204 869 N C 0.546 176.112 175.510 0.093 0.000 1.124 869 N CA 1.203 54.284 53.050 0.051 0.000 0.838 869 N CB 0.068 38.488 38.487 -0.111 0.000 0.994 869 N HN 1.723 nan 8.380 nan 0.000 0.489 870 S N -1.433 114.310 115.700 0.073 0.000 2.625 870 S HA 0.495 4.965 4.470 -0.000 0.000 0.271 870 S C 0.481 174.876 174.600 -0.342 0.000 1.161 870 S CA -0.904 57.247 58.200 -0.082 0.000 0.820 870 S CB 2.024 65.215 63.200 -0.015 0.000 1.137 870 S HN -0.009 nan 8.310 nan 0.000 0.470 871 R N 0.639 120.833 120.500 -0.510 0.000 2.062 871 R HA 0.097 4.436 4.340 -0.000 0.000 0.231 871 R C 0.866 177.138 176.300 -0.045 0.000 1.136 871 R CA 1.554 57.350 56.100 -0.507 0.000 0.948 871 R CB -0.806 29.195 30.300 -0.497 0.000 0.845 871 R HN 0.903 nan 8.270 nan 0.000 0.430 872 D N -1.087 119.411 120.400 0.163 0.000 3.417 872 D HA -0.292 4.348 4.640 -0.000 0.000 0.163 872 D C 0.175 176.696 176.300 0.368 0.000 1.070 872 D CA 2.062 56.230 54.000 0.279 0.000 1.047 872 D CB -0.797 40.132 40.800 0.215 0.000 0.514 872 D HN 0.092 nan 8.370 nan 0.000 0.532 873 L N 0.292 121.712 121.223 0.328 0.000 2.629 873 L HA 0.230 4.569 4.340 -0.000 0.000 0.230 873 L C 2.043 179.002 176.870 0.148 0.000 1.151 873 L CA 0.177 55.221 54.840 0.340 0.000 0.924 873 L CB -0.028 42.283 42.059 0.420 0.000 1.137 873 L HN 0.175 nan 8.230 nan 0.000 0.457 874 S N -0.562 115.211 115.700 0.121 0.000 2.383 874 S HA -0.274 4.196 4.470 -0.000 0.000 0.229 874 S C 1.873 176.419 174.600 -0.091 0.000 1.030 874 S CA 1.658 59.842 58.200 -0.028 0.000 1.002 874 S CB -0.250 63.040 63.200 0.150 0.000 0.829 874 S HN 0.605 nan 8.310 nan 0.000 0.467 875 H N 1.188 120.201 119.070 -0.094 0.000 2.293 875 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 875 H C 2.207 177.509 175.328 -0.043 0.000 1.082 875 H CA 1.921 57.906 56.048 -0.106 0.000 1.308 875 H CB -0.251 29.414 29.762 -0.160 0.000 1.375 875 H HN 0.242 nan 8.280 nan 0.000 0.495 876 S N -0.157 115.682 115.700 0.232 0.000 2.399 876 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 876 S C 2.201 176.914 174.600 0.189 0.000 1.022 876 S CA 1.205 59.602 58.200 0.327 0.000 0.983 876 S CB -0.182 63.363 63.200 0.576 0.000 0.803 876 S HN 0.371 nan 8.310 nan 0.000 0.480 877 I N 0.817 121.222 120.570 -0.276 0.000 2.179 877 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 877 I C 2.463 178.465 176.117 -0.191 0.000 1.088 877 I CA 1.182 62.128 61.300 -0.590 0.000 1.357 877 I CB -0.241 37.255 38.000 -0.840 0.000 1.051 877 I HN 0.299 nan 8.210 nan 0.000 0.409 878 M N 0.763 120.248 119.600 -0.192 0.000 2.175 878 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 878 M C 2.034 178.214 176.300 -0.201 0.000 1.063 878 M CA 1.772 56.980 55.300 -0.153 0.000 1.119 878 M CB -0.461 31.977 32.600 -0.270 0.000 1.377 878 M HN 0.115 nan 8.290 nan 0.000 0.415 879 E N -0.595 119.472 120.200 -0.222 0.000 2.058 879 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 879 E C 2.231 178.742 176.600 -0.148 0.000 0.997 879 E CA 1.507 57.779 56.400 -0.213 0.000 0.801 879 E CB -0.361 29.347 29.700 0.014 0.000 0.746 879 E HN 0.535 nan 8.360 nan 0.000 0.450 880 R N 0.665 121.277 120.500 0.188 0.000 2.096 880 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 880 R C 2.294 178.758 176.300 0.274 0.000 1.127 880 R CA 1.221 57.566 56.100 0.409 0.000 0.968 880 R CB -0.188 30.380 30.300 0.446 0.000 0.861 880 R HN 0.133 nan 8.270 nan 0.000 0.440 881 A N 1.229 124.082 122.820 0.054 0.000 1.865 881 A HA -0.180 4.139 4.320 -0.000 0.000 0.217 881 A C 2.189 179.736 177.584 -0.062 0.000 1.191 881 A CA 1.503 53.508 52.037 -0.052 0.000 0.623 881 A CB -0.708 18.228 19.000 -0.106 0.000 0.826 881 A HN 0.358 nan 8.150 nan 0.000 0.444 882 L N -1.939 119.187 121.223 -0.162 0.000 2.083 882 L HA -0.166 4.173 4.340 -0.000 0.000 0.209 882 L C 2.425 179.360 176.870 0.109 0.000 1.083 882 L CA 1.278 56.048 54.840 -0.118 0.000 0.752 882 L CB -0.607 41.345 42.059 -0.178 0.000 0.899 882 L HN 0.437 nan 8.230 nan 0.000 0.433 883 F N -1.169 118.823 119.950 0.070 0.000 2.494 883 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 883 F C 2.048 177.872 175.800 0.040 0.000 1.106 883 F CA 0.591 58.516 58.000 -0.126 0.000 1.452 883 F CB -0.064 38.723 39.000 -0.354 0.000 1.085 883 F HN 0.234 nan 8.300 nan 0.000 0.569 884 H N -0.408 118.863 119.070 0.336 0.000 2.784 884 H HA 0.158 4.713 4.556 -0.001 0.000 0.273 884 H C 1.892 177.298 175.328 0.130 0.000 1.112 884 H CA 0.232 56.411 56.048 0.217 0.000 1.162 884 H CB 0.067 29.860 29.762 0.052 0.000 1.586 884 H HN 0.405 nan 8.280 nan 0.000 0.548 885 M N 0.364 120.089 119.600 0.208 0.000 2.632 885 M HA -0.045 4.435 4.480 -0.000 0.000 0.256 885 M C 0.944 177.306 176.300 0.104 0.000 1.080 885 M CA 1.341 56.739 55.300 0.163 0.000 1.084 885 M CB -0.087 32.641 32.600 0.213 0.000 1.439 885 M HN -0.079 nan 8.290 nan 0.000 0.509 886 D N -0.682 119.725 120.400 0.011 0.000 2.333 886 D HA -0.037 4.602 4.640 -0.000 0.000 0.208 886 D C 0.901 177.245 176.300 0.073 0.000 0.984 886 D CA 0.320 54.351 54.000 0.052 0.000 0.873 886 D CB -0.496 40.339 40.800 0.058 0.000 0.935 886 D HN 0.488 nan 8.370 nan 0.000 0.521 887 N N 0.344 119.066 118.700 0.037 0.000 1.154 887 N HA -0.313 4.427 4.740 -0.000 0.000 0.135 887 N C -0.020 175.425 175.510 -0.109 0.000 0.562 887 N CA 2.723 55.726 53.050 -0.079 0.000 0.947 887 N CB -1.268 37.091 38.487 -0.213 0.000 1.354 887 N HN 0.360 nan 8.380 nan 0.000 0.505 888 C N -0.229 118.736 119.300 -0.558 0.000 2.760 888 C HA 0.428 4.888 4.460 -0.000 0.000 0.293 888 C C -0.657 173.964 174.990 -0.616 0.000 1.383 888 C CA -0.548 58.281 59.018 -0.314 0.000 1.771 888 C CB -1.932 25.654 27.740 -0.256 0.000 2.353 888 C HN 0.346 nan 8.230 nan 0.000 0.578 889 Y N 0.588 120.658 120.300 -0.382 0.000 2.352 889 Y HA 0.466 5.015 4.550 -0.000 0.000 0.339 889 Y C 0.265 175.553 175.900 -1.020 0.000 0.992 889 Y CA -1.022 56.721 58.100 -0.595 0.000 1.100 889 Y CB 0.864 39.171 38.460 -0.255 0.000 1.192 889 Y HN -0.184 nan 8.280 nan 0.000 0.458 890 K N 3.971 123.860 120.400 -0.851 0.000 2.316 890 K HA 0.444 4.764 4.320 -0.000 0.000 0.289 890 K C -1.526 174.911 176.600 -0.272 0.000 1.070 890 K CA 0.182 56.069 56.287 -0.667 0.000 0.928 890 K CB -0.204 32.042 32.500 -0.423 0.000 1.039 890 K HN 0.669 nan 8.250 nan 0.000 0.480 891 I N 8.541 129.009 120.570 -0.170 0.000 2.448 891 I HA 0.261 4.430 4.170 -0.000 0.000 0.281 891 I C -1.492 174.578 176.117 -0.078 0.000 1.027 891 I CA -1.869 59.365 61.300 -0.111 0.000 1.111 891 I CB 2.062 40.006 38.000 -0.093 0.000 1.236 891 I HN 0.595 nan 8.210 nan 0.000 0.452 892 P HA -0.073 nan 4.420 nan 0.000 0.218 892 P C -0.291 176.972 177.300 -0.062 0.000 1.149 892 P CA 1.242 64.302 63.100 -0.066 0.000 0.817 892 P CB 0.243 31.896 31.700 -0.078 0.000 0.785 893 N N 0.372 119.011 118.700 -0.102 0.000 2.491 893 N HA 0.442 5.182 4.740 -0.000 0.000 0.274 893 N C -0.850 174.589 175.510 -0.118 0.000 1.023 893 N CA -0.326 52.660 53.050 -0.106 0.000 0.902 893 N CB 2.369 40.761 38.487 -0.159 0.000 1.267 893 N HN 0.096 nan 8.380 nan 0.000 0.503 894 I N 0.757 121.304 120.570 -0.039 0.000 2.692 894 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 894 I C -1.457 174.693 176.117 0.056 0.000 1.200 894 I CA -0.676 60.616 61.300 -0.013 0.000 1.036 894 I CB 2.400 40.403 38.000 0.004 0.000 1.258 894 I HN 0.344 nan 8.210 nan 0.000 0.421 895 R N 5.432 125.972 120.500 0.066 0.000 2.510 895 R HA 0.652 4.992 4.340 -0.000 0.000 0.294 895 R C -1.460 174.911 176.300 0.120 0.000 1.056 895 R CA -0.560 55.602 56.100 0.102 0.000 0.918 895 R CB 1.903 32.259 30.300 0.093 0.000 1.187 895 R HN 0.809 nan 8.270 nan 0.000 0.437 896 G N 1.919 110.815 108.800 0.160 0.000 2.513 896 G HA2 0.487 4.447 3.960 -0.000 0.000 0.317 896 G HA3 0.487 4.447 3.960 -0.000 0.000 0.317 896 G C -0.621 174.375 174.900 0.159 0.000 1.277 896 G CA -0.432 44.792 45.100 0.206 0.000 0.955 896 G HN 0.572 nan 8.290 nan 0.000 0.484 897 T N -1.030 113.610 114.554 0.143 0.000 2.924 897 T HA 0.849 5.199 4.350 -0.000 0.000 0.291 897 T C -0.004 174.696 174.700 -0.000 0.000 1.045 897 T CA -0.628 61.487 62.100 0.026 0.000 1.015 897 T CB 2.368 71.203 68.868 -0.055 0.000 1.103 897 T HN 1.189 nan 8.240 nan 0.000 0.496 898 G N 1.161 109.870 108.800 -0.153 0.000 2.701 898 G HA2 0.633 4.593 3.960 -0.000 0.000 0.300 898 G HA3 0.633 4.593 3.960 -0.000 0.000 0.300 898 G C -1.310 173.387 174.900 -0.337 0.000 1.410 898 G CA -0.948 44.008 45.100 -0.240 0.000 1.014 898 G HN 0.627 nan 8.290 nan 0.000 0.509 899 R N 1.025 121.275 120.500 -0.416 0.000 2.670 899 R HA 0.495 4.835 4.340 -0.000 0.000 0.289 899 R C -0.629 175.585 176.300 -0.142 0.000 0.965 899 R CA -1.043 54.839 56.100 -0.363 0.000 0.899 899 R CB 1.912 31.848 30.300 -0.607 0.000 1.173 899 R HN 0.464 nan 8.270 nan 0.000 0.456 900 L N 1.959 123.177 121.223 -0.008 0.000 2.257 900 L HA 0.435 4.775 4.340 -0.000 0.000 0.290 900 L C -0.165 176.884 176.870 0.298 0.000 1.044 900 L CA -0.822 54.103 54.840 0.143 0.000 0.810 900 L CB 1.216 43.403 42.059 0.213 0.000 1.193 900 L HN 0.398 nan 8.230 nan 0.000 0.425 901 C N 3.270 122.727 119.300 0.261 0.000 2.482 901 C HA 0.131 4.591 4.460 -0.000 0.000 0.378 901 C C 0.892 175.871 174.990 -0.019 0.000 1.284 901 C CA -0.678 58.450 59.018 0.184 0.000 1.826 901 C CB -0.037 27.793 27.740 0.148 0.000 2.473 901 C HN 0.680 nan 8.230 nan 0.000 0.562 902 K N 3.666 123.872 120.400 -0.324 0.000 2.310 902 K HA 0.370 4.690 4.320 -0.000 0.000 0.290 902 K C 0.251 176.674 176.600 -0.295 0.000 1.077 902 K CA 0.241 56.175 56.287 -0.588 0.000 0.922 902 K CB 0.336 32.193 32.500 -1.071 0.000 1.057 902 K HN 0.902 nan 8.250 nan 0.000 0.479 903 T N 0.259 114.723 114.554 -0.151 0.000 2.901 903 T HA 0.305 4.655 4.350 -0.000 0.000 0.293 903 T C -0.098 174.526 174.700 -0.127 0.000 1.084 903 T CA -1.114 60.902 62.100 -0.141 0.000 1.008 903 T CB 1.103 69.903 68.868 -0.113 0.000 1.170 903 T HN 0.427 nan 8.240 nan 0.000 0.509 904 N N 1.531 120.143 118.700 -0.146 0.000 3.259 904 N HA 0.339 5.078 4.740 -0.000 0.000 0.308 904 N C -0.883 174.565 175.510 -0.103 0.000 1.334 904 N CA 0.017 52.985 53.050 -0.136 0.000 1.202 904 N CB -0.438 37.971 38.487 -0.130 0.000 1.485 904 N HN 0.502 nan 8.380 nan 0.000 0.549 905 L N -0.363 120.803 121.223 -0.095 0.000 2.376 905 L HA 0.334 4.674 4.340 -0.000 0.000 0.258 905 L C 0.414 177.261 176.870 -0.038 0.000 1.013 905 L CA -0.837 53.955 54.840 -0.079 0.000 0.822 905 L CB 1.901 43.874 42.059 -0.144 0.000 1.388 905 L HN -0.033 nan 8.230 nan 0.000 0.413 906 S N 0.657 116.362 115.700 0.008 0.000 2.558 906 S HA -0.043 4.427 4.470 -0.000 0.000 0.291 906 S C 0.217 174.827 174.600 0.018 0.000 1.306 906 S CA -0.006 58.211 58.200 0.028 0.000 1.056 906 S CB 0.621 63.866 63.200 0.075 0.000 0.836 906 S HN 0.553 nan 8.310 nan 0.000 0.504 907 S N 3.348 119.063 115.700 0.025 0.000 2.515 907 S HA 0.074 4.543 4.470 -0.000 0.000 0.285 907 S C 0.267 174.884 174.600 0.029 0.000 1.265 907 S CA -0.658 57.561 58.200 0.032 0.000 1.079 907 S CB -0.244 62.987 63.200 0.051 0.000 0.877 907 S HN 0.612 nan 8.310 nan 0.000 0.493 908 N N 2.845 121.501 118.700 -0.074 0.000 2.467 908 N HA 0.390 5.130 4.740 -0.000 0.000 0.262 908 N C 0.213 175.744 175.510 0.035 0.000 1.234 908 N CA -0.065 52.872 53.050 -0.189 0.000 0.952 908 N CB 1.485 39.559 38.487 -0.689 0.000 1.158 908 N HN 0.672 nan 8.380 nan 0.000 0.463 909 T N -1.331 113.362 114.554 0.232 0.000 2.618 909 T HA 0.618 4.968 4.350 -0.000 0.000 0.293 909 T C -1.267 173.718 174.700 0.476 0.000 1.093 909 T CA -0.545 61.792 62.100 0.395 0.000 1.061 909 T CB 0.498 69.568 68.868 0.337 0.000 1.498 909 T HN 0.480 nan 8.240 nan 0.000 0.494 910 A N 1.187 124.300 122.820 0.488 0.000 2.511 910 A HA 0.586 4.905 4.320 -0.000 0.000 0.242 910 A C -0.735 177.256 177.584 0.679 0.000 1.069 910 A CA 0.084 52.484 52.037 0.605 0.000 0.763 910 A CB -0.671 18.751 19.000 0.703 0.000 1.001 910 A HN 0.711 nan 8.150 nan 0.000 0.498 911 F N 2.136 122.362 119.950 0.461 0.000 2.588 911 F HA 0.430 4.957 4.527 -0.000 0.000 0.318 911 F C 0.508 176.490 175.800 0.303 0.000 1.155 911 F CA -1.129 57.109 58.000 0.396 0.000 0.967 911 F CB 1.198 40.289 39.000 0.151 0.000 1.236 911 F HN 0.784 nan 8.300 nan 0.000 0.455 912 R N 4.155 125.121 120.500 0.777 0.000 4.326 912 R HA -0.049 4.291 4.340 -0.000 0.000 0.141 912 R C 0.897 177.375 176.300 0.296 0.000 0.356 912 R CA 1.994 58.382 56.100 0.480 0.000 0.851 912 R CB -0.719 29.881 30.300 0.500 0.000 1.039 912 R HN 1.157 nan 8.270 nan 0.000 0.246 913 G N 3.476 112.425 108.800 0.248 0.000 2.436 913 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.204 913 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.204 913 G C 0.263 175.440 174.900 0.462 0.000 1.026 913 G CA -0.105 45.134 45.100 0.233 0.000 0.658 913 G HN 0.822 nan 8.290 nan 0.000 0.499 914 F N 0.731 120.807 119.950 0.210 0.000 2.983 914 F HA 0.072 4.599 4.527 -0.000 0.000 0.288 914 F C 1.745 177.607 175.800 0.103 0.000 0.980 914 F CA 2.513 60.631 58.000 0.195 0.000 0.965 914 F CB -0.994 38.136 39.000 0.218 0.000 0.967 914 F HN 2.076 nan 8.300 nan 0.000 0.800 915 G N -0.393 108.394 108.800 -0.021 0.000 2.268 915 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.240 915 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.240 915 G C 1.558 176.346 174.900 -0.186 0.000 1.010 915 G CA 0.790 45.785 45.100 -0.176 0.000 0.618 915 G HN 1.565 nan 8.290 nan 0.000 0.516 916 G N 1.735 110.508 108.800 -0.045 0.000 2.480 916 G HA2 0.056 4.015 3.960 -0.000 0.000 0.216 916 G HA3 0.056 4.015 3.960 -0.000 0.000 0.216 916 G C 0.109 174.945 174.900 -0.107 0.000 1.200 916 G CA 1.993 47.013 45.100 -0.132 0.000 0.782 916 G HN 0.539 nan 8.290 nan 0.000 0.554 917 P HA -0.093 nan 4.420 nan 0.000 0.216 917 P C 1.787 179.121 177.300 0.057 0.000 1.150 917 P CA 1.388 64.549 63.100 0.101 0.000 0.837 917 P CB -0.021 31.753 31.700 0.123 0.000 0.786 918 Q N -0.446 119.252 119.800 -0.171 0.000 2.050 918 Q HA -0.117 4.222 4.340 -0.000 0.000 0.202 918 Q C 2.318 178.238 176.000 -0.134 0.000 0.980 918 Q CA 2.077 57.719 55.803 -0.267 0.000 0.840 918 Q CB -1.333 26.839 28.738 -0.942 0.000 0.898 918 Q HN 0.167 nan 8.270 nan 0.000 0.424 919 A N 0.338 123.027 122.820 -0.219 0.000 1.902 919 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 919 A C 2.081 179.641 177.584 -0.040 0.000 1.181 919 A CA 1.162 53.191 52.037 -0.015 0.000 0.623 919 A CB -0.708 18.282 19.000 -0.017 0.000 0.818 919 A HN 0.323 nan 8.150 nan 0.000 0.443 920 L N -2.087 118.994 121.223 -0.237 0.000 2.046 920 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 920 L C 2.450 179.070 176.870 -0.418 0.000 1.077 920 L CA 1.529 56.011 54.840 -0.597 0.000 0.747 920 L CB -0.559 40.634 42.059 -1.444 0.000 0.896 920 L HN 0.498 nan 8.230 nan 0.000 0.432 921 F N 0.872 120.713 119.950 -0.182 0.000 2.134 921 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 921 F C 2.228 178.032 175.800 0.007 0.000 1.097 921 F CA 1.475 59.563 58.000 0.146 0.000 1.264 921 F CB -0.187 38.917 39.000 0.173 0.000 1.001 921 F HN -0.110 nan 8.300 nan 0.000 0.479 922 I N 0.283 120.811 120.570 -0.069 0.000 2.226 922 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 922 I C 2.708 178.583 176.117 -0.403 0.000 1.100 922 I CA 1.290 62.483 61.300 -0.178 0.000 1.374 922 I CB -0.968 37.079 38.000 0.079 0.000 1.057 922 I HN 0.246 nan 8.210 nan 0.000 0.413 923 A N 0.304 122.893 122.820 -0.384 0.000 1.877 923 A HA -0.201 4.118 4.320 -0.000 0.000 0.216 923 A C 2.242 179.063 177.584 -1.273 0.000 1.186 923 A CA 1.581 53.108 52.037 -0.850 0.000 0.620 923 A CB -0.467 18.335 19.000 -0.330 0.000 0.822 923 A HN 0.334 nan 8.150 nan 0.000 0.443 924 E N -0.185 119.605 120.200 -0.683 0.000 2.204 924 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 924 E C 1.772 177.873 176.600 -0.832 0.000 0.989 924 E CA 1.229 57.188 56.400 -0.734 0.000 0.824 924 E CB -0.492 28.875 29.700 -0.556 0.000 0.756 924 E HN 0.748 nan 8.360 nan 0.000 0.477 925 N N 1.164 119.512 118.700 -0.587 0.000 2.058 925 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 925 N C 1.957 177.268 175.510 -0.332 0.000 1.037 925 N CA 2.009 54.862 53.050 -0.328 0.000 0.848 925 N CB -0.367 37.857 38.487 -0.439 0.000 1.021 925 N HN 0.376 nan 8.380 nan 0.000 0.422 926 W N -0.497 120.555 121.300 -0.415 0.000 2.402 926 W HA -0.076 4.584 4.660 -0.001 0.000 0.286 926 W C 1.691 178.043 176.519 -0.277 0.000 1.221 926 W CA 0.252 57.393 57.345 -0.341 0.000 1.257 926 W CB -0.792 28.428 29.460 -0.400 0.000 1.120 926 W HN 0.164 nan 8.180 nan 0.000 0.551 927 M N 3.359 122.600 119.600 -0.598 0.000 2.117 927 M HA -0.190 4.289 4.480 -0.000 0.000 0.262 927 M C 2.627 178.725 176.300 -0.337 0.000 1.065 927 M CA 2.848 57.835 55.300 -0.521 0.000 1.114 927 M CB -0.838 31.205 32.600 -0.928 0.000 1.361 927 M HN 0.090 nan 8.290 nan 0.000 0.408 928 S N -0.712 114.779 115.700 -0.349 0.000 2.382 928 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 928 S C 1.770 176.307 174.600 -0.104 0.000 1.027 928 S CA 1.659 59.737 58.200 -0.203 0.000 0.991 928 S CB -0.811 62.314 63.200 -0.125 0.000 0.823 928 S HN 0.713 nan 8.310 nan 0.000 0.469 929 E N 0.581 120.738 120.200 -0.072 0.000 2.158 929 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 929 E C 2.106 178.653 176.600 -0.089 0.000 0.982 929 E CA 0.814 57.205 56.400 -0.016 0.000 0.823 929 E CB -0.210 29.544 29.700 0.089 0.000 0.766 929 E HN 0.387 nan 8.360 nan 0.000 0.468 930 V N 1.551 121.332 119.914 -0.222 0.000 2.261 930 V HA -0.302 3.817 4.120 -0.000 0.000 0.246 930 V C 2.368 178.251 176.094 -0.351 0.000 1.047 930 V CA 1.983 63.929 62.300 -0.589 0.000 1.015 930 V CB -0.750 30.675 31.823 -0.663 0.000 0.642 930 V HN 0.333 nan 8.190 nan 0.000 0.446 931 A N -0.292 122.406 122.820 -0.204 0.000 1.892 931 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 931 A C 2.400 179.964 177.584 -0.034 0.000 1.188 931 A CA 2.367 54.345 52.037 -0.098 0.000 0.631 931 A CB -0.831 18.128 19.000 -0.068 0.000 0.822 931 A HN 0.336 nan 8.150 nan 0.000 0.447 932 V N -0.371 119.530 119.914 -0.021 0.000 2.343 932 V HA -0.232 3.887 4.120 -0.000 0.000 0.247 932 V C 2.758 178.884 176.094 0.052 0.000 1.051 932 V CA 2.486 64.803 62.300 0.029 0.000 1.036 932 V CB -1.250 30.598 31.823 0.041 0.000 0.654 932 V HN 0.630 nan 8.190 nan 0.000 0.451 933 T N -1.098 113.487 114.554 0.052 0.000 2.720 933 T HA -0.236 4.113 4.350 -0.000 0.000 0.268 933 T C 1.785 176.575 174.700 0.150 0.000 1.037 933 T CA 2.024 64.205 62.100 0.135 0.000 1.144 933 T CB -0.473 68.548 68.868 0.256 0.000 0.864 933 T HN 0.553 nan 8.240 nan 0.000 0.444 934 C N 0.816 120.186 119.300 0.116 0.000 2.500 934 C HA 0.408 4.868 4.460 -0.000 0.000 0.273 934 C C 2.110 177.150 174.990 0.082 0.000 1.428 934 C CA -0.291 58.801 59.018 0.123 0.000 1.766 934 C CB -1.451 26.349 27.740 0.099 0.000 1.817 934 C HN 0.835 nan 8.230 nan 0.000 0.543 935 G N 0.853 109.693 108.800 0.067 0.000 2.221 935 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.265 935 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.265 935 G C -0.222 174.711 174.900 0.055 0.000 1.041 935 G CA 0.128 45.264 45.100 0.059 0.000 0.807 935 G HN 0.544 nan 8.290 nan 0.000 0.502 936 L N -0.518 120.736 121.223 0.051 0.000 2.322 936 L HA 0.552 4.891 4.340 -0.000 0.000 0.269 936 L C -1.961 174.948 176.870 0.066 0.000 1.012 936 L CA -2.695 52.179 54.840 0.057 0.000 0.815 936 L CB 1.794 43.884 42.059 0.052 0.000 1.295 936 L HN -0.161 nan 8.230 nan 0.000 0.438 937 P HA 0.014 nan 4.420 nan 0.000 0.263 937 P C 0.098 177.471 177.300 0.121 0.000 1.195 937 P CA 0.060 63.234 63.100 0.124 0.000 0.762 937 P CB 0.970 32.769 31.700 0.166 0.000 0.799 938 A N 4.585 127.473 122.820 0.113 0.000 1.917 938 A HA -0.256 4.063 4.320 -0.000 0.000 0.219 938 A C 1.756 179.422 177.584 0.138 0.000 1.182 938 A CA 1.853 53.939 52.037 0.081 0.000 0.633 938 A CB -0.907 18.131 19.000 0.064 0.000 0.819 938 A HN 0.572 nan 8.150 nan 0.000 0.448 939 E N 0.199 120.529 120.200 0.217 0.000 2.153 939 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 939 E C 1.775 178.604 176.600 0.383 0.000 0.988 939 E CA 1.273 57.883 56.400 0.351 0.000 0.811 939 E CB -0.411 29.401 29.700 0.188 0.000 0.746 939 E HN 0.846 nan 8.360 nan 0.000 0.466 940 E N 0.847 121.209 120.200 0.270 0.000 2.072 940 E HA -0.143 4.206 4.350 -0.000 0.000 0.191 940 E C 1.871 178.579 176.600 0.180 0.000 0.985 940 E CA 1.183 57.730 56.400 0.245 0.000 0.801 940 E CB 0.148 29.956 29.700 0.180 0.000 0.750 940 E HN 0.172 nan 8.360 nan 0.000 0.452 941 V N 1.212 121.179 119.914 0.089 0.000 2.358 941 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 941 V C 2.445 178.481 176.094 -0.095 0.000 1.047 941 V CA 1.848 64.138 62.300 -0.016 0.000 1.035 941 V CB -0.509 31.271 31.823 -0.071 0.000 0.658 941 V HN 0.241 nan 8.190 nan 0.000 0.452 942 R N -0.973 119.484 120.500 -0.072 0.000 2.073 942 R HA -0.197 4.142 4.340 -0.000 0.000 0.234 942 R C 2.273 178.510 176.300 -0.106 0.000 1.134 942 R CA 1.990 58.001 56.100 -0.149 0.000 0.952 942 R CB -0.485 29.812 30.300 -0.006 0.000 0.850 942 R HN 0.690 nan 8.270 nan 0.000 0.433 943 W N 2.442 123.589 121.300 -0.256 0.000 2.335 943 W HA -0.230 4.430 4.660 -0.001 0.000 0.311 943 W C 1.380 177.809 176.519 -0.151 0.000 1.213 943 W CA 1.464 58.627 57.345 -0.303 0.000 1.274 943 W CB -0.137 29.242 29.460 -0.135 0.000 1.148 943 W HN 0.040 nan 8.180 nan 0.000 0.498 944 K N -0.122 120.239 120.400 -0.066 0.000 2.113 944 K HA -0.209 4.110 4.320 -0.000 0.000 0.208 944 K C 1.444 177.909 176.600 -0.224 0.000 1.047 944 K CA 1.690 57.898 56.287 -0.132 0.000 0.928 944 K CB -0.318 32.171 32.500 -0.019 0.000 0.716 944 K HN 0.118 nan 8.250 nan 0.000 0.446 945 N N 0.071 118.646 118.700 -0.208 0.000 2.280 945 N HA 0.032 4.772 4.740 -0.000 0.000 0.192 945 N C 0.154 175.572 175.510 -0.153 0.000 1.109 945 N CA 0.040 52.983 53.050 -0.179 0.000 0.855 945 N CB 0.319 38.681 38.487 -0.210 0.000 0.974 945 N HN 0.198 nan 8.380 nan 0.000 0.482 946 M N 0.868 120.320 119.600 -0.246 0.000 2.245 946 M HA 0.026 4.506 4.480 -0.000 0.000 0.344 946 M C -0.259 175.850 176.300 -0.318 0.000 1.170 946 M CA -0.125 55.014 55.300 -0.269 0.000 1.135 946 M CB 0.539 32.862 32.600 -0.462 0.000 1.574 946 M HN 0.031 nan 8.290 nan 0.000 0.452 947 Y N 3.558 123.669 120.300 -0.315 0.000 2.546 947 Y HA -0.002 4.548 4.550 -0.000 0.000 0.351 947 Y C 0.299 175.888 175.900 -0.518 0.000 1.266 947 Y CA 0.418 58.200 58.100 -0.531 0.000 1.487 947 Y CB 0.507 38.369 38.460 -0.997 0.000 1.365 947 Y HN 0.507 nan 8.280 nan 0.000 0.642 948 K N 0.730 120.967 120.400 -0.272 0.000 2.281 948 K HA 0.222 4.541 4.320 -0.000 0.000 0.242 948 K C -0.949 175.505 176.600 -0.243 0.000 0.971 948 K CA -1.286 54.886 56.287 -0.192 0.000 0.834 948 K CB 1.552 33.972 32.500 -0.133 0.000 1.181 948 K HN 0.474 nan 8.250 nan 0.000 0.435 949 E N 0.315 120.477 120.200 -0.064 0.000 2.652 949 E HA -0.050 4.300 4.350 -0.000 0.000 0.255 949 E C 0.747 177.284 176.600 -0.105 0.000 0.952 949 E CA 1.983 58.357 56.400 -0.044 0.000 0.947 949 E CB -0.144 29.571 29.700 0.026 0.000 0.912 949 E HN 0.704 nan 8.360 nan 0.000 0.489 950 G N 3.738 112.459 108.800 -0.132 0.000 2.199 950 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 950 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 950 G C -0.020 174.777 174.900 -0.171 0.000 0.982 950 G CA 0.074 45.101 45.100 -0.122 0.000 0.632 950 G HN 0.651 nan 8.290 nan 0.000 0.529 951 D N 0.450 120.702 120.400 -0.247 0.000 2.400 951 D HA 0.436 5.075 4.640 -0.000 0.000 0.238 951 D C 1.169 177.272 176.300 -0.328 0.000 1.157 951 D CA 0.177 54.031 54.000 -0.243 0.000 0.889 951 D CB 0.566 41.243 40.800 -0.205 0.000 1.199 951 D HN 0.347 nan 8.370 nan 0.000 0.436 952 L N 1.307 122.386 121.223 -0.240 0.000 2.325 952 L HA 0.288 4.627 4.340 -0.000 0.000 0.279 952 L C 1.301 177.978 176.870 -0.323 0.000 1.054 952 L CA -0.779 53.889 54.840 -0.286 0.000 0.804 952 L CB 1.289 43.242 42.059 -0.176 0.000 1.200 952 L HN 0.430 nan 8.230 nan 0.000 0.436 953 T N -2.804 111.423 114.554 -0.544 0.000 2.698 953 T HA 0.018 4.368 4.350 -0.000 0.000 0.295 953 T C 1.424 175.985 174.700 -0.232 0.000 1.007 953 T CA -0.249 61.566 62.100 -0.475 0.000 0.980 953 T CB 0.424 68.649 68.868 -1.072 0.000 1.036 953 T HN 0.744 nan 8.240 nan 0.000 0.526 954 H N 0.228 119.244 119.070 -0.090 0.000 2.518 954 H HA -0.050 4.506 4.556 -0.000 0.000 0.289 954 H C 1.172 176.567 175.328 0.111 0.000 1.051 954 H CA 1.194 57.274 56.048 0.053 0.000 1.280 954 H CB -0.845 29.013 29.762 0.160 0.000 1.380 954 H HN 0.786 nan 8.280 nan 0.000 0.566 955 F N -0.010 119.730 119.950 -0.350 0.000 2.639 955 F HA 0.420 4.946 4.527 -0.000 0.000 0.300 955 F C 0.066 175.844 175.800 -0.036 0.000 1.109 955 F CA -0.908 56.978 58.000 -0.189 0.000 1.335 955 F CB -0.070 38.679 39.000 -0.418 0.000 1.014 955 F HN -0.145 nan 8.300 nan 0.000 0.537 956 N N 1.293 119.838 118.700 -0.258 0.000 2.776 956 N HA -0.254 4.486 4.740 -0.000 0.000 0.250 956 N C -0.212 175.183 175.510 -0.191 0.000 1.112 956 N CA 1.005 53.960 53.050 -0.158 0.000 0.733 956 N CB -1.159 37.320 38.487 -0.012 0.000 1.097 956 N HN 0.775 nan 8.380 nan 0.000 0.558 957 Q N 0.587 120.139 119.800 -0.414 0.000 2.257 957 Q HA 0.386 4.725 4.340 -0.000 0.000 0.255 957 Q C 0.101 175.949 176.000 -0.253 0.000 0.920 957 Q CA -0.709 54.953 55.803 -0.235 0.000 0.927 957 Q CB 1.031 29.723 28.738 -0.077 0.000 1.229 957 Q HN 0.212 nan 8.270 nan 0.000 0.433 958 R N 3.267 123.692 120.500 -0.126 0.000 2.537 958 R HA 0.166 4.505 4.340 -0.000 0.000 0.280 958 R C -1.002 175.230 176.300 -0.114 0.000 1.058 958 R CA 0.119 56.137 56.100 -0.137 0.000 1.057 958 R CB 0.299 30.557 30.300 -0.069 0.000 0.973 958 R HN 0.627 nan 8.270 nan 0.000 0.438 959 L N 4.926 126.005 121.223 -0.241 0.000 2.302 959 L HA 0.285 4.625 4.340 -0.000 0.000 0.285 959 L C -0.104 176.748 176.870 -0.031 0.000 1.090 959 L CA 0.023 54.745 54.840 -0.197 0.000 0.866 959 L CB 0.806 42.525 42.059 -0.567 0.000 1.244 959 L HN 0.613 nan 8.230 nan 0.000 0.435 960 E N 2.177 122.437 120.200 0.099 0.000 2.175 960 E HA 0.428 4.778 4.350 -0.000 0.000 0.278 960 E C 0.606 177.308 176.600 0.170 0.000 0.969 960 E CA -0.394 56.065 56.400 0.098 0.000 0.796 960 E CB 1.684 31.426 29.700 0.069 0.000 1.104 960 E HN 0.694 nan 8.360 nan 0.000 0.395 961 G N 3.283 112.157 108.800 0.123 0.000 2.314 961 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.292 961 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.292 961 G C -0.394 174.589 174.900 0.138 0.000 1.059 961 G CA -0.121 45.054 45.100 0.124 0.000 0.982 961 G HN 0.475 nan 8.290 nan 0.000 0.505 962 F N 2.218 122.090 119.950 -0.130 0.000 2.468 962 F HA 0.476 5.003 4.527 -0.001 0.000 0.356 962 F C 1.391 176.915 175.800 -0.460 0.000 1.167 962 F CA -0.318 57.417 58.000 -0.441 0.000 1.135 962 F CB 0.741 39.536 39.000 -0.341 0.000 1.197 962 F HN 0.289 nan 8.300 nan 0.000 0.569 963 S N 2.902 117.967 115.700 -1.059 0.000 2.557 963 S HA 0.040 4.509 4.470 -0.000 0.000 0.223 963 S C 1.507 175.756 174.600 -0.585 0.000 0.969 963 S CA 0.247 58.115 58.200 -0.555 0.000 0.927 963 S CB -0.337 62.745 63.200 -0.196 0.000 0.806 963 S HN 0.407 nan 8.310 nan 0.000 0.489 964 V N 2.920 122.167 119.914 -1.111 0.000 2.332 964 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 964 V C -0.436 175.557 176.094 -0.168 0.000 1.055 964 V CA 1.917 63.858 62.300 -0.599 0.000 1.038 964 V CB -1.742 29.640 31.823 -0.736 0.000 0.651 964 V HN 0.391 nan 8.190 nan 0.000 0.450 965 P HA -0.150 nan 4.420 nan 0.000 0.215 965 P C 1.769 179.209 177.300 0.233 0.000 1.153 965 P CA 1.481 64.731 63.100 0.249 0.000 0.853 965 P CB -0.105 31.734 31.700 0.232 0.000 0.788 966 R N -1.146 119.401 120.500 0.077 0.000 2.066 966 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 966 R C 2.320 178.664 176.300 0.073 0.000 1.131 966 R CA 1.603 57.741 56.100 0.064 0.000 0.955 966 R CB -1.228 29.081 30.300 0.014 0.000 0.851 966 R HN 0.234 nan 8.270 nan 0.000 0.432 967 C N -0.398 118.939 119.300 0.061 0.000 2.429 967 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 967 C C 2.391 177.458 174.990 0.129 0.000 1.262 967 C CA 0.133 59.199 59.018 0.079 0.000 1.733 967 C CB -1.063 26.724 27.740 0.077 0.000 2.010 967 C HN 0.662 nan 8.230 nan 0.000 0.483 968 W N 1.804 123.097 121.300 -0.011 0.000 2.353 968 W HA -0.146 4.514 4.660 -0.001 0.000 0.319 968 W C 2.174 178.651 176.519 -0.069 0.000 1.207 968 W CA 2.180 59.519 57.345 -0.011 0.000 1.291 968 W CB -0.813 28.711 29.460 0.107 0.000 1.159 968 W HN 0.392 nan 8.180 nan 0.000 0.478 969 D N 0.082 120.574 120.400 0.152 0.000 2.104 969 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 969 D C 1.991 178.256 176.300 -0.059 0.000 0.994 969 D CA 2.235 56.233 54.000 -0.003 0.000 0.830 969 D CB -0.311 40.511 40.800 0.037 0.000 0.959 969 D HN 0.250 nan 8.370 nan 0.000 0.452 970 E N -0.580 119.605 120.200 -0.025 0.000 2.106 970 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 970 E C 2.262 178.815 176.600 -0.078 0.000 0.984 970 E CA 0.682 57.059 56.400 -0.038 0.000 0.806 970 E CB -0.222 29.471 29.700 -0.013 0.000 0.750 970 E HN 0.368 nan 8.360 nan 0.000 0.458 971 C N 0.798 120.029 119.300 -0.115 0.000 2.446 971 C HA -0.065 4.394 4.460 -0.000 0.000 0.277 971 C C 2.578 177.426 174.990 -0.238 0.000 1.275 971 C CA 0.415 59.334 59.018 -0.165 0.000 1.727 971 C CB -0.993 26.634 27.740 -0.188 0.000 2.010 971 C HN 0.375 nan 8.230 nan 0.000 0.486 972 L N 0.609 121.616 121.223 -0.361 0.000 2.013 972 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 972 L C 2.757 179.528 176.870 -0.164 0.000 1.073 972 L CA 1.982 56.591 54.840 -0.385 0.000 0.753 972 L CB -0.585 41.191 42.059 -0.471 0.000 0.890 972 L HN 0.394 nan 8.230 nan 0.000 0.432 973 K N -0.404 119.933 120.400 -0.104 0.000 2.031 973 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 973 K C 2.315 178.893 176.600 -0.037 0.000 1.049 973 K CA 1.655 57.919 56.287 -0.038 0.000 0.939 973 K CB -0.178 32.307 32.500 -0.025 0.000 0.717 973 K HN 0.357 nan 8.250 nan 0.000 0.438 974 S N 0.599 116.267 115.700 -0.052 0.000 2.436 974 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 974 S C 1.999 176.574 174.600 -0.042 0.000 1.014 974 S CA 1.193 59.368 58.200 -0.042 0.000 0.950 974 S CB -0.182 62.992 63.200 -0.043 0.000 0.784 974 S HN 0.263 nan 8.310 nan 0.000 0.504 975 S N 0.821 116.487 115.700 -0.057 0.000 2.562 975 S HA 0.090 4.560 4.470 -0.000 0.000 0.221 975 S C 0.607 175.187 174.600 -0.034 0.000 0.975 975 S CA 0.136 58.308 58.200 -0.046 0.000 0.918 975 S CB -0.831 62.335 63.200 -0.056 0.000 0.772 975 S HN 0.585 nan 8.310 nan 0.000 0.531 976 Q N -0.421 119.363 119.800 -0.027 0.000 2.451 976 Q HA -0.282 4.058 4.340 -0.000 0.000 0.305 976 Q C 0.194 176.176 176.000 -0.030 0.000 1.345 976 Q CA 0.722 56.518 55.803 -0.011 0.000 0.854 976 Q CB -2.377 26.354 28.738 -0.013 0.000 1.162 976 Q HN 0.815 nan 8.270 nan 0.000 0.440 977 Y N -0.381 119.790 120.300 -0.216 0.000 2.081 977 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 977 Y C 1.632 177.368 175.900 -0.272 0.000 1.163 977 Y CA 2.514 60.420 58.100 -0.324 0.000 1.135 977 Y CB -0.269 37.853 38.460 -0.562 0.000 0.970 977 Y HN 0.409 nan 8.280 nan 0.000 0.498 978 Y N -0.537 119.754 120.300 -0.015 0.000 2.200 978 Y HA -0.177 4.372 4.550 -0.000 0.000 0.290 978 Y C 2.661 178.483 175.900 -0.130 0.000 1.137 978 Y CA 0.907 58.955 58.100 -0.088 0.000 1.163 978 Y CB -0.762 37.713 38.460 0.024 0.000 0.988 978 Y HN 0.245 nan 8.280 nan 0.000 0.518 979 A N 0.427 123.277 122.820 0.050 0.000 1.902 979 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 979 A C 2.201 179.750 177.584 -0.058 0.000 1.181 979 A CA 1.498 53.535 52.037 0.001 0.000 0.623 979 A CB -0.510 18.494 19.000 0.008 0.000 0.818 979 A HN 0.360 nan 8.150 nan 0.000 0.443 980 R N -0.650 119.782 120.500 -0.113 0.000 2.115 980 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 980 R C 2.273 178.460 176.300 -0.187 0.000 1.111 980 R CA 1.355 57.372 56.100 -0.139 0.000 0.976 980 R CB -0.215 29.997 30.300 -0.147 0.000 0.870 980 R HN 0.598 nan 8.270 nan 0.000 0.445 981 K N 0.374 120.595 120.400 -0.300 0.000 2.103 981 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 981 K C 1.898 178.424 176.600 -0.124 0.000 1.048 981 K CA 1.692 57.804 56.287 -0.291 0.000 0.930 981 K CB 0.087 32.333 32.500 -0.422 0.000 0.716 981 K HN 0.007 nan 8.250 nan 0.000 0.444 982 S N 0.982 116.636 115.700 -0.077 0.000 2.383 982 S HA -0.124 4.345 4.470 -0.000 0.000 0.227 982 S C 1.569 176.159 174.600 -0.016 0.000 1.026 982 S CA 1.386 59.568 58.200 -0.029 0.000 0.981 982 S CB -0.161 63.031 63.200 -0.012 0.000 0.818 982 S HN 0.406 nan 8.310 nan 0.000 0.472 983 E N 0.581 120.766 120.200 -0.025 0.000 2.106 983 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 983 E C 2.055 178.674 176.600 0.031 0.000 0.984 983 E CA 0.820 57.222 56.400 0.004 0.000 0.806 983 E CB -0.169 29.524 29.700 -0.012 0.000 0.750 983 E HN 0.214 nan 8.360 nan 0.000 0.458 984 V N 1.536 121.440 119.914 -0.015 0.000 2.295 984 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 984 V C 2.078 178.212 176.094 0.068 0.000 1.049 984 V CA 2.211 64.511 62.300 -0.000 0.000 1.024 984 V CB -0.433 31.351 31.823 -0.065 0.000 0.648 984 V HN 0.289 nan 8.190 nan 0.000 0.447 985 D N -0.062 120.355 120.400 0.028 0.000 2.104 985 D HA -0.247 4.393 4.640 -0.000 0.000 0.194 985 D C 2.211 178.538 176.300 0.045 0.000 0.994 985 D CA 1.770 55.788 54.000 0.031 0.000 0.830 985 D CB -0.178 40.627 40.800 0.008 0.000 0.959 985 D HN 0.361 nan 8.370 nan 0.000 0.452 986 K N -1.046 119.383 120.400 0.048 0.000 2.032 986 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 986 K C 2.160 178.797 176.600 0.061 0.000 1.048 986 K CA 1.280 57.591 56.287 0.041 0.000 0.927 986 K CB -0.503 32.020 32.500 0.040 0.000 0.712 986 K HN 0.222 nan 8.250 nan 0.000 0.441 987 F N 2.018 121.951 119.950 -0.028 0.000 2.126 987 F HA -0.242 4.284 4.527 -0.000 0.000 0.299 987 F C 1.746 177.528 175.800 -0.030 0.000 1.096 987 F CA 1.689 59.674 58.000 -0.024 0.000 1.255 987 F CB -0.187 38.801 39.000 -0.020 0.000 0.997 987 F HN 0.155 nan 8.300 nan 0.000 0.479 988 N N 0.617 119.429 118.700 0.188 0.000 2.244 988 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 988 N C 1.587 177.060 175.510 -0.062 0.000 1.016 988 N CA 1.157 54.254 53.050 0.078 0.000 0.866 988 N CB -0.325 38.217 38.487 0.092 0.000 0.980 988 N HN 0.390 nan 8.380 nan 0.000 0.430 989 K N 0.651 121.015 120.400 -0.060 0.000 2.288 989 K HA 0.014 4.334 4.320 -0.000 0.000 0.201 989 K C 1.102 177.624 176.600 -0.130 0.000 1.048 989 K CA 0.763 56.998 56.287 -0.087 0.000 0.956 989 K CB 0.162 32.629 32.500 -0.055 0.000 0.746 989 K HN 0.316 nan 8.250 nan 0.000 0.461 990 E N -0.062 120.027 120.200 -0.185 0.000 2.476 990 E HA 0.083 4.433 4.350 -0.000 0.000 0.199 990 E C -0.256 176.166 176.600 -0.297 0.000 1.021 990 E CA -0.009 56.259 56.400 -0.219 0.000 0.907 990 E CB 0.469 30.041 29.700 -0.213 0.000 0.974 990 E HN 0.205 nan 8.360 nan 0.000 0.489 991 N N -0.226 118.253 118.700 -0.369 0.000 2.296 991 N HA 0.148 4.888 4.740 -0.000 0.000 0.294 991 N C -0.335 175.031 175.510 -0.241 0.000 1.033 991 N CA -0.342 52.500 53.050 -0.346 0.000 0.839 991 N CB 2.018 40.139 38.487 -0.609 0.000 1.395 991 N HN -0.039 nan 8.380 nan 0.000 0.479 992 C N 0.154 119.316 119.300 -0.230 0.000 2.524 992 C HA 0.111 4.570 4.460 -0.000 0.000 0.284 992 C C 1.443 176.156 174.990 -0.461 0.000 1.346 992 C CA 0.014 58.761 59.018 -0.450 0.000 1.739 992 C CB -0.565 26.808 27.740 -0.611 0.000 2.119 992 C HN 0.813 nan 8.230 nan 0.000 0.501 993 W N 0.945 122.314 121.300 0.114 0.000 3.005 993 W HA 0.336 4.996 4.660 -0.001 0.000 0.374 993 W C 0.520 177.102 176.519 0.106 0.000 1.076 993 W CA -0.208 57.214 57.345 0.128 0.000 1.794 993 W CB 0.263 29.770 29.460 0.080 0.000 1.113 993 W HN 0.025 nan 8.180 nan 0.000 0.584 994 K N 1.163 121.718 120.400 0.258 0.000 2.422 994 K HA 0.463 4.783 4.320 -0.000 0.000 0.251 994 K C -0.289 176.523 176.600 0.354 0.000 0.933 994 K CA -0.900 55.564 56.287 0.296 0.000 0.798 994 K CB 2.206 34.925 32.500 0.366 0.000 1.238 994 K HN -0.442 nan 8.250 nan 0.000 0.428 995 K N 2.082 122.673 120.400 0.320 0.000 2.477 995 K HA 0.475 4.795 4.320 -0.000 0.000 0.255 995 K C -0.741 175.927 176.600 0.113 0.000 0.952 995 K CA -0.805 55.653 56.287 0.284 0.000 0.826 995 K CB 2.379 34.959 32.500 0.133 0.000 1.331 995 K HN 0.529 nan 8.250 nan 0.000 0.437 996 R N -0.203 120.316 120.500 0.032 0.000 2.732 996 R HA 0.728 5.067 4.340 -0.000 0.000 0.278 996 R C -0.014 176.253 176.300 -0.054 0.000 0.976 996 R CA -0.918 55.093 56.100 -0.148 0.000 0.963 996 R CB 1.910 31.981 30.300 -0.380 0.000 1.150 996 R HN 0.760 nan 8.270 nan 0.000 0.478 997 G N 1.071 109.830 108.800 -0.068 0.000 2.659 997 G HA2 0.590 4.549 3.960 -0.000 0.000 0.296 997 G HA3 0.590 4.549 3.960 -0.000 0.000 0.296 997 G C -2.064 172.814 174.900 -0.037 0.000 1.369 997 G CA -0.427 44.653 45.100 -0.032 0.000 0.937 997 G HN 0.360 nan 8.290 nan 0.000 0.485 998 L N 0.952 122.166 121.223 -0.014 0.000 2.470 998 L HA 0.811 5.151 4.340 -0.000 0.000 0.268 998 L C -1.064 175.858 176.870 0.088 0.000 0.964 998 L CA -0.550 54.287 54.840 -0.004 0.000 0.839 998 L CB 1.739 43.734 42.059 -0.107 0.000 1.276 998 L HN 0.796 nan 8.230 nan 0.000 0.403 999 C N 5.520 124.899 119.300 0.133 0.000 2.880 999 C HA 0.697 5.157 4.460 -0.000 0.000 0.320 999 C C -1.132 173.920 174.990 0.104 0.000 1.176 999 C CA -0.794 58.321 59.018 0.162 0.000 1.390 999 C CB 1.162 28.997 27.740 0.158 0.000 1.846 999 C HN 0.920 nan 8.230 nan 0.000 0.478 1000 I N 5.817 126.388 120.570 0.001 0.000 2.436 1000 I HA 0.707 4.877 4.170 -0.000 0.000 0.289 1000 I C -1.214 174.906 176.117 0.005 0.000 1.010 1000 I CA -0.617 60.578 61.300 -0.175 0.000 1.098 1000 I CB 1.019 38.601 38.000 -0.696 0.000 1.266 1000 I HN 0.671 nan 8.210 nan 0.000 0.434 1001 I N 9.355 129.984 120.570 0.097 0.000 2.582 1001 I HA 0.520 4.689 4.170 -0.000 0.000 0.292 1001 I C -2.450 173.858 176.117 0.320 0.000 1.066 1001 I CA -1.788 59.646 61.300 0.223 0.000 1.053 1001 I CB 2.659 40.703 38.000 0.073 0.000 1.241 1001 I HN 0.397 nan 8.210 nan 0.000 0.421 1002 P HA 0.404 nan 4.420 nan 0.000 0.283 1002 P C -0.949 176.523 177.300 0.286 0.000 1.278 1002 P CA -0.532 62.757 63.100 0.315 0.000 0.834 1002 P CB 2.123 33.940 31.700 0.194 0.000 1.150 1003 T N -0.843 113.880 114.554 0.282 0.000 2.923 1003 T HA 0.539 4.889 4.350 -0.000 0.000 0.311 1003 T C -1.424 173.461 174.700 0.308 0.000 1.183 1003 T CA -0.717 61.573 62.100 0.317 0.000 1.020 1003 T CB 0.969 70.113 68.868 0.461 0.000 1.165 1003 T HN 0.609 nan 8.240 nan 0.000 0.482 1004 K N 2.246 122.828 120.400 0.305 0.000 2.375 1004 K HA 0.773 5.093 4.320 -0.000 0.000 0.249 1004 K C -1.875 174.951 176.600 0.377 0.000 0.942 1004 K CA -0.883 55.587 56.287 0.304 0.000 0.806 1004 K CB 2.081 34.786 32.500 0.342 0.000 1.227 1004 K HN 0.445 nan 8.250 nan 0.000 0.430 1005 F N 1.094 121.113 119.950 0.115 0.000 2.585 1005 F HA 0.416 4.943 4.527 -0.001 0.000 0.319 1005 F C -0.246 175.489 175.800 -0.107 0.000 1.165 1005 F CA -0.269 57.795 58.000 0.107 0.000 0.949 1005 F CB 2.028 40.996 39.000 -0.053 0.000 1.218 1005 F HN 0.830 nan 8.300 nan 0.000 0.453 1006 G N 6.273 114.657 108.800 -0.694 0.000 2.378 1006 G HA2 0.418 4.378 3.960 -0.000 0.000 0.255 1006 G HA3 0.418 4.378 3.960 -0.000 0.000 0.255 1006 G C -0.721 173.374 174.900 -1.341 0.000 1.270 1006 G CA -0.426 43.583 45.100 -1.818 0.000 0.876 1006 G HN 0.479 nan 8.290 nan 0.000 0.521 1007 I N 2.444 122.427 120.570 -0.978 0.000 2.330 1007 I HA 0.474 4.644 4.170 -0.000 0.000 0.286 1007 I C 0.308 176.231 176.117 -0.324 0.000 1.025 1007 I CA -0.343 60.584 61.300 -0.623 0.000 1.197 1007 I CB -0.208 37.189 38.000 -1.006 0.000 1.358 1007 I HN 0.718 nan 8.210 nan 0.000 0.467 1008 S N 4.910 120.510 115.700 -0.165 0.000 2.758 1008 S HA 0.281 4.751 4.470 -0.000 0.000 0.278 1008 S C -0.953 173.583 174.600 -0.107 0.000 0.905 1008 S CA -0.967 57.181 58.200 -0.087 0.000 0.960 1008 S CB -0.217 62.974 63.200 -0.014 0.000 1.211 1008 S HN 0.150 nan 8.310 nan 0.000 0.462 1009 F N 2.398 122.289 119.950 -0.097 0.000 2.529 1009 F HA 0.302 4.829 4.527 -0.000 0.000 0.365 1009 F C 2.508 178.239 175.800 -0.115 0.000 1.102 1009 F CA 0.813 58.738 58.000 -0.124 0.000 1.271 1009 F CB 0.991 39.896 39.000 -0.159 0.000 1.120 1009 F HN 0.952 nan 8.300 nan 0.000 0.579 1010 T N -0.837 113.792 114.554 0.125 0.000 2.881 1010 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 1010 T C 0.609 175.349 174.700 0.067 0.000 1.068 1010 T CA 0.594 62.748 62.100 0.090 0.000 1.131 1010 T CB -0.528 68.517 68.868 0.295 0.000 0.871 1010 T HN 0.187 nan 8.240 nan 0.000 0.479 1011 V N 4.067 123.993 119.914 0.019 0.000 2.368 1011 V HA 0.220 4.340 4.120 -0.000 0.000 0.266 1011 V C -1.228 174.723 176.094 -0.237 0.000 1.045 1011 V CA -1.630 60.566 62.300 -0.174 0.000 0.899 1011 V CB 1.179 32.739 31.823 -0.438 0.000 1.006 1011 V HN 0.197 nan 8.190 nan 0.000 0.470 1012 P HA -0.205 nan 4.420 nan 0.000 0.216 1012 P C 1.568 178.822 177.300 -0.078 0.000 1.154 1012 P CA 1.490 64.542 63.100 -0.079 0.000 0.865 1012 P CB -0.029 31.666 31.700 -0.009 0.000 0.789 1013 F N -1.462 118.465 119.950 -0.039 0.000 2.451 1013 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 1013 F C 1.558 177.277 175.800 -0.135 0.000 1.101 1013 F CA 0.802 58.763 58.000 -0.066 0.000 1.436 1013 F CB -1.813 37.160 39.000 -0.045 0.000 1.074 1013 F HN -0.171 nan 8.300 nan 0.000 0.553 1014 L N 0.641 121.661 121.223 -0.338 0.000 2.478 1014 L HA -0.017 4.322 4.340 -0.000 0.000 0.223 1014 L C 0.794 177.432 176.870 -0.385 0.000 1.140 1014 L CA 0.390 54.920 54.840 -0.517 0.000 0.842 1014 L CB -0.686 40.667 42.059 -1.176 0.000 0.953 1014 L HN 0.153 nan 8.230 nan 0.000 0.452 1015 N N 2.384 121.001 118.700 -0.137 0.000 3.243 1015 N HA 0.046 4.786 4.740 -0.000 0.000 0.310 1015 N C -0.425 174.993 175.510 -0.154 0.000 1.313 1015 N CA 0.157 53.182 53.050 -0.042 0.000 1.204 1015 N CB 0.227 38.699 38.487 -0.025 0.000 1.483 1015 N HN 0.535 nan 8.380 nan 0.000 0.553 1016 Q N -0.934 118.756 119.800 -0.183 0.000 2.379 1016 Q HA 0.822 5.162 4.340 -0.000 0.000 0.278 1016 Q C -1.770 174.009 176.000 -0.368 0.000 1.068 1016 Q CA -1.279 54.332 55.803 -0.321 0.000 0.816 1016 Q CB 2.377 31.047 28.738 -0.113 0.000 1.387 1016 Q HN 0.057 nan 8.270 nan 0.000 0.413 1017 A N 0.798 123.235 122.820 -0.639 0.000 2.488 1017 A HA 0.840 5.160 4.320 -0.000 0.000 0.295 1017 A C -0.820 176.599 177.584 -0.274 0.000 1.045 1017 A CA -0.127 51.670 52.037 -0.400 0.000 0.703 1017 A CB 1.812 20.415 19.000 -0.662 0.000 1.271 1017 A HN 0.909 nan 8.150 nan 0.000 0.400 1018 G N -0.051 108.880 108.800 0.219 0.000 2.473 1018 G HA2 0.875 4.835 3.960 -0.000 0.000 0.321 1018 G HA3 0.875 4.835 3.960 -0.000 0.000 0.321 1018 G C -0.405 174.698 174.900 0.340 0.000 1.200 1018 G CA -0.003 45.315 45.100 0.362 0.000 0.963 1018 G HN 1.841 nan 8.290 nan 0.000 0.483 1019 A N -0.110 122.867 122.820 0.262 0.000 2.515 1019 A HA 0.823 5.143 4.320 -0.000 0.000 0.296 1019 A C -1.709 175.940 177.584 0.108 0.000 1.094 1019 A CA -0.640 51.511 52.037 0.190 0.000 0.718 1019 A CB 2.140 21.244 19.000 0.175 0.000 1.307 1019 A HN 1.370 nan 8.150 nan 0.000 0.408 1020 L N 1.453 122.692 121.223 0.027 0.000 2.439 1020 L HA 0.747 5.086 4.340 -0.000 0.000 0.270 1020 L C -1.525 175.227 176.870 -0.198 0.000 0.972 1020 L CA -0.111 54.686 54.840 -0.072 0.000 0.836 1020 L CB 1.247 43.250 42.059 -0.093 0.000 1.255 1020 L HN 0.608 nan 8.230 nan 0.000 0.404 1021 I N 4.677 125.129 120.570 -0.197 0.000 2.498 1021 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 1021 I C -0.945 175.042 176.117 -0.217 0.000 1.032 1021 I CA -0.776 60.407 61.300 -0.194 0.000 1.073 1021 I CB 1.709 39.689 38.000 -0.033 0.000 1.251 1021 I HN 0.544 nan 8.210 nan 0.000 0.426 1022 H N 5.105 124.134 119.070 -0.069 0.000 2.495 1022 H HA 0.492 5.048 4.556 -0.000 0.000 0.348 1022 H C -0.805 174.375 175.328 -0.247 0.000 1.113 1022 H CA -0.801 55.110 56.048 -0.229 0.000 1.195 1022 H CB 2.476 31.958 29.762 -0.467 0.000 1.521 1022 H HN 0.160 nan 8.280 nan 0.000 0.509 1023 V N 4.504 124.363 119.914 -0.091 0.000 2.370 1023 V HA 0.186 4.305 4.120 -0.000 0.000 0.283 1023 V C -0.235 175.743 176.094 -0.194 0.000 1.023 1023 V CA -0.747 61.533 62.300 -0.034 0.000 0.857 1023 V CB 0.019 31.893 31.823 0.085 0.000 0.985 1023 V HN 0.580 nan 8.190 nan 0.000 0.443 1024 Y N 1.969 122.318 120.300 0.082 0.000 2.295 1024 Y HA 0.203 4.752 4.550 -0.001 0.000 0.331 1024 Y C 2.093 177.957 175.900 -0.060 0.000 1.311 1024 Y CA 0.136 58.232 58.100 -0.006 0.000 1.430 1024 Y CB 0.738 39.195 38.460 -0.004 0.000 1.339 1024 Y HN 0.727 nan 8.280 nan 0.000 0.552 1025 T N -3.463 111.107 114.554 0.026 0.000 3.113 1025 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 1025 T C 0.768 175.429 174.700 -0.065 0.000 1.143 1025 T CA 0.908 62.934 62.100 -0.124 0.000 1.090 1025 T CB -0.341 68.322 68.868 -0.342 0.000 0.922 1025 T HN 0.734 nan 8.240 nan 0.000 0.521 1026 D N 0.773 121.180 120.400 0.011 0.000 2.340 1026 D HA 0.186 4.825 4.640 -0.000 0.000 0.220 1026 D C 1.685 178.036 176.300 0.085 0.000 1.039 1026 D CA 0.551 54.566 54.000 0.024 0.000 0.866 1026 D CB -0.646 40.166 40.800 0.021 0.000 0.913 1026 D HN 0.531 nan 8.370 nan 0.000 0.523 1027 G N 0.522 109.392 108.800 0.116 0.000 2.199 1027 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 1027 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 1027 G C 0.397 175.579 174.900 0.470 0.000 0.982 1027 G CA 0.463 45.732 45.100 0.282 0.000 0.632 1027 G HN 0.840 nan 8.290 nan 0.000 0.529 1028 S N -0.555 115.324 115.700 0.299 0.000 2.576 1028 S HA 0.665 5.135 4.470 -0.000 0.000 0.276 1028 S C 0.042 174.844 174.600 0.338 0.000 1.339 1028 S CA -0.018 58.347 58.200 0.274 0.000 1.039 1028 S CB 2.391 65.702 63.200 0.185 0.000 0.902 1028 S HN 1.110 nan 8.310 nan 0.000 0.516 1029 V N 3.308 123.389 119.914 0.278 0.000 2.540 1029 V HA 0.524 4.644 4.120 -0.000 0.000 0.302 1029 V C -0.599 175.640 176.094 0.242 0.000 1.035 1029 V CA -0.821 61.625 62.300 0.242 0.000 0.873 1029 V CB 1.353 33.286 31.823 0.184 0.000 0.992 1029 V HN 0.892 nan 8.190 nan 0.000 0.428 1030 L N 6.245 127.609 121.223 0.235 0.000 2.298 1030 L HA 0.684 5.023 4.340 -0.000 0.000 0.284 1030 L C -0.531 176.374 176.870 0.058 0.000 1.013 1030 L CA 0.044 55.020 54.840 0.227 0.000 0.824 1030 L CB 1.649 43.953 42.059 0.409 0.000 1.221 1030 L HN 0.455 nan 8.230 nan 0.000 0.418 1031 V N 4.075 124.004 119.914 0.025 0.000 2.427 1031 V HA 0.631 4.751 4.120 -0.000 0.000 0.286 1031 V C 0.042 176.100 176.094 -0.059 0.000 1.034 1031 V CA -0.343 61.947 62.300 -0.017 0.000 0.893 1031 V CB 1.544 33.380 31.823 0.022 0.000 0.982 1031 V HN 0.841 nan 8.190 nan 0.000 0.452 1032 S N 4.415 120.074 115.700 -0.068 0.000 2.521 1032 S HA 0.742 5.212 4.470 -0.000 0.000 0.295 1032 S C -0.864 173.727 174.600 -0.014 0.000 1.098 1032 S CA -0.621 57.514 58.200 -0.109 0.000 0.999 1032 S CB 0.821 63.954 63.200 -0.113 0.000 1.034 1032 S HN 1.035 nan 8.310 nan 0.000 0.483 1033 H N 0.791 119.801 119.070 -0.099 0.000 2.966 1033 H HA 0.463 5.019 4.556 -0.000 0.000 0.330 1033 H C 0.767 175.956 175.328 -0.232 0.000 1.292 1033 H CA -0.502 55.489 56.048 -0.096 0.000 1.127 1033 H CB 1.045 30.764 29.762 -0.072 0.000 1.863 1033 H HN 0.677 nan 8.280 nan 0.000 0.543 1034 G N -0.353 108.302 108.800 -0.242 0.000 2.650 1034 G HA2 0.132 4.092 3.960 -0.000 0.000 0.214 1034 G HA3 0.132 4.092 3.960 -0.000 0.000 0.214 1034 G C 0.678 175.229 174.900 -0.580 0.000 1.136 1034 G CA 0.349 45.287 45.100 -0.270 0.000 0.789 1034 G HN 0.795 nan 8.290 nan 0.000 0.536 1035 G N -0.063 108.109 108.800 -1.046 0.000 2.448 1035 G HA2 0.470 4.430 3.960 -0.000 0.000 0.285 1035 G HA3 0.470 4.430 3.960 -0.000 0.000 0.285 1035 G C 0.020 174.748 174.900 -0.287 0.000 1.176 1035 G CA 0.278 45.039 45.100 -0.566 0.000 0.852 1035 G HN 0.337 nan 8.290 nan 0.000 0.530 1036 T N -1.514 112.937 114.554 -0.170 0.000 2.918 1036 T HA 0.574 4.924 4.350 -0.000 0.000 0.286 1036 T C -0.472 174.062 174.700 -0.276 0.000 1.026 1036 T CA -0.808 61.188 62.100 -0.173 0.000 1.031 1036 T CB 2.290 71.092 68.868 -0.110 0.000 1.046 1036 T HN 0.453 nan 8.240 nan 0.000 0.479 1037 E N 2.066 122.057 120.200 -0.348 0.000 2.146 1037 E HA 0.427 4.776 4.350 -0.000 0.000 0.282 1037 E C 0.342 176.855 176.600 -0.144 0.000 0.989 1037 E CA -0.706 55.490 56.400 -0.339 0.000 0.799 1037 E CB 0.808 30.280 29.700 -0.379 0.000 1.088 1037 E HN 0.781 nan 8.360 nan 0.000 0.397 1038 M N 2.432 121.959 119.600 -0.121 0.000 2.414 1038 M HA 0.497 4.977 4.480 -0.000 0.000 0.357 1038 M C 0.774 177.016 176.300 -0.096 0.000 1.059 1038 M CA 0.155 55.379 55.300 -0.127 0.000 0.959 1038 M CB 0.837 33.307 32.600 -0.217 0.000 1.522 1038 M HN 0.585 nan 8.290 nan 0.000 0.551 1039 G N 1.709 110.515 108.800 0.009 0.000 2.255 1039 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.196 1039 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.196 1039 G C 0.791 175.768 174.900 0.129 0.000 0.998 1039 G CA 0.330 45.474 45.100 0.073 0.000 0.656 1039 G HN 0.595 nan 8.290 nan 0.000 0.490 1040 Q N 1.571 121.404 119.800 0.055 0.000 2.444 1040 Q HA 0.329 4.669 4.340 -0.000 0.000 0.206 1040 Q C 1.542 177.564 176.000 0.038 0.000 0.948 1040 Q CA 1.329 57.161 55.803 0.048 0.000 0.946 1040 Q CB -0.331 28.408 28.738 0.002 0.000 1.027 1040 Q HN 1.914 nan 8.270 nan 0.000 0.513 1041 G N 1.923 110.734 108.800 0.019 0.000 2.198 1041 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 1041 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 1041 G C 0.316 175.122 174.900 -0.157 0.000 1.042 1041 G CA 0.436 45.428 45.100 -0.180 0.000 0.791 1041 G HN 0.418 nan 8.290 nan 0.000 0.502 1042 L N -0.156 120.977 121.223 -0.150 0.000 2.027 1042 L HA 0.098 4.438 4.340 -0.000 0.000 0.206 1042 L C 2.539 179.377 176.870 -0.053 0.000 1.074 1042 L CA 2.723 57.498 54.840 -0.109 0.000 0.745 1042 L CB -0.486 41.501 42.059 -0.119 0.000 0.898 1042 L HN 0.389 nan 8.230 nan 0.000 0.433 1043 H N -0.788 118.251 119.070 -0.051 0.000 2.387 1043 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 1043 H C 2.134 177.398 175.328 -0.107 0.000 1.090 1043 H CA 1.767 57.791 56.048 -0.040 0.000 1.332 1043 H CB -1.009 28.708 29.762 -0.074 0.000 1.386 1043 H HN 0.360 nan 8.280 nan 0.000 0.516 1044 T N 1.326 115.833 114.554 -0.078 0.000 2.635 1044 T HA -0.154 4.195 4.350 -0.000 0.000 0.267 1044 T C 2.034 176.704 174.700 -0.049 0.000 1.040 1044 T CA 1.629 63.665 62.100 -0.106 0.000 1.156 1044 T CB -0.038 68.705 68.868 -0.208 0.000 0.863 1044 T HN 0.363 nan 8.240 nan 0.000 0.430 1045 K N 0.374 120.745 120.400 -0.048 0.000 2.063 1045 K HA -0.013 4.306 4.320 -0.000 0.000 0.208 1045 K C 2.403 178.999 176.600 -0.007 0.000 1.048 1045 K CA 1.145 57.420 56.287 -0.021 0.000 0.928 1045 K CB -0.168 32.321 32.500 -0.019 0.000 0.713 1045 K HN 0.236 nan 8.250 nan 0.000 0.442 1046 M N 0.373 119.960 119.600 -0.021 0.000 2.175 1046 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 1046 M C 2.254 178.557 176.300 0.005 0.000 1.063 1046 M CA 1.243 56.523 55.300 -0.035 0.000 1.119 1046 M CB -0.656 31.868 32.600 -0.127 0.000 1.377 1046 M HN -0.053 nan 8.290 nan 0.000 0.415 1047 V N 0.411 120.329 119.914 0.007 0.000 2.358 1047 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 1047 V C 2.413 178.510 176.094 0.005 0.000 1.047 1047 V CA 1.518 63.821 62.300 0.005 0.000 1.035 1047 V CB -0.743 31.078 31.823 -0.003 0.000 0.658 1047 V HN 0.513 nan 8.190 nan 0.000 0.452 1048 Q N -0.599 119.202 119.800 0.002 0.000 2.084 1048 Q HA -0.174 4.165 4.340 -0.000 0.000 0.202 1048 Q C 2.367 178.383 176.000 0.025 0.000 0.978 1048 Q CA 1.815 57.617 55.803 -0.002 0.000 0.844 1048 Q CB -0.331 28.400 28.738 -0.010 0.000 0.898 1048 Q HN 0.538 nan 8.270 nan 0.000 0.426 1049 V N 0.952 120.913 119.914 0.079 0.000 2.295 1049 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 1049 V C 2.290 178.487 176.094 0.173 0.000 1.049 1049 V CA 1.895 64.316 62.300 0.200 0.000 1.024 1049 V CB -0.986 30.954 31.823 0.195 0.000 0.648 1049 V HN 0.410 nan 8.190 nan 0.000 0.447 1050 A N -0.455 122.418 122.820 0.090 0.000 1.902 1050 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 1050 A C 2.584 180.177 177.584 0.015 0.000 1.181 1050 A CA 2.327 54.398 52.037 0.056 0.000 0.623 1050 A CB -0.861 18.158 19.000 0.032 0.000 0.818 1050 A HN 0.532 nan 8.150 nan 0.000 0.443 1051 S N -0.375 115.320 115.700 -0.010 0.000 2.368 1051 S HA -0.235 4.234 4.470 -0.000 0.000 0.225 1051 S C 2.113 176.685 174.600 -0.047 0.000 1.030 1051 S CA 2.014 60.180 58.200 -0.058 0.000 0.999 1051 S CB -0.325 62.841 63.200 -0.057 0.000 0.844 1051 S HN 0.628 nan 8.310 nan 0.000 0.459 1052 K N 0.430 120.823 120.400 -0.012 0.000 2.025 1052 K HA 0.048 4.368 4.320 -0.000 0.000 0.207 1052 K C 2.252 178.888 176.600 0.060 0.000 1.049 1052 K CA 1.132 57.404 56.287 -0.025 0.000 0.933 1052 K CB -0.590 31.825 32.500 -0.141 0.000 0.714 1052 K HN 0.406 nan 8.250 nan 0.000 0.438 1053 A N 1.154 124.063 122.820 0.149 0.000 1.898 1053 A HA -0.080 4.239 4.320 -0.000 0.000 0.216 1053 A C 2.038 179.649 177.584 0.045 0.000 1.181 1053 A CA 1.213 53.343 52.037 0.154 0.000 0.620 1053 A CB -0.514 18.562 19.000 0.127 0.000 0.819 1053 A HN 0.335 nan 8.150 nan 0.000 0.442 1054 L N -1.576 119.648 121.223 0.001 0.000 2.418 1054 L HA 0.015 4.354 4.340 -0.000 0.000 0.218 1054 L C 0.262 177.094 176.870 -0.063 0.000 1.125 1054 L CA 0.492 55.311 54.840 -0.035 0.000 0.835 1054 L CB -0.200 41.768 42.059 -0.151 0.000 0.953 1054 L HN 0.358 nan 8.230 nan 0.000 0.454 1055 K N 1.225 121.593 120.400 -0.053 0.000 3.125 1055 K HA -0.182 4.137 4.320 -0.000 0.000 0.268 1055 K C -0.376 176.148 176.600 -0.126 0.000 1.078 1055 K CA 0.650 56.913 56.287 -0.040 0.000 0.775 1055 K CB -1.945 30.582 32.500 0.045 0.000 1.253 1055 K HN 0.521 nan 8.250 nan 0.000 0.486 1056 I N -4.221 116.204 120.570 -0.242 0.000 2.934 1056 I HA 0.643 4.813 4.170 -0.000 0.000 0.306 1056 I C -2.694 173.290 176.117 -0.221 0.000 1.110 1056 I CA -3.168 57.927 61.300 -0.342 0.000 1.019 1056 I CB 2.312 39.851 38.000 -0.769 0.000 1.227 1056 I HN -0.290 nan 8.210 nan 0.000 0.434 1057 P HA 0.196 nan 4.420 nan 0.000 0.269 1057 P C 1.102 178.344 177.300 -0.096 0.000 1.209 1057 P CA -0.253 62.782 63.100 -0.109 0.000 0.776 1057 P CB 0.572 32.222 31.700 -0.083 0.000 0.876 1058 I N 0.148 120.683 120.570 -0.058 0.000 2.423 1058 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 1058 I C 1.608 177.719 176.117 -0.009 0.000 1.151 1058 I CA 2.021 63.302 61.300 -0.032 0.000 1.421 1058 I CB -1.103 36.887 38.000 -0.015 0.000 1.079 1058 I HN 0.240 nan 8.210 nan 0.000 0.431 1059 S N 1.174 116.865 115.700 -0.015 0.000 2.469 1059 S HA -0.099 4.371 4.470 -0.000 0.000 0.238 1059 S C 1.749 176.354 174.600 0.007 0.000 0.998 1059 S CA 0.795 58.997 58.200 0.003 0.000 0.957 1059 S CB -0.515 62.680 63.200 -0.008 0.000 0.764 1059 S HN 0.615 nan 8.310 nan 0.000 0.514 1060 K N 0.296 120.684 120.400 -0.019 0.000 2.404 1060 K HA 0.365 4.684 4.320 -0.000 0.000 0.194 1060 K C -0.158 176.469 176.600 0.046 0.000 1.023 1060 K CA 0.155 56.440 56.287 -0.003 0.000 1.094 1060 K CB 0.111 32.560 32.500 -0.085 0.000 0.841 1060 K HN 0.459 nan 8.250 nan 0.000 0.523 1061 I N 0.163 120.765 120.570 0.054 0.000 2.530 1061 I HA 0.270 4.439 4.170 -0.000 0.000 0.297 1061 I C -1.069 175.159 176.117 0.185 0.000 1.011 1061 I CA -1.261 60.096 61.300 0.095 0.000 1.107 1061 I CB 1.349 39.370 38.000 0.034 0.000 1.285 1061 I HN -0.145 nan 8.210 nan 0.000 0.436 1062 Y N 5.828 126.143 120.300 0.024 0.000 2.470 1062 Y HA 0.634 5.184 4.550 -0.001 0.000 0.341 1062 Y C -1.285 174.604 175.900 -0.019 0.000 1.021 1062 Y CA -0.931 57.172 58.100 0.006 0.000 1.025 1062 Y CB 1.680 40.152 38.460 0.019 0.000 1.266 1062 Y HN 0.341 nan 8.280 nan 0.000 0.448 1063 I N 4.297 124.503 120.570 -0.607 0.000 2.389 1063 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 1063 I C 0.459 176.032 176.117 -0.908 0.000 0.999 1063 I CA -0.261 60.674 61.300 -0.608 0.000 1.129 1063 I CB 2.074 39.714 38.000 -0.600 0.000 1.288 1063 I HN 0.704 nan 8.210 nan 0.000 0.444 1064 S N 5.067 120.458 115.700 -0.516 0.000 2.412 1064 S HA 0.153 4.623 4.470 -0.000 0.000 0.223 1064 S C 0.338 174.804 174.600 -0.223 0.000 1.048 1064 S CA 0.544 58.568 58.200 -0.294 0.000 0.954 1064 S CB 0.260 63.486 63.200 0.042 0.000 0.840 1064 S HN 0.814 nan 8.310 nan 0.000 0.503 1065 E N -1.093 118.969 120.200 -0.231 0.000 2.432 1065 E HA 0.351 4.701 4.350 -0.000 0.000 0.279 1065 E C -1.698 174.790 176.600 -0.187 0.000 1.099 1065 E CA -0.985 55.328 56.400 -0.146 0.000 0.859 1065 E CB 0.710 30.384 29.700 -0.042 0.000 1.402 1065 E HN -0.010 nan 8.360 nan 0.000 0.451 1066 T N 1.176 115.656 114.554 -0.123 0.000 2.794 1066 T HA 0.643 4.993 4.350 -0.000 0.000 0.280 1066 T C -0.826 173.812 174.700 -0.102 0.000 0.987 1066 T CA -0.497 61.509 62.100 -0.156 0.000 0.993 1066 T CB 1.132 69.910 68.868 -0.150 0.000 0.939 1066 T HN 0.588 nan 8.240 nan 0.000 0.449 1067 S N 0.179 115.820 115.700 -0.097 0.000 2.533 1067 S HA 0.397 4.866 4.470 -0.000 0.000 0.271 1067 S C 0.962 175.527 174.600 -0.057 0.000 1.143 1067 S CA -0.643 57.514 58.200 -0.072 0.000 0.891 1067 S CB 1.338 64.506 63.200 -0.053 0.000 1.105 1067 S HN 0.712 nan 8.310 nan 0.000 0.468 1068 T N -0.880 113.639 114.554 -0.058 0.000 3.035 1068 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 1068 T C 1.113 175.797 174.700 -0.026 0.000 1.109 1068 T CA 1.267 63.341 62.100 -0.042 0.000 1.119 1068 T CB -0.763 68.073 68.868 -0.052 0.000 0.900 1068 T HN 0.744 nan 8.240 nan 0.000 0.503 1069 N N 1.479 120.164 118.700 -0.024 0.000 2.336 1069 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 1069 N C 1.321 176.839 175.510 0.014 0.000 1.113 1069 N CA 0.821 53.867 53.050 -0.006 0.000 0.858 1069 N CB -0.280 38.202 38.487 -0.007 0.000 0.970 1069 N HN 0.647 nan 8.380 nan 0.000 0.471 1070 T N -3.301 111.259 114.554 0.009 0.000 3.071 1070 T HA 0.276 4.626 4.350 -0.000 0.000 0.239 1070 T C 0.386 175.099 174.700 0.022 0.000 0.997 1070 T CA 0.053 62.166 62.100 0.022 0.000 1.134 1070 T CB -0.113 68.759 68.868 0.007 0.000 0.928 1070 T HN -0.111 nan 8.240 nan 0.000 0.453 1071 V N 4.691 124.613 119.914 0.013 0.000 2.409 1071 V HA 0.525 4.645 4.120 -0.000 0.000 0.290 1071 V C -2.562 173.558 176.094 0.044 0.000 1.017 1071 V CA -1.944 60.384 62.300 0.048 0.000 0.841 1071 V CB 1.865 33.727 31.823 0.065 0.000 1.003 1071 V HN 0.370 nan 8.190 nan 0.000 0.426 1072 P HA 0.413 nan 4.420 nan 0.000 0.281 1072 P C -0.277 177.056 177.300 0.054 0.000 1.264 1072 P CA -0.400 62.719 63.100 0.031 0.000 0.824 1072 P CB 0.750 32.459 31.700 0.015 0.000 1.092 1073 N N -1.962 116.754 118.700 0.027 0.000 2.735 1073 N HA -0.128 4.612 4.740 -0.000 0.000 0.248 1073 N C -0.153 175.398 175.510 0.068 0.000 1.083 1073 N CA 1.012 54.081 53.050 0.030 0.000 0.703 1073 N CB -2.342 36.162 38.487 0.029 0.000 1.005 1073 N HN 0.627 nan 8.380 nan 0.000 0.550 1074 S N -1.693 114.048 115.700 0.069 0.000 2.580 1074 S HA 0.489 4.959 4.470 -0.000 0.000 0.274 1074 S C 0.713 175.351 174.600 0.064 0.000 1.329 1074 S CA -0.632 57.635 58.200 0.112 0.000 1.036 1074 S CB 1.808 65.078 63.200 0.117 0.000 0.919 1074 S HN 0.188 nan 8.310 nan 0.000 0.515 1075 S N 3.524 119.263 115.700 0.066 0.000 2.593 1075 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 1075 S C -2.072 172.565 174.600 0.061 0.000 1.334 1075 S CA -0.853 57.317 58.200 -0.050 0.000 1.015 1075 S CB -0.106 62.940 63.200 -0.257 0.000 0.912 1075 S HN 0.718 nan 8.310 nan 0.000 0.541 1076 P HA 0.088 nan 4.420 nan 0.000 0.270 1076 P C -0.729 176.725 177.300 0.256 0.000 1.223 1076 P CA -0.234 62.941 63.100 0.124 0.000 0.785 1076 P CB -0.007 31.769 31.700 0.126 0.000 0.923 1077 T N 1.413 116.074 114.554 0.179 0.000 2.848 1077 T HA 0.485 4.835 4.350 -0.000 0.000 0.283 1077 T C 0.270 175.058 174.700 0.147 0.000 0.919 1077 T CA 0.343 62.557 62.100 0.191 0.000 1.071 1077 T CB -0.700 68.213 68.868 0.075 0.000 0.912 1077 T HN 0.620 nan 8.240 nan 0.000 0.570 1078 A N 2.150 125.071 122.820 0.167 0.000 2.536 1078 A HA 0.844 5.163 4.320 -0.000 0.000 0.293 1078 A C 0.570 177.943 177.584 -0.351 0.000 1.119 1078 A CA -0.297 51.741 52.037 0.001 0.000 0.654 1078 A CB 0.072 19.137 19.000 0.109 0.000 1.291 1078 A HN 1.507 nan 8.150 nan 0.000 0.439 1079 A N -0.928 121.624 122.820 -0.447 0.000 2.861 1079 A HA 0.043 4.363 4.320 -0.000 0.000 0.261 1079 A C 1.255 178.655 177.584 -0.307 0.000 1.351 1079 A CA 1.834 53.524 52.037 -0.578 0.000 0.904 1079 A CB -2.496 15.701 19.000 -1.338 0.000 1.076 1079 A HN 2.526 nan 8.150 nan 0.000 0.729 1080 S N -4.475 111.125 115.700 -0.168 0.000 3.146 1080 S HA -0.353 4.117 4.470 -0.000 0.000 0.285 1080 S C 1.146 175.696 174.600 -0.082 0.000 1.293 1080 S CA 1.990 60.139 58.200 -0.085 0.000 1.137 1080 S CB -2.427 60.741 63.200 -0.054 0.000 1.357 1080 S HN 2.326 nan 8.310 nan 0.000 0.678 1081 V N -2.046 117.782 119.914 -0.143 0.000 3.647 1081 V HA 0.274 4.394 4.120 -0.000 0.000 0.279 1081 V C 1.651 177.727 176.094 -0.030 0.000 1.314 1081 V CA 0.917 63.159 62.300 -0.098 0.000 1.125 1081 V CB 0.293 32.020 31.823 -0.159 0.000 0.907 1081 V HN 0.375 nan 8.190 nan 0.000 0.434 1082 S N 1.765 117.490 115.700 0.042 0.000 2.359 1082 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 1082 S C 1.989 176.678 174.600 0.148 0.000 1.035 1082 S CA 2.280 60.598 58.200 0.196 0.000 1.018 1082 S CB -0.615 62.761 63.200 0.294 0.000 0.876 1082 S HN 0.759 nan 8.310 nan 0.000 0.448 1083 T N 2.354 116.946 114.554 0.064 0.000 2.684 1083 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 1083 T C 1.407 176.082 174.700 -0.041 0.000 1.036 1083 T CA 1.659 63.769 62.100 0.016 0.000 1.148 1083 T CB -0.667 68.208 68.868 0.012 0.000 0.863 1083 T HN 0.317 nan 8.240 nan 0.000 0.436 1084 D N 1.228 121.602 120.400 -0.044 0.000 2.092 1084 D HA -0.084 4.555 4.640 -0.000 0.000 0.193 1084 D C 2.138 178.288 176.300 -0.250 0.000 0.994 1084 D CA 1.217 55.155 54.000 -0.103 0.000 0.828 1084 D CB -0.374 40.429 40.800 0.004 0.000 0.963 1084 D HN 0.597 nan 8.370 nan 0.000 0.450 1085 I N -2.860 117.574 120.570 -0.227 0.000 2.494 1085 I HA -0.076 4.094 4.170 -0.000 0.000 0.250 1085 I C 1.784 177.675 176.117 -0.375 0.000 1.112 1085 I CA 0.688 61.808 61.300 -0.300 0.000 1.438 1085 I CB -0.647 37.209 38.000 -0.240 0.000 1.111 1085 I HN -0.074 nan 8.210 nan 0.000 0.431 1086 Y N 2.404 122.656 120.300 -0.079 0.000 2.314 1086 Y HA 0.091 4.641 4.550 -0.001 0.000 0.293 1086 Y C 2.824 178.625 175.900 -0.166 0.000 1.129 1086 Y CA 1.029 59.062 58.100 -0.110 0.000 1.201 1086 Y CB -0.663 37.699 38.460 -0.163 0.000 0.999 1086 Y HN 0.220 nan 8.280 nan 0.000 0.541 1087 G N -0.295 108.459 108.800 -0.076 0.000 2.440 1087 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 1087 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 1087 G C 1.487 176.300 174.900 -0.146 0.000 1.154 1087 G CA 1.085 46.121 45.100 -0.107 0.000 0.767 1087 G HN 0.277 nan 8.290 nan 0.000 0.552 1088 Q N 0.399 120.019 119.800 -0.300 0.000 2.046 1088 Q HA 0.155 4.495 4.340 -0.000 0.000 0.200 1088 Q C 2.811 178.772 176.000 -0.066 0.000 0.975 1088 Q CA 1.777 57.374 55.803 -0.344 0.000 0.836 1088 Q CB -0.580 27.599 28.738 -0.931 0.000 0.896 1088 Q HN 0.381 nan 8.270 nan 0.000 0.428 1089 A N -0.637 122.165 122.820 -0.030 0.000 1.883 1089 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 1089 A C 2.272 179.920 177.584 0.107 0.000 1.186 1089 A CA 1.792 53.881 52.037 0.087 0.000 0.624 1089 A CB -1.007 18.064 19.000 0.118 0.000 0.822 1089 A HN 0.271 nan 8.150 nan 0.000 0.444 1090 V N -1.415 118.551 119.914 0.087 0.000 2.287 1090 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 1090 V C 2.343 178.488 176.094 0.085 0.000 1.053 1090 V CA 2.211 64.558 62.300 0.078 0.000 1.027 1090 V CB -1.060 30.790 31.823 0.046 0.000 0.646 1090 V HN 0.713 nan 8.190 nan 0.000 0.447 1091 Y N 1.249 121.529 120.300 -0.034 0.000 2.114 1091 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 1091 Y C 2.650 178.549 175.900 -0.001 0.000 1.165 1091 Y CA 2.185 60.261 58.100 -0.039 0.000 1.148 1091 Y CB -0.136 38.237 38.460 -0.144 0.000 0.972 1091 Y HN 0.243 nan 8.280 nan 0.000 0.504 1092 E N 0.259 120.512 120.200 0.088 0.000 2.077 1092 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 1092 E C 2.424 179.015 176.600 -0.014 0.000 0.989 1092 E CA 1.159 57.581 56.400 0.037 0.000 0.800 1092 E CB -0.795 28.989 29.700 0.140 0.000 0.746 1092 E HN 0.592 nan 8.360 nan 0.000 0.452 1093 A N 0.642 123.476 122.820 0.023 0.000 1.933 1093 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 1093 A C 2.611 180.193 177.584 -0.003 0.000 1.175 1093 A CA 1.388 53.441 52.037 0.026 0.000 0.628 1093 A CB -0.831 18.197 19.000 0.047 0.000 0.814 1093 A HN 0.339 nan 8.150 nan 0.000 0.444 1094 C N -0.886 118.387 119.300 -0.046 0.000 2.446 1094 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 1094 C C 2.859 177.798 174.990 -0.086 0.000 1.275 1094 C CA 1.024 60.013 59.018 -0.048 0.000 1.727 1094 C CB -0.972 26.723 27.740 -0.075 0.000 2.010 1094 C HN 0.596 nan 8.230 nan 0.000 0.486 1095 Q N 0.512 120.186 119.800 -0.210 0.000 2.124 1095 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 1095 Q C 2.214 178.182 176.000 -0.054 0.000 0.977 1095 Q CA 1.925 57.621 55.803 -0.178 0.000 0.850 1095 Q CB -1.165 27.419 28.738 -0.256 0.000 0.901 1095 Q HN 0.646 nan 8.270 nan 0.000 0.429 1096 T N 1.729 116.267 114.554 -0.026 0.000 2.708 1096 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 1096 T C 2.068 176.787 174.700 0.032 0.000 1.037 1096 T CA 1.073 63.180 62.100 0.011 0.000 1.146 1096 T CB -0.262 68.620 68.868 0.024 0.000 0.865 1096 T HN 0.193 nan 8.240 nan 0.000 0.435 1097 I N 0.787 121.386 120.570 0.049 0.000 2.163 1097 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 1097 I C 2.348 178.525 176.117 0.101 0.000 1.085 1097 I CA 1.283 62.636 61.300 0.088 0.000 1.347 1097 I CB -0.452 37.633 38.000 0.141 0.000 1.044 1097 I HN 0.201 nan 8.210 nan 0.000 0.408 1098 L N 0.508 121.790 121.223 0.097 0.000 2.042 1098 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 1098 L C 2.662 179.560 176.870 0.047 0.000 1.076 1098 L CA 1.556 56.454 54.840 0.096 0.000 0.749 1098 L CB -0.641 41.457 42.059 0.065 0.000 0.893 1098 L HN 0.280 nan 8.230 nan 0.000 0.432 1099 K N 0.435 120.851 120.400 0.027 0.000 2.057 1099 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 1099 K C 2.263 178.878 176.600 0.024 0.000 1.049 1099 K CA 1.379 57.673 56.287 0.012 0.000 0.931 1099 K CB 0.033 32.538 32.500 0.008 0.000 0.714 1099 K HN 0.227 nan 8.250 nan 0.000 0.440 1100 R N 0.207 120.738 120.500 0.052 0.000 2.115 1100 R HA -0.023 4.316 4.340 -0.000 0.000 0.230 1100 R C 2.268 178.673 176.300 0.175 0.000 1.111 1100 R CA 0.961 57.117 56.100 0.093 0.000 0.976 1100 R CB -0.115 30.235 30.300 0.083 0.000 0.870 1100 R HN 0.243 nan 8.270 nan 0.000 0.445 1101 L N 0.208 121.508 121.223 0.129 0.000 2.341 1101 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 1101 L C 2.267 179.185 176.870 0.080 0.000 1.115 1101 L CA 0.464 55.407 54.840 0.171 0.000 0.820 1101 L CB -0.187 41.906 42.059 0.057 0.000 0.944 1101 L HN 0.093 nan 8.230 nan 0.000 0.452 1102 E N 1.221 121.402 120.200 -0.032 0.000 2.070 1102 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 1102 E C -0.634 175.822 176.600 -0.241 0.000 1.004 1102 E CA 1.786 58.096 56.400 -0.150 0.000 0.805 1102 E CB -1.032 28.604 29.700 -0.108 0.000 0.744 1102 E HN 0.243 nan 8.360 nan 0.000 0.451 1103 P HA -0.121 nan 4.420 nan 0.000 0.218 1103 P C 0.834 177.782 177.300 -0.588 0.000 1.148 1103 P CA 1.326 64.116 63.100 -0.516 0.000 0.822 1103 P CB -0.150 31.088 31.700 -0.768 0.000 0.784 1104 F N -0.249 119.599 119.950 -0.170 0.000 2.293 1104 F HA 0.021 4.548 4.527 -0.001 0.000 0.297 1104 F C 2.202 177.792 175.800 -0.350 0.000 1.089 1104 F CA 0.934 58.843 58.000 -0.152 0.000 1.377 1104 F CB -0.775 38.188 39.000 -0.061 0.000 1.051 1104 F HN -0.211 nan 8.300 nan 0.000 0.511 1105 K N 0.836 120.891 120.400 -0.575 0.000 2.032 1105 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 1105 K C 1.920 178.266 176.600 -0.423 0.000 1.048 1105 K CA 1.502 57.157 56.287 -1.052 0.000 0.927 1105 K CB -0.219 31.654 32.500 -1.045 0.000 0.712 1105 K HN 0.219 nan 8.250 nan 0.000 0.441 1106 K N 0.791 121.019 120.400 -0.286 0.000 2.211 1106 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 1106 K C 1.846 178.392 176.600 -0.090 0.000 1.050 1106 K CA 1.097 57.287 56.287 -0.161 0.000 0.945 1106 K CB 0.063 32.468 32.500 -0.158 0.000 0.732 1106 K HN 0.096 nan 8.250 nan 0.000 0.451 1107 K N 0.191 120.542 120.400 -0.083 0.000 2.296 1107 K HA -0.042 4.277 4.320 -0.000 0.000 0.200 1107 K C 0.691 177.336 176.600 0.075 0.000 1.048 1107 K CA 0.606 56.890 56.287 -0.006 0.000 0.966 1107 K CB 0.127 32.632 32.500 0.008 0.000 0.754 1107 K HN -0.049 nan 8.250 nan 0.000 0.466 1108 N N 0.012 118.792 118.700 0.133 0.000 2.703 1108 N HA 0.117 4.857 4.740 -0.000 0.000 0.283 1108 N C -2.354 173.381 175.510 0.374 0.000 1.851 1108 N CA -1.812 51.394 53.050 0.261 0.000 0.826 1108 N CB 0.922 39.635 38.487 0.376 0.000 1.239 1108 N HN -0.172 nan 8.380 nan 0.000 0.495 1109 P HA -0.011 nan 4.420 nan 0.000 0.220 1109 P C -0.107 177.373 177.300 0.299 0.000 1.148 1109 P CA 1.123 64.352 63.100 0.214 0.000 0.803 1109 P CB 0.493 32.253 31.700 0.100 0.000 0.782 1110 D N -0.524 120.014 120.400 0.231 0.000 2.340 1110 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 1110 D C 1.395 177.782 176.300 0.146 0.000 1.081 1110 D CA 0.180 54.284 54.000 0.173 0.000 0.842 1110 D CB -0.067 40.796 40.800 0.105 0.000 0.934 1110 D HN 0.120 nan 8.370 nan 0.000 0.511 1111 G N 0.464 109.399 108.800 0.225 0.000 2.563 1111 G HA2 0.373 4.333 3.960 -0.000 0.000 0.283 1111 G HA3 0.373 4.333 3.960 -0.000 0.000 0.283 1111 G C 0.213 174.885 174.900 -0.381 0.000 1.309 1111 G CA -0.313 44.791 45.100 0.008 0.000 1.022 1111 G HN 0.175 nan 8.290 nan 0.000 0.501 1112 S N -1.394 113.922 115.700 -0.638 0.000 2.681 1112 S HA 0.225 4.695 4.470 -0.000 0.000 0.299 1112 S C 0.987 174.853 174.600 -1.224 0.000 1.113 1112 S CA -0.605 57.154 58.200 -0.735 0.000 1.013 1112 S CB 1.470 64.478 63.200 -0.320 0.000 1.076 1112 S HN 0.800 nan 8.310 nan 0.000 0.534 1113 W N 1.747 122.460 121.300 -0.979 0.000 2.290 1113 W HA -0.281 4.379 4.660 -0.000 0.000 0.323 1113 W C 1.130 177.499 176.519 -0.250 0.000 1.260 1113 W CA 2.586 59.646 57.345 -0.475 0.000 1.266 1113 W CB -0.578 28.788 29.460 -0.156 0.000 1.149 1113 W HN 0.877 nan 8.180 nan 0.000 0.482 1114 E N 0.647 120.750 120.200 -0.162 0.000 2.085 1114 E HA -0.222 4.127 4.350 -0.000 0.000 0.194 1114 E C 1.654 178.123 176.600 -0.219 0.000 0.994 1114 E CA 2.091 58.390 56.400 -0.169 0.000 0.801 1114 E CB -0.723 28.951 29.700 -0.044 0.000 0.743 1114 E HN 0.218 nan 8.360 nan 0.000 0.453 1115 D N -0.633 119.611 120.400 -0.259 0.000 2.117 1115 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 1115 D C 1.630 177.900 176.300 -0.050 0.000 0.987 1115 D CA 0.808 54.710 54.000 -0.164 0.000 0.829 1115 D CB -0.267 40.421 40.800 -0.187 0.000 0.961 1115 D HN 0.292 nan 8.370 nan 0.000 0.460 1116 W N 1.086 122.311 121.300 -0.125 0.000 2.381 1116 W HA -0.043 4.617 4.660 -0.001 0.000 0.301 1116 W C 2.346 178.668 176.519 -0.329 0.000 1.205 1116 W CA 0.066 57.321 57.345 -0.149 0.000 1.285 1116 W CB -1.322 28.071 29.460 -0.111 0.000 1.133 1116 W HN -0.131 nan 8.180 nan 0.000 0.521 1117 V N 0.750 120.512 119.914 -0.253 0.000 2.295 1117 V HA -0.334 3.785 4.120 -0.000 0.000 0.246 1117 V C 2.293 178.258 176.094 -0.215 0.000 1.049 1117 V CA 2.271 64.358 62.300 -0.354 0.000 1.024 1117 V CB -0.939 30.584 31.823 -0.499 0.000 0.648 1117 V HN 0.049 nan 8.190 nan 0.000 0.447 1118 M N 0.805 120.315 119.600 -0.150 0.000 2.117 1118 M HA -0.061 4.418 4.480 -0.000 0.000 0.262 1118 M C 2.029 178.288 176.300 -0.068 0.000 1.065 1118 M CA 2.128 57.392 55.300 -0.061 0.000 1.114 1118 M CB -0.765 31.808 32.600 -0.045 0.000 1.361 1118 M HN 0.254 nan 8.290 nan 0.000 0.408 1119 A N -0.267 122.471 122.820 -0.137 0.000 1.902 1119 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 1119 A C 2.378 179.579 177.584 -0.637 0.000 1.181 1119 A CA 2.068 53.982 52.037 -0.205 0.000 0.623 1119 A CB -1.434 17.559 19.000 -0.011 0.000 0.818 1119 A HN 0.639 nan 8.150 nan 0.000 0.443 1120 A N -1.286 120.932 122.820 -1.002 0.000 1.877 1120 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 1120 A C 2.155 179.449 177.584 -0.482 0.000 1.186 1120 A CA 1.719 53.021 52.037 -1.225 0.000 0.620 1120 A CB -0.927 17.587 19.000 -0.809 0.000 0.822 1120 A HN 0.791 nan 8.150 nan 0.000 0.443 1121 Y N 0.618 120.711 120.300 -0.346 0.000 2.128 1121 Y HA -0.265 4.285 4.550 -0.001 0.000 0.284 1121 Y C 2.377 178.191 175.900 -0.145 0.000 1.154 1121 Y CA 2.437 60.422 58.100 -0.192 0.000 1.149 1121 Y CB -0.434 37.941 38.460 -0.141 0.000 0.976 1121 Y HN 0.434 nan 8.280 nan 0.000 0.505 1122 Q N -0.898 118.747 119.800 -0.257 0.000 2.369 1122 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 1122 Q C 0.980 176.854 176.000 -0.211 0.000 0.963 1122 Q CA 1.175 56.826 55.803 -0.253 0.000 0.894 1122 Q CB -0.010 28.699 28.738 -0.048 0.000 0.965 1122 Q HN 0.441 nan 8.270 nan 0.000 0.475 1123 D N -0.003 120.284 120.400 -0.187 0.000 2.328 1123 D HA 0.039 4.678 4.640 -0.000 0.000 0.221 1123 D C -0.518 175.731 176.300 -0.085 0.000 1.072 1123 D CA -0.025 53.943 54.000 -0.053 0.000 0.850 1123 D CB 0.165 41.068 40.800 0.172 0.000 0.922 1123 D HN 0.014 nan 8.370 nan 0.000 0.516 1124 R N -0.805 119.566 120.500 -0.216 0.000 3.336 1124 R HA -0.126 4.214 4.340 -0.000 0.000 0.260 1124 R C -0.907 175.340 176.300 -0.089 0.000 1.032 1124 R CA 0.058 56.042 56.100 -0.192 0.000 0.693 1124 R CB -2.239 27.974 30.300 -0.145 0.000 1.134 1124 R HN 0.032 nan 8.270 nan 0.000 0.433 1125 V N 0.848 120.713 119.914 -0.082 0.000 2.427 1125 V HA 0.206 4.326 4.120 -0.000 0.000 0.286 1125 V C 0.872 176.951 176.094 -0.025 0.000 1.034 1125 V CA -0.297 61.995 62.300 -0.012 0.000 0.893 1125 V CB 1.844 33.699 31.823 0.054 0.000 0.982 1125 V HN 0.351 nan 8.190 nan 0.000 0.452 1126 S N 4.646 120.347 115.700 0.002 0.000 2.533 1126 S HA 0.307 4.776 4.470 -0.000 0.000 0.282 1126 S C 0.371 174.981 174.600 0.016 0.000 1.304 1126 S CA -0.330 57.877 58.200 0.011 0.000 1.063 1126 S CB 0.117 63.327 63.200 0.018 0.000 0.881 1126 S HN 0.589 nan 8.310 nan 0.000 0.493 1127 L N 4.186 125.418 121.223 0.014 0.000 2.928 1127 L HA 0.343 4.682 4.340 -0.000 0.000 0.246 1127 L C 0.463 177.350 176.870 0.028 0.000 1.239 1127 L CA -0.196 54.648 54.840 0.006 0.000 1.035 1127 L CB 0.426 42.470 42.059 -0.024 0.000 1.360 1127 L HN 0.514 nan 8.230 nan 0.000 0.529 1128 S N -0.513 115.222 115.700 0.059 0.000 2.532 1128 S HA 0.709 5.178 4.470 -0.000 0.000 0.299 1128 S C -0.600 174.058 174.600 0.098 0.000 1.105 1128 S CA -0.284 58.001 58.200 0.142 0.000 1.018 1128 S CB 1.924 65.235 63.200 0.185 0.000 1.021 1128 S HN 0.105 nan 8.310 nan 0.000 0.483 1129 T N 2.027 116.630 114.554 0.081 0.000 2.889 1129 T HA 0.641 4.990 4.350 -0.000 0.000 0.315 1129 T C -0.519 174.208 174.700 0.045 0.000 1.291 1129 T CA -0.382 61.752 62.100 0.057 0.000 1.028 1129 T CB 1.446 70.343 68.868 0.049 0.000 1.235 1129 T HN 0.830 nan 8.240 nan 0.000 0.491 1130 T N 0.536 115.124 114.554 0.057 0.000 2.902 1130 T HA 0.793 5.143 4.350 -0.000 0.000 0.280 1130 T C 0.440 175.200 174.700 0.101 0.000 0.992 1130 T CA -0.468 61.678 62.100 0.076 0.000 1.015 1130 T CB 1.311 70.227 68.868 0.080 0.000 1.044 1130 T HN 0.914 nan 8.240 nan 0.000 0.520 1131 G N -0.114 108.775 108.800 0.149 0.000 2.612 1131 G HA2 0.655 4.615 3.960 -0.000 0.000 0.298 1131 G HA3 0.655 4.615 3.960 -0.000 0.000 0.298 1131 G C -2.128 172.954 174.900 0.302 0.000 1.336 1131 G CA -0.813 44.396 45.100 0.181 0.000 0.953 1131 G HN 0.698 nan 8.290 nan 0.000 0.482 1132 F N 0.577 120.590 119.950 0.105 0.000 2.619 1132 F HA 0.710 5.237 4.527 -0.000 0.000 0.308 1132 F C -1.924 173.976 175.800 0.167 0.000 1.097 1132 F CA -1.134 56.933 58.000 0.113 0.000 0.953 1132 F CB 2.409 41.449 39.000 0.068 0.000 1.287 1132 F HN 0.558 nan 8.300 nan 0.000 0.446 1133 Y N 4.892 124.843 120.300 -0.583 0.000 2.470 1133 Y HA 0.596 5.145 4.550 -0.001 0.000 0.341 1133 Y C -1.486 174.091 175.900 -0.539 0.000 1.021 1133 Y CA -1.023 56.849 58.100 -0.381 0.000 1.025 1133 Y CB 1.437 39.728 38.460 -0.280 0.000 1.266 1133 Y HN 0.700 nan 8.280 nan 0.000 0.448 1134 R N 4.218 124.173 120.500 -0.909 0.000 2.451 1134 R HA 0.431 4.770 4.340 -0.000 0.000 0.307 1134 R C -1.234 174.475 176.300 -0.986 0.000 0.965 1134 R CA -0.475 55.211 56.100 -0.690 0.000 0.865 1134 R CB 1.188 31.345 30.300 -0.238 0.000 1.174 1134 R HN 0.810 nan 8.270 nan 0.000 0.455 1135 T N 7.235 121.302 114.554 -0.812 0.000 2.829 1135 T HA 0.136 4.486 4.350 -0.000 0.000 0.293 1135 T C -2.069 172.406 174.700 -0.375 0.000 0.970 1135 T CA -0.585 61.133 62.100 -0.636 0.000 1.168 1135 T CB 0.701 69.354 68.868 -0.359 0.000 0.911 1135 T HN 0.482 nan 8.240 nan 0.000 0.535 1136 P HA 0.233 nan 4.420 nan 0.000 0.276 1136 P C -0.186 177.108 177.300 -0.009 0.000 1.244 1136 P CA -0.563 62.476 63.100 -0.102 0.000 0.801 1136 P CB 0.465 32.153 31.700 -0.020 0.000 1.006 1137 N N -0.659 118.041 118.700 0.001 0.000 2.740 1137 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 1137 N C -0.721 174.802 175.510 0.022 0.000 1.062 1137 N CA 0.825 53.890 53.050 0.025 0.000 0.704 1137 N CB -1.858 36.662 38.487 0.055 0.000 0.968 1137 N HN 0.468 nan 8.380 nan 0.000 0.547 1138 L N -0.394 120.823 121.223 -0.011 0.000 2.317 1138 L HA 0.725 5.064 4.340 -0.000 0.000 0.281 1138 L C 0.969 177.822 176.870 -0.028 0.000 1.024 1138 L CA -0.541 54.278 54.840 -0.034 0.000 0.810 1138 L CB 1.991 44.013 42.059 -0.062 0.000 1.240 1138 L HN 0.267 nan 8.230 nan 0.000 0.427 1139 G N 1.966 110.749 108.800 -0.029 0.000 3.405 1139 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.237 1139 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.237 1139 G C -1.430 173.475 174.900 0.009 0.000 3.921 1139 G CA -0.691 44.407 45.100 -0.004 0.000 0.434 1139 G HN 0.400 nan 8.290 nan 0.000 0.286 1140 Y N 1.997 122.225 120.300 -0.119 0.000 2.359 1140 Y HA 0.648 5.198 4.550 -0.001 0.000 0.330 1140 Y C 0.407 176.279 175.900 -0.046 0.000 1.143 1140 Y CA 0.085 58.109 58.100 -0.128 0.000 1.318 1140 Y CB 1.663 39.967 38.460 -0.261 0.000 1.234 1140 Y HN 0.396 nan 8.280 nan 0.000 0.522 1141 S N 5.733 120.918 115.700 -0.858 0.000 2.498 1141 S HA 0.323 4.793 4.470 -0.000 0.000 0.317 1141 S C 0.264 174.308 174.600 -0.927 0.000 1.090 1141 S CA -0.684 57.163 58.200 -0.589 0.000 1.089 1141 S CB 0.103 63.132 63.200 -0.285 0.000 0.997 1141 S HN 0.725 nan 8.310 nan 0.000 0.470 1142 F N 2.604 122.315 119.950 -0.398 0.000 2.407 1142 F HA 0.037 4.564 4.527 -0.001 0.000 0.299 1142 F C 2.314 178.058 175.800 -0.093 0.000 1.097 1142 F CA 1.105 59.027 58.000 -0.130 0.000 1.422 1142 F CB 0.153 39.190 39.000 0.061 0.000 1.067 1142 F HN 0.766 nan 8.300 nan 0.000 0.539 1143 E N -0.695 119.532 120.200 0.045 0.000 2.479 1143 E HA -0.015 4.334 4.350 -0.000 0.000 0.193 1143 E C 1.133 177.719 176.600 -0.024 0.000 1.049 1143 E CA 1.179 57.596 56.400 0.028 0.000 0.870 1143 E CB -0.378 29.343 29.700 0.034 0.000 0.944 1143 E HN 0.417 nan 8.360 nan 0.000 0.492 1144 T N -2.798 111.699 114.554 -0.095 0.000 3.041 1144 T HA 0.047 4.396 4.350 -0.000 0.000 0.276 1144 T C 0.562 175.206 174.700 -0.094 0.000 0.948 1144 T CA 0.008 62.057 62.100 -0.085 0.000 0.885 1144 T CB -0.189 68.624 68.868 -0.092 0.000 1.175 1144 T HN 0.081 nan 8.240 nan 0.000 0.529 1145 N N 2.041 120.641 118.700 -0.166 0.000 2.705 1145 N HA -0.181 4.559 4.740 -0.000 0.000 0.255 1145 N C -0.433 175.081 175.510 0.007 0.000 1.008 1145 N CA 0.944 53.959 53.050 -0.059 0.000 0.742 1145 N CB -1.366 37.179 38.487 0.097 0.000 0.906 1145 N HN 1.024 nan 8.380 nan 0.000 0.541 1146 S N -1.590 114.018 115.700 -0.154 0.000 2.615 1146 S HA 0.861 5.331 4.470 -0.000 0.000 0.269 1146 S C 0.044 174.617 174.600 -0.044 0.000 1.161 1146 S CA -0.040 58.149 58.200 -0.019 0.000 0.817 1146 S CB 1.655 64.834 63.200 -0.035 0.000 1.131 1146 S HN 1.496 nan 8.310 nan 0.000 0.467 1147 G N 1.297 110.119 108.800 0.036 0.000 2.895 1147 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.686 1147 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.686 1147 G C -1.149 173.815 174.900 0.107 0.000 1.108 1147 G CA -1.019 44.103 45.100 0.037 0.000 0.761 1147 G HN 0.887 nan 8.290 nan 0.000 0.611 1148 N N 0.581 119.306 118.700 0.042 0.000 2.440 1148 N HA 0.340 5.080 4.740 -0.000 0.000 0.265 1148 N C 1.362 176.788 175.510 -0.141 0.000 1.239 1148 N CA 0.664 53.713 53.050 -0.001 0.000 0.909 1148 N CB 1.468 39.957 38.487 0.003 0.000 1.066 1148 N HN 1.052 nan 8.380 nan 0.000 0.474 1149 A N 2.980 125.564 122.820 -0.394 0.000 1.975 1149 A HA 0.161 4.481 4.320 -0.000 0.000 0.215 1149 A C 0.167 177.008 177.584 -1.237 0.000 1.170 1149 A CA 0.794 52.188 52.037 -1.072 0.000 0.656 1149 A CB 0.098 17.712 19.000 -2.310 0.000 0.821 1149 A HN 0.571 nan 8.150 nan 0.000 0.449 1150 F N -3.933 115.787 119.950 -0.385 0.000 2.620 1150 F HA 0.473 5.000 4.527 -0.001 0.000 0.320 1150 F C 1.014 176.648 175.800 -0.276 0.000 1.069 1150 F CA -0.771 56.954 58.000 -0.459 0.000 0.953 1150 F CB 1.152 39.644 39.000 -0.846 0.000 1.322 1150 F HN 0.088 nan 8.300 nan 0.000 0.479 1151 H N 0.262 119.239 119.070 -0.156 0.000 2.415 1151 H HA 0.103 4.659 4.556 -0.000 0.000 0.297 1151 H C -0.869 174.506 175.328 0.078 0.000 1.048 1151 H CA 1.609 57.641 56.048 -0.026 0.000 1.365 1151 H CB 0.257 30.054 29.762 0.059 0.000 1.421 1151 H HN 0.521 nan 8.280 nan 0.000 0.533 1152 Y N -4.338 115.836 120.300 -0.210 0.000 2.895 1152 Y HA 0.428 4.978 4.550 -0.001 0.000 0.339 1152 Y C -1.866 173.735 175.900 -0.498 0.000 1.363 1152 Y CA -1.996 55.969 58.100 -0.224 0.000 1.085 1152 Y CB 0.577 38.973 38.460 -0.107 0.000 1.500 1152 Y HN -0.205 nan 8.280 nan 0.000 0.442 1153 F N 0.208 120.141 119.950 -0.029 0.000 2.563 1153 F HA 0.706 5.233 4.527 -0.000 0.000 0.316 1153 F C -0.132 175.399 175.800 -0.448 0.000 1.076 1153 F CA -0.905 56.868 58.000 -0.377 0.000 0.921 1153 F CB 2.561 41.270 39.000 -0.486 0.000 1.209 1153 F HN 0.482 nan 8.300 nan 0.000 0.462 1154 T N 1.797 116.218 114.554 -0.220 0.000 2.875 1154 T HA 0.549 4.898 4.350 -0.000 0.000 0.284 1154 T C -1.204 173.336 174.700 -0.267 0.000 0.995 1154 T CA -0.406 61.614 62.100 -0.134 0.000 1.060 1154 T CB 0.543 69.443 68.868 0.054 0.000 0.967 1154 T HN 0.327 nan 8.240 nan 0.000 0.476 1155 Y N 0.012 120.406 120.300 0.157 0.000 2.570 1155 Y HA 0.728 5.277 4.550 -0.000 0.000 0.345 1155 Y C 0.628 176.578 175.900 0.082 0.000 1.014 1155 Y CA -0.913 57.244 58.100 0.095 0.000 1.063 1155 Y CB 2.666 41.112 38.460 -0.023 0.000 1.272 1155 Y HN 0.924 nan 8.280 nan 0.000 0.477 1156 G N 0.030 108.987 108.800 0.261 0.000 2.576 1156 G HA2 0.574 4.533 3.960 -0.000 0.000 0.290 1156 G HA3 0.574 4.533 3.960 -0.000 0.000 0.290 1156 G C -2.433 172.582 174.900 0.191 0.000 1.442 1156 G CA -0.711 44.500 45.100 0.186 0.000 0.792 1156 G HN 0.479 nan 8.290 nan 0.000 0.491 1157 V N -0.292 119.712 119.914 0.150 0.000 2.808 1157 V HA 0.859 4.979 4.120 -0.000 0.000 0.308 1157 V C -0.063 176.075 176.094 0.073 0.000 1.099 1157 V CA -0.302 62.087 62.300 0.149 0.000 0.920 1157 V CB 1.646 33.566 31.823 0.162 0.000 1.014 1157 V HN 1.682 nan 8.190 nan 0.000 0.425 1158 A N 2.623 125.484 122.820 0.069 0.000 2.393 1158 A HA 0.790 5.110 4.320 -0.000 0.000 0.306 1158 A C -0.907 176.676 177.584 -0.000 0.000 1.050 1158 A CA -0.476 51.586 52.037 0.041 0.000 0.724 1158 A CB 1.695 20.779 19.000 0.141 0.000 1.248 1158 A HN 1.103 nan 8.150 nan 0.000 0.424 1159 C N 2.148 121.430 119.300 -0.030 0.000 2.340 1159 C HA 0.837 5.296 4.460 -0.000 0.000 0.323 1159 C C -0.129 174.875 174.990 0.022 0.000 1.260 1159 C CA -0.111 58.895 59.018 -0.022 0.000 1.464 1159 C CB -0.010 27.692 27.740 -0.063 0.000 2.156 1159 C HN 0.834 nan 8.230 nan 0.000 0.476 1160 S N 3.734 119.470 115.700 0.060 0.000 2.542 1160 S HA 0.598 5.067 4.470 -0.000 0.000 0.293 1160 S C -1.183 173.438 174.600 0.034 0.000 1.089 1160 S CA -0.485 57.751 58.200 0.060 0.000 0.961 1160 S CB 1.730 65.006 63.200 0.127 0.000 1.062 1160 S HN 0.880 nan 8.310 nan 0.000 0.483 1161 E N 1.643 121.846 120.200 0.005 0.000 2.222 1161 E HA 0.646 4.996 4.350 -0.000 0.000 0.267 1161 E C -1.153 175.431 176.600 -0.027 0.000 0.884 1161 E CA -0.813 55.570 56.400 -0.028 0.000 0.764 1161 E CB 1.363 31.027 29.700 -0.060 0.000 1.169 1161 E HN 0.511 nan 8.360 nan 0.000 0.413 1162 V N 0.574 120.465 119.914 -0.040 0.000 3.074 1162 V HA 0.664 4.783 4.120 -0.000 0.000 0.314 1162 V C -0.858 175.191 176.094 -0.075 0.000 1.117 1162 V CA -0.860 61.431 62.300 -0.015 0.000 1.014 1162 V CB 1.842 33.670 31.823 0.008 0.000 1.057 1162 V HN 0.822 nan 8.190 nan 0.000 0.438 1163 E N 2.100 122.273 120.200 -0.046 0.000 2.218 1163 E HA 0.618 4.967 4.350 -0.000 0.000 0.263 1163 E C -0.923 175.698 176.600 0.035 0.000 0.879 1163 E CA -0.892 55.457 56.400 -0.086 0.000 0.762 1163 E CB 1.910 31.511 29.700 -0.165 0.000 1.166 1163 E HN 0.926 nan 8.360 nan 0.000 0.415 1164 I N 0.730 121.331 120.570 0.051 0.000 2.498 1164 I HA 0.505 4.674 4.170 -0.000 0.000 0.301 1164 I C -0.272 175.914 176.117 0.116 0.000 0.984 1164 I CA -0.806 60.549 61.300 0.093 0.000 1.204 1164 I CB 1.582 39.613 38.000 0.052 0.000 1.362 1164 I HN 0.362 nan 8.210 nan 0.000 0.471 1165 D N 5.021 125.487 120.400 0.110 0.000 2.396 1165 D HA 0.236 4.876 4.640 -0.000 0.000 0.225 1165 D C 0.601 176.972 176.300 0.118 0.000 1.121 1165 D CA -0.428 53.641 54.000 0.115 0.000 0.853 1165 D CB 1.384 42.227 40.800 0.072 0.000 1.043 1165 D HN 0.753 nan 8.370 nan 0.000 0.500 1166 C N 3.384 122.791 119.300 0.179 0.000 2.437 1166 C HA -0.016 4.444 4.460 -0.000 0.000 0.283 1166 C C 2.515 177.609 174.990 0.174 0.000 1.424 1166 C CA 0.016 59.154 59.018 0.200 0.000 1.782 1166 C CB -0.860 27.060 27.740 0.300 0.000 1.833 1166 C HN 0.660 nan 8.230 nan 0.000 0.532 1167 L N 0.750 122.037 121.223 0.107 0.000 2.477 1167 L HA 0.008 4.348 4.340 -0.000 0.000 0.220 1167 L C 2.547 179.365 176.870 -0.086 0.000 1.106 1167 L CA 1.630 56.432 54.840 -0.064 0.000 0.851 1167 L CB -0.281 41.642 42.059 -0.227 0.000 0.994 1167 L HN 0.545 nan 8.230 nan 0.000 0.462 1168 T N -6.128 108.409 114.554 -0.028 0.000 2.954 1168 T HA 0.261 4.611 4.350 -0.000 0.000 0.252 1168 T C 1.457 176.155 174.700 -0.003 0.000 0.983 1168 T CA 0.609 62.689 62.100 -0.034 0.000 0.941 1168 T CB 1.055 69.902 68.868 -0.036 0.000 1.141 1168 T HN 0.256 nan 8.240 nan 0.000 0.500 1169 G N 1.406 110.221 108.800 0.024 0.000 2.199 1169 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.254 1169 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.254 1169 G C -0.134 174.803 174.900 0.062 0.000 0.982 1169 G CA 0.224 45.346 45.100 0.037 0.000 0.632 1169 G HN 0.740 nan 8.290 nan 0.000 0.529 1170 D N 1.188 121.620 120.400 0.052 0.000 2.360 1170 D HA 0.505 5.145 4.640 -0.000 0.000 0.242 1170 D C 0.665 177.039 176.300 0.124 0.000 1.184 1170 D CA 0.602 54.638 54.000 0.059 0.000 0.930 1170 D CB 0.336 41.136 40.800 -0.001 0.000 1.161 1170 D HN 0.657 nan 8.370 nan 0.000 0.447 1171 H N -1.316 117.738 119.070 -0.027 0.000 3.037 1171 H HA 0.435 4.991 4.556 -0.001 0.000 0.355 1171 H C -1.247 174.058 175.328 -0.038 0.000 1.263 1171 H CA -0.892 55.137 56.048 -0.031 0.000 1.129 1171 H CB 0.661 30.399 29.762 -0.041 0.000 1.861 1171 H HN 0.191 nan 8.280 nan 0.000 0.546 1172 K N 1.645 122.004 120.400 -0.069 0.000 2.206 1172 K HA 0.272 4.591 4.320 -0.000 0.000 0.264 1172 K C -0.610 175.985 176.600 -0.009 0.000 0.967 1172 K CA -0.967 55.250 56.287 -0.116 0.000 0.844 1172 K CB 1.219 33.681 32.500 -0.063 0.000 1.099 1172 K HN 0.420 nan 8.250 nan 0.000 0.441 1173 N N 3.994 122.660 118.700 -0.055 0.000 2.439 1173 N HA 0.093 4.833 4.740 -0.000 0.000 0.243 1173 N C 0.661 176.152 175.510 -0.032 0.000 1.088 1173 N CA 0.077 53.130 53.050 0.006 0.000 0.940 1173 N CB 0.718 39.198 38.487 -0.012 0.000 1.180 1173 N HN 0.465 nan 8.380 nan 0.000 0.505 1174 L N 1.244 122.449 121.223 -0.030 0.000 2.102 1174 L HA 0.135 4.475 4.340 -0.000 0.000 0.202 1174 L C 1.026 177.873 176.870 -0.038 0.000 1.076 1174 L CA 0.781 55.593 54.840 -0.046 0.000 0.761 1174 L CB 0.113 42.129 42.059 -0.072 0.000 0.921 1174 L HN 0.413 nan 8.230 nan 0.000 0.444 1175 R N -1.109 119.370 120.500 -0.035 0.000 2.604 1175 R HA 0.371 4.710 4.340 -0.000 0.000 0.261 1175 R C -1.709 174.573 176.300 -0.030 0.000 1.080 1175 R CA -0.327 55.757 56.100 -0.028 0.000 0.917 1175 R CB 2.022 32.307 30.300 -0.025 0.000 1.252 1175 R HN -0.229 nan 8.270 nan 0.000 0.456 1176 T N 2.591 117.123 114.554 -0.036 0.000 2.921 1176 T HA 0.342 4.692 4.350 -0.000 0.000 0.297 1176 T C -1.746 172.940 174.700 -0.024 0.000 1.013 1176 T CA -0.629 61.433 62.100 -0.065 0.000 0.990 1176 T CB 1.555 70.273 68.868 -0.251 0.000 1.023 1176 T HN 0.543 nan 8.240 nan 0.000 0.447 1177 D N 2.174 122.546 120.400 -0.046 0.000 2.391 1177 D HA 0.616 5.256 4.640 -0.000 0.000 0.245 1177 D C -0.533 175.725 176.300 -0.070 0.000 1.069 1177 D CA -0.314 53.657 54.000 -0.050 0.000 0.831 1177 D CB 1.454 42.223 40.800 -0.051 0.000 1.204 1177 D HN 0.361 nan 8.370 nan 0.000 0.503 1178 I N 1.734 122.259 120.570 -0.074 0.000 2.509 1178 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 1178 I C -0.839 175.255 176.117 -0.038 0.000 1.020 1178 I CA -1.103 60.164 61.300 -0.055 0.000 1.088 1178 I CB 2.110 40.067 38.000 -0.071 0.000 1.267 1178 I HN 0.016 nan 8.210 nan 0.000 0.430 1179 V N 6.298 126.206 119.914 -0.009 0.000 2.443 1179 V HA 0.463 4.583 4.120 -0.000 0.000 0.293 1179 V C -0.461 175.657 176.094 0.040 0.000 1.021 1179 V CA -0.437 61.865 62.300 0.004 0.000 0.848 1179 V CB 1.696 33.518 31.823 -0.002 0.000 0.998 1179 V HN 0.647 nan 8.190 nan 0.000 0.424 1180 M N 4.124 123.748 119.600 0.040 0.000 2.321 1180 M HA 0.526 5.006 4.480 -0.000 0.000 0.315 1180 M C -0.880 175.464 176.300 0.073 0.000 1.052 1180 M CA -0.419 54.923 55.300 0.069 0.000 0.936 1180 M CB 1.711 34.345 32.600 0.058 0.000 1.639 1180 M HN 0.659 nan 8.290 nan 0.000 0.433 1181 D N 3.727 124.194 120.400 0.112 0.000 2.380 1181 D HA 0.306 4.946 4.640 -0.000 0.000 0.230 1181 D C 0.025 176.393 176.300 0.114 0.000 1.154 1181 D CA -0.286 53.786 54.000 0.120 0.000 0.859 1181 D CB 0.724 41.638 40.800 0.189 0.000 1.045 1181 D HN 0.428 nan 8.370 nan 0.000 0.495 1182 V N 2.130 122.089 119.914 0.076 0.000 3.043 1182 V HA 0.604 4.723 4.120 -0.000 0.000 0.357 1182 V C 1.167 177.287 176.094 0.044 0.000 1.372 1182 V CA 0.192 62.532 62.300 0.067 0.000 1.214 1182 V CB -0.382 31.471 31.823 0.050 0.000 1.224 1182 V HN 0.680 nan 8.190 nan 0.000 0.507 1183 G N 1.536 110.359 108.800 0.039 0.000 2.574 1183 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.282 1183 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.282 1183 G C 0.064 174.967 174.900 0.004 0.000 1.257 1183 G CA 0.103 45.205 45.100 0.004 0.000 0.956 1183 G HN 1.013 nan 8.290 nan 0.000 0.560 1184 S N 0.323 116.020 115.700 -0.006 0.000 2.400 1184 S HA 0.524 4.994 4.470 -0.000 0.000 0.295 1184 S C 0.529 175.132 174.600 0.005 0.000 1.113 1184 S CA 0.581 58.781 58.200 -0.000 0.000 1.064 1184 S CB 1.239 64.439 63.200 -0.001 0.000 0.990 1184 S HN 1.181 nan 8.310 nan 0.000 0.502 1185 S N 3.283 118.986 115.700 0.004 0.000 2.549 1185 S HA 0.149 4.618 4.470 -0.000 0.000 0.286 1185 S C 1.307 175.909 174.600 0.004 0.000 1.314 1185 S CA -0.587 57.617 58.200 0.007 0.000 1.062 1185 S CB 0.067 63.269 63.200 0.004 0.000 0.865 1185 S HN 0.662 nan 8.310 nan 0.000 0.498 1186 L N 3.318 124.548 121.223 0.012 0.000 2.217 1186 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 1186 L C 1.083 177.948 176.870 -0.007 0.000 1.107 1186 L CA 0.506 55.351 54.840 0.009 0.000 0.783 1186 L CB -0.254 41.822 42.059 0.030 0.000 0.919 1186 L HN 0.628 nan 8.230 nan 0.000 0.442 1187 N N -0.805 117.893 118.700 -0.003 0.000 2.747 1187 N HA 0.113 4.853 4.740 -0.000 0.000 0.262 1187 N C -2.309 173.199 175.510 -0.002 0.000 1.261 1187 N CA -1.058 51.988 53.050 -0.006 0.000 0.809 1187 N CB 1.514 39.998 38.487 -0.005 0.000 1.450 1187 N HN -0.272 nan 8.380 nan 0.000 0.560 1188 P HA -0.077 nan 4.420 nan 0.000 0.219 1188 P C 1.068 178.363 177.300 -0.008 0.000 1.146 1188 P CA 0.945 64.041 63.100 -0.008 0.000 0.808 1188 P CB 0.399 32.092 31.700 -0.013 0.000 0.779 1189 A N 0.134 122.952 122.820 -0.004 0.000 1.855 1189 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 1189 A C 2.343 179.933 177.584 0.010 0.000 1.191 1189 A CA 1.303 53.340 52.037 -0.000 0.000 0.613 1189 A CB -1.520 17.485 19.000 0.009 0.000 0.829 1189 A HN 0.095 nan 8.150 nan 0.000 0.442 1190 I N 0.006 120.587 120.570 0.019 0.000 2.226 1190 I HA -0.250 3.919 4.170 -0.000 0.000 0.245 1190 I C 1.800 177.933 176.117 0.027 0.000 1.100 1190 I CA 1.532 62.852 61.300 0.032 0.000 1.374 1190 I CB -0.420 37.596 38.000 0.026 0.000 1.057 1190 I HN 0.261 nan 8.210 nan 0.000 0.413 1191 D N 0.830 121.239 120.400 0.015 0.000 2.117 1191 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 1191 D C 2.245 178.549 176.300 0.007 0.000 0.982 1191 D CA 1.249 55.259 54.000 0.016 0.000 0.828 1191 D CB -0.170 40.638 40.800 0.014 0.000 0.967 1191 D HN 0.311 nan 8.370 nan 0.000 0.464 1192 I N 0.968 121.531 120.570 -0.012 0.000 2.286 1192 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 1192 I C 2.488 178.581 176.117 -0.039 0.000 1.115 1192 I CA 1.287 62.561 61.300 -0.042 0.000 1.392 1192 I CB -0.358 37.601 38.000 -0.068 0.000 1.065 1192 I HN 0.021 nan 8.210 nan 0.000 0.418 1193 G N -0.140 108.654 108.800 -0.011 0.000 2.442 1193 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 1193 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 1193 G C 1.600 176.529 174.900 0.049 0.000 1.141 1193 G CA 0.409 45.518 45.100 0.015 0.000 0.763 1193 G HN 0.286 nan 8.290 nan 0.000 0.554 1194 Q N 0.098 119.930 119.800 0.053 0.000 2.083 1194 Q HA -0.013 4.326 4.340 -0.000 0.000 0.198 1194 Q C 3.019 179.070 176.000 0.085 0.000 0.969 1194 Q CA 0.896 56.745 55.803 0.077 0.000 0.838 1194 Q CB -0.673 28.102 28.738 0.060 0.000 0.900 1194 Q HN 0.407 nan 8.270 nan 0.000 0.436 1195 V N 1.621 121.571 119.914 0.059 0.000 2.255 1195 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 1195 V C 2.166 178.340 176.094 0.132 0.000 1.051 1195 V CA 2.042 64.388 62.300 0.077 0.000 1.018 1195 V CB -0.555 31.283 31.823 0.025 0.000 0.641 1195 V HN 0.392 nan 8.190 nan 0.000 0.445 1196 E N 0.261 120.496 120.200 0.058 0.000 2.051 1196 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 1196 E C 2.335 179.102 176.600 0.278 0.000 0.991 1196 E CA 1.322 57.797 56.400 0.125 0.000 0.799 1196 E CB -0.547 29.088 29.700 -0.109 0.000 0.748 1196 E HN 0.646 nan 8.360 nan 0.000 0.449 1197 G N 1.104 110.011 108.800 0.177 0.000 2.402 1197 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 1197 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 1197 G C 1.695 176.695 174.900 0.166 0.000 1.162 1197 G CA 0.862 46.063 45.100 0.169 0.000 0.777 1197 G HN 0.342 nan 8.290 nan 0.000 0.539 1198 A N 0.606 123.532 122.820 0.176 0.000 1.877 1198 A HA 0.038 4.357 4.320 -0.000 0.000 0.216 1198 A C 2.187 179.861 177.584 0.149 0.000 1.186 1198 A CA 1.632 53.755 52.037 0.144 0.000 0.620 1198 A CB -0.677 18.396 19.000 0.122 0.000 0.822 1198 A HN 0.440 nan 8.150 nan 0.000 0.443 1199 F N 0.816 120.823 119.950 0.095 0.000 2.120 1199 F HA -0.200 4.326 4.527 -0.001 0.000 0.300 1199 F C 2.158 177.990 175.800 0.053 0.000 1.095 1199 F CA 2.176 60.237 58.000 0.101 0.000 1.249 1199 F CB -0.242 38.872 39.000 0.190 0.000 0.995 1199 F HN 0.032 nan 8.300 nan 0.000 0.480 1200 V N 0.323 120.350 119.914 0.189 0.000 2.427 1200 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 1200 V C 2.308 178.317 176.094 -0.141 0.000 1.051 1200 V CA 2.124 64.425 62.300 0.002 0.000 1.048 1200 V CB -0.759 31.133 31.823 0.115 0.000 0.666 1200 V HN 0.418 nan 8.190 nan 0.000 0.456 1201 Q N -0.117 119.620 119.800 -0.105 0.000 2.124 1201 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 1201 Q C 2.351 178.192 176.000 -0.264 0.000 0.977 1201 Q CA 1.612 57.317 55.803 -0.163 0.000 0.850 1201 Q CB -0.428 28.248 28.738 -0.104 0.000 0.901 1201 Q HN 0.737 nan 8.270 nan 0.000 0.429 1202 G N 1.196 109.837 108.800 -0.265 0.000 2.404 1202 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 1202 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 1202 G C 1.399 176.117 174.900 -0.303 0.000 1.174 1202 G CA 0.789 45.700 45.100 -0.315 0.000 0.780 1202 G HN 0.347 nan 8.290 nan 0.000 0.537 1203 L N 1.929 122.910 121.223 -0.402 0.000 2.081 1203 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 1203 L C 2.450 179.193 176.870 -0.211 0.000 1.080 1203 L CA 2.534 57.186 54.840 -0.313 0.000 0.754 1203 L CB -1.354 40.434 42.059 -0.452 0.000 0.893 1203 L HN 0.126 nan 8.230 nan 0.000 0.433 1204 G N -0.014 108.632 108.800 -0.257 0.000 2.421 1204 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.216 1204 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.216 1204 G C 1.595 176.311 174.900 -0.307 0.000 1.171 1204 G CA 0.947 45.893 45.100 -0.256 0.000 0.775 1204 G HN 0.491 nan 8.290 nan 0.000 0.543 1205 L N -0.248 120.705 121.223 -0.449 0.000 2.012 1205 L HA 0.070 4.410 4.340 -0.000 0.000 0.210 1205 L C 2.371 178.883 176.870 -0.597 0.000 1.073 1205 L CA 1.755 56.213 54.840 -0.637 0.000 0.748 1205 L CB -0.577 40.867 42.059 -1.026 0.000 0.891 1205 L HN 0.264 nan 8.230 nan 0.000 0.431 1206 F N -1.457 118.325 119.950 -0.281 0.000 2.698 1206 F HA 0.050 4.577 4.527 -0.000 0.000 0.295 1206 F C 1.891 177.657 175.800 -0.057 0.000 1.124 1206 F CA 0.708 58.550 58.000 -0.264 0.000 1.426 1206 F CB -0.164 38.664 39.000 -0.288 0.000 1.120 1206 F HN 0.302 nan 8.300 nan 0.000 0.583 1207 T N -4.770 109.817 114.554 0.055 0.000 3.009 1207 T HA 0.210 4.560 4.350 -0.000 0.000 0.267 1207 T C 0.944 175.646 174.700 0.003 0.000 0.942 1207 T CA 0.127 62.258 62.100 0.052 0.000 0.883 1207 T CB 0.135 69.036 68.868 0.056 0.000 1.192 1207 T HN 0.060 nan 8.240 nan 0.000 0.524 1208 L N 0.450 121.624 121.223 -0.082 0.000 2.746 1208 L HA 0.559 4.899 4.340 -0.000 0.000 0.230 1208 L C 0.028 176.763 176.870 -0.224 0.000 1.034 1208 L CA 0.505 55.264 54.840 -0.135 0.000 0.922 1208 L CB 0.506 42.460 42.059 -0.175 0.000 1.496 1208 L HN 0.214 nan 8.230 nan 0.000 0.498 1209 E N 1.306 121.336 120.200 -0.283 0.000 2.167 1209 E HA 0.288 4.638 4.350 -0.000 0.000 0.284 1209 E C -0.422 176.089 176.600 -0.147 0.000 1.016 1209 E CA -0.007 56.128 56.400 -0.442 0.000 0.817 1209 E CB 0.978 30.407 29.700 -0.451 0.000 1.080 1209 E HN 0.057 nan 8.360 nan 0.000 0.397 1210 E N 4.613 124.783 120.200 -0.051 0.000 2.265 1210 E HA 0.223 4.573 4.350 -0.000 0.000 0.262 1210 E C -1.240 175.545 176.600 0.309 0.000 0.889 1210 E CA -0.496 55.991 56.400 0.145 0.000 0.789 1210 E CB 0.933 30.689 29.700 0.093 0.000 1.221 1210 E HN 0.426 nan 8.360 nan 0.000 0.414 1211 L N 3.776 125.188 121.223 0.316 0.000 2.312 1211 L HA 0.432 4.772 4.340 -0.000 0.000 0.281 1211 L C -0.204 176.761 176.870 0.159 0.000 1.070 1211 L CA -0.554 54.395 54.840 0.180 0.000 0.805 1211 L CB 0.933 43.048 42.059 0.094 0.000 1.174 1211 L HN 0.556 nan 8.230 nan 0.000 0.434 1212 H N 1.773 120.767 119.070 -0.127 0.000 2.679 1212 H HA 0.542 5.098 4.556 -0.000 0.000 0.360 1212 H C -1.584 173.616 175.328 -0.214 0.000 1.105 1212 H CA -0.431 55.612 56.048 -0.008 0.000 1.196 1212 H CB 1.369 31.199 29.762 0.113 0.000 1.636 1212 H HN 0.310 nan 8.280 nan 0.000 0.531 1213 Y N 1.287 121.367 120.300 -0.368 0.000 2.524 1213 Y HA 0.327 4.877 4.550 -0.001 0.000 0.344 1213 Y C 0.452 176.177 175.900 -0.293 0.000 1.012 1213 Y CA -0.826 57.105 58.100 -0.282 0.000 1.068 1213 Y CB 1.845 40.186 38.460 -0.198 0.000 1.249 1213 Y HN 0.724 nan 8.280 nan 0.000 0.468 1214 S N 1.243 116.812 115.700 -0.219 0.000 2.589 1214 S HA 0.155 4.625 4.470 -0.000 0.000 0.265 1214 S C -2.032 172.582 174.600 0.022 0.000 1.342 1214 S CA -0.873 57.321 58.200 -0.010 0.000 1.005 1214 S CB 0.985 64.125 63.200 -0.099 0.000 0.909 1214 S HN 0.486 nan 8.310 nan 0.000 0.555 1215 P HA -0.029 nan 4.420 nan 0.000 0.219 1215 P C 0.608 177.907 177.300 -0.002 0.000 1.146 1215 P CA 1.066 64.179 63.100 0.022 0.000 0.808 1215 P CB -0.073 31.650 31.700 0.038 0.000 0.779 1216 E N -1.347 118.853 120.200 0.000 0.000 2.511 1216 E HA 0.195 4.545 4.350 -0.000 0.000 0.196 1216 E C 1.357 177.942 176.600 -0.025 0.000 1.066 1216 E CA 0.739 57.130 56.400 -0.014 0.000 0.871 1216 E CB -0.881 28.811 29.700 -0.013 0.000 0.863 1216 E HN 0.179 nan 8.360 nan 0.000 0.520 1217 G N 0.568 109.354 108.800 -0.023 0.000 2.132 1217 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.228 1217 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.228 1217 G C 0.203 175.133 174.900 0.051 0.000 1.000 1217 G CA 0.326 45.415 45.100 -0.019 0.000 0.693 1217 G HN 0.275 nan 8.290 nan 0.000 0.515 1218 S N -0.212 115.489 115.700 0.001 0.000 2.438 1218 S HA 0.615 5.085 4.470 -0.000 0.000 0.293 1218 S C 0.438 174.953 174.600 -0.142 0.000 1.141 1218 S CA -0.656 57.521 58.200 -0.039 0.000 1.080 1218 S CB 0.819 63.963 63.200 -0.094 0.000 0.978 1218 S HN 1.214 nan 8.310 nan 0.000 0.479 1219 L N 6.673 127.863 121.223 -0.055 0.000 2.513 1219 L HA 0.205 4.545 4.340 -0.000 0.000 0.272 1219 L C 1.081 177.806 176.870 -0.242 0.000 1.187 1219 L CA 0.875 55.529 54.840 -0.311 0.000 0.895 1219 L CB 0.232 42.153 42.059 -0.229 0.000 1.147 1219 L HN 0.801 nan 8.230 nan 0.000 0.483 1220 H N 1.864 120.860 119.070 -0.122 0.000 2.451 1220 H HA 0.093 4.649 4.556 -0.000 0.000 0.294 1220 H C 0.306 175.633 175.328 -0.002 0.000 1.028 1220 H CA 1.080 57.125 56.048 -0.005 0.000 1.349 1220 H CB 0.031 29.845 29.762 0.086 0.000 1.444 1220 H HN 0.692 nan 8.280 nan 0.000 0.538 1221 T N 0.072 114.677 114.554 0.086 0.000 2.875 1221 T HA 0.403 4.753 4.350 -0.000 0.000 0.307 1221 T C 0.740 175.464 174.700 0.040 0.000 1.013 1221 T CA -0.613 61.545 62.100 0.097 0.000 0.970 1221 T CB 0.490 69.446 68.868 0.145 0.000 0.986 1221 T HN 0.180 nan 8.240 nan 0.000 0.536 1222 R N 1.827 122.372 120.500 0.074 0.000 2.629 1222 R HA 0.465 4.805 4.340 -0.000 0.000 0.386 1222 R C 0.677 177.035 176.300 0.097 0.000 1.071 1222 R CA -0.545 55.587 56.100 0.052 0.000 1.104 1222 R CB 1.180 31.508 30.300 0.047 0.000 1.370 1222 R HN 0.806 nan 8.270 nan 0.000 0.574 1223 G N 0.269 109.173 108.800 0.173 0.000 2.506 1223 G HA2 0.162 4.122 3.960 -0.000 0.000 0.292 1223 G HA3 0.162 4.122 3.960 -0.000 0.000 0.292 1223 G C -2.626 172.469 174.900 0.325 0.000 1.425 1223 G CA -0.758 44.487 45.100 0.241 0.000 0.788 1223 G HN -0.294 nan 8.290 nan 0.000 0.490 1224 P HA -0.044 nan 4.420 nan 0.000 0.230 1224 P C 1.776 179.136 177.300 0.099 0.000 1.158 1224 P CA 1.689 64.914 63.100 0.209 0.000 0.769 1224 P CB 0.213 32.041 31.700 0.213 0.000 0.807 1225 S N -0.521 115.244 115.700 0.108 0.000 2.428 1225 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 1225 S C 1.716 176.349 174.600 0.055 0.000 1.014 1225 S CA 1.640 59.878 58.200 0.062 0.000 0.957 1225 S CB -1.583 61.651 63.200 0.057 0.000 0.784 1225 S HN 0.316 nan 8.310 nan 0.000 0.499 1226 T N -3.515 111.097 114.554 0.097 0.000 3.003 1226 T HA 0.299 4.649 4.350 -0.000 0.000 0.261 1226 T C -0.247 174.541 174.700 0.147 0.000 1.003 1226 T CA -0.412 61.745 62.100 0.095 0.000 0.917 1226 T CB -0.276 68.653 68.868 0.103 0.000 1.084 1226 T HN 0.383 nan 8.240 nan 0.000 0.522 1227 Y N 2.410 122.721 120.300 0.018 0.000 2.326 1227 Y HA 0.558 5.108 4.550 -0.000 0.000 0.329 1227 Y C -1.229 174.616 175.900 -0.092 0.000 0.973 1227 Y CA -1.505 56.592 58.100 -0.004 0.000 1.162 1227 Y CB 1.198 39.697 38.460 0.065 0.000 1.147 1227 Y HN -0.199 nan 8.280 nan 0.000 0.456 1228 K N 8.697 128.787 120.400 -0.516 0.000 2.299 1228 K HA 0.308 4.628 4.320 -0.000 0.000 0.268 1228 K C -0.237 176.029 176.600 -0.557 0.000 1.075 1228 K CA -0.386 55.648 56.287 -0.422 0.000 0.936 1228 K CB 0.471 32.816 32.500 -0.258 0.000 1.228 1228 K HN 0.845 nan 8.250 nan 0.000 0.454 1229 I N -0.557 119.690 120.570 -0.538 0.000 2.764 1229 I HA 0.388 4.558 4.170 -0.000 0.000 0.294 1229 I C -2.054 173.885 176.117 -0.296 0.000 1.045 1229 I CA -2.375 58.663 61.300 -0.437 0.000 1.340 1229 I CB 0.175 37.902 38.000 -0.456 0.000 1.436 1229 I HN 0.179 nan 8.210 nan 0.000 0.567 1230 P HA 0.134 nan 4.420 nan 0.000 0.264 1230 P C -0.760 176.452 177.300 -0.146 0.000 1.183 1230 P CA 0.089 63.086 63.100 -0.172 0.000 0.763 1230 P CB 0.615 32.224 31.700 -0.151 0.000 0.807 1231 A N 2.214 124.974 122.820 -0.100 0.000 2.282 1231 A HA 0.481 4.800 4.320 -0.000 0.000 0.324 1231 A C 0.780 178.366 177.584 0.003 0.000 1.119 1231 A CA -0.528 51.492 52.037 -0.028 0.000 0.880 1231 A CB -0.052 18.956 19.000 0.013 0.000 1.294 1231 A HN 0.427 nan 8.150 nan 0.000 0.493 1232 F N 0.543 120.479 119.950 -0.023 0.000 2.115 1232 F HA -0.162 4.365 4.527 -0.001 0.000 0.300 1232 F C 2.510 178.301 175.800 -0.014 0.000 1.092 1232 F CA 2.605 60.603 58.000 -0.003 0.000 1.245 1232 F CB -0.337 38.664 39.000 0.001 0.000 0.995 1232 F HN 0.639 nan 8.300 nan 0.000 0.481 1233 G N -2.032 106.863 108.800 0.158 0.000 2.744 1233 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.211 1233 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.211 1233 G C 1.576 176.469 174.900 -0.013 0.000 1.143 1233 G CA 0.776 45.911 45.100 0.058 0.000 0.788 1233 G HN 0.339 nan 8.290 nan 0.000 0.534 1234 S N 0.090 115.770 115.700 -0.033 0.000 2.470 1234 S HA 0.144 4.614 4.470 -0.000 0.000 0.225 1234 S C 1.216 175.762 174.600 -0.090 0.000 1.006 1234 S CA -0.207 57.942 58.200 -0.085 0.000 0.934 1234 S CB -0.110 63.032 63.200 -0.098 0.000 0.778 1234 S HN 0.606 nan 8.310 nan 0.000 0.517 1235 I N 0.393 120.921 120.570 -0.070 0.000 2.882 1235 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 1235 I C -2.898 173.136 176.117 -0.138 0.000 1.139 1235 I CA -2.451 58.777 61.300 -0.120 0.000 1.379 1235 I CB -0.232 37.734 38.000 -0.057 0.000 1.410 1235 I HN -0.201 nan 8.210 nan 0.000 0.594 1236 P HA 0.042 nan 4.420 nan 0.000 0.265 1236 P C 0.413 177.676 177.300 -0.061 0.000 1.193 1236 P CA 0.111 63.107 63.100 -0.173 0.000 0.765 1236 P CB 0.603 32.128 31.700 -0.292 0.000 0.823 1237 T N 1.252 115.790 114.554 -0.026 0.000 2.720 1237 T HA -0.150 4.199 4.350 -0.000 0.000 0.268 1237 T C 0.331 175.055 174.700 0.040 0.000 1.037 1237 T CA 1.491 63.596 62.100 0.009 0.000 1.144 1237 T CB -0.275 68.590 68.868 -0.005 0.000 0.864 1237 T HN 0.522 nan 8.240 nan 0.000 0.444 1238 E N 0.194 120.415 120.200 0.034 0.000 2.129 1238 E HA 0.474 4.824 4.350 -0.000 0.000 0.268 1238 E C -1.444 175.229 176.600 0.121 0.000 0.900 1238 E CA -0.327 56.110 56.400 0.062 0.000 0.755 1238 E CB 1.402 31.117 29.700 0.026 0.000 1.117 1238 E HN 0.338 nan 8.360 nan 0.000 0.410 1239 F N 4.174 124.086 119.950 -0.062 0.000 2.646 1239 F HA 0.417 4.943 4.527 -0.000 0.000 0.364 1239 F C -0.678 175.057 175.800 -0.108 0.000 1.137 1239 F CA -0.893 57.045 58.000 -0.103 0.000 1.085 1239 F CB 0.623 39.574 39.000 -0.082 0.000 1.331 1239 F HN 0.267 nan 8.300 nan 0.000 0.472 1240 R N 5.076 125.619 120.500 0.071 0.000 2.387 1240 R HA 0.642 4.982 4.340 -0.000 0.000 0.314 1240 R C -1.436 174.779 176.300 -0.142 0.000 0.958 1240 R CA -0.919 55.135 56.100 -0.077 0.000 0.846 1240 R CB 2.708 32.985 30.300 -0.037 0.000 1.147 1240 R HN 0.300 nan 8.270 nan 0.000 0.447 1241 V N 2.043 121.834 119.914 -0.205 0.000 2.531 1241 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 1241 V C -0.431 175.596 176.094 -0.113 0.000 1.034 1241 V CA -0.640 61.553 62.300 -0.178 0.000 0.865 1241 V CB 2.076 33.747 31.823 -0.254 0.000 0.995 1241 V HN 0.761 nan 8.190 nan 0.000 0.424 1242 S N 5.120 120.776 115.700 -0.073 0.000 2.500 1242 S HA 0.707 5.177 4.470 -0.000 0.000 0.301 1242 S C -0.620 173.963 174.600 -0.028 0.000 1.092 1242 S CA -0.620 57.551 58.200 -0.048 0.000 1.030 1242 S CB 1.571 64.748 63.200 -0.038 0.000 1.031 1242 S HN 0.527 nan 8.310 nan 0.000 0.483 1243 L N 2.875 124.086 121.223 -0.020 0.000 2.292 1243 L HA 0.424 4.763 4.340 -0.000 0.000 0.284 1243 L C -0.157 176.715 176.870 0.003 0.000 1.065 1243 L CA -0.925 53.914 54.840 -0.003 0.000 0.806 1243 L CB 0.594 42.651 42.059 -0.003 0.000 1.175 1243 L HN 0.476 nan 8.230 nan 0.000 0.431 1244 L N 4.374 125.607 121.223 0.016 0.000 2.525 1244 L HA 0.077 4.417 4.340 -0.000 0.000 0.278 1244 L C 0.381 177.258 176.870 0.012 0.000 1.218 1244 L CA 0.757 55.608 54.840 0.017 0.000 0.878 1244 L CB 0.129 42.206 42.059 0.031 0.000 1.127 1244 L HN 0.507 nan 8.230 nan 0.000 0.492 1245 R N 3.624 124.128 120.500 0.007 0.000 2.536 1245 R HA 0.269 4.609 4.340 -0.000 0.000 0.279 1245 R C -0.389 175.915 176.300 0.006 0.000 1.001 1245 R CA -0.668 55.434 56.100 0.004 0.000 1.027 1245 R CB 0.636 30.936 30.300 0.000 0.000 1.096 1245 R HN 0.727 nan 8.270 nan 0.000 0.502 1246 D N 0.687 121.089 120.400 0.004 0.000 2.705 1246 D HA -0.137 4.503 4.640 -0.000 0.000 0.240 1246 D C -0.441 175.863 176.300 0.007 0.000 1.137 1246 D CA 0.997 55.000 54.000 0.004 0.000 0.677 1246 D CB -1.093 39.709 40.800 0.004 0.000 1.049 1246 D HN 0.702 nan 8.370 nan 0.000 0.427 1247 C N -1.418 117.887 119.300 0.008 0.000 3.359 1247 C HA 0.393 4.853 4.460 -0.000 0.000 0.194 1247 C C -2.155 172.837 174.990 0.004 0.000 1.659 1247 C CA -1.749 57.277 59.018 0.012 0.000 1.338 1247 C CB 0.314 28.070 27.740 0.026 0.000 2.109 1247 C HN 0.084 nan 8.230 nan 0.000 0.518 1248 P HA 0.124 nan 4.420 nan 0.000 0.268 1248 P C -0.552 176.721 177.300 -0.044 0.000 1.205 1248 P CA 0.613 63.700 63.100 -0.021 0.000 0.771 1248 P CB 0.773 32.464 31.700 -0.016 0.000 0.858 1249 N N 2.107 120.755 118.700 -0.087 0.000 2.527 1249 N HA 0.062 4.802 4.740 -0.000 0.000 0.236 1249 N C 0.959 176.367 175.510 -0.170 0.000 0.999 1249 N CA -0.332 52.619 53.050 -0.166 0.000 0.935 1249 N CB 0.467 38.770 38.487 -0.307 0.000 1.132 1249 N HN 0.275 nan 8.380 nan 0.000 0.511 1250 K N 2.424 122.749 120.400 -0.125 0.000 2.360 1250 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 1250 K C 0.650 177.183 176.600 -0.112 0.000 1.046 1250 K CA 1.044 57.273 56.287 -0.097 0.000 0.940 1250 K CB 0.243 32.707 32.500 -0.060 0.000 0.748 1250 K HN 0.386 nan 8.250 nan 0.000 0.465 1251 K N -0.237 120.051 120.400 -0.188 0.000 2.459 1251 K HA 0.090 4.410 4.320 -0.000 0.000 0.193 1251 K C 0.272 176.869 176.600 -0.005 0.000 1.030 1251 K CA 0.348 56.556 56.287 -0.133 0.000 1.026 1251 K CB 0.810 33.095 32.500 -0.359 0.000 0.809 1251 K HN 0.169 nan 8.250 nan 0.000 0.504 1252 A N 0.826 123.550 122.820 -0.159 0.000 2.532 1252 A HA 0.467 4.787 4.320 -0.000 0.000 0.290 1252 A C -0.803 176.664 177.584 -0.196 0.000 1.143 1252 A CA -0.863 51.096 52.037 -0.131 0.000 0.728 1252 A CB 0.856 19.788 19.000 -0.114 0.000 1.317 1252 A HN 0.121 nan 8.150 nan 0.000 0.414 1253 I N 0.862 121.281 120.570 -0.251 0.000 2.828 1253 I HA 0.061 4.230 4.170 -0.000 0.000 0.292 1253 I C 0.080 176.066 176.117 -0.219 0.000 1.206 1253 I CA 1.385 62.459 61.300 -0.377 0.000 1.420 1253 I CB -1.063 36.710 38.000 -0.379 0.000 1.368 1253 I HN 0.628 nan 8.210 nan 0.000 0.556 1254 Y N 5.609 125.802 120.300 -0.178 0.000 3.721 1254 Y HA -0.298 4.251 4.550 -0.001 0.000 0.218 1254 Y C 1.410 177.251 175.900 -0.100 0.000 1.188 1254 Y CA 0.537 58.563 58.100 -0.124 0.000 1.607 1254 Y CB -1.807 36.598 38.460 -0.091 0.000 1.496 1254 Y HN 1.034 nan 8.280 nan 0.000 0.626 1255 A N -1.395 121.418 122.820 -0.011 0.000 3.021 1255 A HA -0.256 4.064 4.320 -0.000 0.000 0.257 1255 A C 0.999 178.550 177.584 -0.056 0.000 1.277 1255 A CA 1.022 53.033 52.037 -0.044 0.000 1.012 1255 A CB -2.011 16.981 19.000 -0.013 0.000 1.147 1255 A HN 1.318 nan 8.150 nan 0.000 0.861 1256 S N -0.775 114.898 115.700 -0.044 0.000 2.655 1256 S HA 0.746 5.216 4.470 -0.000 0.000 0.265 1256 S C -0.078 174.481 174.600 -0.067 0.000 1.240 1256 S CA -0.031 58.151 58.200 -0.029 0.000 0.986 1256 S CB 1.360 64.566 63.200 0.009 0.000 0.985 1256 S HN 0.555 nan 8.310 nan 0.000 0.562 1257 K N -0.204 120.199 120.400 0.005 0.000 2.426 1257 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 1257 K C -0.639 176.055 176.600 0.157 0.000 0.941 1257 K CA -0.864 55.482 56.287 0.100 0.000 0.808 1257 K CB 2.179 34.758 32.500 0.132 0.000 1.265 1257 K HN 0.855 nan 8.250 nan 0.000 0.432 1258 A N 1.152 124.123 122.820 0.252 0.000 2.565 1258 A HA 0.080 4.400 4.320 -0.000 0.000 0.237 1258 A C 0.634 178.262 177.584 0.074 0.000 1.053 1258 A CA 0.138 52.246 52.037 0.119 0.000 0.755 1258 A CB 0.358 19.393 19.000 0.059 0.000 0.980 1258 A HN 0.536 nan 8.150 nan 0.000 0.506 1259 V N 2.624 122.558 119.914 0.033 0.000 3.426 1259 V HA 0.222 4.341 4.120 -0.000 0.000 0.279 1259 V C 1.739 177.826 176.094 -0.012 0.000 1.544 1259 V CA 1.425 63.736 62.300 0.018 0.000 1.017 1259 V CB -0.162 31.680 31.823 0.033 0.000 0.821 1259 V HN 1.110 nan 8.190 nan 0.000 0.432 1260 G N 0.393 109.181 108.800 -0.019 0.000 2.480 1260 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.216 1260 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.216 1260 G C 1.208 176.081 174.900 -0.046 0.000 1.200 1260 G CA 1.484 46.579 45.100 -0.008 0.000 0.782 1260 G HN 0.601 nan 8.290 nan 0.000 0.554 1261 E N 0.384 120.473 120.200 -0.184 0.000 2.201 1261 E HA 0.025 4.374 4.350 -0.000 0.000 0.193 1261 E C -0.234 176.000 176.600 -0.610 0.000 0.957 1261 E CA 0.024 56.199 56.400 -0.376 0.000 0.858 1261 E CB -0.038 29.329 29.700 -0.555 0.000 0.816 1261 E HN 0.293 nan 8.360 nan 0.000 0.475 1262 P HA -0.157 nan 4.420 nan 0.000 0.217 1262 P C -1.692 175.544 177.300 -0.108 0.000 1.151 1262 P CA 1.770 64.606 63.100 -0.440 0.000 0.849 1262 P CB -0.803 30.821 31.700 -0.126 0.000 0.787 1263 P HA -0.014 nan 4.420 nan 0.000 0.231 1263 P C 1.550 178.936 177.300 0.143 0.000 1.168 1263 P CA 0.490 63.652 63.100 0.103 0.000 0.779 1263 P CB -0.397 31.376 31.700 0.121 0.000 0.844 1264 L N -1.113 120.151 121.223 0.069 0.000 2.012 1264 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 1264 L C 2.196 179.158 176.870 0.153 0.000 1.073 1264 L CA 1.681 56.567 54.840 0.076 0.000 0.748 1264 L CB -0.780 41.289 42.059 0.016 0.000 0.891 1264 L HN -0.110 nan 8.230 nan 0.000 0.431 1265 F N 0.208 120.219 119.950 0.101 0.000 2.250 1265 F HA -0.217 4.309 4.527 -0.001 0.000 0.301 1265 F C 1.903 177.827 175.800 0.207 0.000 1.077 1265 F CA 1.386 59.515 58.000 0.214 0.000 1.348 1265 F CB -0.341 38.767 39.000 0.180 0.000 1.040 1265 F HN 0.032 nan 8.300 nan 0.000 0.509 1266 L N -0.181 121.066 121.223 0.041 0.000 2.261 1266 L HA -0.159 4.181 4.340 -0.000 0.000 0.216 1266 L C 2.692 179.577 176.870 0.024 0.000 1.114 1266 L CA 0.960 55.827 54.840 0.046 0.000 0.777 1266 L CB -1.544 40.684 42.059 0.281 0.000 0.910 1266 L HN 0.330 nan 8.230 nan 0.000 0.440 1267 G N -0.077 108.598 108.800 -0.207 0.000 2.479 1267 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 1267 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 1267 G C 1.714 176.459 174.900 -0.259 0.000 1.115 1267 G CA 0.738 45.481 45.100 -0.596 0.000 0.757 1267 G HN 0.490 nan 8.290 nan 0.000 0.560 1268 A N 1.268 123.826 122.820 -0.437 0.000 2.121 1268 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 1268 A C 2.655 180.163 177.584 -0.127 0.000 1.154 1268 A CA 2.012 53.629 52.037 -0.701 0.000 0.679 1268 A CB -0.534 17.730 19.000 -1.227 0.000 0.795 1268 A HN 0.692 nan 8.150 nan 0.000 0.458 1269 S N -0.191 115.476 115.700 -0.055 0.000 2.400 1269 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 1269 S C 1.678 176.348 174.600 0.118 0.000 1.025 1269 S CA 1.507 59.771 58.200 0.107 0.000 0.993 1269 S CB -0.931 62.351 63.200 0.137 0.000 0.808 1269 S HN 0.286 nan 8.310 nan 0.000 0.478 1270 V N 1.001 120.955 119.914 0.067 0.000 2.358 1270 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 1270 V C 2.082 178.159 176.094 -0.028 0.000 1.047 1270 V CA 1.896 64.215 62.300 0.031 0.000 1.035 1270 V CB -1.094 30.735 31.823 0.011 0.000 0.658 1270 V HN 0.550 nan 8.190 nan 0.000 0.452 1271 F N 0.624 120.452 119.950 -0.203 0.000 2.102 1271 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 1271 F C 2.030 177.625 175.800 -0.342 0.000 1.105 1271 F CA 1.880 59.685 58.000 -0.325 0.000 1.239 1271 F CB -0.317 38.375 39.000 -0.514 0.000 0.991 1271 F HN 0.129 nan 8.300 nan 0.000 0.474 1272 F N 0.085 120.119 119.950 0.140 0.000 2.407 1272 F HA 0.024 4.551 4.527 -0.001 0.000 0.299 1272 F C 2.428 178.206 175.800 -0.037 0.000 1.097 1272 F CA 0.689 58.723 58.000 0.057 0.000 1.422 1272 F CB -0.937 38.113 39.000 0.083 0.000 1.067 1272 F HN 0.075 nan 8.300 nan 0.000 0.539 1273 A N 0.554 123.425 122.820 0.085 0.000 1.898 1273 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 1273 A C 2.182 179.728 177.584 -0.065 0.000 1.181 1273 A CA 1.372 53.422 52.037 0.021 0.000 0.620 1273 A CB -0.959 18.050 19.000 0.015 0.000 0.819 1273 A HN 0.362 nan 8.150 nan 0.000 0.442 1274 I N -0.476 119.986 120.570 -0.180 0.000 2.208 1274 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 1274 I C 2.549 178.548 176.117 -0.196 0.000 1.097 1274 I CA 1.902 63.047 61.300 -0.258 0.000 1.363 1274 I CB -0.210 37.524 38.000 -0.444 0.000 1.051 1274 I HN 0.363 nan 8.210 nan 0.000 0.413 1275 K N 0.762 121.014 120.400 -0.247 0.000 2.057 1275 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 1275 K C 1.673 178.328 176.600 0.092 0.000 1.049 1275 K CA 1.918 58.153 56.287 -0.088 0.000 0.931 1275 K CB -0.033 32.383 32.500 -0.140 0.000 0.714 1275 K HN 0.178 nan 8.250 nan 0.000 0.440 1276 D N 0.094 120.532 120.400 0.064 0.000 2.117 1276 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 1276 D C 1.683 178.020 176.300 0.062 0.000 0.987 1276 D CA 1.381 55.431 54.000 0.082 0.000 0.829 1276 D CB -0.128 40.712 40.800 0.067 0.000 0.961 1276 D HN 0.352 nan 8.370 nan 0.000 0.460 1277 A N 0.175 123.009 122.820 0.023 0.000 1.930 1277 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 1277 A C 2.314 179.913 177.584 0.026 0.000 1.175 1277 A CA 0.762 52.809 52.037 0.018 0.000 0.627 1277 A CB -0.608 18.386 19.000 -0.010 0.000 0.815 1277 A HN 0.221 nan 8.150 nan 0.000 0.443 1278 I N -1.133 119.454 120.570 0.029 0.000 2.226 1278 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 1278 I C 2.684 178.791 176.117 -0.018 0.000 1.100 1278 I CA 1.551 62.852 61.300 0.002 0.000 1.374 1278 I CB -0.306 37.706 38.000 0.021 0.000 1.057 1278 I HN 0.346 nan 8.210 nan 0.000 0.413 1279 R N 1.128 121.696 120.500 0.114 0.000 2.091 1279 R HA -0.203 4.136 4.340 -0.000 0.000 0.238 1279 R C 2.381 178.705 176.300 0.040 0.000 1.136 1279 R CA 1.720 57.900 56.100 0.133 0.000 0.959 1279 R CB -0.261 30.174 30.300 0.225 0.000 0.856 1279 R HN 0.376 nan 8.270 nan 0.000 0.437 1280 A N 0.444 123.284 122.820 0.033 0.000 1.902 1280 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 1280 A C 2.328 179.889 177.584 -0.037 0.000 1.181 1280 A CA 1.665 53.704 52.037 0.003 0.000 0.623 1280 A CB -0.773 18.240 19.000 0.022 0.000 0.818 1280 A HN 0.532 nan 8.150 nan 0.000 0.443 1281 A N -0.150 122.656 122.820 -0.023 0.000 1.902 1281 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 1281 A C 2.239 179.796 177.584 -0.045 0.000 1.181 1281 A CA 1.555 53.579 52.037 -0.021 0.000 0.623 1281 A CB -0.439 18.585 19.000 0.039 0.000 0.818 1281 A HN 0.555 nan 8.150 nan 0.000 0.443 1282 R N -0.502 119.955 120.500 -0.071 0.000 2.092 1282 R HA -0.014 4.326 4.340 -0.000 0.000 0.231 1282 R C 2.434 178.695 176.300 -0.065 0.000 1.119 1282 R CA 1.060 57.111 56.100 -0.082 0.000 0.970 1282 R CB -0.455 29.741 30.300 -0.172 0.000 0.864 1282 R HN 0.501 nan 8.270 nan 0.000 0.440 1283 A N 0.965 123.747 122.820 -0.064 0.000 1.940 1283 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 1283 A C 2.119 179.626 177.584 -0.129 0.000 1.176 1283 A CA 1.629 53.627 52.037 -0.066 0.000 0.631 1283 A CB -0.397 18.575 19.000 -0.046 0.000 0.814 1283 A HN 0.272 nan 8.150 nan 0.000 0.446 1284 Q N -1.234 118.436 119.800 -0.218 0.000 2.049 1284 Q HA -0.143 4.196 4.340 -0.000 0.000 0.198 1284 Q C 1.599 177.298 176.000 -0.502 0.000 0.971 1284 Q CA 1.940 57.481 55.803 -0.437 0.000 0.833 1284 Q CB -0.132 28.209 28.738 -0.662 0.000 0.896 1284 Q HN 0.759 nan 8.270 nan 0.000 0.434 1285 H N -1.401 117.599 119.070 -0.116 0.000 3.046 1285 H HA 0.255 4.811 4.556 -0.001 0.000 0.262 1285 H C 0.610 175.910 175.328 -0.047 0.000 1.044 1285 H CA 0.923 56.917 56.048 -0.090 0.000 1.209 1285 H CB 0.574 30.293 29.762 -0.072 0.000 1.507 1285 H HN 0.421 nan 8.280 nan 0.000 0.507 1286 T N -0.465 114.113 114.554 0.041 0.000 2.769 1286 T HA 0.132 4.482 4.350 -0.000 0.000 0.258 1286 T C 0.491 175.193 174.700 0.003 0.000 1.008 1286 T CA -0.972 61.141 62.100 0.021 0.000 1.021 1286 T CB 0.697 69.566 68.868 0.002 0.000 1.788 1286 T HN 0.295 nan 8.240 nan 0.000 0.577 1287 N N 1.264 119.968 118.700 0.006 0.000 2.356 1287 N HA -0.057 4.683 4.740 -0.000 0.000 0.252 1287 N C -0.496 175.017 175.510 0.004 0.000 1.241 1287 N CA -0.047 53.008 53.050 0.009 0.000 0.861 1287 N CB -0.038 38.462 38.487 0.021 0.000 1.075 1287 N HN 0.546 nan 8.380 nan 0.000 0.461 1288 N N 0.643 119.345 118.700 0.003 0.000 2.413 1288 N HA 0.004 4.744 4.740 -0.000 0.000 0.207 1288 N C -0.683 174.836 175.510 0.015 0.000 1.206 1288 N CA -0.033 53.017 53.050 -0.000 0.000 0.832 1288 N CB -0.181 38.303 38.487 -0.006 0.000 1.037 1288 N HN 0.475 nan 8.380 nan 0.000 0.467 1289 N N 0.539 119.255 118.700 0.028 0.000 2.406 1289 N HA -0.007 4.733 4.740 -0.000 0.000 0.274 1289 N C 0.664 176.206 175.510 0.053 0.000 1.249 1289 N CA 0.378 53.455 53.050 0.044 0.000 0.951 1289 N CB 0.808 39.329 38.487 0.057 0.000 1.241 1289 N HN 0.224 nan 8.380 nan 0.000 0.485 1290 T N 1.964 116.547 114.554 0.047 0.000 2.788 1290 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 1290 T C 1.087 175.830 174.700 0.072 0.000 1.044 1290 T CA 1.254 63.385 62.100 0.052 0.000 1.139 1290 T CB 0.193 69.087 68.868 0.043 0.000 0.867 1290 T HN 0.427 nan 8.240 nan 0.000 0.454 1291 K N 1.434 121.879 120.400 0.075 0.000 2.675 1291 K HA 0.222 4.542 4.320 -0.000 0.000 0.213 1291 K C 0.210 176.873 176.600 0.105 0.000 1.074 1291 K CA -0.164 56.175 56.287 0.088 0.000 1.172 1291 K CB 0.448 32.998 32.500 0.083 0.000 0.927 1291 K HN 0.399 nan 8.250 nan 0.000 0.471 1292 E N 1.759 122.032 120.200 0.121 0.000 2.373 1292 E HA 0.137 4.487 4.350 -0.000 0.000 0.267 1292 E C -0.894 175.830 176.600 0.206 0.000 1.032 1292 E CA -0.084 56.409 56.400 0.156 0.000 0.889 1292 E CB 0.632 30.428 29.700 0.159 0.000 0.984 1292 E HN 0.175 nan 8.360 nan 0.000 0.425 1293 L N 5.327 126.669 121.223 0.198 0.000 2.346 1293 L HA 0.548 4.888 4.340 -0.000 0.000 0.274 1293 L C -0.570 176.457 176.870 0.261 0.000 1.007 1293 L CA -1.016 53.923 54.840 0.165 0.000 0.818 1293 L CB 1.025 43.147 42.059 0.104 0.000 1.284 1293 L HN 0.488 nan 8.230 nan 0.000 0.424 1294 F N -0.365 119.647 119.950 0.104 0.000 2.599 1294 F HA 0.655 5.182 4.527 -0.000 0.000 0.311 1294 F C -0.488 175.391 175.800 0.132 0.000 1.076 1294 F CA -1.209 56.853 58.000 0.103 0.000 0.937 1294 F CB 1.454 40.504 39.000 0.084 0.000 1.282 1294 F HN 0.329 nan 8.300 nan 0.000 0.460 1295 R N 2.662 123.293 120.500 0.219 0.000 2.234 1295 R HA 0.607 4.946 4.340 -0.000 0.000 0.324 1295 R C -1.807 174.639 176.300 0.243 0.000 1.054 1295 R CA -0.634 55.570 56.100 0.173 0.000 0.912 1295 R CB 0.998 31.416 30.300 0.197 0.000 1.030 1295 R HN 0.855 nan 8.270 nan 0.000 0.455 1296 L N 5.354 126.700 121.223 0.204 0.000 2.388 1296 L HA 0.362 4.702 4.340 -0.000 0.000 0.267 1296 L C -1.167 175.970 176.870 0.446 0.000 0.995 1296 L CA -0.474 54.551 54.840 0.308 0.000 0.864 1296 L CB 1.321 43.520 42.059 0.233 0.000 1.216 1296 L HN 0.674 nan 8.230 nan 0.000 0.430 1297 D N 1.449 122.094 120.400 0.409 0.000 2.371 1297 D HA 0.181 4.821 4.640 -0.000 0.000 0.242 1297 D C -0.219 176.358 176.300 0.462 0.000 1.218 1297 D CA 0.083 54.349 54.000 0.444 0.000 0.945 1297 D CB 1.353 42.399 40.800 0.411 0.000 1.137 1297 D HN 0.441 nan 8.370 nan 0.000 0.464 1298 S N 0.171 116.020 115.700 0.248 0.000 2.525 1298 S HA 0.492 4.962 4.470 -0.000 0.000 0.290 1298 S C -2.652 171.974 174.600 0.044 0.000 1.152 1298 S CA -1.507 56.702 58.200 0.015 0.000 1.072 1298 S CB 1.189 64.003 63.200 -0.643 0.000 1.027 1298 S HN 0.143 nan 8.310 nan 0.000 0.500 1299 P HA 0.240 nan 4.420 nan 0.000 0.279 1299 P C -1.128 176.290 177.300 0.197 0.000 1.239 1299 P CA -0.454 62.703 63.100 0.094 0.000 0.789 1299 P CB 0.827 32.536 31.700 0.016 0.000 0.933 1300 A N 3.017 125.999 122.820 0.270 0.000 2.981 1300 A HA 0.315 4.634 4.320 -0.000 0.000 0.280 1300 A C 1.040 178.647 177.584 0.039 0.000 1.743 1300 A CA -0.137 51.972 52.037 0.119 0.000 1.430 1300 A CB -1.443 17.486 19.000 -0.118 0.000 1.085 1300 A HN 0.612 nan 8.150 nan 0.000 0.597 1301 T N -0.723 113.866 114.554 0.059 0.000 2.788 1301 T HA 0.320 4.670 4.350 -0.000 0.000 0.287 1301 T C -1.576 173.144 174.700 0.034 0.000 1.007 1301 T CA -1.258 60.865 62.100 0.038 0.000 1.005 1301 T CB 0.392 69.281 68.868 0.035 0.000 1.012 1301 T HN 0.171 nan 8.240 nan 0.000 0.530 1302 P HA -0.172 nan 4.420 nan 0.000 0.216 1302 P C 1.538 178.852 177.300 0.023 0.000 1.154 1302 P CA 1.445 64.564 63.100 0.031 0.000 0.865 1302 P CB 0.023 31.734 31.700 0.017 0.000 0.789 1303 E N 0.214 120.427 120.200 0.021 0.000 2.038 1303 E HA -0.247 4.102 4.350 -0.000 0.000 0.195 1303 E C 1.784 178.408 176.600 0.041 0.000 1.000 1303 E CA 1.453 57.868 56.400 0.025 0.000 0.803 1303 E CB -0.215 29.499 29.700 0.023 0.000 0.750 1303 E HN 0.157 nan 8.360 nan 0.000 0.448 1304 K N 0.093 120.526 120.400 0.055 0.000 2.057 1304 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 1304 K C 2.323 178.956 176.600 0.055 0.000 1.050 1304 K CA 1.309 57.642 56.287 0.076 0.000 0.935 1304 K CB -0.136 32.428 32.500 0.108 0.000 0.715 1304 K HN 0.261 nan 8.250 nan 0.000 0.439 1305 I N 0.678 121.264 120.570 0.026 0.000 2.142 1305 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 1305 I C 2.622 178.748 176.117 0.015 0.000 1.078 1305 I CA 1.034 62.335 61.300 0.002 0.000 1.343 1305 I CB -0.203 37.785 38.000 -0.021 0.000 1.046 1305 I HN 0.057 nan 8.210 nan 0.000 0.405 1306 R N 1.682 122.196 120.500 0.024 0.000 2.080 1306 R HA -0.174 4.165 4.340 -0.000 0.000 0.236 1306 R C 1.947 178.266 176.300 0.032 0.000 1.137 1306 R CA 1.883 58.000 56.100 0.028 0.000 0.943 1306 R CB -0.685 29.626 30.300 0.018 0.000 0.846 1306 R HN 0.295 nan 8.270 nan 0.000 0.431 1307 N N 0.155 118.876 118.700 0.034 0.000 2.223 1307 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 1307 N C 1.282 176.807 175.510 0.025 0.000 1.016 1307 N CA 1.558 54.631 53.050 0.038 0.000 0.863 1307 N CB -0.357 38.160 38.487 0.050 0.000 0.983 1307 N HN 0.403 nan 8.380 nan 0.000 0.429 1308 A N -0.409 122.417 122.820 0.009 0.000 2.119 1308 A HA 0.027 4.346 4.320 -0.000 0.000 0.216 1308 A C 1.072 178.578 177.584 -0.130 0.000 1.152 1308 A CA 0.184 52.182 52.037 -0.065 0.000 0.708 1308 A CB -0.206 18.769 19.000 -0.042 0.000 0.805 1308 A HN 0.327 nan 8.150 nan 0.000 0.460 1309 C N 1.899 121.175 119.300 -0.040 0.000 2.861 1309 C HA 0.386 4.845 4.460 -0.000 0.000 0.542 1309 C C 0.661 175.681 174.990 0.050 0.000 1.074 1309 C CA -1.018 58.004 59.018 0.006 0.000 1.232 1309 C CB -2.227 25.555 27.740 0.071 0.000 1.433 1309 C HN 0.310 nan 8.230 nan 0.000 0.606 1310 V N 4.379 124.298 119.914 0.008 0.000 2.540 1310 V HA 0.224 4.343 4.120 -0.000 0.000 0.297 1310 V C 0.320 176.464 176.094 0.083 0.000 1.024 1310 V CA 0.935 63.257 62.300 0.036 0.000 1.105 1310 V CB 0.356 32.181 31.823 0.002 0.000 0.938 1310 V HN 0.877 nan 8.190 nan 0.000 0.482 1311 D N 3.125 123.579 120.400 0.091 0.000 3.103 1311 D HA 0.213 4.852 4.640 -0.000 0.000 0.337 1311 D C 0.600 176.901 176.300 0.001 0.000 1.356 1311 D CA -0.470 53.578 54.000 0.081 0.000 0.951 1311 D CB 0.667 41.548 40.800 0.135 0.000 1.438 1311 D HN 0.338 nan 8.370 nan 0.000 0.562 1312 K N -0.526 119.794 120.400 -0.133 0.000 2.365 1312 K HA 0.043 4.363 4.320 -0.000 0.000 0.199 1312 K C 1.060 177.399 176.600 -0.434 0.000 1.045 1312 K CA 0.963 57.057 56.287 -0.322 0.000 0.962 1312 K CB -0.439 31.794 32.500 -0.445 0.000 0.759 1312 K HN 0.270 nan 8.250 nan 0.000 0.469 1313 F N 2.297 122.239 119.950 -0.014 0.000 2.220 1313 F HA -0.042 4.485 4.527 -0.000 0.000 0.290 1313 F C 2.909 178.698 175.800 -0.019 0.000 1.080 1313 F CA 1.171 59.149 58.000 -0.035 0.000 1.318 1313 F CB -0.756 38.199 39.000 -0.075 0.000 1.063 1313 F HN 0.117 nan 8.300 nan 0.000 0.498 1314 T N -1.847 112.809 114.554 0.171 0.000 2.788 1314 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 1314 T C 1.237 175.970 174.700 0.055 0.000 1.044 1314 T CA 1.251 63.410 62.100 0.098 0.000 1.139 1314 T CB -1.368 67.549 68.868 0.082 0.000 0.867 1314 T HN 0.282 nan 8.240 nan 0.000 0.454 1315 T N 0.000 114.573 114.554 0.031 0.000 3.816 1315 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1315 T CA 0.000 62.106 62.100 0.010 0.000 1.349 1315 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658