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 3nvv_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 0.000 176.257 176.300 -0.072 0.000 2.045 571 D CA 0.000 53.955 54.000 -0.074 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.087 0.000 0.688 572 T N -0.424 114.088 114.554 -0.070 0.000 3.069 572 T HA 0.241 4.591 4.350 -0.001 0.000 0.252 572 T C 0.799 175.459 174.700 -0.066 0.000 1.053 572 T CA -0.056 62.011 62.100 -0.056 0.000 0.964 572 T CB 0.041 68.885 68.868 -0.039 0.000 1.005 572 T HN 0.147 nan 8.240 nan 0.000 0.532 573 V N 2.309 122.160 119.914 -0.104 0.000 2.540 573 V HA 0.452 4.572 4.120 -0.001 0.000 0.297 573 V C 1.687 177.723 176.094 -0.097 0.000 1.024 573 V CA 1.356 63.584 62.300 -0.119 0.000 1.105 573 V CB -0.077 31.595 31.823 -0.252 0.000 0.938 573 V HN 0.868 nan 8.190 nan 0.000 0.482 574 G N 4.436 113.200 108.800 -0.059 0.000 2.175 574 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.244 574 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.244 574 G C 0.237 175.117 174.900 -0.033 0.000 0.982 574 G CA 0.282 45.356 45.100 -0.044 0.000 0.641 574 G HN 0.955 nan 8.290 nan 0.000 0.527 575 R N 0.734 121.214 120.500 -0.033 0.000 2.598 575 R HA 0.676 5.016 4.340 -0.001 0.000 0.279 575 R C -2.431 173.859 176.300 -0.016 0.000 0.984 575 R CA -1.641 54.445 56.100 -0.024 0.000 0.999 575 R CB 1.706 31.990 30.300 -0.026 0.000 1.114 575 R HN 0.046 nan 8.270 nan 0.000 0.493 576 P HA 0.039 nan 4.420 nan 0.000 0.226 576 P C -0.768 176.534 177.300 0.004 0.000 1.783 576 P CA -0.262 62.836 63.100 -0.003 0.000 0.980 576 P CB 0.062 31.760 31.700 -0.004 0.000 1.967 577 L N 3.154 124.379 121.223 0.002 0.000 2.410 577 L HA 0.345 4.684 4.340 -0.001 0.000 0.273 577 L C -2.326 174.559 176.870 0.024 0.000 1.144 577 L CA -1.879 52.966 54.840 0.008 0.000 0.863 577 L CB -0.366 41.692 42.059 -0.002 0.000 1.140 577 L HN -0.001 nan 8.230 nan 0.000 0.463 578 P HA -0.028 nan 4.420 nan 0.000 0.267 578 P C -0.789 176.570 177.300 0.098 0.000 1.200 578 P CA -0.046 63.096 63.100 0.070 0.000 0.772 578 P CB 0.202 31.942 31.700 0.068 0.000 0.855 579 H N 2.960 122.045 119.070 0.025 0.000 3.195 579 H HA -0.072 4.484 4.556 -0.001 0.000 0.302 579 H C 1.198 176.545 175.328 0.032 0.000 0.950 579 H CA 0.701 56.766 56.048 0.028 0.000 1.398 579 H CB 0.335 30.116 29.762 0.032 0.000 1.377 579 H HN 0.383 nan 8.280 nan 0.000 0.572 580 L N 4.299 125.539 121.223 0.029 0.000 2.081 580 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 580 L C 2.353 179.343 176.870 0.200 0.000 1.080 580 L CA 1.694 56.587 54.840 0.089 0.000 0.754 580 L CB -0.416 41.643 42.059 0.001 0.000 0.893 580 L HN 0.652 nan 8.230 nan 0.000 0.433 581 A N -0.964 122.108 122.820 0.420 0.000 2.275 581 A HA 0.340 4.659 4.320 -0.001 0.000 0.212 581 A C 2.349 180.015 177.584 0.137 0.000 1.201 581 A CA 0.709 52.894 52.037 0.247 0.000 0.843 581 A CB -0.226 18.907 19.000 0.222 0.000 0.873 581 A HN 0.314 nan 8.150 nan 0.000 0.492 582 A N 0.393 123.305 122.820 0.154 0.000 1.940 582 A HA 0.088 4.407 4.320 -0.001 0.000 0.219 582 A C 2.419 180.032 177.584 0.048 0.000 1.176 582 A CA 1.959 54.019 52.037 0.039 0.000 0.631 582 A CB -0.826 18.211 19.000 0.062 0.000 0.814 582 A HN 1.017 nan 8.150 nan 0.000 0.446 583 A N -0.660 122.199 122.820 0.065 0.000 1.902 583 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 583 A C 2.234 179.847 177.584 0.049 0.000 1.181 583 A CA 1.807 53.875 52.037 0.052 0.000 0.623 583 A CB -0.496 18.535 19.000 0.051 0.000 0.818 583 A HN 0.541 nan 8.150 nan 0.000 0.443 584 M N -1.150 118.482 119.600 0.053 0.000 2.349 584 M HA -0.131 4.348 4.480 -0.001 0.000 0.266 584 M C 2.293 178.626 176.300 0.055 0.000 1.076 584 M CA 1.078 56.407 55.300 0.048 0.000 1.126 584 M CB -0.262 32.364 32.600 0.044 0.000 1.392 584 M HN 0.488 nan 8.290 nan 0.000 0.440 585 Q N 0.276 120.110 119.800 0.056 0.000 2.079 585 Q HA -0.081 4.259 4.340 -0.001 0.000 0.200 585 Q C 2.221 178.266 176.000 0.075 0.000 0.974 585 Q CA 1.604 57.457 55.803 0.084 0.000 0.840 585 Q CB -0.230 28.540 28.738 0.053 0.000 0.898 585 Q HN 0.571 nan 8.270 nan 0.000 0.430 586 A N 0.801 123.654 122.820 0.054 0.000 2.067 586 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 586 A C 2.091 179.704 177.584 0.048 0.000 1.158 586 A CA 1.537 53.604 52.037 0.050 0.000 0.661 586 A CB -0.270 18.756 19.000 0.043 0.000 0.801 586 A HN 0.401 nan 8.150 nan 0.000 0.452 587 S N -2.527 113.202 115.700 0.048 0.000 2.535 587 S HA 0.394 4.864 4.470 -0.001 0.000 0.214 587 S C 1.380 176.007 174.600 0.046 0.000 0.980 587 S CA 1.042 59.266 58.200 0.041 0.000 0.907 587 S CB -0.090 63.130 63.200 0.035 0.000 0.790 587 S HN 1.842 nan 8.310 nan 0.000 0.510 588 G N 1.216 110.054 108.800 0.063 0.000 2.143 588 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.248 588 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.248 588 G C 0.426 175.367 174.900 0.069 0.000 0.991 588 G CA 0.497 45.642 45.100 0.075 0.000 0.689 588 G HN 0.584 nan 8.290 nan 0.000 0.522 589 E N -0.104 120.129 120.200 0.055 0.000 2.340 589 E HA 0.416 4.766 4.350 -0.001 0.000 0.194 589 E C 1.779 178.392 176.600 0.021 0.000 0.996 589 E CA 0.336 56.757 56.400 0.034 0.000 0.869 589 E CB 0.217 29.931 29.700 0.024 0.000 0.835 589 E HN 0.771 nan 8.360 nan 0.000 0.493 590 A N 1.579 124.414 122.820 0.025 0.000 2.520 590 A HA 0.188 4.508 4.320 -0.001 0.000 0.245 590 A C 0.096 177.613 177.584 -0.113 0.000 1.072 590 A CA -0.079 51.918 52.037 -0.067 0.000 0.761 590 A CB 0.340 19.283 19.000 -0.095 0.000 1.004 590 A HN 0.001 nan 8.150 nan 0.000 0.499 591 V N 4.034 123.828 119.914 -0.201 0.000 2.394 591 V HA 0.346 4.465 4.120 -0.001 0.000 0.282 591 V C -0.557 175.353 176.094 -0.307 0.000 1.031 591 V CA -0.186 62.035 62.300 -0.133 0.000 0.881 591 V CB 0.261 32.028 31.823 -0.092 0.000 0.982 591 V HN 0.763 nan 8.190 nan 0.000 0.451 592 Y N 1.659 121.953 120.300 -0.010 0.000 2.519 592 Y HA 0.340 4.890 4.550 -0.001 0.000 0.324 592 Y C 1.593 177.484 175.900 -0.015 0.000 1.214 592 Y CA -0.370 57.724 58.100 -0.010 0.000 1.260 592 Y CB 0.658 39.112 38.460 -0.009 0.000 1.311 592 Y HN 0.661 nan 8.280 nan 0.000 0.505 593 C N 0.699 120.091 119.300 0.153 0.000 2.349 593 C HA -0.290 4.169 4.460 -0.001 0.000 0.274 593 C C 2.470 177.499 174.990 0.065 0.000 1.178 593 C CA 2.540 61.611 59.018 0.089 0.000 1.769 593 C CB -0.872 26.926 27.740 0.096 0.000 2.047 593 C HN 1.081 nan 8.230 nan 0.000 0.448 594 D N -0.392 120.060 120.400 0.087 0.000 2.348 594 D HA -0.059 4.580 4.640 -0.001 0.000 0.216 594 D C 1.455 177.790 176.300 0.059 0.000 0.970 594 D CA 0.913 54.958 54.000 0.075 0.000 0.889 594 D CB -0.314 40.535 40.800 0.081 0.000 0.912 594 D HN 0.574 nan 8.370 nan 0.000 0.524 595 D N -0.333 120.104 120.400 0.062 0.000 2.347 595 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 595 D C 0.637 176.924 176.300 -0.022 0.000 0.985 595 D CA 0.059 54.084 54.000 0.041 0.000 0.879 595 D CB 0.175 41.025 40.800 0.083 0.000 0.919 595 D HN 0.358 nan 8.370 nan 0.000 0.526 596 I N 3.674 124.204 120.570 -0.066 0.000 2.683 596 I HA -0.010 4.160 4.170 -0.001 0.000 0.286 596 I C -1.749 174.283 176.117 -0.142 0.000 1.175 596 I CA -1.324 59.880 61.300 -0.161 0.000 1.429 596 I CB 0.174 38.005 38.000 -0.281 0.000 1.371 596 I HN -0.215 nan 8.210 nan 0.000 0.569 597 P HA 0.076 nan 4.420 nan 0.000 0.268 597 P C -0.929 176.255 177.300 -0.194 0.000 1.208 597 P CA -0.149 62.861 63.100 -0.150 0.000 0.777 597 P CB 0.453 32.049 31.700 -0.173 0.000 0.875 598 R N 1.194 121.631 120.500 -0.106 0.000 2.404 598 R HA 0.342 4.682 4.340 -0.001 0.000 0.291 598 R C 0.032 176.269 176.300 -0.105 0.000 1.025 598 R CA -0.432 55.626 56.100 -0.071 0.000 0.991 598 R CB -0.023 30.318 30.300 0.069 0.000 1.053 598 R HN 0.419 nan 8.270 nan 0.000 0.479 599 Y N 1.687 121.976 120.300 -0.018 0.000 2.511 599 Y HA -0.155 4.394 4.550 -0.001 0.000 0.347 599 Y C 1.922 177.830 175.900 0.013 0.000 1.257 599 Y CA 0.420 58.515 58.100 -0.009 0.000 1.469 599 Y CB 0.695 39.145 38.460 -0.017 0.000 1.353 599 Y HN 0.721 nan 8.280 nan 0.000 0.617 600 E N 0.407 120.734 120.200 0.211 0.000 2.160 600 E HA -0.284 4.065 4.350 -0.001 0.000 0.195 600 E C 0.633 177.316 176.600 0.139 0.000 0.991 600 E CA 1.687 58.168 56.400 0.135 0.000 0.810 600 E CB -0.325 29.436 29.700 0.102 0.000 0.742 600 E HN 0.737 nan 8.360 nan 0.000 0.466 601 N N 1.031 119.817 118.700 0.143 0.000 2.235 601 N HA 0.004 4.743 4.740 -0.001 0.000 0.209 601 N C -0.336 175.316 175.510 0.237 0.000 1.122 601 N CA -0.095 53.059 53.050 0.175 0.000 0.845 601 N CB 0.190 38.688 38.487 0.018 0.000 1.004 601 N HN 0.252 nan 8.380 nan 0.000 0.499 602 E N 0.987 121.276 120.200 0.148 0.000 2.344 602 E HA 0.217 4.566 4.350 -0.001 0.000 0.270 602 E C -0.496 176.029 176.600 -0.125 0.000 1.021 602 E CA -0.307 56.107 56.400 0.024 0.000 0.887 602 E CB 0.590 30.277 29.700 -0.021 0.000 0.997 602 E HN 0.229 nan 8.360 nan 0.000 0.429 603 L N 3.517 124.614 121.223 -0.211 0.000 2.376 603 L HA 0.538 4.878 4.340 -0.001 0.000 0.267 603 L C -0.598 175.925 176.870 -0.577 0.000 1.035 603 L CA -1.055 53.651 54.840 -0.223 0.000 0.800 603 L CB 0.769 42.762 42.059 -0.109 0.000 1.290 603 L HN 0.521 nan 8.230 nan 0.000 0.462 604 F N 0.867 120.829 119.950 0.020 0.000 2.540 604 F HA 0.563 5.090 4.527 -0.001 0.000 0.317 604 F C -0.263 175.549 175.800 0.021 0.000 1.104 604 F CA -0.486 57.531 58.000 0.028 0.000 0.913 604 F CB 1.837 40.853 39.000 0.027 0.000 1.170 604 F HN 0.153 nan 8.300 nan 0.000 0.450 605 L N 3.521 124.846 121.223 0.171 0.000 2.325 605 L HA 0.789 5.129 4.340 -0.001 0.000 0.278 605 L C -0.882 176.070 176.870 0.137 0.000 1.023 605 L CA -0.668 54.244 54.840 0.120 0.000 0.811 605 L CB 1.443 43.554 42.059 0.086 0.000 1.249 605 L HN 0.729 nan 8.230 nan 0.000 0.431 606 R N 4.053 124.623 120.500 0.117 0.000 2.532 606 R HA 0.552 4.892 4.340 -0.001 0.000 0.297 606 R C -1.615 174.754 176.300 0.115 0.000 0.984 606 R CA -0.450 55.717 56.100 0.112 0.000 0.884 606 R CB 1.305 31.660 30.300 0.090 0.000 1.182 606 R HN 0.694 nan 8.270 nan 0.000 0.442 607 L N 3.713 125.010 121.223 0.123 0.000 2.426 607 L HA 0.329 4.669 4.340 -0.001 0.000 0.271 607 L C -0.298 176.655 176.870 0.139 0.000 1.169 607 L CA -0.569 54.351 54.840 0.132 0.000 0.836 607 L CB 1.187 43.332 42.059 0.144 0.000 1.112 607 L HN 0.333 nan 8.230 nan 0.000 0.465 608 V N 1.815 121.810 119.914 0.136 0.000 2.370 608 V HA 0.447 4.567 4.120 -0.001 0.000 0.283 608 V C 0.235 176.420 176.094 0.152 0.000 1.023 608 V CA -0.404 61.998 62.300 0.170 0.000 0.857 608 V CB 1.674 33.653 31.823 0.259 0.000 0.985 608 V HN 0.932 nan 8.190 nan 0.000 0.443 609 T N 1.007 115.658 114.554 0.163 0.000 2.907 609 T HA 0.524 4.873 4.350 -0.001 0.000 0.292 609 T C -0.033 174.784 174.700 0.194 0.000 1.043 609 T CA -0.661 61.540 62.100 0.169 0.000 1.003 609 T CB 1.750 70.715 68.868 0.162 0.000 1.084 609 T HN 0.521 nan 8.240 nan 0.000 0.483 610 S N 0.829 116.660 115.700 0.219 0.000 2.552 610 S HA 0.201 4.670 4.470 -0.001 0.000 0.289 610 S C 1.423 176.104 174.600 0.135 0.000 1.304 610 S CA 0.220 58.568 58.200 0.248 0.000 1.063 610 S CB -0.110 63.242 63.200 0.253 0.000 0.848 610 S HN 1.011 nan 8.310 nan 0.000 0.499 611 T N 2.921 117.509 114.554 0.056 0.000 3.069 611 T HA 0.336 4.685 4.350 -0.001 0.000 0.252 611 T C 0.358 174.936 174.700 -0.203 0.000 1.053 611 T CA -0.393 61.675 62.100 -0.052 0.000 0.964 611 T CB 0.042 68.905 68.868 -0.009 0.000 1.005 611 T HN 0.415 nan 8.240 nan 0.000 0.532 612 R N 0.341 120.652 120.500 -0.314 0.000 2.637 612 R HA 0.761 5.101 4.340 -0.001 0.000 0.291 612 R C 1.006 177.258 176.300 -0.081 0.000 0.963 612 R CA -0.268 55.661 56.100 -0.286 0.000 0.901 612 R CB 1.312 31.298 30.300 -0.523 0.000 1.160 612 R HN 0.143 nan 8.270 nan 0.000 0.457 613 A N 1.044 123.843 122.820 -0.035 0.000 1.969 613 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 613 A C 0.221 177.870 177.584 0.110 0.000 1.169 613 A CA 1.523 53.573 52.037 0.021 0.000 0.635 613 A CB -0.200 18.800 19.000 0.001 0.000 0.810 613 A HN 0.650 nan 8.150 nan 0.000 0.445 614 H N -2.117 116.939 119.070 -0.023 0.000 3.235 614 H HA 0.596 5.152 4.556 -0.001 0.000 0.324 614 H C -1.038 174.304 175.328 0.023 0.000 1.059 614 H CA -0.453 55.604 56.048 0.014 0.000 1.497 614 H CB 0.564 30.323 29.762 -0.004 0.000 1.986 614 H HN 0.459 nan 8.280 nan 0.000 0.444 615 A N 4.158 127.040 122.820 0.104 0.000 2.605 615 A HA 0.535 4.854 4.320 -0.001 0.000 0.294 615 A C -1.133 176.520 177.584 0.116 0.000 1.062 615 A CA -1.019 51.045 52.037 0.045 0.000 0.682 615 A CB 1.431 20.505 19.000 0.124 0.000 1.278 615 A HN 0.508 nan 8.150 nan 0.000 0.410 616 K N 0.913 121.355 120.400 0.069 0.000 2.350 616 K HA 0.415 4.734 4.320 -0.001 0.000 0.279 616 K C -0.714 175.952 176.600 0.110 0.000 1.027 616 K CA 0.235 56.570 56.287 0.079 0.000 0.969 616 K CB 0.691 33.211 32.500 0.033 0.000 0.954 616 K HN 0.525 nan 8.250 nan 0.000 0.474 617 I N 3.709 124.317 120.570 0.064 0.000 2.337 617 I HA -0.001 4.169 4.170 -0.001 0.000 0.291 617 I C 1.395 177.482 176.117 -0.050 0.000 1.046 617 I CA 0.082 61.361 61.300 -0.035 0.000 1.324 617 I CB 0.881 38.858 38.000 -0.039 0.000 1.409 617 I HN 0.708 nan 8.210 nan 0.000 0.494 618 K N 4.694 125.040 120.400 -0.090 0.000 2.141 618 K HA 0.075 4.394 4.320 -0.001 0.000 0.202 618 K C 0.460 177.014 176.600 -0.076 0.000 1.045 618 K CA 0.668 56.918 56.287 -0.060 0.000 0.971 618 K CB 0.434 32.908 32.500 -0.044 0.000 0.795 618 K HN 0.731 nan 8.250 nan 0.000 0.459 619 S N -0.600 115.026 115.700 -0.123 0.000 2.565 619 S HA 0.511 4.980 4.470 -0.001 0.000 0.269 619 S C -0.913 173.588 174.600 -0.166 0.000 1.153 619 S CA -1.086 57.045 58.200 -0.115 0.000 0.835 619 S CB 1.417 64.561 63.200 -0.093 0.000 1.122 619 S HN 0.113 nan 8.310 nan 0.000 0.462 620 I N 1.752 122.230 120.570 -0.153 0.000 2.478 620 I HA 0.442 4.611 4.170 -0.001 0.000 0.287 620 I C -1.553 174.429 176.117 -0.226 0.000 1.042 620 I CA -0.351 60.819 61.300 -0.216 0.000 1.067 620 I CB 2.002 39.871 38.000 -0.219 0.000 1.233 620 I HN 0.729 nan 8.210 nan 0.000 0.431 621 D N 5.824 126.080 120.400 -0.241 0.000 2.425 621 D HA 0.322 4.962 4.640 -0.001 0.000 0.240 621 D C 0.281 176.419 176.300 -0.269 0.000 1.080 621 D CA -0.491 53.383 54.000 -0.210 0.000 0.836 621 D CB 2.135 42.846 40.800 -0.148 0.000 1.125 621 D HN 0.325 nan 8.370 nan 0.000 0.525 622 V N 1.744 121.489 119.914 -0.282 0.000 3.483 622 V HA 0.140 4.259 4.120 -0.001 0.000 0.301 622 V C 1.526 177.444 176.094 -0.294 0.000 1.389 622 V CA 0.726 62.828 62.300 -0.329 0.000 1.101 622 V CB -0.394 31.221 31.823 -0.347 0.000 0.971 622 V HN 0.470 nan 8.190 nan 0.000 0.434 623 S N 0.410 115.982 115.700 -0.214 0.000 2.399 623 S HA -0.154 4.316 4.470 -0.001 0.000 0.231 623 S C 1.707 176.187 174.600 -0.200 0.000 1.022 623 S CA 1.417 59.507 58.200 -0.183 0.000 0.983 623 S CB -0.398 62.728 63.200 -0.123 0.000 0.803 623 S HN 0.643 nan 8.310 nan 0.000 0.480 624 E N 1.937 122.023 120.200 -0.189 0.000 2.112 624 E HA 0.133 4.482 4.350 -0.001 0.000 0.190 624 E C 2.474 178.937 176.600 -0.228 0.000 0.979 624 E CA 1.054 57.355 56.400 -0.166 0.000 0.814 624 E CB -0.771 28.861 29.700 -0.113 0.000 0.762 624 E HN 0.636 nan 8.360 nan 0.000 0.460 625 A N 1.480 124.112 122.820 -0.315 0.000 1.940 625 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 625 A C 2.090 179.164 177.584 -0.850 0.000 1.176 625 A CA 1.574 53.335 52.037 -0.461 0.000 0.631 625 A CB -0.609 18.126 19.000 -0.441 0.000 0.814 625 A HN 0.226 nan 8.150 nan 0.000 0.446 626 Q N -0.575 118.686 119.800 -0.899 0.000 2.364 626 Q HA -0.129 4.211 4.340 -0.001 0.000 0.209 626 Q C 1.581 177.397 176.000 -0.306 0.000 0.977 626 Q CA 1.354 56.706 55.803 -0.752 0.000 0.885 626 Q CB -0.118 28.382 28.738 -0.396 0.000 0.941 626 Q HN 0.641 nan 8.270 nan 0.000 0.464 627 K N -0.121 120.134 120.400 -0.242 0.000 2.400 627 K HA 0.082 4.402 4.320 -0.001 0.000 0.194 627 K C -0.020 176.521 176.600 -0.098 0.000 1.033 627 K CA -0.011 56.200 56.287 -0.127 0.000 1.021 627 K CB 0.651 33.088 32.500 -0.106 0.000 0.808 627 K HN -0.040 nan 8.250 nan 0.000 0.505 628 V N 4.007 123.856 119.914 -0.110 0.000 2.521 628 V HA 0.059 4.179 4.120 -0.001 0.000 0.286 628 V C -2.212 173.816 176.094 -0.110 0.000 1.034 628 V CA -1.675 60.578 62.300 -0.078 0.000 1.045 628 V CB 0.483 32.294 31.823 -0.018 0.000 0.974 628 V HN 0.057 nan 8.190 nan 0.000 0.480 629 P HA 0.167 nan 4.420 nan 0.000 0.264 629 P C 0.949 177.976 177.300 -0.455 0.000 1.183 629 P CA 1.368 64.274 63.100 -0.324 0.000 0.763 629 P CB 0.469 31.928 31.700 -0.402 0.000 0.807 630 G N 2.131 110.844 108.800 -0.145 0.000 2.179 630 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.260 630 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.260 630 G C 0.099 175.045 174.900 0.076 0.000 0.977 630 G CA -0.400 44.702 45.100 0.003 0.000 0.641 630 G HN 0.554 nan 8.290 nan 0.000 0.533 631 F N 1.085 121.007 119.950 -0.047 0.000 2.578 631 F HA 0.427 4.954 4.527 -0.001 0.000 0.376 631 F C 1.317 177.121 175.800 0.005 0.000 1.085 631 F CA 0.801 58.800 58.000 -0.003 0.000 1.260 631 F CB 1.006 39.998 39.000 -0.013 0.000 1.095 631 F HN -0.080 nan 8.300 nan 0.000 0.573 632 V N 4.675 124.154 119.914 -0.724 0.000 2.602 632 V HA 0.069 4.189 4.120 -0.001 0.000 0.235 632 V C 0.435 176.114 176.094 -0.693 0.000 1.087 632 V CA 1.171 63.160 62.300 -0.519 0.000 1.117 632 V CB 0.410 32.030 31.823 -0.339 0.000 0.820 632 V HN 1.018 nan 8.190 nan 0.000 0.490 633 C N -1.993 116.721 119.300 -0.976 0.000 3.306 633 C HA 0.701 5.161 4.460 -0.001 0.000 0.335 633 C C -1.219 173.636 174.990 -0.225 0.000 1.382 633 C CA -1.364 57.367 59.018 -0.479 0.000 1.254 633 C CB 0.918 28.561 27.740 -0.163 0.000 1.555 633 C HN 0.320 nan 8.230 nan 0.000 0.463 634 F N 1.587 121.581 119.950 0.074 0.000 2.458 634 F HA 0.844 5.371 4.527 -0.001 0.000 0.336 634 F C -0.866 174.933 175.800 -0.002 0.000 1.114 634 F CA -1.079 56.976 58.000 0.092 0.000 0.987 634 F CB 0.943 40.051 39.000 0.180 0.000 1.130 634 F HN 0.688 nan 8.300 nan 0.000 0.458 635 L N 5.676 126.392 121.223 -0.845 0.000 2.334 635 L HA 0.716 5.056 4.340 -0.001 0.000 0.276 635 L C -0.264 175.905 176.870 -1.167 0.000 1.014 635 L CA -0.503 53.947 54.840 -0.650 0.000 0.815 635 L CB 1.864 43.769 42.059 -0.256 0.000 1.268 635 L HN 0.797 nan 8.230 nan 0.000 0.428 636 S N 0.889 116.236 115.700 -0.588 0.000 2.794 636 S HA 0.651 5.120 4.470 -0.001 0.000 0.299 636 S C 0.714 175.359 174.600 0.076 0.000 1.179 636 S CA -0.120 57.787 58.200 -0.488 0.000 0.838 636 S CB 1.270 64.362 63.200 -0.179 0.000 1.206 636 S HN 0.618 nan 8.310 nan 0.000 0.523 637 A N 0.928 123.847 122.820 0.165 0.000 1.958 637 A HA -0.156 4.164 4.320 -0.001 0.000 0.221 637 A C 1.566 179.224 177.584 0.123 0.000 1.178 637 A CA 2.271 54.434 52.037 0.209 0.000 0.642 637 A CB -1.397 17.684 19.000 0.137 0.000 0.816 637 A HN 0.830 nan 8.150 nan 0.000 0.453 638 D N 0.116 120.568 120.400 0.087 0.000 2.263 638 D HA -0.101 4.539 4.640 -0.001 0.000 0.208 638 D C 0.917 177.260 176.300 0.072 0.000 0.971 638 D CA 1.089 55.130 54.000 0.068 0.000 0.867 638 D CB -0.340 40.497 40.800 0.061 0.000 0.929 638 D HN 0.508 nan 8.370 nan 0.000 0.492 639 D N 0.247 120.700 120.400 0.089 0.000 2.347 639 D HA 0.027 4.666 4.640 -0.001 0.000 0.213 639 D C 0.847 177.206 176.300 0.099 0.000 0.985 639 D CA 0.051 54.112 54.000 0.102 0.000 0.879 639 D CB 0.888 41.750 40.800 0.104 0.000 0.919 639 D HN 0.267 nan 8.370 nan 0.000 0.526 640 I N 3.373 123.980 120.570 0.062 0.000 2.517 640 I HA -0.016 4.153 4.170 -0.001 0.000 0.285 640 I C -0.938 175.141 176.117 -0.064 0.000 1.106 640 I CA -1.120 60.165 61.300 -0.025 0.000 1.402 640 I CB 1.151 39.122 38.000 -0.048 0.000 1.399 640 I HN -0.173 nan 8.210 nan 0.000 0.535 641 P HA 0.012 nan 4.420 nan 0.000 0.224 641 P C 1.022 178.242 177.300 -0.134 0.000 1.157 641 P CA 0.800 63.806 63.100 -0.158 0.000 0.799 641 P CB 0.520 32.011 31.700 -0.349 0.000 0.809 642 G N -0.754 107.951 108.800 -0.159 0.000 2.764 642 G HA2 0.211 4.171 3.960 -0.001 0.000 0.218 642 G HA3 0.211 4.171 3.960 -0.001 0.000 0.218 642 G C -0.111 174.735 174.900 -0.091 0.000 1.304 642 G CA 0.367 45.395 45.100 -0.120 0.000 0.847 642 G HN 0.407 nan 8.290 nan 0.000 0.610 643 S N -0.779 114.859 115.700 -0.104 0.000 2.536 643 S HA 0.395 4.865 4.470 -0.001 0.000 0.271 643 S C -0.649 173.886 174.600 -0.108 0.000 1.134 643 S CA -0.605 57.541 58.200 -0.090 0.000 0.897 643 S CB 1.802 64.948 63.200 -0.089 0.000 1.094 643 S HN 0.152 nan 8.310 nan 0.000 0.473 644 N N 2.464 121.115 118.700 -0.083 0.000 2.268 644 N HA 0.138 4.878 4.740 -0.001 0.000 0.204 644 N C -0.237 175.219 175.510 -0.090 0.000 1.124 644 N CA 0.004 53.002 53.050 -0.086 0.000 0.838 644 N CB 0.316 38.783 38.487 -0.033 0.000 0.994 644 N HN 0.748 nan 8.380 nan 0.000 0.489 645 E N 0.070 120.207 120.200 -0.105 0.000 2.109 645 E HA 0.283 4.633 4.350 -0.001 0.000 0.278 645 E C -0.945 175.536 176.600 -0.199 0.000 0.954 645 E CA -0.226 56.107 56.400 -0.111 0.000 0.779 645 E CB 0.927 30.579 29.700 -0.079 0.000 1.093 645 E HN 0.067 nan 8.360 nan 0.000 0.401 646 T N 2.157 116.565 114.554 -0.243 0.000 2.647 646 T HA 0.755 5.105 4.350 -0.001 0.000 0.295 646 T C -0.691 173.751 174.700 -0.429 0.000 1.126 646 T CA 0.424 62.241 62.100 -0.473 0.000 1.040 646 T CB 1.254 69.827 68.868 -0.491 0.000 1.472 646 T HN 0.898 nan 8.240 nan 0.000 0.500 647 G N 0.555 108.949 108.800 -0.678 0.000 2.675 647 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.686 647 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.686 647 G C 0.248 175.092 174.900 -0.094 0.000 1.215 647 G CA -0.130 44.838 45.100 -0.220 0.000 0.777 647 G HN 1.087 nan 8.290 nan 0.000 0.638 648 L N 0.235 121.568 121.223 0.183 0.000 2.081 648 L HA 0.157 4.497 4.340 -0.001 0.000 0.212 648 L C 1.987 178.643 176.870 -0.355 0.000 1.080 648 L CA 2.463 57.325 54.840 0.037 0.000 0.754 648 L CB -0.384 41.667 42.059 -0.014 0.000 0.893 648 L HN 0.570 nan 8.230 nan 0.000 0.433 649 F N -0.897 119.079 119.950 0.042 0.000 2.708 649 F HA 0.284 4.811 4.527 -0.001 0.000 0.300 649 F C 0.952 176.735 175.800 -0.028 0.000 1.118 649 F CA -0.555 57.448 58.000 0.005 0.000 1.307 649 F CB -0.199 38.787 39.000 -0.023 0.000 0.986 649 F HN -0.006 nan 8.300 nan 0.000 0.522 650 N N 1.567 120.276 118.700 0.014 0.000 2.735 650 N HA -0.195 4.545 4.740 -0.001 0.000 0.248 650 N C -0.109 175.404 175.510 0.004 0.000 1.083 650 N CA 1.326 54.354 53.050 -0.037 0.000 0.703 650 N CB -1.078 37.394 38.487 -0.025 0.000 1.005 650 N HN 0.549 nan 8.380 nan 0.000 0.550 651 D N -1.337 119.078 120.400 0.024 0.000 2.535 651 D HA 0.121 4.761 4.640 -0.001 0.000 0.229 651 D C 0.067 176.383 176.300 0.028 0.000 1.238 651 D CA 0.077 54.097 54.000 0.035 0.000 0.824 651 D CB 0.196 41.020 40.800 0.040 0.000 1.045 651 D HN 0.386 nan 8.370 nan 0.000 0.500 652 E N 0.007 120.207 120.200 0.001 0.000 2.299 652 E HA 0.480 4.829 4.350 -0.001 0.000 0.265 652 E C -0.378 176.230 176.600 0.012 0.000 0.911 652 E CA -0.965 55.450 56.400 0.024 0.000 0.789 652 E CB 1.693 31.400 29.700 0.012 0.000 1.246 652 E HN 0.118 nan 8.360 nan 0.000 0.427 653 T N -1.912 112.689 114.554 0.080 0.000 2.928 653 T HA 0.220 4.570 4.350 -0.001 0.000 0.284 653 T C 1.064 175.760 174.700 -0.007 0.000 1.008 653 T CA -0.815 61.310 62.100 0.041 0.000 1.057 653 T CB 1.314 70.237 68.868 0.091 0.000 1.018 653 T HN 0.173 nan 8.240 nan 0.000 0.493 654 V N 0.493 120.342 119.914 -0.108 0.000 2.323 654 V HA 0.152 4.272 4.120 -0.001 0.000 0.244 654 V C 0.385 176.342 176.094 -0.229 0.000 1.041 654 V CA 1.117 63.260 62.300 -0.262 0.000 1.025 654 V CB -0.646 30.912 31.823 -0.441 0.000 0.656 654 V HN 0.852 nan 8.190 nan 0.000 0.451 655 F N -0.795 119.131 119.950 -0.040 0.000 2.518 655 F HA 0.685 5.212 4.527 -0.001 0.000 0.323 655 F C 0.279 176.030 175.800 -0.081 0.000 1.129 655 F CA -1.015 56.947 58.000 -0.063 0.000 0.920 655 F CB 1.273 40.231 39.000 -0.070 0.000 1.160 655 F HN 0.016 nan 8.300 nan 0.000 0.440 656 A N 3.857 126.689 122.820 0.020 0.000 2.511 656 A HA 0.143 4.463 4.320 -0.001 0.000 0.242 656 A C 0.814 178.404 177.584 0.009 0.000 1.069 656 A CA 0.005 51.981 52.037 -0.103 0.000 0.763 656 A CB 0.706 19.453 19.000 -0.422 0.000 1.001 656 A HN 1.017 nan 8.150 nan 0.000 0.498 657 K N 0.548 120.971 120.400 0.038 0.000 2.159 657 K HA 0.020 4.340 4.320 -0.001 0.000 0.210 657 K C 0.463 177.088 176.600 0.042 0.000 1.026 657 K CA 0.959 57.274 56.287 0.048 0.000 0.959 657 K CB 0.151 32.684 32.500 0.054 0.000 0.890 657 K HN 0.722 nan 8.250 nan 0.000 0.459 658 D N -0.235 120.198 120.400 0.054 0.000 2.379 658 D HA -0.005 4.634 4.640 -0.001 0.000 0.218 658 D C 0.332 176.678 176.300 0.075 0.000 1.006 658 D CA 0.732 54.764 54.000 0.054 0.000 0.893 658 D CB 0.963 41.796 40.800 0.055 0.000 1.019 658 D HN 0.359 nan 8.370 nan 0.000 0.503 659 T N -0.716 113.904 114.554 0.110 0.000 2.916 659 T HA 0.522 4.872 4.350 -0.001 0.000 0.305 659 T C -0.619 174.220 174.700 0.232 0.000 1.119 659 T CA -0.850 61.350 62.100 0.168 0.000 1.008 659 T CB 2.117 71.097 68.868 0.187 0.000 1.129 659 T HN -0.128 nan 8.240 nan 0.000 0.480 660 V N 1.349 121.447 119.914 0.306 0.000 2.547 660 V HA 0.840 4.959 4.120 -0.001 0.000 0.299 660 V C 0.740 177.108 176.094 0.456 0.000 1.040 660 V CA -0.091 62.483 62.300 0.457 0.000 0.913 660 V CB 1.184 33.234 31.823 0.378 0.000 0.992 660 V HN 1.200 nan 8.190 nan 0.000 0.449 661 T N -1.308 113.490 114.554 0.407 0.000 3.145 661 T HA 0.411 4.760 4.350 -0.001 0.000 0.281 661 T C 0.204 174.851 174.700 -0.089 0.000 1.003 661 T CA 0.360 62.473 62.100 0.021 0.000 0.901 661 T CB -0.678 68.120 68.868 -0.116 0.000 1.112 661 T HN 1.704 nan 8.240 nan 0.000 0.535 662 C N -0.857 118.443 119.300 0.001 0.000 3.292 662 C HA 0.754 5.214 4.460 -0.001 0.000 0.338 662 C C -0.468 174.572 174.990 0.083 0.000 1.323 662 C CA -1.218 57.802 59.018 0.004 0.000 1.232 662 C CB 0.868 28.577 27.740 -0.052 0.000 1.517 662 C HN 0.150 nan 8.230 nan 0.000 0.470 663 V N 2.688 122.636 119.914 0.056 0.000 2.529 663 V HA 0.520 4.639 4.120 -0.001 0.000 0.292 663 V C 1.575 177.730 176.094 0.101 0.000 1.028 663 V CA 2.293 64.632 62.300 0.066 0.000 1.074 663 V CB 0.384 32.229 31.823 0.037 0.000 0.958 663 V HN 2.320 nan 8.190 nan 0.000 0.481 664 G N 3.090 111.967 108.800 0.130 0.000 2.176 664 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.232 664 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.232 664 G C 0.260 175.285 174.900 0.208 0.000 0.986 664 G CA 0.245 45.432 45.100 0.146 0.000 0.643 664 G HN 0.922 nan 8.290 nan 0.000 0.522 665 H N 0.629 119.762 119.070 0.105 0.000 3.046 665 H HA 0.354 4.910 4.556 -0.001 0.000 0.303 665 H C 0.852 176.266 175.328 0.145 0.000 1.002 665 H CA -0.535 55.584 56.048 0.118 0.000 1.460 665 H CB 0.176 30.010 29.762 0.120 0.000 1.493 665 H HN 0.275 nan 8.280 nan 0.000 0.559 666 I N 7.439 128.167 120.570 0.265 0.000 2.581 666 I HA -0.156 4.014 4.170 -0.001 0.000 0.285 666 I C 1.027 177.194 176.117 0.083 0.000 1.129 666 I CA 0.398 61.810 61.300 0.186 0.000 1.397 666 I CB 0.569 38.727 38.000 0.263 0.000 1.399 666 I HN 0.696 nan 8.210 nan 0.000 0.537 667 I N 4.680 125.283 120.570 0.053 0.000 2.927 667 I HA 0.259 4.428 4.170 -0.001 0.000 0.268 667 I C 1.254 177.236 176.117 -0.225 0.000 1.153 667 I CA 0.348 61.640 61.300 -0.014 0.000 1.459 667 I CB 0.156 38.186 38.000 0.051 0.000 1.149 667 I HN 0.760 nan 8.210 nan 0.000 0.443 668 G N 0.223 108.785 108.800 -0.396 0.000 2.494 668 G HA2 0.717 4.676 3.960 -0.001 0.000 0.308 668 G HA3 0.717 4.676 3.960 -0.001 0.000 0.308 668 G C -2.066 172.431 174.900 -0.671 0.000 1.263 668 G CA 0.149 44.538 45.100 -1.186 0.000 0.840 668 G HN 0.211 nan 8.290 nan 0.000 0.479 669 A N -1.234 121.144 122.820 -0.736 0.000 2.566 669 A HA 0.728 5.047 4.320 -0.001 0.000 0.297 669 A C -1.161 176.343 177.584 -0.133 0.000 1.059 669 A CA -0.390 51.521 52.037 -0.209 0.000 0.691 669 A CB 1.623 20.606 19.000 -0.028 0.000 1.282 669 A HN 1.497 nan 8.150 nan 0.000 0.401 670 V N 1.570 121.552 119.914 0.113 0.000 2.567 670 V HA 0.535 4.655 4.120 -0.001 0.000 0.289 670 V C -0.102 176.011 176.094 0.032 0.000 1.049 670 V CA -0.317 62.082 62.300 0.165 0.000 0.969 670 V CB 1.605 33.614 31.823 0.310 0.000 0.995 670 V HN 0.699 nan 8.190 nan 0.000 0.471 671 V N 3.521 123.375 119.914 -0.099 0.000 2.555 671 V HA 0.940 5.059 4.120 -0.001 0.000 0.302 671 V C 0.161 176.155 176.094 -0.166 0.000 1.038 671 V CA -0.176 62.062 62.300 -0.104 0.000 0.887 671 V CB 1.392 33.129 31.823 -0.143 0.000 0.991 671 V HN 1.103 nan 8.190 nan 0.000 0.434 672 A N 2.707 125.529 122.820 0.003 0.000 2.583 672 A HA 0.703 5.023 4.320 -0.001 0.000 0.289 672 A C 0.293 177.989 177.584 0.187 0.000 1.151 672 A CA -0.039 52.035 52.037 0.061 0.000 0.695 672 A CB 1.477 20.573 19.000 0.159 0.000 1.290 672 A HN 0.755 nan 8.150 nan 0.000 0.419 673 D N -0.422 120.106 120.400 0.213 0.000 2.323 673 D HA 0.059 4.699 4.640 -0.001 0.000 0.209 673 D C 0.687 177.183 176.300 0.327 0.000 0.973 673 D CA 1.592 55.749 54.000 0.261 0.000 0.874 673 D CB -0.154 40.766 40.800 0.200 0.000 0.930 673 D HN 0.756 nan 8.370 nan 0.000 0.521 674 T N -4.536 110.099 114.554 0.135 0.000 2.896 674 T HA 0.426 4.776 4.350 -0.001 0.000 0.297 674 T C -2.397 172.020 174.700 -0.471 0.000 1.108 674 T CA -1.610 60.262 62.100 -0.380 0.000 1.004 674 T CB 2.800 71.403 68.868 -0.443 0.000 1.159 674 T HN -0.363 nan 8.240 nan 0.000 0.499 675 P HA -0.028 nan 4.420 nan 0.000 0.218 675 P C 0.984 178.163 177.300 -0.202 0.000 1.149 675 P CA 1.139 64.004 63.100 -0.393 0.000 0.817 675 P CB 0.184 31.641 31.700 -0.405 0.000 0.785 676 E N -0.953 119.087 120.200 -0.266 0.000 2.077 676 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 676 E C 2.166 178.724 176.600 -0.070 0.000 0.989 676 E CA 1.193 57.484 56.400 -0.182 0.000 0.800 676 E CB -0.881 28.670 29.700 -0.247 0.000 0.746 676 E HN 0.405 nan 8.360 nan 0.000 0.452 677 H N -0.367 118.674 119.070 -0.048 0.000 2.395 677 H HA 0.138 4.693 4.556 -0.001 0.000 0.299 677 H C 1.950 177.298 175.328 0.034 0.000 1.070 677 H CA 1.211 57.263 56.048 0.007 0.000 1.356 677 H CB -0.537 29.245 29.762 0.033 0.000 1.401 677 H HN 0.226 nan 8.280 nan 0.000 0.524 678 A N 0.933 123.842 122.820 0.147 0.000 1.902 678 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 678 A C 2.380 179.987 177.584 0.039 0.000 1.181 678 A CA 1.736 53.846 52.037 0.121 0.000 0.623 678 A CB -0.404 18.673 19.000 0.129 0.000 0.818 678 A HN 0.528 nan 8.150 nan 0.000 0.443 679 E N -0.406 119.771 120.200 -0.038 0.000 2.051 679 E HA -0.239 4.110 4.350 -0.001 0.000 0.192 679 E C 2.302 178.696 176.600 -0.343 0.000 0.991 679 E CA 1.242 57.519 56.400 -0.204 0.000 0.799 679 E CB -0.172 29.434 29.700 -0.157 0.000 0.748 679 E HN 0.571 nan 8.360 nan 0.000 0.449 680 R N -0.283 120.149 120.500 -0.112 0.000 2.092 680 R HA -0.090 4.249 4.340 -0.001 0.000 0.231 680 R C 2.247 178.550 176.300 0.005 0.000 1.119 680 R CA 1.143 57.223 56.100 -0.033 0.000 0.970 680 R CB -0.189 30.154 30.300 0.071 0.000 0.864 680 R HN 0.225 nan 8.270 nan 0.000 0.440 681 A N 0.511 123.363 122.820 0.055 0.000 1.930 681 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 681 A C 2.281 179.917 177.584 0.088 0.000 1.175 681 A CA 1.414 53.510 52.037 0.098 0.000 0.627 681 A CB -0.569 18.600 19.000 0.282 0.000 0.815 681 A HN 0.471 nan 8.150 nan 0.000 0.443 682 A N -0.503 122.356 122.820 0.065 0.000 1.908 682 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 682 A C 1.902 179.569 177.584 0.139 0.000 1.181 682 A CA 1.744 53.839 52.037 0.096 0.000 0.627 682 A CB -1.105 17.931 19.000 0.060 0.000 0.818 682 A HN 0.762 nan 8.150 nan 0.000 0.445 683 H N -2.095 117.017 119.070 0.070 0.000 2.456 683 H HA 0.002 4.557 4.556 -0.001 0.000 0.296 683 H C 1.421 176.764 175.328 0.024 0.000 1.079 683 H CA 0.860 56.938 56.048 0.050 0.000 1.322 683 H CB 0.203 29.993 29.762 0.048 0.000 1.388 683 H HN 0.315 nan 8.280 nan 0.000 0.538 684 V N 1.208 121.197 119.914 0.124 0.000 3.621 684 V HA 0.023 4.143 4.120 -0.001 0.000 0.285 684 V C 0.159 176.234 176.094 -0.032 0.000 1.346 684 V CA 0.126 62.447 62.300 0.035 0.000 1.104 684 V CB 0.474 32.306 31.823 0.015 0.000 0.913 684 V HN 0.032 nan 8.190 nan 0.000 0.432 685 V N 1.841 121.739 119.914 -0.027 0.000 2.521 685 V HA 0.159 4.279 4.120 -0.001 0.000 0.286 685 V C 0.212 176.247 176.094 -0.099 0.000 1.034 685 V CA -0.058 62.171 62.300 -0.118 0.000 1.045 685 V CB 1.003 32.742 31.823 -0.141 0.000 0.974 685 V HN 0.355 nan 8.190 nan 0.000 0.480 686 K N 4.190 124.504 120.400 -0.145 0.000 2.281 686 K HA 0.545 4.864 4.320 -0.001 0.000 0.272 686 K C -0.879 175.627 176.600 -0.158 0.000 1.048 686 K CA -0.153 56.068 56.287 -0.110 0.000 0.898 686 K CB 1.574 34.015 32.500 -0.097 0.000 1.128 686 K HN 0.479 nan 8.250 nan 0.000 0.460 687 V N 2.886 122.706 119.914 -0.156 0.000 2.435 687 V HA 0.384 4.504 4.120 -0.001 0.000 0.290 687 V C -0.149 175.705 176.094 -0.399 0.000 1.030 687 V CA -0.778 61.326 62.300 -0.325 0.000 0.881 687 V CB 1.911 33.477 31.823 -0.429 0.000 0.983 687 V HN 0.707 nan 8.190 nan 0.000 0.445 688 T N 4.941 119.256 114.554 -0.399 0.000 2.794 688 T HA 0.664 5.014 4.350 -0.001 0.000 0.280 688 T C -0.953 173.547 174.700 -0.334 0.000 0.987 688 T CA -0.090 61.860 62.100 -0.249 0.000 0.993 688 T CB 0.540 69.336 68.868 -0.120 0.000 0.939 688 T HN 0.453 nan 8.240 nan 0.000 0.449 689 Y N 0.863 121.161 120.300 -0.004 0.000 2.549 689 Y HA 0.534 5.084 4.550 -0.001 0.000 0.339 689 Y C 0.501 176.396 175.900 -0.009 0.000 1.053 689 Y CA -1.288 56.812 58.100 -0.001 0.000 1.105 689 Y CB 1.451 39.916 38.460 0.008 0.000 1.258 689 Y HN 0.517 nan 8.280 nan 0.000 0.478 690 E N 1.820 122.116 120.200 0.160 0.000 2.145 690 E HA 0.194 4.544 4.350 -0.001 0.000 0.262 690 E C -1.457 175.167 176.600 0.040 0.000 0.883 690 E CA -0.831 55.613 56.400 0.075 0.000 0.748 690 E CB 0.675 30.393 29.700 0.030 0.000 1.140 690 E HN 0.578 nan 8.360 nan 0.000 0.417 691 D N 3.664 124.072 120.400 0.014 0.000 2.488 691 D HA 0.130 4.769 4.640 -0.001 0.000 0.238 691 D C -0.096 176.149 176.300 -0.091 0.000 1.138 691 D CA 0.603 54.579 54.000 -0.040 0.000 0.873 691 D CB 0.686 41.465 40.800 -0.037 0.000 1.183 691 D HN 0.396 nan 8.370 nan 0.000 0.458 692 L N 3.151 124.263 121.223 -0.185 0.000 2.303 692 L HA 0.466 4.806 4.340 -0.001 0.000 0.266 692 L C -2.192 174.590 176.870 -0.148 0.000 1.011 692 L CA -2.049 52.627 54.840 -0.274 0.000 0.818 692 L CB 1.584 43.233 42.059 -0.683 0.000 1.326 692 L HN 0.165 nan 8.230 nan 0.000 0.435 693 P HA 0.254 nan 4.420 nan 0.000 0.271 693 P C -1.263 176.128 177.300 0.152 0.000 1.216 693 P CA -0.249 62.870 63.100 0.031 0.000 0.776 693 P CB 0.950 32.661 31.700 0.019 0.000 0.881 694 A N 3.348 126.221 122.820 0.088 0.000 2.337 694 A HA 0.725 5.045 4.320 -0.001 0.000 0.331 694 A C -0.553 177.022 177.584 -0.015 0.000 1.137 694 A CA -0.799 51.281 52.037 0.072 0.000 0.807 694 A CB 0.653 19.680 19.000 0.045 0.000 1.250 694 A HN 0.494 nan 8.150 nan 0.000 0.468 695 I N 2.672 123.201 120.570 -0.068 0.000 2.382 695 I HA 0.305 4.474 4.170 -0.001 0.000 0.285 695 I C -0.005 176.038 176.117 -0.122 0.000 1.007 695 I CA 0.037 61.274 61.300 -0.106 0.000 1.142 695 I CB 1.414 39.326 38.000 -0.146 0.000 1.289 695 I HN 0.699 nan 8.210 nan 0.000 0.453 696 I N 2.928 123.428 120.570 -0.118 0.000 3.443 696 I HA 0.033 4.202 4.170 -0.001 0.000 0.277 696 I C 1.124 177.151 176.117 -0.150 0.000 1.169 696 I CA 0.440 61.654 61.300 -0.142 0.000 1.419 696 I CB 0.473 38.392 38.000 -0.135 0.000 1.331 696 I HN 0.553 nan 8.210 nan 0.000 0.458 697 T N -0.971 113.508 114.554 -0.125 0.000 2.899 697 T HA 0.389 4.739 4.350 -0.001 0.000 0.284 697 T C 1.249 175.894 174.700 -0.092 0.000 1.004 697 T CA -0.508 61.526 62.100 -0.110 0.000 1.043 697 T CB 1.731 70.534 68.868 -0.108 0.000 1.013 697 T HN 0.048 nan 8.240 nan 0.000 0.518 698 I N 0.857 121.398 120.570 -0.048 0.000 2.151 698 I HA -0.226 3.943 4.170 -0.001 0.000 0.243 698 I C 2.545 178.606 176.117 -0.093 0.000 1.080 698 I CA 1.644 62.929 61.300 -0.026 0.000 1.339 698 I CB -0.484 37.556 38.000 0.067 0.000 1.039 698 I HN 0.702 nan 8.210 nan 0.000 0.409 699 E N 0.988 121.128 120.200 -0.100 0.000 2.070 699 E HA -0.243 4.107 4.350 -0.001 0.000 0.197 699 E C 1.782 178.312 176.600 -0.116 0.000 1.004 699 E CA 1.495 57.827 56.400 -0.113 0.000 0.805 699 E CB -0.532 29.112 29.700 -0.094 0.000 0.744 699 E HN 0.431 nan 8.360 nan 0.000 0.451 700 D N 0.268 120.601 120.400 -0.112 0.000 2.116 700 D HA -0.182 4.458 4.640 -0.001 0.000 0.193 700 D C 1.872 178.073 176.300 -0.165 0.000 0.998 700 D CA 1.807 55.734 54.000 -0.120 0.000 0.836 700 D CB -0.453 40.279 40.800 -0.112 0.000 0.951 700 D HN 0.246 nan 8.370 nan 0.000 0.449 701 A N 0.599 123.303 122.820 -0.194 0.000 1.902 701 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 701 A C 2.434 179.763 177.584 -0.424 0.000 1.181 701 A CA 0.963 52.812 52.037 -0.313 0.000 0.623 701 A CB -0.704 18.132 19.000 -0.273 0.000 0.818 701 A HN 0.202 nan 8.150 nan 0.000 0.443 702 I N -0.546 119.882 120.570 -0.237 0.000 2.179 702 I HA -0.247 3.922 4.170 -0.001 0.000 0.242 702 I C 2.488 178.540 176.117 -0.109 0.000 1.088 702 I CA 1.863 63.104 61.300 -0.098 0.000 1.357 702 I CB -0.195 37.727 38.000 -0.129 0.000 1.051 702 I HN 0.271 nan 8.210 nan 0.000 0.409 703 K N 1.260 121.588 120.400 -0.120 0.000 2.211 703 K HA -0.139 4.181 4.320 -0.001 0.000 0.204 703 K C 1.378 177.914 176.600 -0.107 0.000 1.047 703 K CA 1.571 57.804 56.287 -0.089 0.000 0.935 703 K CB -0.193 32.259 32.500 -0.079 0.000 0.728 703 K HN 0.294 nan 8.250 nan 0.000 0.452 704 N N 0.689 119.284 118.700 -0.175 0.000 2.230 704 N HA 0.037 4.777 4.740 -0.001 0.000 0.202 704 N C -0.782 174.581 175.510 -0.244 0.000 1.119 704 N CA 0.271 53.213 53.050 -0.181 0.000 0.851 704 N CB 0.120 38.498 38.487 -0.182 0.000 0.990 704 N HN 0.243 nan 8.380 nan 0.000 0.497 705 N N 0.209 118.715 118.700 -0.324 0.000 2.716 705 N HA -0.182 4.558 4.740 -0.001 0.000 0.250 705 N C -0.692 174.424 175.510 -0.657 0.000 1.033 705 N CA 0.423 53.232 53.050 -0.403 0.000 0.727 705 N CB -1.140 37.321 38.487 -0.045 0.000 0.950 705 N HN -0.009 nan 8.380 nan 0.000 0.541 706 S N 0.558 115.714 115.700 -0.908 0.000 2.955 706 S HA 0.491 4.961 4.470 -0.001 0.000 0.294 706 S C -0.608 173.474 174.600 -0.864 0.000 1.198 706 S CA -0.550 57.244 58.200 -0.677 0.000 1.008 706 S CB -0.222 62.694 63.200 -0.473 0.000 1.279 706 S HN 0.293 nan 8.310 nan 0.000 0.508 707 F N 2.260 122.097 119.950 -0.188 0.000 2.579 707 F HA 0.470 4.997 4.527 -0.001 0.000 0.324 707 F C -0.384 175.264 175.800 -0.252 0.000 1.058 707 F CA -1.337 56.544 58.000 -0.198 0.000 0.944 707 F CB 1.194 40.161 39.000 -0.055 0.000 1.245 707 F HN 0.279 nan 8.300 nan 0.000 0.477 708 Y N 1.297 121.708 120.300 0.185 0.000 2.365 708 Y HA 0.466 5.015 4.550 -0.001 0.000 0.340 708 Y C 0.930 176.868 175.900 0.064 0.000 1.016 708 Y CA 0.182 58.328 58.100 0.077 0.000 1.196 708 Y CB 0.740 39.215 38.460 0.024 0.000 1.167 708 Y HN 0.908 nan 8.280 nan 0.000 0.509 709 G N 2.210 111.126 108.800 0.193 0.000 2.601 709 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.252 709 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.252 709 G C -0.404 174.541 174.900 0.076 0.000 1.294 709 G CA -0.285 44.873 45.100 0.097 0.000 0.912 709 G HN 0.969 nan 8.290 nan 0.000 0.574 710 S N -1.060 114.658 115.700 0.030 0.000 2.726 710 S HA 0.679 5.149 4.470 -0.001 0.000 0.308 710 S C -0.038 174.522 174.600 -0.067 0.000 1.115 710 S CA 0.279 58.472 58.200 -0.011 0.000 0.965 710 S CB 2.067 65.265 63.200 -0.004 0.000 1.145 710 S HN 1.128 nan 8.310 nan 0.000 0.532 711 E N 0.245 120.379 120.200 -0.110 0.000 2.558 711 E HA 0.044 4.393 4.350 -0.001 0.000 0.255 711 E C -0.934 175.586 176.600 -0.134 0.000 0.968 711 E CA 0.012 56.322 56.400 -0.150 0.000 0.939 711 E CB 0.179 29.800 29.700 -0.131 0.000 0.921 711 E HN 0.473 nan 8.360 nan 0.000 0.477 712 L N 4.689 125.794 121.223 -0.197 0.000 2.375 712 L HA 0.408 4.747 4.340 -0.001 0.000 0.271 712 L C 0.170 176.967 176.870 -0.121 0.000 1.107 712 L CA -0.128 54.560 54.840 -0.253 0.000 0.806 712 L CB 1.043 42.837 42.059 -0.443 0.000 1.146 712 L HN 0.545 nan 8.230 nan 0.000 0.447 713 K N 3.205 123.602 120.400 -0.005 0.000 2.543 713 K HA 0.565 4.885 4.320 -0.001 0.000 0.255 713 K C -1.738 175.026 176.600 0.274 0.000 0.934 713 K CA -0.527 55.827 56.287 0.111 0.000 0.810 713 K CB 1.906 34.455 32.500 0.081 0.000 1.315 713 K HN 0.464 nan 8.250 nan 0.000 0.433 714 I N 2.911 123.628 120.570 0.245 0.000 2.418 714 I HA 0.317 4.487 4.170 -0.001 0.000 0.287 714 I C -0.848 175.401 176.117 0.221 0.000 1.008 714 I CA -0.614 60.847 61.300 0.269 0.000 1.104 714 I CB 2.020 40.197 38.000 0.296 0.000 1.264 714 I HN 0.631 nan 8.210 nan 0.000 0.438 715 E N 7.089 127.400 120.200 0.185 0.000 2.272 715 E HA 0.507 4.856 4.350 -0.001 0.000 0.269 715 E C -1.426 175.249 176.600 0.126 0.000 0.877 715 E CA -0.816 55.669 56.400 0.141 0.000 0.755 715 E CB 2.372 32.135 29.700 0.105 0.000 1.192 715 E HN 0.489 nan 8.360 nan 0.000 0.422 716 K N 3.089 123.554 120.400 0.107 0.000 2.464 716 K HA 0.634 4.954 4.320 -0.001 0.000 0.253 716 K C -0.225 176.399 176.600 0.039 0.000 0.933 716 K CA 0.138 56.473 56.287 0.079 0.000 0.801 716 K CB 1.671 34.232 32.500 0.101 0.000 1.271 716 K HN 0.757 nan 8.250 nan 0.000 0.430 717 G N 2.221 111.034 108.800 0.021 0.000 2.527 717 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.227 717 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.227 717 G C -1.363 173.535 174.900 -0.003 0.000 1.291 717 G CA 0.034 45.132 45.100 -0.003 0.000 0.904 717 G HN 0.662 nan 8.290 nan 0.000 0.577 718 D N 0.316 120.704 120.400 -0.020 0.000 2.421 718 D HA 0.506 5.145 4.640 -0.001 0.000 0.254 718 D C 1.541 177.825 176.300 -0.027 0.000 1.238 718 D CA -0.495 53.498 54.000 -0.011 0.000 0.919 718 D CB 0.949 41.742 40.800 -0.010 0.000 1.152 718 D HN 0.338 nan 8.370 nan 0.000 0.552 719 L N 2.791 124.014 121.223 -0.001 0.000 2.056 719 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 719 L C 2.457 179.382 176.870 0.092 0.000 1.078 719 L CA 0.726 55.569 54.840 0.006 0.000 0.749 719 L CB -0.039 42.083 42.059 0.105 0.000 0.901 719 L HN 0.325 nan 8.230 nan 0.000 0.433 720 K N 0.926 121.386 120.400 0.100 0.000 2.032 720 K HA -0.261 4.059 4.320 -0.001 0.000 0.209 720 K C 2.107 178.752 176.600 0.074 0.000 1.048 720 K CA 1.730 58.083 56.287 0.110 0.000 0.927 720 K CB -0.098 32.441 32.500 0.064 0.000 0.712 720 K HN 0.202 nan 8.250 nan 0.000 0.441 721 K N -0.372 120.042 120.400 0.024 0.000 2.057 721 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 721 K C 2.067 178.649 176.600 -0.030 0.000 1.049 721 K CA 1.646 57.932 56.287 -0.002 0.000 0.931 721 K CB -0.436 32.055 32.500 -0.015 0.000 0.714 721 K HN 0.230 nan 8.250 nan 0.000 0.440 722 G N 0.531 109.280 108.800 -0.086 0.000 2.459 722 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 722 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 722 G C 1.335 176.117 174.900 -0.196 0.000 1.183 722 G CA 0.852 45.838 45.100 -0.191 0.000 0.776 722 G HN 0.317 nan 8.290 nan 0.000 0.552 723 F N 1.315 121.234 119.950 -0.053 0.000 2.134 723 F HA -0.068 4.459 4.527 -0.001 0.000 0.299 723 F C 3.160 178.922 175.800 -0.063 0.000 1.097 723 F CA 1.139 59.101 58.000 -0.064 0.000 1.264 723 F CB -0.120 38.846 39.000 -0.058 0.000 1.001 723 F HN 0.071 nan 8.300 nan 0.000 0.479 724 S N -0.212 115.563 115.700 0.125 0.000 2.407 724 S HA -0.268 4.201 4.470 -0.001 0.000 0.235 724 S C 1.669 176.278 174.600 0.015 0.000 1.036 724 S CA 1.934 60.165 58.200 0.052 0.000 1.013 724 S CB -0.504 62.715 63.200 0.031 0.000 0.820 724 S HN 0.638 nan 8.310 nan 0.000 0.476 725 E N 0.480 120.677 120.200 -0.006 0.000 2.489 725 E HA 0.467 4.816 4.350 -0.001 0.000 0.204 725 E C 0.425 176.998 176.600 -0.044 0.000 1.006 725 E CA 0.137 56.521 56.400 -0.027 0.000 0.936 725 E CB 0.121 29.800 29.700 -0.035 0.000 1.002 725 E HN 0.293 nan 8.360 nan 0.000 0.488 726 A N 1.474 124.266 122.820 -0.047 0.000 2.492 726 A HA 0.041 4.361 4.320 -0.001 0.000 0.254 726 A C 0.489 178.005 177.584 -0.113 0.000 1.091 726 A CA -0.140 51.845 52.037 -0.087 0.000 0.768 726 A CB 0.270 19.225 19.000 -0.075 0.000 1.028 726 A HN 0.168 nan 8.150 nan 0.000 0.498 727 D N 1.332 121.643 120.400 -0.148 0.000 2.104 727 D HA -0.079 4.561 4.640 -0.001 0.000 0.194 727 D C 0.416 176.571 176.300 -0.241 0.000 0.994 727 D CA 1.506 55.413 54.000 -0.155 0.000 0.830 727 D CB 0.133 40.861 40.800 -0.121 0.000 0.959 727 D HN 0.673 nan 8.370 nan 0.000 0.452 728 N N -0.661 117.747 118.700 -0.486 0.000 2.405 728 N HA 0.394 5.133 4.740 -0.001 0.000 0.285 728 N C -1.043 174.064 175.510 -0.671 0.000 1.262 728 N CA -0.516 52.158 53.050 -0.627 0.000 0.773 728 N CB 3.212 41.159 38.487 -0.901 0.000 1.490 728 N HN -0.236 nan 8.380 nan 0.000 0.486 729 V N 0.900 120.611 119.914 -0.340 0.000 3.001 729 V HA 0.590 4.710 4.120 -0.001 0.000 0.314 729 V C -0.475 175.691 176.094 0.121 0.000 1.099 729 V CA -0.680 61.574 62.300 -0.077 0.000 0.989 729 V CB 2.374 34.174 31.823 -0.039 0.000 1.040 729 V HN 0.340 nan 8.190 nan 0.000 0.434 730 V N 2.139 122.225 119.914 0.288 0.000 2.623 730 V HA 0.693 4.812 4.120 -0.001 0.000 0.304 730 V C -0.331 175.842 176.094 0.133 0.000 1.054 730 V CA -0.328 62.129 62.300 0.261 0.000 0.882 730 V CB 2.190 34.246 31.823 0.389 0.000 1.002 730 V HN 1.042 nan 8.190 nan 0.000 0.424 731 S N 2.992 118.680 115.700 -0.020 0.000 2.568 731 S HA 1.034 5.503 4.470 -0.001 0.000 0.293 731 S C -0.263 174.086 174.600 -0.418 0.000 1.089 731 S CA -0.029 58.029 58.200 -0.237 0.000 0.945 731 S CB 2.439 65.533 63.200 -0.177 0.000 1.077 731 S HN 1.608 nan 8.310 nan 0.000 0.485 732 G N 0.212 108.493 108.800 -0.865 0.000 2.428 732 G HA2 0.493 4.453 3.960 -0.001 0.000 0.304 732 G HA3 0.493 4.453 3.960 -0.001 0.000 0.304 732 G C -2.157 172.412 174.900 -0.551 0.000 1.303 732 G CA -0.707 44.014 45.100 -0.633 0.000 0.825 732 G HN 0.890 nan 8.290 nan 0.000 0.484 733 E N -1.073 119.098 120.200 -0.048 0.000 2.266 733 E HA 0.696 5.045 4.350 -0.001 0.000 0.268 733 E C -1.851 174.975 176.600 0.376 0.000 0.879 733 E CA -0.752 55.757 56.400 0.182 0.000 0.762 733 E CB 2.469 32.244 29.700 0.126 0.000 1.199 733 E HN 0.487 nan 8.360 nan 0.000 0.422 734 L N 3.860 125.347 121.223 0.440 0.000 2.409 734 L HA 0.527 4.867 4.340 -0.001 0.000 0.262 734 L C -2.052 175.088 176.870 0.450 0.000 0.992 734 L CA -0.657 54.441 54.840 0.430 0.000 0.817 734 L CB 1.813 44.111 42.059 0.399 0.000 1.350 734 L HN 0.634 nan 8.230 nan 0.000 0.411 735 Y N 4.596 125.069 120.300 0.288 0.000 2.409 735 Y HA 0.711 5.260 4.550 -0.001 0.000 0.343 735 Y C -1.298 174.741 175.900 0.231 0.000 0.973 735 Y CA -0.927 57.325 58.100 0.254 0.000 1.064 735 Y CB 1.722 40.301 38.460 0.198 0.000 1.207 735 Y HN 0.620 nan 8.280 nan 0.000 0.452 736 I N 5.643 125.960 120.570 -0.421 0.000 2.418 736 I HA 0.670 4.839 4.170 -0.001 0.000 0.287 736 I C 0.108 175.770 176.117 -0.759 0.000 1.008 736 I CA -0.488 60.535 61.300 -0.462 0.000 1.104 736 I CB 1.050 38.873 38.000 -0.296 0.000 1.264 736 I HN 0.839 nan 8.210 nan 0.000 0.438 737 G N 4.474 112.982 108.800 -0.486 0.000 2.636 737 G HA2 0.430 4.389 3.960 -0.001 0.000 0.246 737 G HA3 0.430 4.389 3.960 -0.001 0.000 0.246 737 G C 0.394 175.203 174.900 -0.152 0.000 1.216 737 G CA 0.036 45.003 45.100 -0.221 0.000 0.854 737 G HN 0.870 nan 8.290 nan 0.000 0.572 738 G N -1.361 107.437 108.800 -0.003 0.000 2.485 738 G HA2 0.488 4.447 3.960 -0.001 0.000 0.260 738 G HA3 0.488 4.447 3.960 -0.001 0.000 0.260 738 G C -0.176 174.705 174.900 -0.031 0.000 1.459 738 G CA -0.144 44.956 45.100 0.000 0.000 1.060 738 G HN 0.742 nan 8.290 nan 0.000 0.546 739 Q N -1.385 118.414 119.800 -0.002 0.000 2.468 739 Q HA 0.229 4.568 4.340 -0.001 0.000 0.263 739 Q C -2.228 173.856 176.000 0.140 0.000 0.979 739 Q CA -0.620 55.195 55.803 0.020 0.000 0.932 739 Q CB 2.236 30.744 28.738 -0.383 0.000 1.462 739 Q HN 0.599 nan 8.270 nan 0.000 0.403 740 D N 0.029 120.502 120.400 0.122 0.000 2.210 740 D HA 0.212 4.851 4.640 -0.001 0.000 0.249 740 D C 0.562 176.936 176.300 0.124 0.000 1.078 740 D CA 0.058 54.039 54.000 -0.031 0.000 0.875 740 D CB 0.913 41.477 40.800 -0.393 0.000 1.175 740 D HN 0.569 nan 8.370 nan 0.000 0.440 741 H N 2.843 121.831 119.070 -0.137 0.000 2.387 741 H HA -0.019 4.536 4.556 -0.001 0.000 0.299 741 H C 0.527 175.651 175.328 -0.340 0.000 1.090 741 H CA 1.062 56.762 56.048 -0.580 0.000 1.332 741 H CB -0.185 29.055 29.762 -0.870 0.000 1.386 741 H HN 0.527 nan 8.280 nan 0.000 0.516 742 F N 0.543 120.233 119.950 -0.434 0.000 3.048 742 F HA -0.293 4.234 4.527 -0.001 0.000 0.269 742 F C -0.624 175.095 175.800 -0.135 0.000 0.960 742 F CA -0.508 57.346 58.000 -0.243 0.000 0.909 742 F CB -1.725 37.269 39.000 -0.010 0.000 0.837 742 F HN 0.154 nan 8.300 nan 0.000 0.768 743 Y N -0.701 119.770 120.300 0.285 0.000 2.904 743 Y HA 0.019 4.568 4.550 -0.001 0.000 0.336 743 Y C 1.141 177.119 175.900 0.130 0.000 1.263 743 Y CA -0.842 57.450 58.100 0.320 0.000 1.547 743 Y CB -0.033 38.517 38.460 0.151 0.000 1.272 743 Y HN 0.107 nan 8.280 nan 0.000 0.596 744 L N 1.250 122.673 121.223 0.333 0.000 2.131 744 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 744 L C 1.101 178.021 176.870 0.084 0.000 1.092 744 L CA 1.434 56.387 54.840 0.187 0.000 0.759 744 L CB -0.598 41.550 42.059 0.148 0.000 0.903 744 L HN 0.870 nan 8.230 nan 0.000 0.435 745 E N 0.747 120.982 120.200 0.058 0.000 2.115 745 E HA 0.157 4.506 4.350 -0.001 0.000 0.282 745 E C -0.056 176.518 176.600 -0.043 0.000 0.987 745 E CA -0.295 56.080 56.400 -0.041 0.000 0.797 745 E CB 1.054 30.677 29.700 -0.129 0.000 1.086 745 E HN 0.232 nan 8.360 nan 0.000 0.397 746 T N 1.479 116.026 114.554 -0.012 0.000 2.698 746 T HA 0.104 4.453 4.350 -0.001 0.000 0.295 746 T C 0.619 175.211 174.700 -0.181 0.000 1.007 746 T CA -0.514 61.578 62.100 -0.012 0.000 0.980 746 T CB 0.376 69.299 68.868 0.091 0.000 1.036 746 T HN 0.446 nan 8.240 nan 0.000 0.526 747 H N -1.015 117.965 119.070 -0.149 0.000 2.897 747 H HA 0.339 4.895 4.556 -0.001 0.000 0.347 747 H C -0.150 175.151 175.328 -0.046 0.000 1.068 747 H CA 0.044 56.008 56.048 -0.139 0.000 1.426 747 H CB 0.559 30.274 29.762 -0.078 0.000 1.410 747 H HN 0.672 nan 8.280 nan 0.000 0.597 748 C N 3.035 122.374 119.300 0.066 0.000 2.891 748 C HA 0.384 4.843 4.460 -0.001 0.000 0.342 748 C C -0.618 174.418 174.990 0.076 0.000 1.126 748 C CA -0.202 58.859 59.018 0.073 0.000 1.322 748 C CB 1.216 28.989 27.740 0.055 0.000 1.763 748 C HN 0.876 nan 8.230 nan 0.000 0.491 749 T N 5.868 120.474 114.554 0.087 0.000 2.916 749 T HA 0.567 4.917 4.350 -0.001 0.000 0.298 749 T C -0.924 173.836 174.700 0.100 0.000 1.031 749 T CA -0.187 61.966 62.100 0.089 0.000 0.993 749 T CB 1.132 70.042 68.868 0.069 0.000 1.045 749 T HN 0.561 nan 8.240 nan 0.000 0.454 750 I N 2.483 123.140 120.570 0.144 0.000 2.377 750 I HA 0.684 4.853 4.170 -0.001 0.000 0.293 750 I C 0.115 176.333 176.117 0.169 0.000 0.987 750 I CA -0.818 60.582 61.300 0.167 0.000 1.185 750 I CB 1.479 39.630 38.000 0.253 0.000 1.341 750 I HN 0.676 nan 8.210 nan 0.000 0.455 751 A N 7.774 130.661 122.820 0.111 0.000 2.318 751 A HA 0.765 5.085 4.320 -0.001 0.000 0.317 751 A C -0.748 176.890 177.584 0.090 0.000 1.159 751 A CA -0.478 51.605 52.037 0.076 0.000 0.799 751 A CB 0.791 19.816 19.000 0.043 0.000 1.194 751 A HN 0.515 nan 8.150 nan 0.000 0.479 752 I N 4.553 125.174 120.570 0.086 0.000 2.359 752 I HA 0.329 4.499 4.170 -0.001 0.000 0.284 752 I C -2.478 173.641 176.117 0.004 0.000 1.018 752 I CA -2.687 58.653 61.300 0.066 0.000 1.173 752 I CB 1.099 39.187 38.000 0.146 0.000 1.326 752 I HN 0.355 nan 8.210 nan 0.000 0.462 753 P HA 0.262 nan 4.420 nan 0.000 0.287 753 P C 0.088 177.357 177.300 -0.052 0.000 1.281 753 P CA -0.497 62.592 63.100 -0.017 0.000 0.781 753 P CB 1.494 33.187 31.700 -0.011 0.000 0.903 754 K N 2.265 122.643 120.400 -0.038 0.000 2.365 754 K HA 0.090 4.409 4.320 -0.001 0.000 0.197 754 K C 1.527 178.095 176.600 -0.054 0.000 1.042 754 K CA 0.932 57.190 56.287 -0.049 0.000 0.987 754 K CB -0.733 31.748 32.500 -0.031 0.000 0.779 754 K HN 0.828 nan 8.250 nan 0.000 0.484 755 G N 1.473 110.247 108.800 -0.044 0.000 2.175 755 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.244 755 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.244 755 G C -0.289 174.594 174.900 -0.029 0.000 0.982 755 G CA 0.023 45.095 45.100 -0.047 0.000 0.641 755 G HN 0.383 nan 8.290 nan 0.000 0.527 756 E N 0.334 120.523 120.200 -0.019 0.000 2.199 756 E HA 0.506 4.856 4.350 -0.001 0.000 0.265 756 E C 0.205 176.805 176.600 -0.001 0.000 0.882 756 E CA -0.811 55.582 56.400 -0.011 0.000 0.759 756 E CB 1.106 30.798 29.700 -0.014 0.000 1.148 756 E HN 0.151 nan 8.360 nan 0.000 0.412 757 E N 1.315 121.519 120.200 0.005 0.000 2.883 757 E HA -0.279 4.070 4.350 -0.001 0.000 0.271 757 E C 0.697 177.308 176.600 0.018 0.000 1.049 757 E CA 1.152 57.558 56.400 0.009 0.000 0.817 757 E CB -1.417 28.284 29.700 0.002 0.000 1.407 757 E HN 1.142 nan 8.360 nan 0.000 0.434 758 G N 0.123 108.943 108.800 0.034 0.000 2.162 758 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.260 758 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.260 758 G C 0.100 175.018 174.900 0.031 0.000 0.976 758 G CA 0.666 45.797 45.100 0.052 0.000 0.655 758 G HN 0.384 nan 8.290 nan 0.000 0.533 759 E N -0.237 119.971 120.200 0.013 0.000 2.414 759 E HA 0.465 4.815 4.350 -0.001 0.000 0.263 759 E C 0.337 176.936 176.600 -0.003 0.000 1.000 759 E CA 0.414 56.812 56.400 -0.002 0.000 0.914 759 E CB 0.643 30.337 29.700 -0.010 0.000 0.948 759 E HN 0.459 nan 8.360 nan 0.000 0.444 760 M N 2.577 122.168 119.600 -0.016 0.000 2.433 760 M HA 0.245 4.724 4.480 -0.001 0.000 0.290 760 M C -1.574 174.689 176.300 -0.061 0.000 1.173 760 M CA -0.477 54.810 55.300 -0.023 0.000 0.905 760 M CB 2.160 34.756 32.600 -0.006 0.000 1.692 760 M HN 0.402 nan 8.290 nan 0.000 0.462 761 E N 3.701 123.852 120.200 -0.082 0.000 2.199 761 E HA 0.619 4.969 4.350 -0.001 0.000 0.265 761 E C -2.069 174.367 176.600 -0.273 0.000 0.882 761 E CA -0.626 55.660 56.400 -0.189 0.000 0.759 761 E CB 1.490 31.088 29.700 -0.170 0.000 1.148 761 E HN 0.597 nan 8.360 nan 0.000 0.412 762 L N 4.359 125.352 121.223 -0.383 0.000 2.365 762 L HA 0.501 4.840 4.340 -0.001 0.000 0.273 762 L C -1.081 175.464 176.870 -0.542 0.000 1.000 762 L CA -0.441 54.208 54.840 -0.318 0.000 0.819 762 L CB 1.285 43.264 42.059 -0.135 0.000 1.284 762 L HN 0.519 nan 8.230 nan 0.000 0.418 763 F N 2.482 122.438 119.950 0.012 0.000 2.411 763 F HA 0.715 5.242 4.527 -0.001 0.000 0.352 763 F C -0.116 175.685 175.800 0.001 0.000 1.123 763 F CA -0.843 57.159 58.000 0.004 0.000 1.044 763 F CB 1.639 40.644 39.000 0.009 0.000 1.135 763 F HN 0.028 nan 8.300 nan 0.000 0.461 764 V N 1.635 121.612 119.914 0.106 0.000 2.841 764 V HA 0.315 4.434 4.120 -0.001 0.000 0.310 764 V C -0.354 175.755 176.094 0.025 0.000 1.090 764 V CA -1.004 61.327 62.300 0.052 0.000 0.930 764 V CB 2.203 34.029 31.823 0.005 0.000 1.014 764 V HN 0.666 nan 8.190 nan 0.000 0.425 765 S N 2.688 118.388 115.700 -0.000 0.000 3.483 765 S HA 0.426 4.895 4.470 -0.001 0.000 0.274 765 S C -0.115 174.415 174.600 -0.117 0.000 1.289 765 S CA -0.007 58.153 58.200 -0.066 0.000 0.938 765 S CB -0.397 62.739 63.200 -0.107 0.000 1.453 765 S HN 0.936 nan 8.310 nan 0.000 0.494 766 T N 2.836 117.339 114.554 -0.086 0.000 2.909 766 T HA 0.362 4.711 4.350 -0.001 0.000 0.299 766 T C 0.372 175.024 174.700 -0.081 0.000 1.073 766 T CA -0.528 61.522 62.100 -0.084 0.000 0.999 766 T CB 1.704 70.543 68.868 -0.047 0.000 1.098 766 T HN 0.514 nan 8.240 nan 0.000 0.477 767 Q N 1.703 121.459 119.800 -0.072 0.000 2.360 767 Q HA 0.230 4.569 4.340 -0.001 0.000 0.202 767 Q C 0.099 176.086 176.000 -0.022 0.000 0.915 767 Q CA 0.074 55.849 55.803 -0.045 0.000 0.943 767 Q CB 0.297 29.019 28.738 -0.026 0.000 1.064 767 Q HN 0.319 nan 8.270 nan 0.000 0.511 768 N N -0.203 118.472 118.700 -0.041 0.000 2.752 768 N HA 0.254 4.994 4.740 -0.001 0.000 0.260 768 N C -0.235 175.223 175.510 -0.087 0.000 1.562 768 N CA -0.031 52.987 53.050 -0.054 0.000 0.788 768 N CB 0.867 39.315 38.487 -0.065 0.000 1.192 768 N HN 0.085 nan 8.380 nan 0.000 0.503 769 A N 2.438 125.215 122.820 -0.072 0.000 1.933 769 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 769 A C 2.132 179.657 177.584 -0.097 0.000 1.175 769 A CA 1.185 53.174 52.037 -0.080 0.000 0.628 769 A CB -0.323 18.636 19.000 -0.070 0.000 0.814 769 A HN 0.660 nan 8.150 nan 0.000 0.444 770 M N -0.894 118.652 119.600 -0.090 0.000 2.065 770 M HA -0.183 4.297 4.480 -0.001 0.000 0.259 770 M C 1.851 178.045 176.300 -0.176 0.000 1.069 770 M CA 1.943 57.184 55.300 -0.100 0.000 1.110 770 M CB -0.170 32.389 32.600 -0.069 0.000 1.328 770 M HN 0.157 nan 8.290 nan 0.000 0.405 771 K N -0.209 120.030 120.400 -0.268 0.000 2.097 771 K HA -0.056 4.263 4.320 -0.001 0.000 0.205 771 K C 1.906 178.168 176.600 -0.565 0.000 1.050 771 K CA 1.881 57.832 56.287 -0.560 0.000 0.938 771 K CB -0.922 31.148 32.500 -0.717 0.000 0.718 771 K HN 0.449 nan 8.250 nan 0.000 0.442 772 T N 1.911 116.282 114.554 -0.305 0.000 2.635 772 T HA -0.232 4.117 4.350 -0.001 0.000 0.267 772 T C 1.943 176.585 174.700 -0.096 0.000 1.040 772 T CA 1.699 63.704 62.100 -0.158 0.000 1.156 772 T CB -0.159 68.652 68.868 -0.095 0.000 0.863 772 T HN 0.370 nan 8.240 nan 0.000 0.430 773 Q N 0.401 120.139 119.800 -0.103 0.000 2.050 773 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 773 Q C 2.549 178.528 176.000 -0.034 0.000 0.980 773 Q CA 1.675 57.439 55.803 -0.065 0.000 0.840 773 Q CB -0.229 28.468 28.738 -0.069 0.000 0.898 773 Q HN 0.394 nan 8.270 nan 0.000 0.424 774 S N -0.086 115.584 115.700 -0.050 0.000 2.368 774 S HA -0.088 4.382 4.470 -0.001 0.000 0.225 774 S C 1.537 176.249 174.600 0.187 0.000 1.030 774 S CA 0.942 59.161 58.200 0.031 0.000 0.999 774 S CB -0.239 62.965 63.200 0.006 0.000 0.844 774 S HN 0.367 nan 8.310 nan 0.000 0.459 775 F N 1.253 121.170 119.950 -0.055 0.000 2.146 775 F HA 0.011 4.538 4.527 -0.001 0.000 0.298 775 F C 2.393 178.147 175.800 -0.076 0.000 1.096 775 F CA -0.145 57.817 58.000 -0.063 0.000 1.275 775 F CB -1.407 37.559 39.000 -0.056 0.000 1.008 775 F HN 0.007 nan 8.300 nan 0.000 0.480 776 V N 0.324 120.311 119.914 0.122 0.000 2.255 776 V HA -0.320 3.800 4.120 -0.001 0.000 0.247 776 V C 2.701 178.788 176.094 -0.012 0.000 1.051 776 V CA 1.874 64.188 62.300 0.022 0.000 1.018 776 V CB -1.447 30.376 31.823 -0.000 0.000 0.641 776 V HN 0.317 nan 8.190 nan 0.000 0.445 777 A N -0.387 122.433 122.820 -0.000 0.000 1.908 777 A HA -0.317 4.003 4.320 -0.001 0.000 0.218 777 A C 2.354 179.918 177.584 -0.034 0.000 1.181 777 A CA 2.440 54.465 52.037 -0.021 0.000 0.627 777 A CB -0.549 18.445 19.000 -0.011 0.000 0.818 777 A HN 0.547 nan 8.150 nan 0.000 0.445 778 K N -1.166 119.227 120.400 -0.011 0.000 2.026 778 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 778 K C 2.170 178.719 176.600 -0.085 0.000 1.048 778 K CA 1.601 57.864 56.287 -0.040 0.000 0.929 778 K CB -0.234 32.248 32.500 -0.029 0.000 0.713 778 K HN 0.454 nan 8.250 nan 0.000 0.439 779 M N 1.118 120.659 119.600 -0.099 0.000 2.117 779 M HA -0.139 4.341 4.480 -0.001 0.000 0.262 779 M C 1.719 177.912 176.300 -0.178 0.000 1.065 779 M CA 1.567 56.781 55.300 -0.145 0.000 1.114 779 M CB -0.391 32.114 32.600 -0.158 0.000 1.361 779 M HN 0.239 nan 8.290 nan 0.000 0.408 780 L N -0.099 121.018 121.223 -0.177 0.000 2.291 780 L HA 0.020 4.359 4.340 -0.001 0.000 0.214 780 L C 1.327 178.070 176.870 -0.211 0.000 1.120 780 L CA 0.718 55.403 54.840 -0.258 0.000 0.799 780 L CB -0.766 41.176 42.059 -0.194 0.000 0.925 780 L HN 0.654 nan 8.230 nan 0.000 0.446 781 G N 0.543 109.263 108.800 -0.133 0.000 2.212 781 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.255 781 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.255 781 G C -0.251 174.609 174.900 -0.067 0.000 1.062 781 G CA 0.195 45.239 45.100 -0.092 0.000 0.815 781 G HN 0.138 nan 8.290 nan 0.000 0.497 782 V N 0.216 120.094 119.914 -0.059 0.000 2.914 782 V HA 0.714 4.834 4.120 -0.001 0.000 0.314 782 V C -1.921 174.155 176.094 -0.029 0.000 1.084 782 V CA -1.853 60.423 62.300 -0.039 0.000 0.963 782 V CB 2.352 34.152 31.823 -0.038 0.000 1.025 782 V HN 0.135 nan 8.190 nan 0.000 0.432 783 P HA 0.133 nan 4.420 nan 0.000 0.269 783 P C 0.809 178.096 177.300 -0.020 0.000 1.215 783 P CA -0.020 63.068 63.100 -0.020 0.000 0.780 783 P CB 0.649 32.338 31.700 -0.017 0.000 0.898 784 V N 1.454 121.356 119.914 -0.020 0.000 2.490 784 V HA -0.245 3.875 4.120 -0.001 0.000 0.250 784 V C 1.949 178.029 176.094 -0.023 0.000 1.061 784 V CA 2.253 64.540 62.300 -0.021 0.000 1.064 784 V CB -1.429 30.381 31.823 -0.021 0.000 0.670 784 V HN 0.683 nan 8.190 nan 0.000 0.461 785 N N 0.796 119.483 118.700 -0.021 0.000 2.519 785 N HA -0.196 4.544 4.740 -0.001 0.000 0.186 785 N C 1.559 177.057 175.510 -0.020 0.000 1.062 785 N CA 1.001 54.039 53.050 -0.020 0.000 0.910 785 N CB -0.433 38.044 38.487 -0.017 0.000 0.958 785 N HN 0.315 nan 8.380 nan 0.000 0.445 786 R N -0.153 120.335 120.500 -0.020 0.000 2.240 786 R HA 0.200 4.539 4.340 -0.001 0.000 0.203 786 R C 0.008 176.293 176.300 -0.026 0.000 1.011 786 R CA 0.108 56.197 56.100 -0.018 0.000 1.007 786 R CB 0.096 30.389 30.300 -0.013 0.000 0.911 786 R HN 0.289 nan 8.270 nan 0.000 0.468 787 I N 1.906 122.456 120.570 -0.033 0.000 2.378 787 I HA 0.246 4.415 4.170 -0.001 0.000 0.291 787 I C -0.399 175.682 176.117 -0.060 0.000 0.992 787 I CA -1.604 59.669 61.300 -0.044 0.000 1.154 787 I CB 1.427 39.404 38.000 -0.040 0.000 1.315 787 I HN -0.162 nan 8.210 nan 0.000 0.448 788 L N 8.417 129.589 121.223 -0.085 0.000 2.333 788 L HA 0.621 4.961 4.340 -0.001 0.000 0.280 788 L C -0.865 175.911 176.870 -0.157 0.000 1.004 788 L CA -0.431 54.345 54.840 -0.106 0.000 0.820 788 L CB 1.762 43.756 42.059 -0.108 0.000 1.247 788 L HN 0.274 nan 8.230 nan 0.000 0.416 789 V N 6.024 125.854 119.914 -0.140 0.000 2.448 789 V HA 0.627 4.746 4.120 -0.001 0.000 0.295 789 V C -0.152 175.849 176.094 -0.155 0.000 1.025 789 V CA -0.600 61.605 62.300 -0.158 0.000 0.859 789 V CB 1.672 33.429 31.823 -0.109 0.000 0.988 789 V HN 0.729 nan 8.190 nan 0.000 0.431 790 R N 3.300 123.682 120.500 -0.198 0.000 2.534 790 R HA 0.787 5.127 4.340 -0.001 0.000 0.301 790 R C -1.600 174.692 176.300 -0.013 0.000 0.961 790 R CA -0.663 55.372 56.100 -0.109 0.000 0.871 790 R CB 2.483 32.709 30.300 -0.123 0.000 1.170 790 R HN 0.497 nan 8.270 nan 0.000 0.446 791 V N 3.668 123.581 119.914 -0.002 0.000 2.409 791 V HA 0.145 4.265 4.120 -0.001 0.000 0.290 791 V C 0.536 176.640 176.094 0.016 0.000 1.017 791 V CA -0.718 61.589 62.300 0.011 0.000 0.841 791 V CB 1.397 33.204 31.823 -0.027 0.000 1.003 791 V HN 0.716 nan 8.190 nan 0.000 0.426 792 K N 5.312 125.731 120.400 0.033 0.000 2.005 792 K HA 0.170 4.490 4.320 -0.001 0.000 0.206 792 K C 0.761 177.358 176.600 -0.005 0.000 1.044 792 K CA 1.333 57.623 56.287 0.006 0.000 0.942 792 K CB 0.271 32.761 32.500 -0.017 0.000 0.727 792 K HN 0.792 nan 8.250 nan 0.000 0.439 793 R N -1.498 118.977 120.500 -0.043 0.000 2.733 793 R HA 0.430 4.770 4.340 -0.001 0.000 0.272 793 R C -1.258 175.038 176.300 -0.006 0.000 1.029 793 R CA -0.899 55.171 56.100 -0.050 0.000 0.888 793 R CB 0.771 31.001 30.300 -0.116 0.000 1.251 793 R HN -0.004 nan 8.270 nan 0.000 0.464 794 M N 0.540 120.145 119.600 0.009 0.000 2.456 794 M HA 0.390 4.870 4.480 -0.001 0.000 0.324 794 M C 0.560 176.943 176.300 0.138 0.000 1.124 794 M CA -0.674 54.644 55.300 0.030 0.000 0.959 794 M CB 2.376 34.910 32.600 -0.110 0.000 1.692 794 M HN 0.939 nan 8.290 nan 0.000 0.444 795 G N 1.659 110.551 108.800 0.153 0.000 3.401 795 G HA2 0.482 4.442 3.960 -0.001 0.000 0.251 795 G HA3 0.482 4.442 3.960 -0.001 0.000 0.251 795 G C 0.365 175.275 174.900 0.016 0.000 0.960 795 G CA 0.284 45.410 45.100 0.043 0.000 1.900 795 G HN 1.100 nan 8.290 nan 0.000 0.645 796 G N -1.429 107.329 108.800 -0.070 0.000 2.712 796 G HA2 0.367 4.327 3.960 -0.001 0.000 0.686 796 G HA3 0.367 4.327 3.960 -0.001 0.000 0.686 796 G C 0.502 175.215 174.900 -0.311 0.000 1.181 796 G CA -0.337 44.611 45.100 -0.254 0.000 0.762 796 G HN 1.174 nan 8.290 nan 0.000 0.641 797 G N -0.657 107.778 108.800 -0.608 0.000 2.645 797 G HA2 0.546 4.506 3.960 -0.001 0.000 0.208 797 G HA3 0.546 4.506 3.960 -0.001 0.000 0.208 797 G C 0.816 175.663 174.900 -0.088 0.000 1.264 797 G CA 0.832 45.749 45.100 -0.306 0.000 0.586 797 G HN 1.743 nan 8.290 nan 0.000 0.952 798 F N 0.924 120.904 119.950 0.051 0.000 3.084 798 F HA -0.190 4.337 4.527 -0.001 0.000 0.286 798 F C 1.967 177.799 175.800 0.054 0.000 0.855 798 F CA 0.900 58.926 58.000 0.043 0.000 1.091 798 F CB -1.497 37.479 39.000 -0.040 0.000 1.177 798 F HN 1.146 nan 8.300 nan 0.000 0.542 799 G N -0.986 107.901 108.800 0.145 0.000 2.268 799 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.240 799 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.240 799 G C 1.200 176.131 174.900 0.052 0.000 1.010 799 G CA 0.234 45.451 45.100 0.196 0.000 0.618 799 G HN 1.253 nan 8.290 nan 0.000 0.516 800 G N 0.056 108.624 108.800 -0.387 0.000 2.509 800 G HA2 0.150 4.109 3.960 -0.001 0.000 0.218 800 G HA3 0.150 4.109 3.960 -0.001 0.000 0.218 800 G C 1.225 176.074 174.900 -0.085 0.000 1.124 800 G CA 1.397 46.093 45.100 -0.674 0.000 0.776 800 G HN 0.543 nan 8.290 nan 0.000 0.547 801 K N -0.213 120.120 120.400 -0.112 0.000 2.455 801 K HA 0.188 4.507 4.320 -0.001 0.000 0.206 801 K C 1.470 178.065 176.600 -0.008 0.000 1.027 801 K CA -0.112 56.119 56.287 -0.093 0.000 1.113 801 K CB 0.685 33.007 32.500 -0.297 0.000 0.850 801 K HN 0.347 nan 8.250 nan 0.000 0.503 802 E N 0.848 121.079 120.200 0.051 0.000 2.112 802 E HA -0.126 4.223 4.350 -0.001 0.000 0.190 802 E C 1.266 177.916 176.600 0.082 0.000 0.979 802 E CA 1.775 58.226 56.400 0.085 0.000 0.814 802 E CB 0.436 30.230 29.700 0.157 0.000 0.762 802 E HN 0.278 nan 8.360 nan 0.000 0.460 803 T N -3.019 111.607 114.554 0.119 0.000 3.098 803 T HA 0.201 4.551 4.350 -0.001 0.000 0.256 803 T C 1.593 176.374 174.700 0.136 0.000 0.921 803 T CA -0.580 61.587 62.100 0.111 0.000 0.916 803 T CB -0.092 68.878 68.868 0.169 0.000 1.246 803 T HN -0.093 nan 8.240 nan 0.000 0.511 804 R N 2.727 123.320 120.500 0.156 0.000 2.285 804 R HA 0.144 4.484 4.340 -0.001 0.000 0.213 804 R C 2.588 178.906 176.300 0.030 0.000 1.068 804 R CA 1.169 57.336 56.100 0.112 0.000 1.004 804 R CB -1.157 29.212 30.300 0.115 0.000 0.873 804 R HN 0.742 nan 8.270 nan 0.000 0.467 805 S N 0.226 116.021 115.700 0.159 0.000 2.442 805 S HA -0.149 4.320 4.470 -0.001 0.000 0.236 805 S C 1.913 176.565 174.600 0.087 0.000 1.007 805 S CA 1.526 59.851 58.200 0.208 0.000 0.965 805 S CB -0.656 62.665 63.200 0.202 0.000 0.773 805 S HN 0.469 nan 8.310 nan 0.000 0.504 806 T N 0.836 115.443 114.554 0.088 0.000 2.962 806 T HA 0.127 4.477 4.350 -0.001 0.000 0.270 806 T C 1.696 176.447 174.700 0.085 0.000 1.088 806 T CA 0.754 62.924 62.100 0.117 0.000 1.127 806 T CB -0.806 68.226 68.868 0.273 0.000 0.883 806 T HN 0.416 nan 8.240 nan 0.000 0.493 807 L N 0.513 121.763 121.223 0.045 0.000 2.042 807 L HA -0.056 4.283 4.340 -0.001 0.000 0.210 807 L C 2.886 179.764 176.870 0.013 0.000 1.076 807 L CA 1.020 55.871 54.840 0.018 0.000 0.749 807 L CB -0.677 41.383 42.059 0.001 0.000 0.893 807 L HN 0.204 nan 8.230 nan 0.000 0.432 808 V N -1.380 118.539 119.914 0.008 0.000 2.346 808 V HA -0.172 3.947 4.120 -0.001 0.000 0.244 808 V C 2.536 178.655 176.094 0.042 0.000 1.037 808 V CA 1.668 63.991 62.300 0.038 0.000 1.029 808 V CB -0.091 31.765 31.823 0.054 0.000 0.663 808 V HN 0.315 nan 8.190 nan 0.000 0.454 809 S N 0.244 115.970 115.700 0.043 0.000 2.370 809 S HA -0.181 4.288 4.470 -0.001 0.000 0.226 809 S C 1.988 176.597 174.600 0.015 0.000 1.033 809 S CA 1.650 59.871 58.200 0.035 0.000 1.011 809 S CB -0.234 62.986 63.200 0.033 0.000 0.852 809 S HN 0.382 nan 8.310 nan 0.000 0.457 810 V N 1.648 121.562 119.914 -0.000 0.000 2.379 810 V HA -0.104 4.015 4.120 -0.001 0.000 0.245 810 V C 2.596 178.626 176.094 -0.106 0.000 1.044 810 V CA 1.489 63.758 62.300 -0.053 0.000 1.036 810 V CB -1.171 30.611 31.823 -0.069 0.000 0.664 810 V HN 0.525 nan 8.190 nan 0.000 0.453 811 A N -0.005 122.758 122.820 -0.095 0.000 1.902 811 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 811 A C 2.388 180.001 177.584 0.047 0.000 1.181 811 A CA 2.073 54.086 52.037 -0.039 0.000 0.623 811 A CB -0.666 18.399 19.000 0.108 0.000 0.818 811 A HN 0.329 nan 8.150 nan 0.000 0.443 812 V N -0.091 119.850 119.914 0.045 0.000 2.343 812 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 812 V C 3.065 179.184 176.094 0.042 0.000 1.051 812 V CA 1.835 64.164 62.300 0.050 0.000 1.036 812 V CB -1.314 30.539 31.823 0.050 0.000 0.654 812 V HN 0.618 nan 8.190 nan 0.000 0.451 813 A N 0.003 122.838 122.820 0.025 0.000 1.917 813 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 813 A C 2.192 179.811 177.584 0.058 0.000 1.182 813 A CA 2.381 54.434 52.037 0.028 0.000 0.633 813 A CB -0.629 18.369 19.000 -0.002 0.000 0.819 813 A HN 0.473 nan 8.150 nan 0.000 0.448 814 L N -0.453 120.791 121.223 0.035 0.000 2.056 814 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 814 L C 2.665 179.625 176.870 0.149 0.000 1.078 814 L CA 2.174 57.063 54.840 0.082 0.000 0.749 814 L CB -0.812 41.265 42.059 0.031 0.000 0.901 814 L HN 0.337 nan 8.230 nan 0.000 0.433 815 A N -0.359 122.521 122.820 0.100 0.000 1.902 815 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 815 A C 2.460 180.078 177.584 0.057 0.000 1.181 815 A CA 1.897 53.974 52.037 0.067 0.000 0.623 815 A CB -1.200 17.823 19.000 0.039 0.000 0.818 815 A HN 0.585 nan 8.150 nan 0.000 0.443 816 A N -1.302 121.559 122.820 0.069 0.000 1.902 816 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 816 A C 2.159 179.783 177.584 0.066 0.000 1.181 816 A CA 1.691 53.764 52.037 0.061 0.000 0.623 816 A CB -0.869 18.165 19.000 0.057 0.000 0.818 816 A HN 0.841 nan 8.150 nan 0.000 0.443 817 Y N 0.464 120.764 120.300 -0.001 0.000 2.145 817 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 817 Y C 2.337 178.239 175.900 0.003 0.000 1.145 817 Y CA 2.403 60.501 58.100 -0.004 0.000 1.148 817 Y CB -0.120 38.334 38.460 -0.010 0.000 0.981 817 Y HN 0.188 nan 8.280 nan 0.000 0.507 818 K N 0.021 120.380 120.400 -0.069 0.000 2.057 818 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 818 K C 1.987 178.495 176.600 -0.154 0.000 1.050 818 K CA 2.006 58.196 56.287 -0.162 0.000 0.935 818 K CB -0.586 31.942 32.500 0.047 0.000 0.715 818 K HN 0.596 nan 8.250 nan 0.000 0.439 819 T N -3.526 110.984 114.554 -0.074 0.000 3.054 819 T HA 0.126 4.475 4.350 -0.001 0.000 0.259 819 T C 1.416 176.161 174.700 0.074 0.000 1.092 819 T CA 0.974 63.056 62.100 -0.030 0.000 1.121 819 T CB -0.058 68.767 68.868 -0.072 0.000 0.912 819 T HN 0.348 nan 8.240 nan 0.000 0.489 820 G N 1.068 109.867 108.800 -0.001 0.000 2.168 820 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.263 820 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.263 820 G C -0.128 174.773 174.900 0.002 0.000 0.977 820 G CA 0.491 45.579 45.100 -0.020 0.000 0.659 820 G HN 0.774 nan 8.290 nan 0.000 0.533 821 H N 0.465 119.486 119.070 -0.082 0.000 2.533 821 H HA 0.549 5.105 4.556 -0.001 0.000 0.343 821 H C -2.232 173.053 175.328 -0.071 0.000 1.160 821 H CA -1.879 54.121 56.048 -0.079 0.000 1.218 821 H CB 1.222 30.945 29.762 -0.065 0.000 1.566 821 H HN 0.047 nan 8.280 nan 0.000 0.522 822 P HA 0.031 nan 4.420 nan 0.000 0.266 822 P C -0.904 176.406 177.300 0.017 0.000 1.195 822 P CA 0.186 63.309 63.100 0.039 0.000 0.768 822 P CB 0.630 32.387 31.700 0.095 0.000 0.838 823 V N 3.570 123.479 119.914 -0.008 0.000 2.888 823 V HA 0.607 4.727 4.120 -0.001 0.000 0.309 823 V C 0.058 176.105 176.094 -0.079 0.000 1.114 823 V CA -0.660 61.591 62.300 -0.082 0.000 0.940 823 V CB 2.203 34.008 31.823 -0.031 0.000 1.021 823 V HN 0.602 nan 8.190 nan 0.000 0.426 824 R N 1.945 122.339 120.500 -0.176 0.000 2.888 824 R HA 0.950 5.290 4.340 -0.001 0.000 0.264 824 R C -1.371 174.950 176.300 0.036 0.000 1.045 824 R CA -0.677 55.389 56.100 -0.057 0.000 0.962 824 R CB 1.918 32.185 30.300 -0.055 0.000 1.210 824 R HN 0.723 nan 8.270 nan 0.000 0.479 825 C N 2.246 121.604 119.300 0.097 0.000 2.871 825 C HA 0.570 5.029 4.460 -0.001 0.000 0.378 825 C C -1.067 174.000 174.990 0.127 0.000 1.052 825 C CA -0.590 58.511 59.018 0.138 0.000 1.250 825 C CB 1.342 29.152 27.740 0.117 0.000 1.689 825 C HN 0.989 nan 8.230 nan 0.000 0.506 826 M N 6.515 126.196 119.600 0.136 0.000 2.311 826 M HA 0.583 5.062 4.480 -0.001 0.000 0.325 826 M C -1.181 175.181 176.300 0.104 0.000 1.061 826 M CA -0.591 54.773 55.300 0.108 0.000 0.957 826 M CB 1.240 33.896 32.600 0.093 0.000 1.646 826 M HN 0.725 nan 8.290 nan 0.000 0.434 827 L N 3.691 124.978 121.223 0.107 0.000 2.426 827 L HA 0.197 4.536 4.340 -0.001 0.000 0.271 827 L C 0.237 177.158 176.870 0.085 0.000 1.169 827 L CA -0.357 54.546 54.840 0.105 0.000 0.836 827 L CB 0.319 42.454 42.059 0.127 0.000 1.112 827 L HN 0.652 nan 8.230 nan 0.000 0.465 828 D N 1.138 121.586 120.400 0.079 0.000 2.357 828 D HA 0.019 4.659 4.640 -0.001 0.000 0.242 828 D C 0.972 177.305 176.300 0.056 0.000 1.153 828 D CA -0.180 53.859 54.000 0.064 0.000 0.918 828 D CB 1.150 41.993 40.800 0.072 0.000 1.181 828 D HN 0.355 nan 8.370 nan 0.000 0.435 829 R N 1.761 122.276 120.500 0.025 0.000 2.113 829 R HA -0.224 4.116 4.340 -0.001 0.000 0.244 829 R C 1.742 178.045 176.300 0.006 0.000 1.142 829 R CA 2.037 58.123 56.100 -0.024 0.000 0.953 829 R CB -0.227 30.045 30.300 -0.046 0.000 0.860 829 R HN 0.538 nan 8.270 nan 0.000 0.438 830 N N 0.350 119.075 118.700 0.041 0.000 2.188 830 N HA -0.188 4.551 4.740 -0.001 0.000 0.184 830 N C 1.196 176.742 175.510 0.060 0.000 1.018 830 N CA 1.927 55.008 53.050 0.052 0.000 0.858 830 N CB -0.463 38.063 38.487 0.066 0.000 0.989 830 N HN 0.480 nan 8.380 nan 0.000 0.426 831 E N 0.374 120.620 120.200 0.078 0.000 2.051 831 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 831 E C 1.441 178.092 176.600 0.086 0.000 0.991 831 E CA 1.103 57.556 56.400 0.089 0.000 0.799 831 E CB -0.167 29.593 29.700 0.100 0.000 0.748 831 E HN 0.417 nan 8.360 nan 0.000 0.449 832 D N 0.802 121.259 120.400 0.096 0.000 2.092 832 D HA -0.181 4.459 4.640 -0.001 0.000 0.193 832 D C 2.041 178.409 176.300 0.113 0.000 0.994 832 D CA 1.270 55.356 54.000 0.144 0.000 0.828 832 D CB 0.012 40.936 40.800 0.208 0.000 0.963 832 D HN 0.139 nan 8.370 nan 0.000 0.450 833 M N -0.196 119.431 119.600 0.044 0.000 2.159 833 M HA -0.175 4.305 4.480 -0.001 0.000 0.263 833 M C 2.333 178.651 176.300 0.030 0.000 1.063 833 M CA 0.797 56.097 55.300 0.000 0.000 1.110 833 M CB -0.121 32.441 32.600 -0.062 0.000 1.374 833 M HN 0.078 nan 8.290 nan 0.000 0.411 834 L N 0.304 121.555 121.223 0.047 0.000 2.068 834 L HA -0.020 4.319 4.340 -0.001 0.000 0.204 834 L C 1.974 178.896 176.870 0.087 0.000 1.076 834 L CA 1.743 56.620 54.840 0.062 0.000 0.753 834 L CB -0.171 41.926 42.059 0.063 0.000 0.910 834 L HN 0.172 nan 8.230 nan 0.000 0.439 835 I N -1.188 119.434 120.570 0.087 0.000 2.585 835 I HA -0.111 4.058 4.170 -0.001 0.000 0.254 835 I C 1.929 178.091 176.117 0.075 0.000 1.129 835 I CA 1.229 62.581 61.300 0.086 0.000 1.455 835 I CB -0.308 37.739 38.000 0.078 0.000 1.111 835 I HN 0.389 nan 8.210 nan 0.000 0.433 836 T N -1.620 112.980 114.554 0.078 0.000 3.107 836 T HA 0.426 4.775 4.350 -0.001 0.000 0.249 836 T C 0.947 175.747 174.700 0.167 0.000 1.096 836 T CA 0.251 62.390 62.100 0.065 0.000 1.012 836 T CB -0.016 68.855 68.868 0.004 0.000 0.977 836 T HN 0.482 nan 8.240 nan 0.000 0.527 837 G N -0.752 108.152 108.800 0.174 0.000 2.712 837 G HA2 0.376 4.336 3.960 -0.001 0.000 0.686 837 G HA3 0.376 4.336 3.960 -0.001 0.000 0.686 837 G C -0.134 174.935 174.900 0.281 0.000 1.321 837 G CA -0.573 44.641 45.100 0.191 0.000 0.813 837 G HN 1.082 nan 8.290 nan 0.000 0.599 838 G N -0.602 108.326 108.800 0.212 0.000 3.058 838 G HA2 0.780 4.740 3.960 -0.001 0.000 0.282 838 G HA3 0.780 4.740 3.960 -0.001 0.000 0.282 838 G C 0.010 175.040 174.900 0.217 0.000 1.248 838 G CA -0.008 45.193 45.100 0.168 0.000 0.822 838 G HN 0.879 nan 8.290 nan 0.000 0.579 839 R N 0.147 120.784 120.500 0.228 0.000 2.643 839 R HA 0.110 4.449 4.340 -0.001 0.000 0.270 839 R C -0.367 176.039 176.300 0.177 0.000 1.061 839 R CA -0.274 55.962 56.100 0.226 0.000 1.107 839 R CB 0.008 30.267 30.300 -0.069 0.000 0.999 839 R HN 0.597 nan 8.270 nan 0.000 0.460 840 H N 4.737 123.900 119.070 0.154 0.000 2.899 840 H HA 0.084 4.640 4.556 -0.001 0.000 0.303 840 H C -1.905 173.552 175.328 0.215 0.000 1.042 840 H CA -1.490 54.672 56.048 0.190 0.000 1.479 840 H CB 0.698 30.619 29.762 0.265 0.000 1.493 840 H HN 0.408 nan 8.280 nan 0.000 0.534 841 P HA -0.024 nan 4.420 nan 0.000 0.266 841 P C -0.665 176.786 177.300 0.252 0.000 1.195 841 P CA 0.705 63.867 63.100 0.103 0.000 0.768 841 P CB 0.352 32.132 31.700 0.134 0.000 0.838 842 F N 1.893 121.786 119.950 -0.094 0.000 2.551 842 F HA 0.498 5.024 4.527 -0.001 0.000 0.316 842 F C -0.197 175.695 175.800 0.155 0.000 1.089 842 F CA -1.054 56.999 58.000 0.089 0.000 0.915 842 F CB 1.687 40.754 39.000 0.111 0.000 1.186 842 F HN 0.085 nan 8.300 nan 0.000 0.456 843 L N 3.503 124.983 121.223 0.428 0.000 2.341 843 L HA 0.888 5.227 4.340 -0.001 0.000 0.278 843 L C -1.073 176.087 176.870 0.483 0.000 1.005 843 L CA -0.360 54.772 54.840 0.486 0.000 0.818 843 L CB 1.443 43.757 42.059 0.425 0.000 1.259 843 L HN 0.612 nan 8.230 nan 0.000 0.418 844 A N 5.209 128.285 122.820 0.427 0.000 2.371 844 A HA 0.864 5.184 4.320 -0.001 0.000 0.311 844 A C -0.917 176.882 177.584 0.358 0.000 1.068 844 A CA -0.744 51.497 52.037 0.340 0.000 0.744 844 A CB 1.175 20.331 19.000 0.260 0.000 1.239 844 A HN 0.716 nan 8.150 nan 0.000 0.435 845 R N 1.323 121.993 120.500 0.284 0.000 2.393 845 R HA 0.559 4.898 4.340 -0.001 0.000 0.315 845 R C -1.506 174.896 176.300 0.170 0.000 0.952 845 R CA -0.386 55.827 56.100 0.189 0.000 0.842 845 R CB 1.407 31.799 30.300 0.153 0.000 1.163 845 R HN 0.801 nan 8.270 nan 0.000 0.450 846 Y N -0.604 119.735 120.300 0.065 0.000 2.570 846 Y HA 0.657 5.206 4.550 -0.001 0.000 0.345 846 Y C -0.829 175.081 175.900 0.018 0.000 1.014 846 Y CA -1.333 56.786 58.100 0.033 0.000 1.063 846 Y CB 1.972 40.478 38.460 0.077 0.000 1.272 846 Y HN 0.299 nan 8.280 nan 0.000 0.477 847 K N 2.636 123.106 120.400 0.117 0.000 2.615 847 K HA 0.603 4.923 4.320 -0.001 0.000 0.249 847 K C -2.506 174.212 176.600 0.196 0.000 0.977 847 K CA -0.751 55.581 56.287 0.075 0.000 0.833 847 K CB 2.456 34.923 32.500 -0.056 0.000 1.208 847 K HN 0.799 nan 8.250 nan 0.000 0.443 848 V N 3.440 123.466 119.914 0.188 0.000 2.487 848 V HA 0.748 4.867 4.120 -0.001 0.000 0.298 848 V C -0.372 175.913 176.094 0.318 0.000 1.028 848 V CA -0.241 62.099 62.300 0.068 0.000 0.860 848 V CB 1.497 33.147 31.823 -0.289 0.000 0.991 848 V HN 0.843 nan 8.190 nan 0.000 0.427 849 G N 6.055 114.965 108.800 0.185 0.000 2.356 849 G HA2 0.750 4.709 3.960 -0.001 0.000 0.322 849 G HA3 0.750 4.709 3.960 -0.001 0.000 0.322 849 G C -1.170 173.775 174.900 0.075 0.000 1.125 849 G CA -0.515 44.640 45.100 0.092 0.000 0.885 849 G HN 1.047 nan 8.290 nan 0.000 0.467 850 F N 0.290 120.210 119.950 -0.049 0.000 2.668 850 F HA 0.716 5.243 4.527 -0.001 0.000 0.309 850 F C -0.538 175.243 175.800 -0.033 0.000 1.117 850 F CA -1.894 56.070 58.000 -0.061 0.000 0.951 850 F CB 1.261 40.233 39.000 -0.046 0.000 1.323 850 F HN 0.241 nan 8.300 nan 0.000 0.451 851 M N 1.581 121.252 119.600 0.118 0.000 2.163 851 M HA 0.316 4.796 4.480 -0.001 0.000 0.305 851 M C 0.975 177.363 176.300 0.147 0.000 1.166 851 M CA -0.289 55.044 55.300 0.055 0.000 1.132 851 M CB 0.853 33.475 32.600 0.036 0.000 1.413 851 M HN 0.827 nan 8.290 nan 0.000 0.478 852 K N 0.034 120.482 120.400 0.079 0.000 2.362 852 K HA -0.063 4.257 4.320 -0.001 0.000 0.200 852 K C 1.361 178.030 176.600 0.114 0.000 1.046 852 K CA 1.191 57.540 56.287 0.104 0.000 0.952 852 K CB -0.291 32.241 32.500 0.053 0.000 0.753 852 K HN 0.706 nan 8.250 nan 0.000 0.466 853 T N -0.848 113.762 114.554 0.094 0.000 3.085 853 T HA 0.058 4.408 4.350 -0.001 0.000 0.263 853 T C 1.385 176.128 174.700 0.073 0.000 1.127 853 T CA 0.735 62.878 62.100 0.071 0.000 1.103 853 T CB 0.259 69.155 68.868 0.047 0.000 0.921 853 T HN 0.459 nan 8.240 nan 0.000 0.510 854 G N 1.408 110.278 108.800 0.117 0.000 2.175 854 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.244 854 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.244 854 G C 0.292 175.202 174.900 0.016 0.000 0.982 854 G CA 0.029 45.156 45.100 0.044 0.000 0.641 854 G HN 0.517 nan 8.290 nan 0.000 0.527 855 T N 1.685 116.265 114.554 0.045 0.000 2.853 855 T HA 0.473 4.823 4.350 -0.001 0.000 0.298 855 T C 0.901 175.621 174.700 0.032 0.000 0.978 855 T CA 0.248 62.351 62.100 0.004 0.000 1.152 855 T CB 0.954 69.817 68.868 -0.009 0.000 0.914 855 T HN 0.339 nan 8.240 nan 0.000 0.539 856 I N 3.490 124.045 120.570 -0.024 0.000 2.441 856 I HA 0.144 4.313 4.170 -0.001 0.000 0.287 856 I C 0.993 177.054 176.117 -0.094 0.000 1.049 856 I CA -0.043 61.231 61.300 -0.043 0.000 1.381 856 I CB 1.224 39.164 38.000 -0.100 0.000 1.409 856 I HN 0.435 nan 8.210 nan 0.000 0.523 857 V N 4.896 124.733 119.914 -0.129 0.000 3.539 857 V HA 0.460 4.580 4.120 -0.001 0.000 0.262 857 V C 0.370 176.281 176.094 -0.305 0.000 1.381 857 V CA 0.361 62.554 62.300 -0.179 0.000 1.060 857 V CB 0.645 32.383 31.823 -0.143 0.000 0.842 857 V HN 0.826 nan 8.190 nan 0.000 0.445 858 A N 0.646 123.203 122.820 -0.438 0.000 2.566 858 A HA 0.814 5.134 4.320 -0.001 0.000 0.297 858 A C -2.055 175.166 177.584 -0.604 0.000 1.059 858 A CA -0.326 51.288 52.037 -0.706 0.000 0.691 858 A CB 2.183 20.283 19.000 -1.501 0.000 1.282 858 A HN 0.209 nan 8.150 nan 0.000 0.401 859 L N 0.909 121.887 121.223 -0.409 0.000 2.505 859 L HA 0.719 5.059 4.340 -0.001 0.000 0.266 859 L C -1.044 175.800 176.870 -0.043 0.000 0.954 859 L CA 0.103 54.792 54.840 -0.253 0.000 0.852 859 L CB 2.011 43.837 42.059 -0.388 0.000 1.282 859 L HN 0.762 nan 8.230 nan 0.000 0.403 860 E N 4.313 124.573 120.200 0.100 0.000 2.199 860 E HA 0.703 5.053 4.350 -0.001 0.000 0.265 860 E C -1.485 175.162 176.600 0.079 0.000 0.882 860 E CA -0.848 55.621 56.400 0.114 0.000 0.759 860 E CB 2.737 32.537 29.700 0.167 0.000 1.148 860 E HN 0.384 nan 8.360 nan 0.000 0.412 861 V N 2.780 122.732 119.914 0.062 0.000 2.525 861 V HA 0.238 4.358 4.120 -0.001 0.000 0.299 861 V C -0.992 175.069 176.094 -0.055 0.000 1.034 861 V CA -1.050 61.253 62.300 0.004 0.000 0.863 861 V CB 1.927 33.715 31.823 -0.059 0.000 0.999 861 V HN 0.637 nan 8.190 nan 0.000 0.423 862 D N 2.737 123.094 120.400 -0.072 0.000 2.280 862 D HA 0.471 5.111 4.640 -0.001 0.000 0.236 862 D C -0.441 175.703 176.300 -0.260 0.000 1.082 862 D CA -0.171 53.743 54.000 -0.143 0.000 0.834 862 D CB 1.164 41.914 40.800 -0.084 0.000 1.100 862 D HN 0.600 nan 8.370 nan 0.000 0.486 863 H N 1.042 119.965 119.070 -0.246 0.000 2.463 863 H HA 0.432 4.987 4.556 -0.001 0.000 0.332 863 H C -0.755 174.237 175.328 -0.559 0.000 1.127 863 H CA -0.377 55.590 56.048 -0.134 0.000 1.238 863 H CB 0.936 30.759 29.762 0.102 0.000 1.478 863 H HN 0.311 nan 8.280 nan 0.000 0.499 864 Y N 0.414 120.735 120.300 0.035 0.000 2.346 864 Y HA 0.324 4.873 4.550 -0.001 0.000 0.332 864 Y C -0.328 175.357 175.900 -0.359 0.000 0.985 864 Y CA -0.965 57.078 58.100 -0.096 0.000 1.112 864 Y CB 1.779 40.265 38.460 0.043 0.000 1.170 864 Y HN 0.643 nan 8.280 nan 0.000 0.447 865 S N 1.523 117.006 115.700 -0.360 0.000 2.565 865 S HA 0.362 4.832 4.470 -0.001 0.000 0.290 865 S C -0.513 174.079 174.600 -0.014 0.000 1.150 865 S CA -0.972 56.946 58.200 -0.471 0.000 1.058 865 S CB 1.484 64.353 63.200 -0.552 0.000 1.032 865 S HN 0.635 nan 8.310 nan 0.000 0.510 866 N N 1.354 120.087 118.700 0.056 0.000 2.482 866 N HA 0.338 5.078 4.740 -0.001 0.000 0.242 866 N C 0.807 176.334 175.510 0.028 0.000 1.100 866 N CA -0.223 52.863 53.050 0.060 0.000 0.946 866 N CB 0.932 39.447 38.487 0.046 0.000 1.227 866 N HN 0.786 nan 8.380 nan 0.000 0.508 867 A N 2.426 125.320 122.820 0.122 0.000 2.016 867 A HA 0.321 4.641 4.320 -0.001 0.000 0.217 867 A C 1.245 178.875 177.584 0.078 0.000 1.162 867 A CA 1.122 53.263 52.037 0.173 0.000 0.662 867 A CB -0.718 18.539 19.000 0.429 0.000 0.812 867 A HN 0.845 nan 8.150 nan 0.000 0.450 868 G N 0.334 109.173 108.800 0.065 0.000 2.584 868 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.229 868 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.229 868 G C 0.215 175.188 174.900 0.122 0.000 1.320 868 G CA 0.305 45.424 45.100 0.032 0.000 0.891 868 G HN 1.109 nan 8.290 nan 0.000 0.573 869 N N 0.442 119.172 118.700 0.050 0.000 2.314 869 N HA 0.306 5.045 4.740 -0.001 0.000 0.200 869 N C 0.536 176.095 175.510 0.082 0.000 1.135 869 N CA 1.242 54.316 53.050 0.039 0.000 0.835 869 N CB -0.016 38.400 38.487 -0.119 0.000 0.989 869 N HN 1.777 nan 8.380 nan 0.000 0.478 870 S N -1.515 114.231 115.700 0.078 0.000 2.615 870 S HA 0.475 4.944 4.470 -0.001 0.000 0.269 870 S C 0.467 174.868 174.600 -0.331 0.000 1.161 870 S CA -0.925 57.225 58.200 -0.083 0.000 0.817 870 S CB 1.852 65.041 63.200 -0.018 0.000 1.131 870 S HN 0.002 nan 8.310 nan 0.000 0.467 871 R N 0.671 120.858 120.500 -0.521 0.000 2.062 871 R HA 0.067 4.407 4.340 -0.001 0.000 0.231 871 R C 0.921 177.199 176.300 -0.036 0.000 1.136 871 R CA 1.570 57.367 56.100 -0.506 0.000 0.948 871 R CB -0.839 29.145 30.300 -0.526 0.000 0.845 871 R HN 0.898 nan 8.270 nan 0.000 0.430 872 D N -0.894 119.611 120.400 0.174 0.000 3.417 872 D HA -0.292 4.348 4.640 -0.001 0.000 0.163 872 D C 0.210 176.745 176.300 0.391 0.000 1.070 872 D CA 2.144 56.323 54.000 0.298 0.000 1.047 872 D CB -0.745 40.195 40.800 0.233 0.000 0.514 872 D HN 0.103 nan 8.370 nan 0.000 0.532 873 L N 0.307 121.732 121.223 0.336 0.000 2.629 873 L HA 0.236 4.576 4.340 -0.001 0.000 0.230 873 L C 2.040 178.985 176.870 0.125 0.000 1.151 873 L CA 0.117 55.156 54.840 0.331 0.000 0.924 873 L CB -0.005 42.303 42.059 0.415 0.000 1.137 873 L HN 0.159 nan 8.230 nan 0.000 0.457 874 S N -0.473 115.294 115.700 0.111 0.000 2.370 874 S HA -0.276 4.193 4.470 -0.001 0.000 0.226 874 S C 1.891 176.435 174.600 -0.093 0.000 1.033 874 S CA 1.729 59.914 58.200 -0.025 0.000 1.011 874 S CB -0.257 63.047 63.200 0.172 0.000 0.852 874 S HN 0.609 nan 8.310 nan 0.000 0.457 875 H N 1.099 120.105 119.070 -0.105 0.000 2.293 875 H HA -0.008 4.547 4.556 -0.001 0.000 0.300 875 H C 2.308 177.592 175.328 -0.072 0.000 1.082 875 H CA 1.921 57.898 56.048 -0.119 0.000 1.308 875 H CB -0.327 29.337 29.762 -0.163 0.000 1.375 875 H HN 0.225 nan 8.280 nan 0.000 0.495 876 S N -0.285 115.531 115.700 0.194 0.000 2.383 876 S HA -0.141 4.328 4.470 -0.001 0.000 0.229 876 S C 2.197 176.833 174.600 0.060 0.000 1.030 876 S CA 1.378 59.738 58.200 0.267 0.000 1.002 876 S CB -0.253 63.263 63.200 0.526 0.000 0.829 876 S HN 0.368 nan 8.310 nan 0.000 0.467 877 I N 0.629 120.967 120.570 -0.386 0.000 2.226 877 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 877 I C 2.432 178.409 176.117 -0.233 0.000 1.100 877 I CA 1.113 62.015 61.300 -0.663 0.000 1.374 877 I CB -0.233 37.248 38.000 -0.866 0.000 1.057 877 I HN 0.296 nan 8.210 nan 0.000 0.413 878 M N 0.781 120.254 119.600 -0.213 0.000 2.159 878 M HA -0.201 4.279 4.480 -0.001 0.000 0.263 878 M C 2.044 178.215 176.300 -0.215 0.000 1.063 878 M CA 1.804 57.005 55.300 -0.165 0.000 1.110 878 M CB -0.471 31.962 32.600 -0.278 0.000 1.374 878 M HN 0.120 nan 8.290 nan 0.000 0.411 879 E N -0.665 119.388 120.200 -0.245 0.000 2.058 879 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 879 E C 2.226 178.766 176.600 -0.101 0.000 0.997 879 E CA 1.574 57.853 56.400 -0.203 0.000 0.801 879 E CB -0.350 29.376 29.700 0.043 0.000 0.746 879 E HN 0.526 nan 8.360 nan 0.000 0.450 880 R N 0.560 121.163 120.500 0.173 0.000 2.120 880 R HA -0.130 4.210 4.340 -0.001 0.000 0.234 880 R C 2.234 178.691 176.300 0.262 0.000 1.123 880 R CA 1.158 57.486 56.100 0.378 0.000 0.975 880 R CB -0.146 30.388 30.300 0.390 0.000 0.866 880 R HN 0.133 nan 8.270 nan 0.000 0.446 881 A N 1.222 124.065 122.820 0.039 0.000 1.865 881 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 881 A C 2.172 179.715 177.584 -0.068 0.000 1.191 881 A CA 1.385 53.380 52.037 -0.070 0.000 0.623 881 A CB -0.711 18.207 19.000 -0.136 0.000 0.826 881 A HN 0.351 nan 8.150 nan 0.000 0.444 882 L N -1.809 119.319 121.223 -0.159 0.000 2.079 882 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 882 L C 2.437 179.382 176.870 0.125 0.000 1.081 882 L CA 1.392 56.174 54.840 -0.097 0.000 0.752 882 L CB -0.581 41.382 42.059 -0.159 0.000 0.896 882 L HN 0.455 nan 8.230 nan 0.000 0.433 883 F N -1.434 118.582 119.950 0.110 0.000 2.502 883 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 883 F C 2.075 177.900 175.800 0.041 0.000 1.111 883 F CA 0.503 58.459 58.000 -0.073 0.000 1.445 883 F CB -0.021 38.769 39.000 -0.350 0.000 1.081 883 F HN 0.218 nan 8.300 nan 0.000 0.558 884 H N -0.254 119.031 119.070 0.358 0.000 2.672 884 H HA 0.156 4.711 4.556 -0.001 0.000 0.277 884 H C 1.918 177.330 175.328 0.141 0.000 1.074 884 H CA 0.276 56.462 56.048 0.230 0.000 1.173 884 H CB 0.044 29.837 29.762 0.051 0.000 1.558 884 H HN 0.412 nan 8.280 nan 0.000 0.539 885 M N 0.401 120.131 119.600 0.216 0.000 2.549 885 M HA -0.054 4.426 4.480 -0.001 0.000 0.260 885 M C 1.072 177.439 176.300 0.113 0.000 1.076 885 M CA 1.403 56.803 55.300 0.167 0.000 1.090 885 M CB -0.108 32.623 32.600 0.217 0.000 1.418 885 M HN -0.088 nan 8.290 nan 0.000 0.486 886 D N -0.490 119.920 120.400 0.017 0.000 2.323 886 D HA -0.068 4.572 4.640 -0.001 0.000 0.209 886 D C 0.927 177.271 176.300 0.073 0.000 0.973 886 D CA 0.442 54.480 54.000 0.063 0.000 0.874 886 D CB -0.556 40.305 40.800 0.102 0.000 0.930 886 D HN 0.506 nan 8.370 nan 0.000 0.521 887 N N 0.295 119.018 118.700 0.039 0.000 1.154 887 N HA -0.312 4.428 4.740 -0.001 0.000 0.135 887 N C -0.013 175.436 175.510 -0.102 0.000 0.562 887 N CA 2.643 55.647 53.050 -0.076 0.000 0.947 887 N CB -1.262 37.089 38.487 -0.227 0.000 1.354 887 N HN 0.358 nan 8.380 nan 0.000 0.505 888 C N -0.010 118.960 119.300 -0.550 0.000 2.589 888 C HA 0.406 4.865 4.460 -0.001 0.000 0.307 888 C C -0.597 174.018 174.990 -0.624 0.000 1.328 888 C CA -0.507 58.324 59.018 -0.311 0.000 1.742 888 C CB -2.110 25.489 27.740 -0.235 0.000 2.037 888 C HN 0.333 nan 8.230 nan 0.000 0.592 889 Y N 0.475 120.562 120.300 -0.355 0.000 2.352 889 Y HA 0.450 5.000 4.550 -0.001 0.000 0.339 889 Y C 0.253 175.527 175.900 -1.044 0.000 0.992 889 Y CA -1.044 56.702 58.100 -0.589 0.000 1.100 889 Y CB 0.857 39.171 38.460 -0.243 0.000 1.192 889 Y HN -0.165 nan 8.280 nan 0.000 0.458 890 K N 3.877 123.739 120.400 -0.897 0.000 2.349 890 K HA 0.452 4.771 4.320 -0.001 0.000 0.289 890 K C -1.498 174.938 176.600 -0.274 0.000 1.064 890 K CA 0.248 56.131 56.287 -0.674 0.000 0.947 890 K CB -0.092 32.157 32.500 -0.419 0.000 1.007 890 K HN 0.680 nan 8.250 nan 0.000 0.478 891 I N 8.296 128.764 120.570 -0.169 0.000 2.476 891 I HA 0.247 4.416 4.170 -0.001 0.000 0.281 891 I C -1.756 174.311 176.117 -0.084 0.000 1.040 891 I CA -2.156 59.076 61.300 -0.114 0.000 1.094 891 I CB 2.042 39.985 38.000 -0.096 0.000 1.219 891 I HN 0.588 nan 8.210 nan 0.000 0.450 892 P HA -0.074 nan 4.420 nan 0.000 0.216 892 P C -0.381 176.877 177.300 -0.069 0.000 1.150 892 P CA 1.363 64.418 63.100 -0.075 0.000 0.837 892 P CB 0.183 31.830 31.700 -0.089 0.000 0.786 893 N N -0.105 118.530 118.700 -0.110 0.000 2.461 893 N HA 0.435 5.174 4.740 -0.001 0.000 0.284 893 N C -0.980 174.455 175.510 -0.125 0.000 1.049 893 N CA -0.327 52.657 53.050 -0.111 0.000 0.889 893 N CB 2.393 40.786 38.487 -0.157 0.000 1.365 893 N HN 0.004 nan 8.380 nan 0.000 0.499 894 I N 0.805 121.348 120.570 -0.045 0.000 2.722 894 I HA 0.405 4.575 4.170 -0.001 0.000 0.292 894 I C -1.564 174.583 176.117 0.050 0.000 1.267 894 I CA -0.646 60.643 61.300 -0.018 0.000 1.036 894 I CB 2.468 40.464 38.000 -0.007 0.000 1.281 894 I HN 0.386 nan 8.210 nan 0.000 0.423 895 R N 5.187 125.725 120.500 0.063 0.000 2.510 895 R HA 0.641 4.981 4.340 -0.001 0.000 0.294 895 R C -1.381 174.987 176.300 0.115 0.000 1.056 895 R CA -0.548 55.611 56.100 0.099 0.000 0.918 895 R CB 1.905 32.260 30.300 0.091 0.000 1.187 895 R HN 0.809 nan 8.270 nan 0.000 0.437 896 G N 1.798 110.691 108.800 0.154 0.000 2.461 896 G HA2 0.508 4.468 3.960 -0.001 0.000 0.323 896 G HA3 0.508 4.468 3.960 -0.001 0.000 0.323 896 G C -0.665 174.327 174.900 0.153 0.000 1.229 896 G CA -0.444 44.774 45.100 0.198 0.000 0.941 896 G HN 0.547 nan 8.290 nan 0.000 0.477 897 T N -1.166 113.469 114.554 0.136 0.000 2.924 897 T HA 0.839 5.189 4.350 -0.001 0.000 0.291 897 T C -0.004 174.700 174.700 0.007 0.000 1.045 897 T CA -0.638 61.475 62.100 0.022 0.000 1.015 897 T CB 2.352 71.185 68.868 -0.059 0.000 1.103 897 T HN 1.131 nan 8.240 nan 0.000 0.496 898 G N 1.150 109.867 108.800 -0.138 0.000 2.638 898 G HA2 0.654 4.613 3.960 -0.001 0.000 0.302 898 G HA3 0.654 4.613 3.960 -0.001 0.000 0.302 898 G C -1.247 173.466 174.900 -0.312 0.000 1.365 898 G CA -0.950 44.019 45.100 -0.219 0.000 0.987 898 G HN 0.630 nan 8.290 nan 0.000 0.495 899 R N 0.690 120.964 120.500 -0.376 0.000 2.750 899 R HA 0.519 4.859 4.340 -0.001 0.000 0.281 899 R C -0.781 175.461 176.300 -0.096 0.000 0.972 899 R CA -0.990 54.926 56.100 -0.306 0.000 0.912 899 R CB 1.977 31.944 30.300 -0.554 0.000 1.187 899 R HN 0.463 nan 8.270 nan 0.000 0.464 900 L N 1.513 122.760 121.223 0.040 0.000 2.280 900 L HA 0.476 4.816 4.340 -0.001 0.000 0.287 900 L C -0.245 176.805 176.870 0.299 0.000 1.023 900 L CA -0.884 54.056 54.840 0.167 0.000 0.819 900 L CB 1.432 43.630 42.059 0.232 0.000 1.212 900 L HN 0.391 nan 8.230 nan 0.000 0.420 901 C N 2.981 122.428 119.300 0.245 0.000 2.394 901 C HA 0.157 4.616 4.460 -0.001 0.000 0.362 901 C C 0.846 175.776 174.990 -0.100 0.000 1.268 901 C CA -0.717 58.376 59.018 0.125 0.000 1.828 901 C CB 0.083 27.882 27.740 0.099 0.000 2.442 901 C HN 0.688 nan 8.230 nan 0.000 0.549 902 K N 3.536 123.689 120.400 -0.412 0.000 2.292 902 K HA 0.360 4.679 4.320 -0.001 0.000 0.290 902 K C 0.265 176.672 176.600 -0.323 0.000 1.083 902 K CA 0.253 56.149 56.287 -0.652 0.000 0.918 902 K CB 0.328 32.191 32.500 -1.060 0.000 1.089 902 K HN 0.915 nan 8.250 nan 0.000 0.473 903 T N 0.262 114.712 114.554 -0.174 0.000 2.901 903 T HA 0.305 4.654 4.350 -0.001 0.000 0.293 903 T C -0.002 174.618 174.700 -0.134 0.000 1.084 903 T CA -1.102 60.906 62.100 -0.154 0.000 1.008 903 T CB 1.116 69.906 68.868 -0.129 0.000 1.170 903 T HN 0.425 nan 8.240 nan 0.000 0.509 904 N N 1.560 120.170 118.700 -0.150 0.000 3.259 904 N HA 0.308 5.048 4.740 -0.001 0.000 0.308 904 N C -0.798 174.649 175.510 -0.106 0.000 1.334 904 N CA 0.032 52.999 53.050 -0.139 0.000 1.202 904 N CB -0.481 37.925 38.487 -0.135 0.000 1.485 904 N HN 0.507 nan 8.380 nan 0.000 0.549 905 L N -0.400 120.762 121.223 -0.100 0.000 2.350 905 L HA 0.347 4.686 4.340 -0.001 0.000 0.260 905 L C 0.507 177.353 176.870 -0.040 0.000 1.015 905 L CA -0.897 53.895 54.840 -0.080 0.000 0.821 905 L CB 1.702 43.673 42.059 -0.148 0.000 1.370 905 L HN -0.067 nan 8.230 nan 0.000 0.416 906 S N 0.720 116.425 115.700 0.008 0.000 2.573 906 S HA -0.065 4.404 4.470 -0.001 0.000 0.297 906 S C 0.283 174.893 174.600 0.018 0.000 1.280 906 S CA 0.017 58.233 58.200 0.027 0.000 1.061 906 S CB 0.456 63.701 63.200 0.076 0.000 0.812 906 S HN 0.565 nan 8.310 nan 0.000 0.500 907 S N 3.657 119.370 115.700 0.023 0.000 2.546 907 S HA 0.040 4.509 4.470 -0.001 0.000 0.290 907 S C 0.358 174.981 174.600 0.038 0.000 1.262 907 S CA -0.587 57.633 58.200 0.034 0.000 1.083 907 S CB -0.255 62.978 63.200 0.056 0.000 0.859 907 S HN 0.617 nan 8.310 nan 0.000 0.495 908 N N 2.865 121.527 118.700 -0.064 0.000 2.445 908 N HA 0.420 5.160 4.740 -0.001 0.000 0.264 908 N C 0.277 175.851 175.510 0.106 0.000 1.227 908 N CA -0.128 52.842 53.050 -0.135 0.000 0.963 908 N CB 1.423 39.548 38.487 -0.604 0.000 1.188 908 N HN 0.687 nan 8.380 nan 0.000 0.491 909 T N -1.512 113.235 114.554 0.321 0.000 2.612 909 T HA 0.605 4.955 4.350 -0.001 0.000 0.296 909 T C -1.335 173.674 174.700 0.515 0.000 1.148 909 T CA -0.502 61.866 62.100 0.447 0.000 1.077 909 T CB 0.305 69.392 68.868 0.364 0.000 1.591 909 T HN 0.487 nan 8.240 nan 0.000 0.479 910 A N 1.072 124.206 122.820 0.524 0.000 2.462 910 A HA 0.617 4.937 4.320 -0.001 0.000 0.243 910 A C -0.745 177.268 177.584 0.714 0.000 1.076 910 A CA 0.012 52.440 52.037 0.651 0.000 0.773 910 A CB -0.578 18.849 19.000 0.711 0.000 1.010 910 A HN 0.731 nan 8.150 nan 0.000 0.493 911 F N 1.917 122.165 119.950 0.496 0.000 2.630 911 F HA 0.405 4.932 4.527 -0.001 0.000 0.325 911 F C 0.455 176.444 175.800 0.315 0.000 1.184 911 F CA -1.083 57.167 58.000 0.416 0.000 1.011 911 F CB 1.134 40.232 39.000 0.163 0.000 1.268 911 F HN 0.795 nan 8.300 nan 0.000 0.480 912 R N 4.206 125.173 120.500 0.777 0.000 4.326 912 R HA -0.068 4.272 4.340 -0.001 0.000 0.141 912 R C 0.888 177.366 176.300 0.298 0.000 0.356 912 R CA 2.019 58.405 56.100 0.477 0.000 0.851 912 R CB -0.713 29.891 30.300 0.506 0.000 1.039 912 R HN 1.176 nan 8.270 nan 0.000 0.246 913 G N 3.451 112.409 108.800 0.263 0.000 2.612 913 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.200 913 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.200 913 G C 0.255 175.425 174.900 0.451 0.000 1.053 913 G CA -0.078 45.174 45.100 0.252 0.000 0.707 913 G HN 0.801 nan 8.290 nan 0.000 0.497 914 F N 0.830 120.895 119.950 0.192 0.000 3.039 914 F HA 0.079 4.606 4.527 -0.001 0.000 0.287 914 F C 1.747 177.595 175.800 0.081 0.000 0.956 914 F CA 2.561 60.666 58.000 0.175 0.000 0.971 914 F CB -1.011 38.109 39.000 0.201 0.000 0.943 914 F HN 2.101 nan 8.300 nan 0.000 0.766 915 G N -0.664 108.124 108.800 -0.020 0.000 2.258 915 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.233 915 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.233 915 G C 1.544 176.323 174.900 -0.201 0.000 1.006 915 G CA 0.755 45.741 45.100 -0.190 0.000 0.620 915 G HN 1.533 nan 8.290 nan 0.000 0.511 916 G N 1.753 110.515 108.800 -0.062 0.000 2.480 916 G HA2 0.052 4.012 3.960 -0.001 0.000 0.216 916 G HA3 0.052 4.012 3.960 -0.001 0.000 0.216 916 G C 0.104 174.942 174.900 -0.104 0.000 1.200 916 G CA 2.015 47.034 45.100 -0.134 0.000 0.782 916 G HN 0.535 nan 8.290 nan 0.000 0.554 917 P HA -0.079 nan 4.420 nan 0.000 0.216 917 P C 1.789 179.127 177.300 0.063 0.000 1.150 917 P CA 1.335 64.503 63.100 0.113 0.000 0.837 917 P CB -0.012 31.779 31.700 0.152 0.000 0.786 918 Q N -0.307 119.390 119.800 -0.171 0.000 2.030 918 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 918 Q C 2.339 178.245 176.000 -0.156 0.000 0.986 918 Q CA 2.230 57.856 55.803 -0.295 0.000 0.843 918 Q CB -1.403 26.734 28.738 -1.002 0.000 0.904 918 Q HN 0.164 nan 8.270 nan 0.000 0.420 919 A N 0.251 122.927 122.820 -0.241 0.000 1.933 919 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 919 A C 2.094 179.649 177.584 -0.049 0.000 1.175 919 A CA 1.213 53.230 52.037 -0.034 0.000 0.628 919 A CB -0.729 18.247 19.000 -0.039 0.000 0.814 919 A HN 0.329 nan 8.150 nan 0.000 0.444 920 L N -2.200 118.878 121.223 -0.243 0.000 2.046 920 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 920 L C 2.447 179.044 176.870 -0.455 0.000 1.077 920 L CA 1.512 55.997 54.840 -0.592 0.000 0.747 920 L CB -0.538 40.675 42.059 -1.410 0.000 0.896 920 L HN 0.491 nan 8.230 nan 0.000 0.432 921 F N 0.800 120.598 119.950 -0.254 0.000 2.134 921 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 921 F C 2.238 178.023 175.800 -0.025 0.000 1.097 921 F CA 1.459 59.518 58.000 0.099 0.000 1.264 921 F CB -0.126 38.961 39.000 0.145 0.000 1.001 921 F HN -0.108 nan 8.300 nan 0.000 0.479 922 I N 0.142 120.708 120.570 -0.006 0.000 2.226 922 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 922 I C 2.706 178.584 176.117 -0.397 0.000 1.100 922 I CA 1.218 62.450 61.300 -0.112 0.000 1.374 922 I CB -0.985 37.084 38.000 0.114 0.000 1.057 922 I HN 0.229 nan 8.210 nan 0.000 0.413 923 A N 0.441 123.012 122.820 -0.414 0.000 1.865 923 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 923 A C 2.252 179.050 177.584 -1.311 0.000 1.191 923 A CA 1.672 53.136 52.037 -0.954 0.000 0.623 923 A CB -0.518 18.241 19.000 -0.403 0.000 0.826 923 A HN 0.339 nan 8.150 nan 0.000 0.444 924 E N -0.216 119.559 120.200 -0.709 0.000 2.153 924 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 924 E C 1.806 177.860 176.600 -0.910 0.000 0.988 924 E CA 1.317 57.268 56.400 -0.749 0.000 0.811 924 E CB -0.531 28.852 29.700 -0.528 0.000 0.746 924 E HN 0.741 nan 8.360 nan 0.000 0.466 925 N N 1.098 119.383 118.700 -0.692 0.000 2.058 925 N HA -0.160 4.580 4.740 -0.001 0.000 0.191 925 N C 1.956 177.246 175.510 -0.367 0.000 1.037 925 N CA 2.048 54.845 53.050 -0.422 0.000 0.848 925 N CB -0.369 37.865 38.487 -0.421 0.000 1.021 925 N HN 0.387 nan 8.380 nan 0.000 0.422 926 W N -0.543 120.498 121.300 -0.432 0.000 2.374 926 W HA -0.104 4.556 4.660 -0.001 0.000 0.288 926 W C 1.703 178.050 176.519 -0.286 0.000 1.218 926 W CA 0.266 57.404 57.345 -0.345 0.000 1.245 926 W CB -0.814 28.422 29.460 -0.373 0.000 1.126 926 W HN 0.160 nan 8.180 nan 0.000 0.545 927 M N 3.374 122.674 119.600 -0.500 0.000 2.117 927 M HA -0.201 4.279 4.480 -0.001 0.000 0.262 927 M C 2.635 178.739 176.300 -0.327 0.000 1.065 927 M CA 2.879 57.904 55.300 -0.458 0.000 1.114 927 M CB -0.928 31.162 32.600 -0.852 0.000 1.361 927 M HN 0.106 nan 8.290 nan 0.000 0.408 928 S N -0.788 114.691 115.700 -0.368 0.000 2.382 928 S HA -0.174 4.295 4.470 -0.001 0.000 0.228 928 S C 1.781 176.304 174.600 -0.129 0.000 1.027 928 S CA 1.611 59.664 58.200 -0.245 0.000 0.991 928 S CB -0.813 62.240 63.200 -0.246 0.000 0.823 928 S HN 0.704 nan 8.310 nan 0.000 0.469 929 E N 0.655 120.801 120.200 -0.091 0.000 2.152 929 E HA 0.004 4.353 4.350 -0.001 0.000 0.192 929 E C 2.125 178.669 176.600 -0.094 0.000 0.983 929 E CA 0.899 57.283 56.400 -0.025 0.000 0.818 929 E CB -0.258 29.491 29.700 0.083 0.000 0.758 929 E HN 0.384 nan 8.360 nan 0.000 0.467 930 V N 1.564 121.342 119.914 -0.227 0.000 2.287 930 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 930 V C 2.362 178.240 176.094 -0.360 0.000 1.053 930 V CA 1.993 63.935 62.300 -0.598 0.000 1.027 930 V CB -0.756 30.672 31.823 -0.658 0.000 0.646 930 V HN 0.338 nan 8.190 nan 0.000 0.447 931 A N -0.342 122.353 122.820 -0.207 0.000 1.883 931 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 931 A C 2.395 179.958 177.584 -0.035 0.000 1.186 931 A CA 2.346 54.323 52.037 -0.100 0.000 0.624 931 A CB -0.805 18.151 19.000 -0.074 0.000 0.822 931 A HN 0.339 nan 8.150 nan 0.000 0.444 932 V N -0.431 119.469 119.914 -0.023 0.000 2.343 932 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 932 V C 2.747 178.872 176.094 0.053 0.000 1.051 932 V CA 2.445 64.761 62.300 0.027 0.000 1.036 932 V CB -1.207 30.639 31.823 0.038 0.000 0.654 932 V HN 0.620 nan 8.190 nan 0.000 0.451 933 T N -1.107 113.480 114.554 0.055 0.000 2.720 933 T HA -0.225 4.125 4.350 -0.001 0.000 0.268 933 T C 1.756 176.549 174.700 0.155 0.000 1.037 933 T CA 1.996 64.180 62.100 0.139 0.000 1.144 933 T CB -0.441 68.587 68.868 0.266 0.000 0.864 933 T HN 0.554 nan 8.240 nan 0.000 0.444 934 C N 0.934 120.305 119.300 0.118 0.000 2.562 934 C HA 0.412 4.871 4.460 -0.001 0.000 0.266 934 C C 2.092 177.130 174.990 0.081 0.000 1.382 934 C CA -0.435 58.657 59.018 0.124 0.000 1.742 934 C CB -1.473 26.328 27.740 0.101 0.000 1.812 934 C HN 0.809 nan 8.230 nan 0.000 0.559 935 G N 1.092 109.932 108.800 0.066 0.000 2.305 935 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.287 935 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.287 935 G C -0.193 174.739 174.900 0.053 0.000 1.036 935 G CA 0.227 45.361 45.100 0.058 0.000 0.887 935 G HN 0.566 nan 8.290 nan 0.000 0.505 936 L N -0.607 120.646 121.223 0.049 0.000 2.322 936 L HA 0.549 4.889 4.340 -0.001 0.000 0.269 936 L C -1.972 174.936 176.870 0.062 0.000 1.012 936 L CA -2.683 52.190 54.840 0.054 0.000 0.815 936 L CB 1.851 43.941 42.059 0.050 0.000 1.295 936 L HN -0.148 nan 8.230 nan 0.000 0.438 937 P HA 0.063 nan 4.420 nan 0.000 0.267 937 P C 0.110 177.481 177.300 0.118 0.000 1.209 937 P CA -0.069 63.102 63.100 0.118 0.000 0.763 937 P CB 1.084 32.880 31.700 0.160 0.000 0.816 938 A N 4.382 127.267 122.820 0.108 0.000 1.927 938 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 938 A C 1.757 179.421 177.584 0.134 0.000 1.185 938 A CA 1.985 54.068 52.037 0.075 0.000 0.639 938 A CB -1.023 18.012 19.000 0.059 0.000 0.820 938 A HN 0.595 nan 8.150 nan 0.000 0.451 939 E N -0.007 120.323 120.200 0.216 0.000 2.153 939 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 939 E C 1.835 178.660 176.600 0.375 0.000 0.988 939 E CA 1.263 57.873 56.400 0.351 0.000 0.811 939 E CB -0.313 29.514 29.700 0.212 0.000 0.746 939 E HN 0.851 nan 8.360 nan 0.000 0.466 940 E N 0.785 121.142 120.200 0.262 0.000 2.072 940 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 940 E C 1.862 178.568 176.600 0.177 0.000 0.982 940 E CA 1.033 57.578 56.400 0.241 0.000 0.803 940 E CB 0.212 30.018 29.700 0.177 0.000 0.755 940 E HN 0.181 nan 8.360 nan 0.000 0.453 941 V N 1.244 121.208 119.914 0.084 0.000 2.379 941 V HA -0.188 3.931 4.120 -0.001 0.000 0.245 941 V C 2.478 178.507 176.094 -0.109 0.000 1.044 941 V CA 1.690 63.976 62.300 -0.023 0.000 1.036 941 V CB -0.538 31.238 31.823 -0.079 0.000 0.664 941 V HN 0.222 nan 8.190 nan 0.000 0.453 942 R N -0.862 119.581 120.500 -0.096 0.000 2.080 942 R HA -0.219 4.121 4.340 -0.001 0.000 0.236 942 R C 2.268 178.499 176.300 -0.116 0.000 1.137 942 R CA 2.163 58.154 56.100 -0.182 0.000 0.943 942 R CB -0.496 29.785 30.300 -0.032 0.000 0.846 942 R HN 0.714 nan 8.270 nan 0.000 0.431 943 W N 2.307 123.452 121.300 -0.258 0.000 2.333 943 W HA -0.245 4.415 4.660 -0.001 0.000 0.316 943 W C 1.776 178.207 176.519 -0.148 0.000 1.215 943 W CA 1.371 58.537 57.345 -0.297 0.000 1.278 943 W CB -0.232 29.142 29.460 -0.144 0.000 1.154 943 W HN 0.044 nan 8.180 nan 0.000 0.486 944 K N 0.254 120.601 120.400 -0.089 0.000 2.160 944 K HA -0.214 4.106 4.320 -0.001 0.000 0.206 944 K C 1.440 177.900 176.600 -0.234 0.000 1.047 944 K CA 1.721 57.918 56.287 -0.150 0.000 0.930 944 K CB -0.345 32.144 32.500 -0.017 0.000 0.720 944 K HN 0.108 nan 8.250 nan 0.000 0.450 945 N N 0.083 118.652 118.700 -0.219 0.000 2.280 945 N HA 0.005 4.745 4.740 -0.001 0.000 0.192 945 N C 0.118 175.535 175.510 -0.155 0.000 1.109 945 N CA -0.000 52.937 53.050 -0.189 0.000 0.855 945 N CB 0.290 38.644 38.487 -0.222 0.000 0.974 945 N HN 0.233 nan 8.380 nan 0.000 0.482 946 M N 1.067 120.528 119.600 -0.231 0.000 2.248 946 M HA 0.009 4.488 4.480 -0.001 0.000 0.345 946 M C -0.277 175.844 176.300 -0.298 0.000 1.243 946 M CA -0.097 55.061 55.300 -0.236 0.000 1.090 946 M CB 0.463 32.815 32.600 -0.412 0.000 1.683 946 M HN 0.045 nan 8.290 nan 0.000 0.450 947 Y N 3.967 124.092 120.300 -0.292 0.000 2.812 947 Y HA -0.076 4.474 4.550 -0.001 0.000 0.348 947 Y C 0.437 176.036 175.900 -0.501 0.000 1.274 947 Y CA 0.499 58.284 58.100 -0.524 0.000 1.489 947 Y CB 0.418 38.269 38.460 -1.015 0.000 1.348 947 Y HN 0.491 nan 8.280 nan 0.000 0.646 948 K N 0.993 121.236 120.400 -0.263 0.000 2.281 948 K HA 0.211 4.531 4.320 -0.001 0.000 0.242 948 K C -0.850 175.614 176.600 -0.227 0.000 0.971 948 K CA -1.317 54.863 56.287 -0.178 0.000 0.834 948 K CB 1.551 33.975 32.500 -0.127 0.000 1.181 948 K HN 0.472 nan 8.250 nan 0.000 0.435 949 E N 0.403 120.576 120.200 -0.046 0.000 2.820 949 E HA -0.069 4.281 4.350 -0.001 0.000 0.251 949 E C 0.748 177.289 176.600 -0.097 0.000 0.944 949 E CA 1.925 58.307 56.400 -0.030 0.000 0.955 949 E CB -0.324 29.395 29.700 0.032 0.000 0.904 949 E HN 0.733 nan 8.360 nan 0.000 0.513 950 G N 3.806 112.528 108.800 -0.130 0.000 2.176 950 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.253 950 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.253 950 G C 0.024 174.822 174.900 -0.169 0.000 0.979 950 G CA 0.046 45.074 45.100 -0.121 0.000 0.641 950 G HN 0.647 nan 8.290 nan 0.000 0.530 951 D N 0.248 120.502 120.400 -0.243 0.000 2.390 951 D HA 0.400 5.040 4.640 -0.001 0.000 0.236 951 D C 1.174 177.290 176.300 -0.308 0.000 1.189 951 D CA 0.240 54.098 54.000 -0.236 0.000 0.887 951 D CB 0.496 41.178 40.800 -0.198 0.000 1.198 951 D HN 0.323 nan 8.370 nan 0.000 0.444 952 L N 1.089 122.176 121.223 -0.228 0.000 2.322 952 L HA 0.275 4.615 4.340 -0.001 0.000 0.279 952 L C 1.244 177.934 176.870 -0.300 0.000 1.036 952 L CA -0.768 53.910 54.840 -0.269 0.000 0.807 952 L CB 1.452 43.413 42.059 -0.163 0.000 1.226 952 L HN 0.450 nan 8.230 nan 0.000 0.433 953 T N -2.765 111.476 114.554 -0.521 0.000 2.698 953 T HA 0.015 4.365 4.350 -0.001 0.000 0.295 953 T C 1.426 175.967 174.700 -0.265 0.000 1.007 953 T CA -0.255 61.556 62.100 -0.482 0.000 0.980 953 T CB 0.438 68.614 68.868 -1.153 0.000 1.036 953 T HN 0.742 nan 8.240 nan 0.000 0.526 954 H N 0.227 119.211 119.070 -0.143 0.000 2.518 954 H HA -0.032 4.524 4.556 -0.001 0.000 0.289 954 H C 1.159 176.539 175.328 0.086 0.000 1.051 954 H CA 1.105 57.164 56.048 0.018 0.000 1.280 954 H CB -0.774 29.068 29.762 0.133 0.000 1.380 954 H HN 0.777 nan 8.280 nan 0.000 0.566 955 F N 0.061 119.810 119.950 -0.335 0.000 2.639 955 F HA 0.419 4.946 4.527 -0.001 0.000 0.300 955 F C 0.048 175.841 175.800 -0.010 0.000 1.109 955 F CA -0.982 56.929 58.000 -0.149 0.000 1.335 955 F CB -0.123 38.658 39.000 -0.364 0.000 1.014 955 F HN -0.146 nan 8.300 nan 0.000 0.537 956 N N 1.329 119.886 118.700 -0.238 0.000 2.776 956 N HA -0.256 4.484 4.740 -0.001 0.000 0.250 956 N C -0.208 175.217 175.510 -0.142 0.000 1.112 956 N CA 1.069 54.040 53.050 -0.131 0.000 0.733 956 N CB -1.166 37.324 38.487 0.005 0.000 1.097 956 N HN 0.795 nan 8.380 nan 0.000 0.558 957 Q N 0.541 120.145 119.800 -0.328 0.000 2.256 957 Q HA 0.354 4.693 4.340 -0.001 0.000 0.257 957 Q C -0.280 175.593 176.000 -0.212 0.000 0.936 957 Q CA -0.631 55.079 55.803 -0.155 0.000 0.903 957 Q CB 1.016 29.790 28.738 0.060 0.000 1.263 957 Q HN 0.132 nan 8.270 nan 0.000 0.440 958 R N 3.013 123.454 120.500 -0.099 0.000 2.490 958 R HA 0.246 4.586 4.340 -0.001 0.000 0.280 958 R C -0.543 175.688 176.300 -0.115 0.000 1.077 958 R CA -0.216 55.806 56.100 -0.130 0.000 1.065 958 R CB 0.453 30.712 30.300 -0.068 0.000 1.003 958 R HN 0.564 nan 8.270 nan 0.000 0.470 959 L N 3.522 124.599 121.223 -0.244 0.000 2.288 959 L HA 0.227 4.567 4.340 -0.001 0.000 0.283 959 L C -0.015 176.832 176.870 -0.038 0.000 1.072 959 L CA -0.014 54.697 54.840 -0.215 0.000 0.862 959 L CB 0.424 42.142 42.059 -0.568 0.000 1.245 959 L HN 0.468 nan 8.230 nan 0.000 0.432 960 E N 2.366 122.622 120.200 0.093 0.000 2.156 960 E HA 0.425 4.774 4.350 -0.001 0.000 0.279 960 E C 0.647 177.348 176.600 0.168 0.000 0.965 960 E CA -0.390 56.068 56.400 0.097 0.000 0.789 960 E CB 1.674 31.421 29.700 0.077 0.000 1.098 960 E HN 0.712 nan 8.360 nan 0.000 0.397 961 G N 3.295 112.170 108.800 0.125 0.000 2.272 961 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.280 961 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.280 961 G C -0.359 174.626 174.900 0.141 0.000 1.067 961 G CA -0.257 44.919 45.100 0.127 0.000 0.902 961 G HN 0.498 nan 8.290 nan 0.000 0.500 962 F N 2.286 122.158 119.950 -0.131 0.000 2.487 962 F HA 0.460 4.986 4.527 -0.001 0.000 0.364 962 F C 1.408 176.929 175.800 -0.465 0.000 1.126 962 F CA -0.183 57.550 58.000 -0.445 0.000 1.135 962 F CB 0.727 39.524 39.000 -0.338 0.000 1.127 962 F HN 0.308 nan 8.300 nan 0.000 0.559 963 S N 2.962 118.009 115.700 -1.088 0.000 2.539 963 S HA 0.051 4.521 4.470 -0.001 0.000 0.221 963 S C 1.465 175.706 174.600 -0.598 0.000 0.987 963 S CA 0.251 58.110 58.200 -0.568 0.000 0.929 963 S CB -0.324 62.753 63.200 -0.205 0.000 0.832 963 S HN 0.394 nan 8.310 nan 0.000 0.492 964 V N 2.901 122.143 119.914 -1.119 0.000 2.332 964 V HA -0.060 4.060 4.120 -0.001 0.000 0.248 964 V C -0.477 175.496 176.094 -0.202 0.000 1.055 964 V CA 1.845 63.782 62.300 -0.606 0.000 1.038 964 V CB -1.762 29.615 31.823 -0.743 0.000 0.651 964 V HN 0.387 nan 8.190 nan 0.000 0.450 965 P HA -0.159 nan 4.420 nan 0.000 0.216 965 P C 1.748 179.164 177.300 0.194 0.000 1.150 965 P CA 1.506 64.729 63.100 0.206 0.000 0.843 965 P CB -0.105 31.723 31.700 0.213 0.000 0.787 966 R N -1.122 119.407 120.500 0.049 0.000 2.066 966 R HA -0.086 4.253 4.340 -0.001 0.000 0.232 966 R C 2.338 178.674 176.300 0.060 0.000 1.131 966 R CA 1.647 57.775 56.100 0.047 0.000 0.955 966 R CB -1.210 29.091 30.300 0.002 0.000 0.851 966 R HN 0.232 nan 8.270 nan 0.000 0.432 967 C N -0.343 118.987 119.300 0.049 0.000 2.413 967 C HA -0.153 4.306 4.460 -0.001 0.000 0.276 967 C C 2.392 177.451 174.990 0.115 0.000 1.248 967 C CA 0.153 59.213 59.018 0.069 0.000 1.742 967 C CB -1.112 26.672 27.740 0.074 0.000 2.017 967 C HN 0.664 nan 8.230 nan 0.000 0.481 968 W N 1.906 123.189 121.300 -0.029 0.000 2.354 968 W HA -0.149 4.511 4.660 -0.001 0.000 0.315 968 W C 2.173 178.638 176.519 -0.090 0.000 1.206 968 W CA 2.189 59.514 57.345 -0.034 0.000 1.290 968 W CB -0.771 28.729 29.460 0.067 0.000 1.152 968 W HN 0.395 nan 8.180 nan 0.000 0.489 969 D N 0.108 120.586 120.400 0.130 0.000 2.104 969 D HA -0.236 4.404 4.640 -0.001 0.000 0.194 969 D C 1.976 178.234 176.300 -0.070 0.000 0.994 969 D CA 2.137 56.130 54.000 -0.012 0.000 0.830 969 D CB -0.330 40.489 40.800 0.031 0.000 0.959 969 D HN 0.251 nan 8.370 nan 0.000 0.452 970 E N -0.673 119.506 120.200 -0.036 0.000 2.107 970 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 970 E C 2.220 178.767 176.600 -0.087 0.000 0.982 970 E CA 0.592 56.964 56.400 -0.047 0.000 0.809 970 E CB -0.158 29.530 29.700 -0.021 0.000 0.756 970 E HN 0.361 nan 8.360 nan 0.000 0.459 971 C N 0.745 119.970 119.300 -0.126 0.000 2.466 971 C HA -0.048 4.411 4.460 -0.001 0.000 0.278 971 C C 2.548 177.390 174.990 -0.246 0.000 1.288 971 C CA 0.361 59.276 59.018 -0.171 0.000 1.722 971 C CB -0.983 26.642 27.740 -0.191 0.000 2.017 971 C HN 0.367 nan 8.230 nan 0.000 0.488 972 L N 0.784 121.780 121.223 -0.378 0.000 1.990 972 L HA -0.226 4.114 4.340 -0.001 0.000 0.213 972 L C 2.778 179.532 176.870 -0.193 0.000 1.072 972 L CA 2.090 56.683 54.840 -0.412 0.000 0.755 972 L CB -0.671 41.074 42.059 -0.523 0.000 0.889 972 L HN 0.386 nan 8.230 nan 0.000 0.432 973 K N -0.200 120.123 120.400 -0.128 0.000 2.002 973 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 973 K C 2.290 178.859 176.600 -0.050 0.000 1.048 973 K CA 1.878 58.131 56.287 -0.057 0.000 0.930 973 K CB -0.267 32.209 32.500 -0.038 0.000 0.714 973 K HN 0.380 nan 8.250 nan 0.000 0.438 974 S N 0.429 116.092 115.700 -0.062 0.000 2.461 974 S HA -0.076 4.393 4.470 -0.001 0.000 0.228 974 S C 1.972 176.543 174.600 -0.049 0.000 1.005 974 S CA 1.073 59.244 58.200 -0.048 0.000 0.942 974 S CB -0.110 63.062 63.200 -0.047 0.000 0.776 974 S HN 0.274 nan 8.310 nan 0.000 0.514 975 S N 0.782 116.443 115.700 -0.065 0.000 2.527 975 S HA 0.086 4.555 4.470 -0.001 0.000 0.222 975 S C 0.572 175.147 174.600 -0.041 0.000 0.985 975 S CA 0.160 58.328 58.200 -0.053 0.000 0.921 975 S CB -0.830 62.335 63.200 -0.059 0.000 0.772 975 S HN 0.580 nan 8.310 nan 0.000 0.529 976 Q N -0.356 119.421 119.800 -0.039 0.000 2.453 976 Q HA -0.265 4.075 4.340 -0.001 0.000 0.330 976 Q C 0.128 176.102 176.000 -0.043 0.000 1.417 976 Q CA 0.661 56.450 55.803 -0.024 0.000 0.902 976 Q CB -2.293 26.432 28.738 -0.020 0.000 1.154 976 Q HN 0.795 nan 8.270 nan 0.000 0.395 977 Y N -0.305 119.858 120.300 -0.228 0.000 2.070 977 Y HA -0.316 4.233 4.550 -0.001 0.000 0.280 977 Y C 1.603 177.355 175.900 -0.246 0.000 1.148 977 Y CA 2.457 60.363 58.100 -0.322 0.000 1.125 977 Y CB -0.266 37.849 38.460 -0.575 0.000 0.975 977 Y HN 0.446 nan 8.280 nan 0.000 0.492 978 Y N -0.411 119.867 120.300 -0.037 0.000 2.181 978 Y HA -0.213 4.336 4.550 -0.001 0.000 0.288 978 Y C 2.677 178.495 175.900 -0.137 0.000 1.146 978 Y CA 0.857 58.896 58.100 -0.101 0.000 1.164 978 Y CB -0.750 37.721 38.460 0.020 0.000 0.982 978 Y HN 0.257 nan 8.280 nan 0.000 0.515 979 A N 0.467 123.315 122.820 0.047 0.000 1.902 979 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 979 A C 2.196 179.743 177.584 -0.060 0.000 1.181 979 A CA 1.575 53.611 52.037 -0.002 0.000 0.623 979 A CB -0.502 18.500 19.000 0.003 0.000 0.818 979 A HN 0.375 nan 8.150 nan 0.000 0.443 980 R N -0.736 119.692 120.500 -0.121 0.000 2.148 980 R HA -0.057 4.282 4.340 -0.001 0.000 0.223 980 R C 2.260 178.442 176.300 -0.196 0.000 1.088 980 R CA 1.260 57.272 56.100 -0.147 0.000 0.985 980 R CB -0.202 30.005 30.300 -0.155 0.000 0.880 980 R HN 0.604 nan 8.270 nan 0.000 0.451 981 K N 0.485 120.699 120.400 -0.309 0.000 2.097 981 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 981 K C 1.893 178.422 176.600 -0.117 0.000 1.049 981 K CA 1.617 57.733 56.287 -0.284 0.000 0.933 981 K CB 0.109 32.371 32.500 -0.396 0.000 0.717 981 K HN -0.004 nan 8.250 nan 0.000 0.442 982 S N 1.196 116.852 115.700 -0.074 0.000 2.356 982 S HA -0.110 4.360 4.470 -0.001 0.000 0.223 982 S C 1.599 176.190 174.600 -0.016 0.000 1.032 982 S CA 1.151 59.334 58.200 -0.029 0.000 1.005 982 S CB -0.216 62.976 63.200 -0.014 0.000 0.867 982 S HN 0.357 nan 8.310 nan 0.000 0.449 983 E N 0.864 121.050 120.200 -0.022 0.000 2.153 983 E HA -0.066 4.284 4.350 -0.001 0.000 0.194 983 E C 2.216 178.838 176.600 0.035 0.000 0.988 983 E CA 0.594 56.998 56.400 0.006 0.000 0.811 983 E CB -0.433 29.263 29.700 -0.007 0.000 0.746 983 E HN 0.314 nan 8.360 nan 0.000 0.466 984 V N 2.023 121.933 119.914 -0.007 0.000 2.358 984 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 984 V C 1.874 178.015 176.094 0.078 0.000 1.047 984 V CA 1.823 64.130 62.300 0.011 0.000 1.035 984 V CB -0.331 31.460 31.823 -0.054 0.000 0.658 984 V HN 0.135 nan 8.190 nan 0.000 0.452 985 D N -0.244 120.179 120.400 0.037 0.000 2.117 985 D HA -0.179 4.460 4.640 -0.001 0.000 0.198 985 D C 2.153 178.480 176.300 0.046 0.000 0.982 985 D CA 1.370 55.392 54.000 0.037 0.000 0.828 985 D CB -0.110 40.698 40.800 0.012 0.000 0.967 985 D HN 0.384 nan 8.370 nan 0.000 0.464 986 K N 0.041 120.469 120.400 0.046 0.000 2.044 986 K HA -0.193 4.127 4.320 -0.001 0.000 0.210 986 K C 2.151 178.783 176.600 0.053 0.000 1.049 986 K CA 1.031 57.340 56.287 0.037 0.000 0.927 986 K CB -0.383 32.140 32.500 0.037 0.000 0.713 986 K HN 0.028 nan 8.250 nan 0.000 0.443 987 F N 1.856 121.789 119.950 -0.028 0.000 2.126 987 F HA -0.255 4.272 4.527 -0.001 0.000 0.299 987 F C 1.767 177.549 175.800 -0.030 0.000 1.096 987 F CA 1.733 59.719 58.000 -0.024 0.000 1.255 987 F CB -0.235 38.752 39.000 -0.020 0.000 0.997 987 F HN 0.162 nan 8.300 nan 0.000 0.479 988 N N 0.513 119.320 118.700 0.178 0.000 2.166 988 N HA -0.138 4.602 4.740 -0.001 0.000 0.186 988 N C 1.692 177.158 175.510 -0.073 0.000 1.019 988 N CA 1.015 54.109 53.050 0.074 0.000 0.856 988 N CB -0.322 38.222 38.487 0.095 0.000 0.993 988 N HN 0.211 nan 8.380 nan 0.000 0.426 989 K N 1.230 121.589 120.400 -0.068 0.000 2.148 989 K HA -0.015 4.304 4.320 -0.001 0.000 0.204 989 K C 1.324 177.840 176.600 -0.141 0.000 1.050 989 K CA 0.845 57.076 56.287 -0.094 0.000 0.942 989 K CB -0.083 32.381 32.500 -0.060 0.000 0.724 989 K HN 0.460 nan 8.250 nan 0.000 0.446 990 E N 0.287 120.372 120.200 -0.192 0.000 2.474 990 E HA 0.074 4.423 4.350 -0.001 0.000 0.195 990 E C -0.143 176.275 176.600 -0.303 0.000 1.039 990 E CA -0.072 56.196 56.400 -0.220 0.000 0.881 990 E CB 0.332 29.911 29.700 -0.201 0.000 0.970 990 E HN 0.201 nan 8.360 nan 0.000 0.486 991 N N -0.129 118.345 118.700 -0.376 0.000 2.238 991 N HA 0.111 4.851 4.740 -0.001 0.000 0.302 991 N C -0.536 174.814 175.510 -0.267 0.000 1.072 991 N CA -0.285 52.544 53.050 -0.369 0.000 0.792 991 N CB 2.149 40.244 38.487 -0.654 0.000 1.425 991 N HN -0.030 nan 8.380 nan 0.000 0.478 992 C N 1.154 120.301 119.300 -0.254 0.000 2.487 992 C HA 0.272 4.732 4.460 -0.001 0.000 0.311 992 C C 1.054 175.743 174.990 -0.502 0.000 1.367 992 C CA -0.205 58.525 59.018 -0.479 0.000 1.865 992 C CB -0.603 26.762 27.740 -0.626 0.000 2.277 992 C HN 0.892 nan 8.230 nan 0.000 0.521 993 W N 1.519 122.877 121.300 0.097 0.000 3.127 993 W HA 0.420 5.079 4.660 -0.001 0.000 0.344 993 W C 0.534 177.115 176.519 0.104 0.000 1.151 993 W CA -0.355 57.062 57.345 0.120 0.000 1.765 993 W CB 0.293 29.803 29.460 0.084 0.000 1.085 993 W HN 0.046 nan 8.180 nan 0.000 0.596 994 K N 1.151 121.706 120.400 0.258 0.000 2.422 994 K HA 0.435 4.755 4.320 -0.001 0.000 0.251 994 K C -0.267 176.549 176.600 0.360 0.000 0.933 994 K CA -0.860 55.605 56.287 0.297 0.000 0.798 994 K CB 2.140 34.861 32.500 0.368 0.000 1.238 994 K HN -0.445 nan 8.250 nan 0.000 0.428 995 K N 2.110 122.700 120.400 0.317 0.000 2.477 995 K HA 0.482 4.801 4.320 -0.001 0.000 0.255 995 K C -0.722 175.954 176.600 0.125 0.000 0.952 995 K CA -0.820 55.640 56.287 0.289 0.000 0.826 995 K CB 2.383 34.967 32.500 0.139 0.000 1.331 995 K HN 0.524 nan 8.250 nan 0.000 0.437 996 R N -0.208 120.328 120.500 0.060 0.000 2.732 996 R HA 0.706 5.045 4.340 -0.001 0.000 0.278 996 R C -0.016 176.261 176.300 -0.038 0.000 0.976 996 R CA -0.906 55.121 56.100 -0.121 0.000 0.963 996 R CB 1.925 32.020 30.300 -0.342 0.000 1.150 996 R HN 0.763 nan 8.270 nan 0.000 0.478 997 G N 1.088 109.856 108.800 -0.054 0.000 2.612 997 G HA2 0.606 4.566 3.960 -0.001 0.000 0.298 997 G HA3 0.606 4.566 3.960 -0.001 0.000 0.298 997 G C -2.028 172.855 174.900 -0.028 0.000 1.336 997 G CA -0.430 44.658 45.100 -0.021 0.000 0.953 997 G HN 0.363 nan 8.290 nan 0.000 0.482 998 L N 0.724 121.945 121.223 -0.004 0.000 2.464 998 L HA 0.815 5.155 4.340 -0.001 0.000 0.266 998 L C -1.082 175.846 176.870 0.098 0.000 0.965 998 L CA -0.531 54.314 54.840 0.008 0.000 0.833 998 L CB 1.819 43.827 42.059 -0.087 0.000 1.296 998 L HN 0.787 nan 8.230 nan 0.000 0.405 999 C N 5.338 124.722 119.300 0.140 0.000 2.880 999 C HA 0.703 5.162 4.460 -0.001 0.000 0.320 999 C C -1.140 173.916 174.990 0.109 0.000 1.176 999 C CA -0.792 58.326 59.018 0.166 0.000 1.390 999 C CB 1.206 29.045 27.740 0.166 0.000 1.846 999 C HN 0.915 nan 8.230 nan 0.000 0.478 1000 I N 6.704 127.277 120.570 0.005 0.000 2.436 1000 I HA 0.733 4.902 4.170 -0.001 0.000 0.289 1000 I C -0.714 175.418 176.117 0.024 0.000 1.010 1000 I CA -0.620 60.582 61.300 -0.163 0.000 1.098 1000 I CB 1.110 38.700 38.000 -0.684 0.000 1.266 1000 I HN 0.773 nan 8.210 nan 0.000 0.434 1001 I N 6.732 127.374 120.570 0.120 0.000 2.730 1001 I HA 0.787 4.956 4.170 -0.001 0.000 0.298 1001 I C -2.939 173.390 176.117 0.353 0.000 1.089 1001 I CA -2.115 59.351 61.300 0.275 0.000 1.041 1001 I CB 2.405 40.487 38.000 0.137 0.000 1.235 1001 I HN 0.250 nan 8.210 nan 0.000 0.423 1002 P HA 0.444 nan 4.420 nan 0.000 0.285 1002 P C -0.975 176.506 177.300 0.302 0.000 1.285 1002 P CA -0.384 62.907 63.100 0.319 0.000 0.854 1002 P CB 2.147 33.960 31.700 0.189 0.000 1.180 1003 T N -1.080 113.652 114.554 0.296 0.000 2.900 1003 T HA 0.549 4.898 4.350 -0.001 0.000 0.303 1003 T C -1.398 173.493 174.700 0.318 0.000 1.142 1003 T CA -0.708 61.591 62.100 0.331 0.000 1.007 1003 T CB 0.962 70.112 68.868 0.471 0.000 1.156 1003 T HN 0.607 nan 8.240 nan 0.000 0.490 1004 K N 2.179 122.767 120.400 0.313 0.000 2.375 1004 K HA 0.766 5.085 4.320 -0.001 0.000 0.249 1004 K C -1.884 174.942 176.600 0.376 0.000 0.942 1004 K CA -0.888 55.585 56.287 0.310 0.000 0.806 1004 K CB 2.046 34.758 32.500 0.354 0.000 1.227 1004 K HN 0.448 nan 8.250 nan 0.000 0.430 1005 F N 1.199 121.215 119.950 0.110 0.000 2.617 1005 F HA 0.416 4.942 4.527 -0.001 0.000 0.325 1005 F C -0.280 175.427 175.800 -0.155 0.000 1.179 1005 F CA -0.288 57.755 58.000 0.072 0.000 0.965 1005 F CB 2.008 40.960 39.000 -0.080 0.000 1.232 1005 F HN 0.828 nan 8.300 nan 0.000 0.461 1006 G N 6.515 114.868 108.800 -0.745 0.000 2.361 1006 G HA2 0.412 4.372 3.960 -0.001 0.000 0.260 1006 G HA3 0.412 4.372 3.960 -0.001 0.000 0.260 1006 G C -0.655 173.385 174.900 -1.435 0.000 1.261 1006 G CA -0.419 43.517 45.100 -1.939 0.000 0.897 1006 G HN 0.475 nan 8.290 nan 0.000 0.499 1007 I N 1.800 121.765 120.570 -1.010 0.000 2.307 1007 I HA 0.493 4.662 4.170 -0.001 0.000 0.289 1007 I C 0.317 176.242 176.117 -0.320 0.000 1.021 1007 I CA -0.156 60.768 61.300 -0.626 0.000 1.224 1007 I CB -0.084 37.329 38.000 -0.978 0.000 1.376 1007 I HN 0.413 nan 8.210 nan 0.000 0.470 1008 S N 4.615 120.211 115.700 -0.173 0.000 2.798 1008 S HA 0.210 4.679 4.470 -0.001 0.000 0.277 1008 S C -0.711 173.824 174.600 -0.109 0.000 0.840 1008 S CA -0.926 57.209 58.200 -0.108 0.000 0.967 1008 S CB 0.172 63.352 63.200 -0.034 0.000 1.219 1008 S HN 0.280 nan 8.310 nan 0.000 0.481 1009 F N 2.140 122.033 119.950 -0.094 0.000 2.572 1009 F HA 0.143 4.670 4.527 -0.001 0.000 0.370 1009 F C 2.320 178.059 175.800 -0.103 0.000 1.103 1009 F CA 0.864 58.798 58.000 -0.110 0.000 1.286 1009 F CB 0.636 39.543 39.000 -0.154 0.000 1.105 1009 F HN 0.781 nan 8.300 nan 0.000 0.583 1010 T N -1.327 113.312 114.554 0.142 0.000 3.085 1010 T HA 0.035 4.384 4.350 -0.001 0.000 0.263 1010 T C 0.451 175.192 174.700 0.068 0.000 1.127 1010 T CA 0.142 62.272 62.100 0.050 0.000 1.103 1010 T CB -0.465 68.545 68.868 0.236 0.000 0.921 1010 T HN 0.184 nan 8.240 nan 0.000 0.510 1011 V N 3.872 123.807 119.914 0.036 0.000 2.389 1011 V HA 0.216 4.336 4.120 -0.001 0.000 0.264 1011 V C -1.303 174.657 176.094 -0.223 0.000 1.049 1011 V CA -1.619 60.591 62.300 -0.151 0.000 0.932 1011 V CB 1.084 32.670 31.823 -0.395 0.000 1.011 1011 V HN 0.169 nan 8.190 nan 0.000 0.475 1012 P HA -0.176 nan 4.420 nan 0.000 0.216 1012 P C 1.544 178.805 177.300 -0.067 0.000 1.150 1012 P CA 1.336 64.395 63.100 -0.067 0.000 0.843 1012 P CB 0.000 31.700 31.700 0.000 0.000 0.787 1013 F N -1.492 118.437 119.950 -0.036 0.000 2.502 1013 F HA 0.022 4.548 4.527 -0.001 0.000 0.298 1013 F C 1.556 177.281 175.800 -0.125 0.000 1.111 1013 F CA 0.763 58.726 58.000 -0.062 0.000 1.445 1013 F CB -1.752 37.222 39.000 -0.042 0.000 1.081 1013 F HN -0.194 nan 8.300 nan 0.000 0.558 1014 L N 0.765 121.756 121.223 -0.387 0.000 2.376 1014 L HA -0.047 4.292 4.340 -0.001 0.000 0.219 1014 L C 0.775 177.457 176.870 -0.313 0.000 1.133 1014 L CA 0.464 54.997 54.840 -0.511 0.000 0.816 1014 L CB -0.727 40.591 42.059 -1.237 0.000 0.933 1014 L HN 0.165 nan 8.230 nan 0.000 0.449 1015 N N 2.472 121.113 118.700 -0.098 0.000 3.254 1015 N HA 0.031 4.771 4.740 -0.001 0.000 0.308 1015 N C -0.375 175.048 175.510 -0.145 0.000 1.281 1015 N CA 0.187 53.225 53.050 -0.020 0.000 1.212 1015 N CB 0.157 38.632 38.487 -0.020 0.000 1.478 1015 N HN 0.546 nan 8.380 nan 0.000 0.548 1016 Q N -0.908 118.791 119.800 -0.168 0.000 2.421 1016 Q HA 0.825 5.165 4.340 -0.001 0.000 0.280 1016 Q C -1.752 174.028 176.000 -0.367 0.000 1.085 1016 Q CA -1.276 54.337 55.803 -0.316 0.000 0.807 1016 Q CB 2.381 31.046 28.738 -0.121 0.000 1.405 1016 Q HN 0.068 nan 8.270 nan 0.000 0.419 1017 A N 0.770 123.207 122.820 -0.639 0.000 2.517 1017 A HA 0.853 5.173 4.320 -0.001 0.000 0.297 1017 A C -0.822 176.597 177.584 -0.275 0.000 1.050 1017 A CA -0.149 51.651 52.037 -0.395 0.000 0.694 1017 A CB 1.861 20.486 19.000 -0.624 0.000 1.277 1017 A HN 0.904 nan 8.150 nan 0.000 0.400 1018 G N -0.186 108.747 108.800 0.222 0.000 2.473 1018 G HA2 0.889 4.849 3.960 -0.001 0.000 0.321 1018 G HA3 0.889 4.849 3.960 -0.001 0.000 0.321 1018 G C -0.416 174.686 174.900 0.337 0.000 1.200 1018 G CA -0.012 45.307 45.100 0.366 0.000 0.963 1018 G HN 1.894 nan 8.290 nan 0.000 0.483 1019 A N -0.220 122.756 122.820 0.259 0.000 2.566 1019 A HA 0.835 5.155 4.320 -0.001 0.000 0.292 1019 A C -1.852 175.797 177.584 0.108 0.000 1.112 1019 A CA -0.633 51.518 52.037 0.189 0.000 0.707 1019 A CB 2.143 21.252 19.000 0.183 0.000 1.302 1019 A HN 1.530 nan 8.150 nan 0.000 0.409 1020 L N 1.411 122.650 121.223 0.027 0.000 2.476 1020 L HA 0.735 5.074 4.340 -0.001 0.000 0.269 1020 L C -1.970 174.778 176.870 -0.202 0.000 0.965 1020 L CA -0.256 54.545 54.840 -0.065 0.000 0.845 1020 L CB 1.674 43.687 42.059 -0.077 0.000 1.259 1020 L HN 0.531 nan 8.230 nan 0.000 0.403 1021 I N 4.475 124.922 120.570 -0.206 0.000 2.498 1021 I HA 0.512 4.681 4.170 -0.001 0.000 0.290 1021 I C -0.568 175.406 176.117 -0.238 0.000 1.032 1021 I CA -0.670 60.504 61.300 -0.212 0.000 1.073 1021 I CB 1.736 39.712 38.000 -0.039 0.000 1.251 1021 I HN 0.540 nan 8.210 nan 0.000 0.426 1022 H N 4.652 123.674 119.070 -0.080 0.000 2.495 1022 H HA 0.620 5.175 4.556 -0.001 0.000 0.348 1022 H C -0.721 174.448 175.328 -0.266 0.000 1.113 1022 H CA -0.788 55.115 56.048 -0.241 0.000 1.195 1022 H CB 2.366 31.833 29.762 -0.490 0.000 1.521 1022 H HN 0.174 nan 8.280 nan 0.000 0.509 1023 V N 4.367 124.224 119.914 -0.094 0.000 2.370 1023 V HA 0.201 4.321 4.120 -0.001 0.000 0.283 1023 V C -0.210 175.765 176.094 -0.199 0.000 1.023 1023 V CA -0.761 61.513 62.300 -0.043 0.000 0.857 1023 V CB 0.056 31.928 31.823 0.081 0.000 0.985 1023 V HN 0.579 nan 8.190 nan 0.000 0.443 1024 Y N 1.862 122.208 120.300 0.076 0.000 2.334 1024 Y HA 0.227 4.777 4.550 -0.001 0.000 0.325 1024 Y C 2.099 177.959 175.900 -0.067 0.000 1.308 1024 Y CA 0.104 58.197 58.100 -0.012 0.000 1.389 1024 Y CB 0.866 39.321 38.460 -0.008 0.000 1.328 1024 Y HN 0.738 nan 8.280 nan 0.000 0.532 1025 T N -3.448 111.117 114.554 0.018 0.000 3.113 1025 T HA -0.139 4.210 4.350 -0.001 0.000 0.263 1025 T C 0.836 175.494 174.700 -0.071 0.000 1.143 1025 T CA 1.049 63.069 62.100 -0.134 0.000 1.090 1025 T CB -0.349 68.307 68.868 -0.354 0.000 0.922 1025 T HN 0.739 nan 8.240 nan 0.000 0.521 1026 D N 0.848 121.251 120.400 0.004 0.000 2.340 1026 D HA 0.176 4.815 4.640 -0.001 0.000 0.220 1026 D C 1.698 178.045 176.300 0.078 0.000 1.039 1026 D CA 0.597 54.609 54.000 0.019 0.000 0.866 1026 D CB -0.718 40.093 40.800 0.018 0.000 0.913 1026 D HN 0.563 nan 8.370 nan 0.000 0.523 1027 G N 0.468 109.333 108.800 0.108 0.000 2.199 1027 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.254 1027 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.254 1027 G C 0.406 175.577 174.900 0.451 0.000 0.982 1027 G CA 0.471 45.735 45.100 0.273 0.000 0.632 1027 G HN 0.830 nan 8.290 nan 0.000 0.529 1028 S N -0.592 115.282 115.700 0.290 0.000 2.576 1028 S HA 0.664 5.134 4.470 -0.001 0.000 0.276 1028 S C 0.044 174.848 174.600 0.339 0.000 1.339 1028 S CA -0.026 58.339 58.200 0.275 0.000 1.039 1028 S CB 2.449 65.763 63.200 0.190 0.000 0.902 1028 S HN 1.113 nan 8.310 nan 0.000 0.516 1029 V N 3.067 123.148 119.914 0.278 0.000 2.540 1029 V HA 0.547 4.667 4.120 -0.001 0.000 0.302 1029 V C -0.649 175.584 176.094 0.233 0.000 1.035 1029 V CA -0.811 61.628 62.300 0.231 0.000 0.873 1029 V CB 1.375 33.305 31.823 0.179 0.000 0.992 1029 V HN 0.883 nan 8.190 nan 0.000 0.428 1030 L N 6.021 127.370 121.223 0.210 0.000 2.325 1030 L HA 0.714 5.054 4.340 -0.001 0.000 0.281 1030 L C -0.597 176.295 176.870 0.038 0.000 1.004 1030 L CA -0.014 54.951 54.840 0.208 0.000 0.823 1030 L CB 1.746 44.037 42.059 0.387 0.000 1.236 1030 L HN 0.455 nan 8.230 nan 0.000 0.415 1031 V N 3.942 123.863 119.914 0.011 0.000 2.435 1031 V HA 0.671 4.790 4.120 -0.001 0.000 0.290 1031 V C -0.073 175.979 176.094 -0.070 0.000 1.030 1031 V CA -0.373 61.910 62.300 -0.028 0.000 0.881 1031 V CB 1.666 33.500 31.823 0.019 0.000 0.983 1031 V HN 0.838 nan 8.190 nan 0.000 0.445 1032 S N 4.455 120.107 115.700 -0.080 0.000 2.521 1032 S HA 0.743 5.213 4.470 -0.001 0.000 0.295 1032 S C -0.923 173.658 174.600 -0.032 0.000 1.098 1032 S CA -0.615 57.511 58.200 -0.124 0.000 0.999 1032 S CB 0.866 63.993 63.200 -0.121 0.000 1.034 1032 S HN 1.036 nan 8.310 nan 0.000 0.483 1033 H N 0.829 119.839 119.070 -0.100 0.000 2.990 1033 H HA 0.450 5.006 4.556 -0.001 0.000 0.343 1033 H C 0.809 175.993 175.328 -0.239 0.000 1.270 1033 H CA -0.515 55.473 56.048 -0.100 0.000 1.118 1033 H CB 1.064 30.780 29.762 -0.076 0.000 1.861 1033 H HN 0.685 nan 8.280 nan 0.000 0.544 1034 G N -0.015 108.659 108.800 -0.209 0.000 2.598 1034 G HA2 0.068 4.028 3.960 -0.001 0.000 0.215 1034 G HA3 0.068 4.028 3.960 -0.001 0.000 0.215 1034 G C 0.717 175.279 174.900 -0.564 0.000 1.131 1034 G CA 0.381 45.332 45.100 -0.248 0.000 0.785 1034 G HN 0.805 nan 8.290 nan 0.000 0.539 1035 G N -0.012 108.160 108.800 -1.047 0.000 2.444 1035 G HA2 0.458 4.418 3.960 -0.001 0.000 0.268 1035 G HA3 0.458 4.418 3.960 -0.001 0.000 0.268 1035 G C 0.109 174.863 174.900 -0.244 0.000 1.203 1035 G CA 0.348 45.106 45.100 -0.570 0.000 0.835 1035 G HN 0.353 nan 8.290 nan 0.000 0.543 1036 T N -1.263 113.201 114.554 -0.150 0.000 2.925 1036 T HA 0.562 4.911 4.350 -0.001 0.000 0.285 1036 T C -0.367 174.173 174.700 -0.267 0.000 1.021 1036 T CA -0.807 61.198 62.100 -0.159 0.000 1.042 1036 T CB 2.249 71.054 68.868 -0.105 0.000 1.037 1036 T HN 0.443 nan 8.240 nan 0.000 0.481 1037 E N 1.915 121.901 120.200 -0.358 0.000 2.167 1037 E HA 0.401 4.750 4.350 -0.001 0.000 0.284 1037 E C 0.364 176.876 176.600 -0.147 0.000 1.016 1037 E CA -0.667 55.525 56.400 -0.347 0.000 0.817 1037 E CB 0.734 30.202 29.700 -0.386 0.000 1.080 1037 E HN 0.771 nan 8.360 nan 0.000 0.397 1038 M N 2.393 121.919 119.600 -0.123 0.000 2.414 1038 M HA 0.496 4.975 4.480 -0.001 0.000 0.357 1038 M C 0.807 177.049 176.300 -0.097 0.000 1.059 1038 M CA 0.117 55.340 55.300 -0.128 0.000 0.959 1038 M CB 0.861 33.326 32.600 -0.226 0.000 1.522 1038 M HN 0.577 nan 8.290 nan 0.000 0.551 1039 G N 1.658 110.463 108.800 0.007 0.000 2.255 1039 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.196 1039 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.196 1039 G C 0.875 175.849 174.900 0.122 0.000 0.998 1039 G CA 0.338 45.476 45.100 0.063 0.000 0.656 1039 G HN 0.572 nan 8.290 nan 0.000 0.490 1040 Q N 1.603 121.436 119.800 0.055 0.000 2.435 1040 Q HA 0.316 4.656 4.340 -0.001 0.000 0.207 1040 Q C 1.622 177.651 176.000 0.049 0.000 0.956 1040 Q CA 1.539 57.373 55.803 0.051 0.000 0.917 1040 Q CB -0.314 28.427 28.738 0.005 0.000 0.997 1040 Q HN 1.946 nan 8.270 nan 0.000 0.497 1041 G N 1.755 110.574 108.800 0.031 0.000 2.149 1041 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.235 1041 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.235 1041 G C 0.342 175.155 174.900 -0.144 0.000 1.018 1041 G CA 0.380 45.394 45.100 -0.144 0.000 0.728 1041 G HN 0.388 nan 8.290 nan 0.000 0.508 1042 L N 0.172 121.316 121.223 -0.133 0.000 2.017 1042 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 1042 L C 2.593 179.436 176.870 -0.045 0.000 1.073 1042 L CA 2.952 57.732 54.840 -0.099 0.000 0.745 1042 L CB -0.514 41.478 42.059 -0.113 0.000 0.894 1042 L HN 0.410 nan 8.230 nan 0.000 0.432 1043 H N -0.812 118.230 119.070 -0.047 0.000 2.352 1043 H HA -0.106 4.450 4.556 -0.001 0.000 0.299 1043 H C 2.161 177.425 175.328 -0.107 0.000 1.097 1043 H CA 1.828 57.855 56.048 -0.036 0.000 1.311 1043 H CB -1.065 28.648 29.762 -0.082 0.000 1.377 1043 H HN 0.376 nan 8.280 nan 0.000 0.504 1044 T N 1.232 115.741 114.554 -0.075 0.000 2.635 1044 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 1044 T C 2.052 176.722 174.700 -0.049 0.000 1.040 1044 T CA 1.684 63.720 62.100 -0.108 0.000 1.156 1044 T CB -0.036 68.707 68.868 -0.208 0.000 0.863 1044 T HN 0.358 nan 8.240 nan 0.000 0.430 1045 K N 0.339 120.712 120.400 -0.045 0.000 2.057 1045 K HA 0.019 4.339 4.320 -0.001 0.000 0.207 1045 K C 2.427 179.023 176.600 -0.006 0.000 1.049 1045 K CA 1.072 57.347 56.287 -0.019 0.000 0.931 1045 K CB -0.157 32.333 32.500 -0.017 0.000 0.714 1045 K HN 0.218 nan 8.250 nan 0.000 0.440 1046 M N 0.428 120.015 119.600 -0.021 0.000 2.159 1046 M HA -0.126 4.353 4.480 -0.001 0.000 0.263 1046 M C 2.229 178.533 176.300 0.007 0.000 1.063 1046 M CA 1.309 56.589 55.300 -0.034 0.000 1.110 1046 M CB -0.687 31.840 32.600 -0.121 0.000 1.374 1046 M HN -0.046 nan 8.290 nan 0.000 0.411 1047 V N 0.243 120.162 119.914 0.007 0.000 2.427 1047 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 1047 V C 2.416 178.513 176.094 0.005 0.000 1.051 1047 V CA 1.454 63.756 62.300 0.003 0.000 1.048 1047 V CB -0.668 31.150 31.823 -0.009 0.000 0.666 1047 V HN 0.517 nan 8.190 nan 0.000 0.456 1048 Q N -0.649 119.154 119.800 0.004 0.000 2.084 1048 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 1048 Q C 2.366 178.386 176.000 0.033 0.000 0.978 1048 Q CA 1.746 57.550 55.803 0.002 0.000 0.844 1048 Q CB -0.273 28.462 28.738 -0.005 0.000 0.898 1048 Q HN 0.540 nan 8.270 nan 0.000 0.426 1049 V N 1.002 120.967 119.914 0.086 0.000 2.261 1049 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 1049 V C 2.319 178.520 176.094 0.178 0.000 1.047 1049 V CA 1.900 64.325 62.300 0.208 0.000 1.015 1049 V CB -1.057 30.883 31.823 0.195 0.000 0.642 1049 V HN 0.406 nan 8.190 nan 0.000 0.446 1050 A N -0.358 122.518 122.820 0.094 0.000 1.883 1050 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 1050 A C 2.591 180.185 177.584 0.016 0.000 1.186 1050 A CA 2.558 54.629 52.037 0.056 0.000 0.624 1050 A CB -0.990 18.028 19.000 0.031 0.000 0.822 1050 A HN 0.532 nan 8.150 nan 0.000 0.444 1051 S N -0.472 115.223 115.700 -0.009 0.000 2.359 1051 S HA -0.258 4.212 4.470 -0.001 0.000 0.224 1051 S C 2.126 176.701 174.600 -0.043 0.000 1.035 1051 S CA 2.122 60.289 58.200 -0.055 0.000 1.018 1051 S CB -0.345 62.823 63.200 -0.053 0.000 0.876 1051 S HN 0.618 nan 8.310 nan 0.000 0.448 1052 K N 0.440 120.835 120.400 -0.008 0.000 2.026 1052 K HA -0.004 4.316 4.320 -0.001 0.000 0.208 1052 K C 2.254 178.896 176.600 0.071 0.000 1.048 1052 K CA 1.255 57.533 56.287 -0.016 0.000 0.929 1052 K CB -0.595 31.831 32.500 -0.122 0.000 0.713 1052 K HN 0.419 nan 8.250 nan 0.000 0.439 1053 A N 0.943 123.859 122.820 0.161 0.000 1.898 1053 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 1053 A C 2.041 179.653 177.584 0.047 0.000 1.181 1053 A CA 1.230 53.364 52.037 0.162 0.000 0.620 1053 A CB -0.522 18.562 19.000 0.140 0.000 0.819 1053 A HN 0.327 nan 8.150 nan 0.000 0.442 1054 L N -1.742 119.483 121.223 0.003 0.000 2.395 1054 L HA 0.009 4.349 4.340 -0.001 0.000 0.218 1054 L C 0.381 177.212 176.870 -0.065 0.000 1.130 1054 L CA 0.652 55.471 54.840 -0.034 0.000 0.826 1054 L CB -0.259 41.712 42.059 -0.146 0.000 0.941 1054 L HN 0.355 nan 8.230 nan 0.000 0.451 1055 K N 1.041 121.407 120.400 -0.056 0.000 3.125 1055 K HA -0.172 4.147 4.320 -0.001 0.000 0.268 1055 K C -0.382 176.138 176.600 -0.133 0.000 1.078 1055 K CA 0.606 56.866 56.287 -0.045 0.000 0.775 1055 K CB -1.766 30.758 32.500 0.041 0.000 1.253 1055 K HN 0.528 nan 8.250 nan 0.000 0.486 1056 I N -4.111 116.311 120.570 -0.248 0.000 2.934 1056 I HA 0.656 4.825 4.170 -0.001 0.000 0.306 1056 I C -2.612 173.374 176.117 -0.218 0.000 1.110 1056 I CA -3.121 57.974 61.300 -0.343 0.000 1.019 1056 I CB 2.271 39.812 38.000 -0.765 0.000 1.227 1056 I HN -0.286 nan 8.210 nan 0.000 0.434 1057 P HA 0.158 nan 4.420 nan 0.000 0.269 1057 P C 1.169 178.412 177.300 -0.095 0.000 1.209 1057 P CA -0.178 62.858 63.100 -0.107 0.000 0.776 1057 P CB 0.581 32.232 31.700 -0.080 0.000 0.876 1058 I N 0.498 121.033 120.570 -0.058 0.000 2.315 1058 I HA -0.291 3.879 4.170 -0.001 0.000 0.251 1058 I C 1.634 177.746 176.117 -0.009 0.000 1.125 1058 I CA 2.228 63.509 61.300 -0.032 0.000 1.392 1058 I CB -1.195 36.795 38.000 -0.017 0.000 1.065 1058 I HN 0.252 nan 8.210 nan 0.000 0.424 1059 S N 0.995 116.688 115.700 -0.012 0.000 2.469 1059 S HA -0.102 4.367 4.470 -0.001 0.000 0.238 1059 S C 1.733 176.341 174.600 0.013 0.000 0.998 1059 S CA 0.874 59.079 58.200 0.008 0.000 0.957 1059 S CB -0.558 62.641 63.200 -0.002 0.000 0.764 1059 S HN 0.626 nan 8.310 nan 0.000 0.514 1060 K N 0.292 120.684 120.400 -0.014 0.000 2.444 1060 K HA 0.353 4.673 4.320 -0.001 0.000 0.193 1060 K C -0.068 176.563 176.600 0.052 0.000 1.024 1060 K CA 0.218 56.506 56.287 0.002 0.000 1.077 1060 K CB 0.078 32.528 32.500 -0.084 0.000 0.833 1060 K HN 0.463 nan 8.250 nan 0.000 0.517 1061 I N -0.001 120.604 120.570 0.059 0.000 2.603 1061 I HA 0.282 4.451 4.170 -0.001 0.000 0.300 1061 I C -1.093 175.132 176.117 0.180 0.000 1.017 1061 I CA -1.300 60.057 61.300 0.095 0.000 1.098 1061 I CB 1.437 39.456 38.000 0.032 0.000 1.279 1061 I HN -0.147 nan 8.210 nan 0.000 0.437 1062 Y N 5.596 125.909 120.300 0.022 0.000 2.504 1062 Y HA 0.628 5.177 4.550 -0.001 0.000 0.344 1062 Y C -1.362 174.523 175.900 -0.024 0.000 1.023 1062 Y CA -0.847 57.255 58.100 0.003 0.000 1.020 1062 Y CB 1.666 40.137 38.460 0.017 0.000 1.282 1062 Y HN 0.338 nan 8.280 nan 0.000 0.454 1063 I N 4.459 124.652 120.570 -0.628 0.000 2.389 1063 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 1063 I C 0.443 176.030 176.117 -0.885 0.000 0.999 1063 I CA -0.267 60.664 61.300 -0.614 0.000 1.129 1063 I CB 2.046 39.680 38.000 -0.611 0.000 1.288 1063 I HN 0.710 nan 8.210 nan 0.000 0.444 1064 S N 5.055 120.469 115.700 -0.476 0.000 2.412 1064 S HA 0.141 4.611 4.470 -0.001 0.000 0.223 1064 S C 0.330 174.806 174.600 -0.207 0.000 1.048 1064 S CA 0.597 58.653 58.200 -0.241 0.000 0.954 1064 S CB 0.264 63.508 63.200 0.073 0.000 0.840 1064 S HN 0.823 nan 8.310 nan 0.000 0.503 1065 E N -1.260 118.806 120.200 -0.223 0.000 2.435 1065 E HA 0.340 4.690 4.350 -0.001 0.000 0.277 1065 E C -1.684 174.806 176.600 -0.183 0.000 1.106 1065 E CA -0.983 55.334 56.400 -0.137 0.000 0.868 1065 E CB 0.678 30.357 29.700 -0.035 0.000 1.454 1065 E HN -0.017 nan 8.360 nan 0.000 0.452 1066 T N 1.098 115.580 114.554 -0.120 0.000 2.823 1066 T HA 0.673 5.023 4.350 -0.001 0.000 0.279 1066 T C -0.850 173.792 174.700 -0.097 0.000 0.998 1066 T CA -0.453 61.555 62.100 -0.154 0.000 0.994 1066 T CB 1.195 69.977 68.868 -0.145 0.000 0.960 1066 T HN 0.603 nan 8.240 nan 0.000 0.448 1067 S N 0.029 115.674 115.700 -0.091 0.000 2.537 1067 S HA 0.400 4.870 4.470 -0.001 0.000 0.270 1067 S C 0.922 175.491 174.600 -0.052 0.000 1.142 1067 S CA -0.609 57.552 58.200 -0.065 0.000 0.870 1067 S CB 1.295 64.467 63.200 -0.046 0.000 1.112 1067 S HN 0.723 nan 8.310 nan 0.000 0.466 1068 T N -0.985 113.537 114.554 -0.053 0.000 3.072 1068 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 1068 T C 1.141 175.828 174.700 -0.022 0.000 1.127 1068 T CA 1.212 63.290 62.100 -0.038 0.000 1.107 1068 T CB -0.754 68.085 68.868 -0.049 0.000 0.910 1068 T HN 0.739 nan 8.240 nan 0.000 0.513 1069 N N 1.559 120.247 118.700 -0.021 0.000 2.336 1069 N HA -0.010 4.730 4.740 -0.001 0.000 0.189 1069 N C 1.360 176.880 175.510 0.017 0.000 1.113 1069 N CA 0.921 53.969 53.050 -0.003 0.000 0.858 1069 N CB -0.329 38.155 38.487 -0.005 0.000 0.970 1069 N HN 0.652 nan 8.380 nan 0.000 0.471 1070 T N -3.224 111.337 114.554 0.012 0.000 3.071 1070 T HA 0.278 4.627 4.350 -0.001 0.000 0.239 1070 T C 0.429 175.145 174.700 0.027 0.000 0.997 1070 T CA 0.031 62.147 62.100 0.026 0.000 1.134 1070 T CB -0.108 68.766 68.868 0.010 0.000 0.928 1070 T HN -0.108 nan 8.240 nan 0.000 0.453 1071 V N 4.724 124.648 119.914 0.017 0.000 2.409 1071 V HA 0.524 4.644 4.120 -0.001 0.000 0.290 1071 V C -2.527 173.595 176.094 0.048 0.000 1.017 1071 V CA -1.967 60.364 62.300 0.052 0.000 0.841 1071 V CB 1.917 33.781 31.823 0.069 0.000 1.003 1071 V HN 0.364 nan 8.190 nan 0.000 0.426 1072 P HA 0.401 nan 4.420 nan 0.000 0.280 1072 P C -0.268 177.069 177.300 0.062 0.000 1.272 1072 P CA -0.414 62.709 63.100 0.038 0.000 0.819 1072 P CB 0.687 32.399 31.700 0.021 0.000 1.122 1073 N N -2.072 116.648 118.700 0.033 0.000 2.735 1073 N HA -0.128 4.612 4.740 -0.001 0.000 0.248 1073 N C -0.195 175.360 175.510 0.075 0.000 1.083 1073 N CA 1.002 54.075 53.050 0.039 0.000 0.703 1073 N CB -2.317 36.194 38.487 0.040 0.000 1.005 1073 N HN 0.613 nan 8.380 nan 0.000 0.550 1074 S N -1.636 114.109 115.700 0.074 0.000 2.565 1074 S HA 0.485 4.955 4.470 -0.001 0.000 0.276 1074 S C 0.698 175.341 174.600 0.073 0.000 1.326 1074 S CA -0.660 57.611 58.200 0.120 0.000 1.045 1074 S CB 1.808 65.083 63.200 0.125 0.000 0.918 1074 S HN 0.188 nan 8.310 nan 0.000 0.505 1075 S N 3.729 119.476 115.700 0.079 0.000 2.593 1075 S HA 0.339 4.809 4.470 -0.001 0.000 0.269 1075 S C -2.054 172.587 174.600 0.068 0.000 1.334 1075 S CA -0.833 57.346 58.200 -0.034 0.000 1.015 1075 S CB -0.197 62.888 63.200 -0.192 0.000 0.912 1075 S HN 0.712 nan 8.310 nan 0.000 0.541 1076 P HA 0.051 nan 4.420 nan 0.000 0.268 1076 P C -0.682 176.760 177.300 0.237 0.000 1.208 1076 P CA -0.135 63.032 63.100 0.110 0.000 0.777 1076 P CB 0.005 31.769 31.700 0.106 0.000 0.875 1077 T N 1.582 116.237 114.554 0.168 0.000 2.775 1077 T HA 0.510 4.859 4.350 -0.001 0.000 0.287 1077 T C 0.215 174.999 174.700 0.139 0.000 0.909 1077 T CA 0.316 62.528 62.100 0.186 0.000 1.081 1077 T CB -0.510 68.403 68.868 0.076 0.000 0.891 1077 T HN 0.634 nan 8.240 nan 0.000 0.544 1078 A N 2.304 125.217 122.820 0.153 0.000 2.540 1078 A HA 0.806 5.126 4.320 -0.001 0.000 0.291 1078 A C 0.504 177.873 177.584 -0.358 0.000 1.083 1078 A CA -0.304 51.736 52.037 0.005 0.000 0.650 1078 A CB 0.069 19.166 19.000 0.162 0.000 1.292 1078 A HN 1.587 nan 8.150 nan 0.000 0.435 1079 A N -0.615 121.911 122.820 -0.490 0.000 2.861 1079 A HA 0.055 4.374 4.320 -0.001 0.000 0.261 1079 A C 1.306 178.684 177.584 -0.344 0.000 1.351 1079 A CA 1.854 53.512 52.037 -0.632 0.000 0.904 1079 A CB -2.451 15.668 19.000 -1.468 0.000 1.076 1079 A HN 2.544 nan 8.150 nan 0.000 0.729 1080 S N -4.522 111.064 115.700 -0.191 0.000 3.146 1080 S HA -0.356 4.113 4.470 -0.001 0.000 0.285 1080 S C 1.135 175.682 174.600 -0.089 0.000 1.293 1080 S CA 2.036 60.176 58.200 -0.099 0.000 1.137 1080 S CB -2.323 60.835 63.200 -0.070 0.000 1.357 1080 S HN 2.308 nan 8.310 nan 0.000 0.678 1081 V N -1.650 118.174 119.914 -0.150 0.000 3.649 1081 V HA 0.272 4.392 4.120 -0.001 0.000 0.275 1081 V C 1.604 177.674 176.094 -0.041 0.000 1.281 1081 V CA 0.955 63.196 62.300 -0.099 0.000 1.143 1081 V CB 0.251 31.980 31.823 -0.157 0.000 0.892 1081 V HN 0.390 nan 8.190 nan 0.000 0.441 1082 S N 1.578 117.297 115.700 0.031 0.000 2.368 1082 S HA -0.166 4.303 4.470 -0.001 0.000 0.224 1082 S C 1.985 176.670 174.600 0.141 0.000 1.029 1082 S CA 2.093 60.404 58.200 0.184 0.000 0.988 1082 S CB -0.526 62.856 63.200 0.303 0.000 0.838 1082 S HN 0.754 nan 8.310 nan 0.000 0.462 1083 T N 2.374 116.961 114.554 0.055 0.000 2.746 1083 T HA -0.110 4.240 4.350 -0.001 0.000 0.267 1083 T C 1.368 176.041 174.700 -0.046 0.000 1.039 1083 T CA 1.571 63.677 62.100 0.009 0.000 1.142 1083 T CB -0.580 68.292 68.868 0.007 0.000 0.866 1083 T HN 0.307 nan 8.240 nan 0.000 0.444 1084 D N 1.244 121.616 120.400 -0.047 0.000 2.104 1084 D HA -0.065 4.574 4.640 -0.001 0.000 0.194 1084 D C 2.148 178.305 176.300 -0.238 0.000 0.994 1084 D CA 1.108 55.050 54.000 -0.097 0.000 0.830 1084 D CB -0.335 40.474 40.800 0.014 0.000 0.959 1084 D HN 0.581 nan 8.370 nan 0.000 0.452 1085 I N -2.837 117.601 120.570 -0.219 0.000 2.494 1085 I HA -0.062 4.107 4.170 -0.001 0.000 0.250 1085 I C 1.772 177.675 176.117 -0.357 0.000 1.112 1085 I CA 0.612 61.742 61.300 -0.284 0.000 1.438 1085 I CB -0.650 37.210 38.000 -0.233 0.000 1.111 1085 I HN -0.086 nan 8.210 nan 0.000 0.431 1086 Y N 2.460 122.713 120.300 -0.079 0.000 2.373 1086 Y HA 0.079 4.629 4.550 -0.001 0.000 0.293 1086 Y C 2.823 178.623 175.900 -0.166 0.000 1.129 1086 Y CA 1.054 59.086 58.100 -0.112 0.000 1.226 1086 Y CB -0.677 37.681 38.460 -0.171 0.000 1.000 1086 Y HN 0.228 nan 8.280 nan 0.000 0.549 1087 G N -0.328 108.425 108.800 -0.078 0.000 2.440 1087 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.218 1087 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.218 1087 G C 1.493 176.303 174.900 -0.149 0.000 1.154 1087 G CA 1.057 46.090 45.100 -0.111 0.000 0.767 1087 G HN 0.276 nan 8.290 nan 0.000 0.552 1088 Q N 0.463 120.089 119.800 -0.290 0.000 2.046 1088 Q HA 0.168 4.507 4.340 -0.001 0.000 0.200 1088 Q C 2.795 178.759 176.000 -0.060 0.000 0.975 1088 Q CA 1.769 57.368 55.803 -0.340 0.000 0.836 1088 Q CB -0.606 27.565 28.738 -0.944 0.000 0.896 1088 Q HN 0.370 nan 8.270 nan 0.000 0.428 1089 A N -0.625 122.185 122.820 -0.016 0.000 1.883 1089 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 1089 A C 2.282 179.931 177.584 0.109 0.000 1.186 1089 A CA 1.768 53.862 52.037 0.095 0.000 0.624 1089 A CB -1.007 18.071 19.000 0.131 0.000 0.822 1089 A HN 0.270 nan 8.150 nan 0.000 0.444 1090 V N -1.438 118.529 119.914 0.089 0.000 2.287 1090 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 1090 V C 2.346 178.489 176.094 0.082 0.000 1.053 1090 V CA 2.240 64.587 62.300 0.078 0.000 1.027 1090 V CB -1.012 30.840 31.823 0.048 0.000 0.646 1090 V HN 0.718 nan 8.190 nan 0.000 0.447 1091 Y N 1.139 121.418 120.300 -0.034 0.000 2.114 1091 Y HA -0.253 4.296 4.550 -0.001 0.000 0.282 1091 Y C 2.632 178.532 175.900 -0.001 0.000 1.165 1091 Y CA 2.134 60.211 58.100 -0.039 0.000 1.148 1091 Y CB -0.104 38.269 38.460 -0.145 0.000 0.972 1091 Y HN 0.251 nan 8.280 nan 0.000 0.504 1092 E N 0.260 120.504 120.200 0.073 0.000 2.051 1092 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 1092 E C 2.464 179.054 176.600 -0.017 0.000 0.991 1092 E CA 1.143 57.560 56.400 0.027 0.000 0.799 1092 E CB -0.888 28.893 29.700 0.134 0.000 0.748 1092 E HN 0.567 nan 8.360 nan 0.000 0.449 1093 A N 0.861 123.696 122.820 0.025 0.000 1.908 1093 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 1093 A C 2.651 180.233 177.584 -0.004 0.000 1.181 1093 A CA 1.635 53.688 52.037 0.026 0.000 0.627 1093 A CB -1.003 18.025 19.000 0.046 0.000 0.818 1093 A HN 0.356 nan 8.150 nan 0.000 0.445 1094 C N -0.997 118.276 119.300 -0.044 0.000 2.429 1094 C HA -0.096 4.364 4.460 -0.001 0.000 0.277 1094 C C 2.910 177.848 174.990 -0.086 0.000 1.262 1094 C CA 1.127 60.115 59.018 -0.049 0.000 1.733 1094 C CB -1.048 26.646 27.740 -0.077 0.000 2.010 1094 C HN 0.604 nan 8.230 nan 0.000 0.483 1095 Q N 0.462 120.138 119.800 -0.207 0.000 2.084 1095 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 1095 Q C 2.242 178.209 176.000 -0.056 0.000 0.978 1095 Q CA 2.014 57.708 55.803 -0.181 0.000 0.844 1095 Q CB -1.216 27.366 28.738 -0.260 0.000 0.898 1095 Q HN 0.658 nan 8.270 nan 0.000 0.426 1096 T N 1.901 116.439 114.554 -0.027 0.000 2.635 1096 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 1096 T C 2.091 176.811 174.700 0.033 0.000 1.040 1096 T CA 1.409 63.516 62.100 0.012 0.000 1.156 1096 T CB -0.401 68.482 68.868 0.024 0.000 0.863 1096 T HN 0.181 nan 8.240 nan 0.000 0.430 1097 I N 0.828 121.428 120.570 0.050 0.000 2.113 1097 I HA -0.217 3.953 4.170 -0.001 0.000 0.242 1097 I C 2.396 178.574 176.117 0.103 0.000 1.064 1097 I CA 1.425 62.778 61.300 0.088 0.000 1.320 1097 I CB -0.492 37.590 38.000 0.138 0.000 1.028 1097 I HN 0.203 nan 8.210 nan 0.000 0.406 1098 L N 0.182 121.466 121.223 0.101 0.000 2.042 1098 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 1098 L C 2.685 179.585 176.870 0.050 0.000 1.076 1098 L CA 1.366 56.267 54.840 0.101 0.000 0.749 1098 L CB -0.742 41.359 42.059 0.069 0.000 0.893 1098 L HN 0.258 nan 8.230 nan 0.000 0.432 1099 K N 0.275 120.692 120.400 0.028 0.000 2.063 1099 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 1099 K C 2.150 178.764 176.600 0.023 0.000 1.048 1099 K CA 1.376 57.670 56.287 0.012 0.000 0.928 1099 K CB -0.284 32.221 32.500 0.009 0.000 0.713 1099 K HN 0.381 nan 8.250 nan 0.000 0.442 1100 R N 0.536 121.068 120.500 0.052 0.000 2.148 1100 R HA 0.067 4.407 4.340 -0.001 0.000 0.223 1100 R C 2.343 178.743 176.300 0.167 0.000 1.088 1100 R CA 0.553 56.707 56.100 0.090 0.000 0.985 1100 R CB -0.129 30.222 30.300 0.085 0.000 0.880 1100 R HN 0.122 nan 8.270 nan 0.000 0.451 1101 L N 0.221 121.521 121.223 0.129 0.000 2.418 1101 L HA -0.041 4.298 4.340 -0.001 0.000 0.218 1101 L C 2.218 179.132 176.870 0.074 0.000 1.125 1101 L CA 0.441 55.386 54.840 0.175 0.000 0.835 1101 L CB -0.139 41.961 42.059 0.068 0.000 0.953 1101 L HN 0.095 nan 8.230 nan 0.000 0.454 1102 E N 1.241 121.421 120.200 -0.033 0.000 2.097 1102 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 1102 E C -0.635 175.819 176.600 -0.243 0.000 1.000 1102 E CA 1.699 58.010 56.400 -0.147 0.000 0.804 1102 E CB -0.979 28.658 29.700 -0.105 0.000 0.740 1102 E HN 0.238 nan 8.360 nan 0.000 0.454 1103 P HA -0.120 nan 4.420 nan 0.000 0.218 1103 P C 0.815 177.753 177.300 -0.602 0.000 1.148 1103 P CA 1.312 64.103 63.100 -0.515 0.000 0.822 1103 P CB -0.152 31.105 31.700 -0.739 0.000 0.784 1104 F N -0.087 119.764 119.950 -0.166 0.000 2.206 1104 F HA -0.014 4.512 4.527 -0.001 0.000 0.298 1104 F C 2.207 177.789 175.800 -0.364 0.000 1.090 1104 F CA 1.001 58.908 58.000 -0.155 0.000 1.323 1104 F CB -0.873 38.091 39.000 -0.059 0.000 1.028 1104 F HN -0.205 nan 8.300 nan 0.000 0.492 1105 K N 0.872 120.913 120.400 -0.598 0.000 2.032 1105 K HA -0.191 4.128 4.320 -0.001 0.000 0.209 1105 K C 1.975 178.310 176.600 -0.442 0.000 1.048 1105 K CA 1.531 57.158 56.287 -1.100 0.000 0.927 1105 K CB -0.275 31.582 32.500 -1.070 0.000 0.712 1105 K HN 0.237 nan 8.250 nan 0.000 0.441 1106 K N 0.970 121.191 120.400 -0.298 0.000 2.147 1106 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 1106 K C 1.949 178.492 176.600 -0.093 0.000 1.049 1106 K CA 1.228 57.415 56.287 -0.167 0.000 0.936 1106 K CB -0.030 32.371 32.500 -0.165 0.000 0.722 1106 K HN 0.137 nan 8.250 nan 0.000 0.446 1107 K N 0.258 120.606 120.400 -0.086 0.000 2.296 1107 K HA -0.059 4.260 4.320 -0.001 0.000 0.200 1107 K C 0.750 177.393 176.600 0.072 0.000 1.048 1107 K CA 0.628 56.910 56.287 -0.008 0.000 0.966 1107 K CB 0.079 32.582 32.500 0.006 0.000 0.754 1107 K HN -0.032 nan 8.250 nan 0.000 0.466 1108 N N -0.051 118.727 118.700 0.129 0.000 2.687 1108 N HA 0.114 4.854 4.740 -0.001 0.000 0.275 1108 N C -2.363 173.372 175.510 0.375 0.000 1.789 1108 N CA -1.775 51.431 53.050 0.260 0.000 0.806 1108 N CB 0.930 39.641 38.487 0.373 0.000 1.256 1108 N HN -0.178 nan 8.380 nan 0.000 0.500 1109 P HA -0.007 nan 4.420 nan 0.000 0.222 1109 P C -0.131 177.348 177.300 0.299 0.000 1.147 1109 P CA 1.100 64.327 63.100 0.212 0.000 0.790 1109 P CB 0.474 32.232 31.700 0.098 0.000 0.780 1110 D N -0.520 120.023 120.400 0.237 0.000 2.340 1110 D HA 0.138 4.778 4.640 -0.001 0.000 0.217 1110 D C 1.364 177.754 176.300 0.149 0.000 1.081 1110 D CA 0.214 54.319 54.000 0.175 0.000 0.842 1110 D CB 0.161 41.025 40.800 0.107 0.000 0.934 1110 D HN 0.135 nan 8.370 nan 0.000 0.511 1111 G N 0.484 109.420 108.800 0.228 0.000 2.543 1111 G HA2 0.397 4.357 3.960 -0.001 0.000 0.290 1111 G HA3 0.397 4.357 3.960 -0.001 0.000 0.290 1111 G C 0.165 174.811 174.900 -0.423 0.000 1.310 1111 G CA -0.333 44.762 45.100 -0.009 0.000 1.025 1111 G HN 0.150 nan 8.290 nan 0.000 0.502 1112 S N -1.303 114.018 115.700 -0.631 0.000 2.690 1112 S HA 0.205 4.675 4.470 -0.001 0.000 0.291 1112 S C 1.023 174.935 174.600 -1.146 0.000 1.138 1112 S CA -0.606 57.169 58.200 -0.708 0.000 1.013 1112 S CB 1.409 64.424 63.200 -0.308 0.000 1.053 1112 S HN 0.796 nan 8.310 nan 0.000 0.539 1113 W N 1.631 122.391 121.300 -0.900 0.000 2.304 1113 W HA -0.265 4.395 4.660 -0.000 0.000 0.315 1113 W C 1.146 177.521 176.519 -0.240 0.000 1.233 1113 W CA 2.505 59.588 57.345 -0.436 0.000 1.261 1113 W CB -0.516 28.860 29.460 -0.141 0.000 1.150 1113 W HN 0.860 nan 8.180 nan 0.000 0.494 1114 E N 0.597 120.714 120.200 -0.138 0.000 2.118 1114 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 1114 E C 1.641 178.115 176.600 -0.210 0.000 0.992 1114 E CA 2.022 58.329 56.400 -0.155 0.000 0.804 1114 E CB -0.695 28.979 29.700 -0.042 0.000 0.741 1114 E HN 0.231 nan 8.360 nan 0.000 0.458 1115 D N -0.794 119.456 120.400 -0.250 0.000 2.149 1115 D HA -0.126 4.513 4.640 -0.001 0.000 0.201 1115 D C 1.543 177.822 176.300 -0.035 0.000 0.972 1115 D CA 0.664 54.573 54.000 -0.152 0.000 0.835 1115 D CB -0.206 40.505 40.800 -0.149 0.000 0.966 1115 D HN 0.290 nan 8.370 nan 0.000 0.476 1116 W N 1.151 122.378 121.300 -0.121 0.000 2.381 1116 W HA -0.042 4.618 4.660 -0.001 0.000 0.301 1116 W C 2.295 178.616 176.519 -0.330 0.000 1.205 1116 W CA 0.049 57.306 57.345 -0.147 0.000 1.285 1116 W CB -1.297 28.101 29.460 -0.103 0.000 1.133 1116 W HN -0.136 nan 8.180 nan 0.000 0.521 1117 V N 0.685 120.445 119.914 -0.257 0.000 2.295 1117 V HA -0.327 3.792 4.120 -0.001 0.000 0.246 1117 V C 2.286 178.249 176.094 -0.218 0.000 1.049 1117 V CA 2.209 64.297 62.300 -0.353 0.000 1.024 1117 V CB -0.936 30.597 31.823 -0.484 0.000 0.648 1117 V HN 0.039 nan 8.190 nan 0.000 0.447 1118 M N 0.876 120.385 119.600 -0.152 0.000 2.117 1118 M HA -0.070 4.410 4.480 -0.001 0.000 0.262 1118 M C 2.040 178.296 176.300 -0.074 0.000 1.065 1118 M CA 2.157 57.420 55.300 -0.062 0.000 1.114 1118 M CB -0.792 31.780 32.600 -0.046 0.000 1.361 1118 M HN 0.255 nan 8.290 nan 0.000 0.408 1119 A N -0.310 122.423 122.820 -0.144 0.000 1.902 1119 A HA 0.032 4.351 4.320 -0.001 0.000 0.217 1119 A C 2.373 179.544 177.584 -0.688 0.000 1.181 1119 A CA 2.077 53.976 52.037 -0.231 0.000 0.623 1119 A CB -1.424 17.558 19.000 -0.029 0.000 0.818 1119 A HN 0.641 nan 8.150 nan 0.000 0.443 1120 A N -1.322 120.897 122.820 -1.002 0.000 1.877 1120 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 1120 A C 2.147 179.447 177.584 -0.474 0.000 1.186 1120 A CA 1.695 53.005 52.037 -1.213 0.000 0.620 1120 A CB -0.894 17.666 19.000 -0.733 0.000 0.822 1120 A HN 0.778 nan 8.150 nan 0.000 0.443 1121 Y N 0.651 120.741 120.300 -0.349 0.000 2.128 1121 Y HA -0.261 4.289 4.550 -0.001 0.000 0.284 1121 Y C 2.391 178.203 175.900 -0.146 0.000 1.154 1121 Y CA 2.406 60.390 58.100 -0.193 0.000 1.149 1121 Y CB -0.469 37.905 38.460 -0.143 0.000 0.976 1121 Y HN 0.432 nan 8.280 nan 0.000 0.505 1122 Q N -0.913 118.714 119.800 -0.288 0.000 2.369 1122 Q HA -0.155 4.185 4.340 -0.001 0.000 0.206 1122 Q C 0.939 176.804 176.000 -0.224 0.000 0.963 1122 Q CA 1.320 56.955 55.803 -0.280 0.000 0.894 1122 Q CB -0.053 28.641 28.738 -0.072 0.000 0.965 1122 Q HN 0.476 nan 8.270 nan 0.000 0.475 1123 D N -0.139 120.143 120.400 -0.196 0.000 2.328 1123 D HA 0.056 4.695 4.640 -0.001 0.000 0.221 1123 D C -0.555 175.697 176.300 -0.081 0.000 1.072 1123 D CA -0.069 53.896 54.000 -0.057 0.000 0.850 1123 D CB 0.182 41.075 40.800 0.155 0.000 0.922 1123 D HN 0.008 nan 8.370 nan 0.000 0.516 1124 R N -0.712 119.662 120.500 -0.210 0.000 3.336 1124 R HA -0.130 4.209 4.340 -0.001 0.000 0.260 1124 R C -0.891 175.362 176.300 -0.079 0.000 1.032 1124 R CA 0.051 56.041 56.100 -0.183 0.000 0.693 1124 R CB -2.256 27.961 30.300 -0.139 0.000 1.134 1124 R HN 0.042 nan 8.270 nan 0.000 0.433 1125 V N 0.794 120.667 119.914 -0.069 0.000 2.439 1125 V HA 0.191 4.311 4.120 -0.001 0.000 0.282 1125 V C 0.938 177.026 176.094 -0.011 0.000 1.039 1125 V CA -0.324 61.976 62.300 -0.000 0.000 0.913 1125 V CB 1.839 33.703 31.823 0.069 0.000 0.983 1125 V HN 0.355 nan 8.190 nan 0.000 0.460 1126 S N 4.501 120.208 115.700 0.011 0.000 2.533 1126 S HA 0.293 4.763 4.470 -0.001 0.000 0.282 1126 S C 0.343 174.956 174.600 0.022 0.000 1.304 1126 S CA -0.308 57.903 58.200 0.019 0.000 1.063 1126 S CB 0.050 63.264 63.200 0.023 0.000 0.881 1126 S HN 0.588 nan 8.310 nan 0.000 0.493 1127 L N 4.300 125.535 121.223 0.019 0.000 2.984 1127 L HA 0.349 4.689 4.340 -0.001 0.000 0.246 1127 L C 0.417 177.306 176.870 0.032 0.000 1.268 1127 L CA -0.178 54.668 54.840 0.010 0.000 1.054 1127 L CB 0.462 42.508 42.059 -0.022 0.000 1.393 1127 L HN 0.512 nan 8.230 nan 0.000 0.532 1128 S N -0.556 115.181 115.700 0.062 0.000 2.538 1128 S HA 0.728 5.198 4.470 -0.001 0.000 0.288 1128 S C -0.627 174.034 174.600 0.101 0.000 1.108 1128 S CA -0.290 57.998 58.200 0.146 0.000 0.971 1128 S CB 1.910 65.216 63.200 0.177 0.000 1.041 1128 S HN 0.104 nan 8.310 nan 0.000 0.483 1129 T N 2.025 116.632 114.554 0.089 0.000 2.885 1129 T HA 0.617 4.966 4.350 -0.001 0.000 0.322 1129 T C -0.528 174.203 174.700 0.052 0.000 1.387 1129 T CA -0.366 61.772 62.100 0.063 0.000 1.041 1129 T CB 1.392 70.292 68.868 0.052 0.000 1.287 1129 T HN 0.833 nan 8.240 nan 0.000 0.491 1130 T N 0.575 115.166 114.554 0.061 0.000 2.881 1130 T HA 0.808 5.157 4.350 -0.001 0.000 0.278 1130 T C 0.446 175.207 174.700 0.101 0.000 0.982 1130 T CA -0.425 61.722 62.100 0.079 0.000 0.989 1130 T CB 1.327 70.244 68.868 0.082 0.000 1.058 1130 T HN 0.952 nan 8.240 nan 0.000 0.529 1131 G N -0.242 108.648 108.800 0.149 0.000 2.659 1131 G HA2 0.641 4.600 3.960 -0.001 0.000 0.296 1131 G HA3 0.641 4.600 3.960 -0.001 0.000 0.296 1131 G C -2.145 172.936 174.900 0.301 0.000 1.369 1131 G CA -0.816 44.392 45.100 0.181 0.000 0.937 1131 G HN 0.717 nan 8.290 nan 0.000 0.485 1132 F N 0.798 120.813 119.950 0.108 0.000 2.641 1132 F HA 0.709 5.236 4.527 -0.001 0.000 0.308 1132 F C -1.920 173.984 175.800 0.173 0.000 1.105 1132 F CA -1.069 57.002 58.000 0.118 0.000 0.964 1132 F CB 2.343 41.386 39.000 0.073 0.000 1.294 1132 F HN 0.590 nan 8.300 nan 0.000 0.442 1133 Y N 5.046 125.032 120.300 -0.523 0.000 2.504 1133 Y HA 0.623 5.172 4.550 -0.001 0.000 0.344 1133 Y C -1.534 174.050 175.900 -0.526 0.000 1.023 1133 Y CA -1.046 56.845 58.100 -0.349 0.000 1.020 1133 Y CB 1.495 39.802 38.460 -0.254 0.000 1.282 1133 Y HN 0.707 nan 8.280 nan 0.000 0.454 1134 R N 4.159 124.089 120.500 -0.950 0.000 2.483 1134 R HA 0.404 4.743 4.340 -0.001 0.000 0.303 1134 R C -1.306 174.388 176.300 -1.009 0.000 0.987 1134 R CA -0.467 55.204 56.100 -0.715 0.000 0.881 1134 R CB 1.244 31.397 30.300 -0.245 0.000 1.177 1134 R HN 0.830 nan 8.270 nan 0.000 0.451 1135 T N 7.187 121.244 114.554 -0.827 0.000 2.867 1135 T HA 0.131 4.480 4.350 -0.001 0.000 0.297 1135 T C -2.066 172.405 174.700 -0.382 0.000 0.989 1135 T CA -0.500 61.219 62.100 -0.636 0.000 1.159 1135 T CB 0.690 69.328 68.868 -0.383 0.000 0.928 1135 T HN 0.478 nan 8.240 nan 0.000 0.538 1136 P HA 0.272 nan 4.420 nan 0.000 0.279 1136 P C -0.171 177.117 177.300 -0.019 0.000 1.252 1136 P CA -0.602 62.436 63.100 -0.104 0.000 0.811 1136 P CB 0.494 32.181 31.700 -0.022 0.000 1.035 1137 N N -0.880 117.818 118.700 -0.003 0.000 2.735 1137 N HA -0.148 4.591 4.740 -0.001 0.000 0.248 1137 N C -0.719 174.801 175.510 0.017 0.000 1.083 1137 N CA 0.804 53.868 53.050 0.023 0.000 0.703 1137 N CB -1.921 36.600 38.487 0.056 0.000 1.005 1137 N HN 0.457 nan 8.380 nan 0.000 0.550 1138 L N -0.353 120.860 121.223 -0.016 0.000 2.317 1138 L HA 0.726 5.065 4.340 -0.001 0.000 0.281 1138 L C 0.986 177.839 176.870 -0.029 0.000 1.024 1138 L CA -0.536 54.281 54.840 -0.039 0.000 0.810 1138 L CB 1.982 44.000 42.059 -0.069 0.000 1.240 1138 L HN 0.228 nan 8.230 nan 0.000 0.427 1139 G N 1.952 110.735 108.800 -0.029 0.000 3.559 1139 G HA2 0.009 3.969 3.960 -0.001 0.000 0.239 1139 G HA3 0.009 3.969 3.960 -0.001 0.000 0.239 1139 G C -1.517 173.386 174.900 0.005 0.000 3.928 1139 G CA -0.611 44.486 45.100 -0.005 0.000 0.458 1139 G HN 0.399 nan 8.290 nan 0.000 0.270 1140 Y N 2.041 122.266 120.300 -0.125 0.000 2.319 1140 Y HA 0.675 5.224 4.550 -0.001 0.000 0.328 1140 Y C 0.368 176.235 175.900 -0.055 0.000 1.133 1140 Y CA -0.198 57.818 58.100 -0.140 0.000 1.265 1140 Y CB 1.766 40.053 38.460 -0.289 0.000 1.218 1140 Y HN 0.376 nan 8.280 nan 0.000 0.508 1141 S N 5.789 120.997 115.700 -0.820 0.000 2.456 1141 S HA 0.309 4.778 4.470 -0.001 0.000 0.316 1141 S C 0.275 174.371 174.600 -0.840 0.000 1.089 1141 S CA -0.660 57.211 58.200 -0.547 0.000 1.101 1141 S CB 0.103 63.137 63.200 -0.277 0.000 0.995 1141 S HN 0.748 nan 8.310 nan 0.000 0.468 1142 F N 2.847 122.622 119.950 -0.293 0.000 2.365 1142 F HA 0.041 4.568 4.527 -0.001 0.000 0.300 1142 F C 2.202 177.959 175.800 -0.072 0.000 1.090 1142 F CA 1.041 59.001 58.000 -0.067 0.000 1.408 1142 F CB 0.057 39.114 39.000 0.095 0.000 1.060 1142 F HN 0.668 nan 8.300 nan 0.000 0.534 1143 E N -0.670 119.564 120.200 0.058 0.000 2.047 1143 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 1143 E C 2.082 178.668 176.600 -0.025 0.000 0.987 1143 E CA 1.840 58.256 56.400 0.028 0.000 0.799 1143 E CB -0.336 29.376 29.700 0.019 0.000 0.752 1143 E HN 0.379 nan 8.360 nan 0.000 0.449 1144 T N -1.809 112.683 114.554 -0.104 0.000 3.069 1144 T HA 0.041 4.390 4.350 -0.001 0.000 0.252 1144 T C 0.683 175.315 174.700 -0.113 0.000 1.053 1144 T CA 0.138 62.181 62.100 -0.096 0.000 0.964 1144 T CB -0.002 68.808 68.868 -0.097 0.000 1.005 1144 T HN 0.005 nan 8.240 nan 0.000 0.532 1145 N N 1.806 120.393 118.700 -0.188 0.000 2.707 1145 N HA -0.193 4.547 4.740 -0.001 0.000 0.253 1145 N C -0.444 175.035 175.510 -0.051 0.000 0.998 1145 N CA 0.862 53.851 53.050 -0.102 0.000 0.751 1145 N CB -1.379 37.156 38.487 0.081 0.000 0.920 1145 N HN 0.967 nan 8.380 nan 0.000 0.539 1146 S N -1.819 113.739 115.700 -0.238 0.000 2.656 1146 S HA 0.871 5.340 4.470 -0.001 0.000 0.273 1146 S C 0.081 174.620 174.600 -0.102 0.000 1.168 1146 S CA -0.050 58.109 58.200 -0.068 0.000 0.817 1146 S CB 1.657 64.825 63.200 -0.053 0.000 1.146 1146 S HN 1.463 nan 8.310 nan 0.000 0.475 1147 G N 1.226 110.034 108.800 0.012 0.000 2.895 1147 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.686 1147 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.686 1147 G C -1.115 173.844 174.900 0.098 0.000 1.108 1147 G CA -0.975 44.138 45.100 0.022 0.000 0.761 1147 G HN 0.890 nan 8.290 nan 0.000 0.611 1148 N N 0.515 119.239 118.700 0.039 0.000 2.447 1148 N HA 0.331 5.070 4.740 -0.001 0.000 0.263 1148 N C 1.317 176.727 175.510 -0.168 0.000 1.226 1148 N CA 0.676 53.721 53.050 -0.009 0.000 0.906 1148 N CB 1.464 39.953 38.487 0.003 0.000 1.060 1148 N HN 1.066 nan 8.380 nan 0.000 0.468 1149 A N 2.921 125.460 122.820 -0.469 0.000 2.030 1149 A HA 0.193 4.513 4.320 -0.001 0.000 0.215 1149 A C 0.153 176.979 177.584 -1.264 0.000 1.164 1149 A CA 0.686 52.034 52.037 -1.149 0.000 0.697 1149 A CB 0.144 17.661 19.000 -2.472 0.000 0.827 1149 A HN 0.568 nan 8.150 nan 0.000 0.457 1150 F N -3.712 115.993 119.950 -0.408 0.000 2.603 1150 F HA 0.477 5.004 4.527 -0.001 0.000 0.317 1150 F C 1.038 176.678 175.800 -0.266 0.000 1.066 1150 F CA -0.795 56.923 58.000 -0.469 0.000 0.941 1150 F CB 1.151 39.630 39.000 -0.868 0.000 1.291 1150 F HN 0.096 nan 8.300 nan 0.000 0.472 1151 H N 0.379 119.362 119.070 -0.144 0.000 2.384 1151 H HA 0.107 4.662 4.556 -0.001 0.000 0.300 1151 H C -0.820 174.568 175.328 0.100 0.000 1.057 1151 H CA 1.604 57.644 56.048 -0.012 0.000 1.370 1151 H CB 0.256 30.056 29.762 0.062 0.000 1.417 1151 H HN 0.534 nan 8.280 nan 0.000 0.527 1152 Y N -4.209 115.982 120.300 -0.182 0.000 2.914 1152 Y HA 0.449 4.998 4.550 -0.001 0.000 0.327 1152 Y C -1.789 173.856 175.900 -0.425 0.000 1.440 1152 Y CA -1.952 56.041 58.100 -0.179 0.000 1.086 1152 Y CB 0.633 39.032 38.460 -0.101 0.000 1.544 1152 Y HN -0.201 nan 8.280 nan 0.000 0.442 1153 F N 0.069 120.001 119.950 -0.031 0.000 2.563 1153 F HA 0.707 5.234 4.527 -0.001 0.000 0.316 1153 F C -0.154 175.397 175.800 -0.415 0.000 1.076 1153 F CA -0.931 56.844 58.000 -0.375 0.000 0.921 1153 F CB 2.544 41.246 39.000 -0.497 0.000 1.209 1153 F HN 0.465 nan 8.300 nan 0.000 0.462 1154 T N 1.700 116.127 114.554 -0.211 0.000 2.829 1154 T HA 0.545 4.895 4.350 -0.001 0.000 0.282 1154 T C -1.180 173.359 174.700 -0.268 0.000 0.990 1154 T CA -0.394 61.634 62.100 -0.120 0.000 1.028 1154 T CB 0.503 69.401 68.868 0.051 0.000 0.951 1154 T HN 0.315 nan 8.240 nan 0.000 0.460 1155 Y N 0.193 120.589 120.300 0.160 0.000 2.562 1155 Y HA 0.752 5.302 4.550 -0.001 0.000 0.343 1155 Y C 0.711 176.662 175.900 0.085 0.000 1.025 1155 Y CA -0.838 57.322 58.100 0.100 0.000 1.082 1155 Y CB 2.559 41.014 38.460 -0.010 0.000 1.264 1155 Y HN 0.910 nan 8.280 nan 0.000 0.478 1156 G N -0.165 108.796 108.800 0.268 0.000 2.523 1156 G HA2 0.569 4.529 3.960 -0.001 0.000 0.291 1156 G HA3 0.569 4.529 3.960 -0.001 0.000 0.291 1156 G C -2.425 172.591 174.900 0.195 0.000 1.450 1156 G CA -0.702 44.512 45.100 0.189 0.000 0.790 1156 G HN 0.493 nan 8.290 nan 0.000 0.496 1157 V N -0.400 119.606 119.914 0.153 0.000 2.851 1157 V HA 0.842 4.961 4.120 -0.001 0.000 0.307 1157 V C -0.121 176.018 176.094 0.075 0.000 1.129 1157 V CA -0.165 62.227 62.300 0.154 0.000 0.932 1157 V CB 1.603 33.524 31.823 0.163 0.000 1.024 1157 V HN 1.786 nan 8.190 nan 0.000 0.426 1158 A N 2.543 125.405 122.820 0.069 0.000 2.435 1158 A HA 0.849 5.168 4.320 -0.001 0.000 0.304 1158 A C -1.012 176.569 177.584 -0.005 0.000 1.064 1158 A CA -0.511 51.547 52.037 0.034 0.000 0.727 1158 A CB 1.888 20.959 19.000 0.117 0.000 1.284 1158 A HN 1.166 nan 8.150 nan 0.000 0.415 1159 C N 1.721 121.003 119.300 -0.029 0.000 2.364 1159 C HA 0.823 5.283 4.460 -0.001 0.000 0.324 1159 C C -0.219 174.781 174.990 0.017 0.000 1.234 1159 C CA -0.116 58.889 59.018 -0.022 0.000 1.417 1159 C CB -0.030 27.675 27.740 -0.058 0.000 2.101 1159 C HN 0.839 nan 8.230 nan 0.000 0.466 1160 S N 3.544 119.277 115.700 0.055 0.000 2.536 1160 S HA 0.645 5.114 4.470 -0.001 0.000 0.298 1160 S C -1.186 173.434 174.600 0.033 0.000 1.083 1160 S CA -0.490 57.742 58.200 0.054 0.000 0.995 1160 S CB 1.771 65.042 63.200 0.118 0.000 1.058 1160 S HN 0.881 nan 8.310 nan 0.000 0.488 1161 E N 1.452 121.654 120.200 0.003 0.000 2.248 1161 E HA 0.666 5.015 4.350 -0.001 0.000 0.267 1161 E C -1.170 175.413 176.600 -0.028 0.000 0.877 1161 E CA -0.852 55.532 56.400 -0.028 0.000 0.759 1161 E CB 1.415 31.079 29.700 -0.060 0.000 1.182 1161 E HN 0.485 nan 8.360 nan 0.000 0.418 1162 V N 0.505 120.396 119.914 -0.038 0.000 3.102 1162 V HA 0.664 4.783 4.120 -0.001 0.000 0.312 1162 V C -0.902 175.150 176.094 -0.070 0.000 1.135 1162 V CA -0.874 61.417 62.300 -0.015 0.000 1.022 1162 V CB 1.814 33.649 31.823 0.020 0.000 1.056 1162 V HN 0.853 nan 8.190 nan 0.000 0.436 1163 E N 2.107 122.279 120.200 -0.047 0.000 2.199 1163 E HA 0.642 4.991 4.350 -0.001 0.000 0.265 1163 E C -0.883 175.737 176.600 0.033 0.000 0.882 1163 E CA -0.933 55.417 56.400 -0.083 0.000 0.759 1163 E CB 1.905 31.510 29.700 -0.158 0.000 1.148 1163 E HN 0.932 nan 8.360 nan 0.000 0.412 1164 I N 0.888 121.490 120.570 0.053 0.000 2.437 1164 I HA 0.489 4.658 4.170 -0.001 0.000 0.298 1164 I C -0.323 175.864 176.117 0.116 0.000 0.984 1164 I CA -0.814 60.542 61.300 0.094 0.000 1.214 1164 I CB 1.613 39.650 38.000 0.062 0.000 1.365 1164 I HN 0.364 nan 8.210 nan 0.000 0.469 1165 D N 5.530 125.995 120.400 0.108 0.000 2.380 1165 D HA 0.215 4.855 4.640 -0.001 0.000 0.230 1165 D C 0.657 177.030 176.300 0.121 0.000 1.154 1165 D CA -0.371 53.698 54.000 0.115 0.000 0.859 1165 D CB 1.333 42.176 40.800 0.071 0.000 1.045 1165 D HN 0.768 nan 8.370 nan 0.000 0.495 1166 C N 3.440 122.849 119.300 0.181 0.000 2.432 1166 C HA -0.029 4.430 4.460 -0.001 0.000 0.282 1166 C C 2.604 177.702 174.990 0.180 0.000 1.388 1166 C CA -0.024 59.115 59.018 0.201 0.000 1.777 1166 C CB -0.841 27.075 27.740 0.293 0.000 1.882 1166 C HN 0.667 nan 8.230 nan 0.000 0.520 1167 L N 0.950 122.250 121.223 0.129 0.000 2.341 1167 L HA -0.026 4.314 4.340 -0.001 0.000 0.214 1167 L C 2.604 179.433 176.870 -0.068 0.000 1.115 1167 L CA 1.792 56.611 54.840 -0.035 0.000 0.820 1167 L CB -0.371 41.581 42.059 -0.179 0.000 0.944 1167 L HN 0.564 nan 8.230 nan 0.000 0.452 1168 T N -6.229 108.314 114.554 -0.018 0.000 2.954 1168 T HA 0.278 4.628 4.350 -0.001 0.000 0.252 1168 T C 1.451 176.151 174.700 -0.000 0.000 0.983 1168 T CA 0.573 62.656 62.100 -0.028 0.000 0.941 1168 T CB 1.059 69.908 68.868 -0.033 0.000 1.141 1168 T HN 0.270 nan 8.240 nan 0.000 0.500 1169 G N 1.397 110.213 108.800 0.027 0.000 2.199 1169 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.254 1169 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.254 1169 G C -0.148 174.789 174.900 0.061 0.000 0.982 1169 G CA 0.163 45.286 45.100 0.038 0.000 0.632 1169 G HN 0.704 nan 8.290 nan 0.000 0.529 1170 D N 1.272 121.701 120.400 0.048 0.000 2.361 1170 D HA 0.472 5.111 4.640 -0.001 0.000 0.239 1170 D C 0.709 177.075 176.300 0.110 0.000 1.200 1170 D CA 0.692 54.721 54.000 0.048 0.000 0.915 1170 D CB 0.315 41.110 40.800 -0.008 0.000 1.170 1170 D HN 0.664 nan 8.370 nan 0.000 0.444 1171 H N -0.953 118.100 119.070 -0.028 0.000 3.017 1171 H HA 0.551 5.107 4.556 -0.001 0.000 0.346 1171 H C -1.546 173.759 175.328 -0.040 0.000 1.286 1171 H CA -1.008 55.021 56.048 -0.033 0.000 1.120 1171 H CB 1.182 30.918 29.762 -0.043 0.000 1.860 1171 H HN 0.137 nan 8.280 nan 0.000 0.542 1172 K N 1.500 121.843 120.400 -0.094 0.000 2.345 1172 K HA 0.292 4.612 4.320 -0.001 0.000 0.255 1172 K C -1.201 175.386 176.600 -0.022 0.000 0.934 1172 K CA -0.582 55.622 56.287 -0.138 0.000 0.801 1172 K CB 1.033 33.484 32.500 -0.081 0.000 1.137 1172 K HN 0.580 nan 8.250 nan 0.000 0.424 1173 N N 5.444 124.116 118.700 -0.048 0.000 2.402 1173 N HA 0.150 4.890 4.740 -0.001 0.000 0.252 1173 N C 0.459 175.947 175.510 -0.036 0.000 1.118 1173 N CA 0.019 53.072 53.050 0.005 0.000 0.945 1173 N CB 0.681 39.165 38.487 -0.005 0.000 1.147 1173 N HN 0.598 nan 8.380 nan 0.000 0.495 1174 L N 1.433 122.635 121.223 -0.035 0.000 2.102 1174 L HA 0.140 4.479 4.340 -0.001 0.000 0.202 1174 L C 1.008 177.853 176.870 -0.042 0.000 1.076 1174 L CA 0.736 55.546 54.840 -0.050 0.000 0.761 1174 L CB 0.124 42.138 42.059 -0.075 0.000 0.921 1174 L HN 0.452 nan 8.230 nan 0.000 0.444 1175 R N -1.131 119.345 120.500 -0.040 0.000 2.644 1175 R HA 0.333 4.673 4.340 -0.001 0.000 0.257 1175 R C -1.731 174.548 176.300 -0.036 0.000 1.082 1175 R CA -0.323 55.758 56.100 -0.032 0.000 0.927 1175 R CB 1.853 32.136 30.300 -0.028 0.000 1.258 1175 R HN -0.231 nan 8.270 nan 0.000 0.459 1176 T N 2.544 117.071 114.554 -0.044 0.000 2.921 1176 T HA 0.366 4.716 4.350 -0.001 0.000 0.297 1176 T C -1.721 172.960 174.700 -0.031 0.000 1.013 1176 T CA -0.599 61.456 62.100 -0.074 0.000 0.990 1176 T CB 1.608 70.315 68.868 -0.269 0.000 1.023 1176 T HN 0.544 nan 8.240 nan 0.000 0.447 1177 D N 1.993 122.362 120.400 -0.052 0.000 2.502 1177 D HA 0.616 5.256 4.640 -0.001 0.000 0.249 1177 D C -0.596 175.661 176.300 -0.072 0.000 1.092 1177 D CA -0.318 53.650 54.000 -0.052 0.000 0.839 1177 D CB 1.487 42.254 40.800 -0.054 0.000 1.264 1177 D HN 0.353 nan 8.370 nan 0.000 0.511 1178 I N 1.669 122.193 120.570 -0.076 0.000 2.569 1178 I HA 0.485 4.655 4.170 -0.001 0.000 0.296 1178 I C -0.810 175.283 176.117 -0.040 0.000 1.028 1178 I CA -1.105 60.161 61.300 -0.057 0.000 1.082 1178 I CB 2.127 40.085 38.000 -0.069 0.000 1.264 1178 I HN 0.014 nan 8.210 nan 0.000 0.429 1179 V N 6.196 126.103 119.914 -0.011 0.000 2.443 1179 V HA 0.459 4.578 4.120 -0.001 0.000 0.293 1179 V C -0.470 175.646 176.094 0.036 0.000 1.021 1179 V CA -0.421 61.880 62.300 0.001 0.000 0.848 1179 V CB 1.684 33.505 31.823 -0.003 0.000 0.998 1179 V HN 0.646 nan 8.190 nan 0.000 0.424 1180 M N 4.172 123.794 119.600 0.036 0.000 2.393 1180 M HA 0.533 5.012 4.480 -0.001 0.000 0.316 1180 M C -0.880 175.462 176.300 0.071 0.000 1.087 1180 M CA -0.409 54.930 55.300 0.066 0.000 0.937 1180 M CB 1.751 34.383 32.600 0.054 0.000 1.668 1180 M HN 0.639 nan 8.290 nan 0.000 0.438 1181 D N 3.599 124.065 120.400 0.111 0.000 2.411 1181 D HA 0.310 4.949 4.640 -0.001 0.000 0.225 1181 D C 0.100 176.468 176.300 0.114 0.000 1.156 1181 D CA -0.307 53.764 54.000 0.119 0.000 0.874 1181 D CB 0.716 41.628 40.800 0.185 0.000 1.034 1181 D HN 0.425 nan 8.370 nan 0.000 0.502 1182 V N 2.063 122.022 119.914 0.075 0.000 3.121 1182 V HA 0.600 4.720 4.120 -0.001 0.000 0.344 1182 V C 1.166 177.286 176.094 0.042 0.000 1.390 1182 V CA 0.251 62.590 62.300 0.065 0.000 1.177 1182 V CB -0.440 31.412 31.823 0.047 0.000 1.163 1182 V HN 0.679 nan 8.190 nan 0.000 0.484 1183 G N 1.485 110.308 108.800 0.038 0.000 2.564 1183 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.273 1183 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.273 1183 G C 0.023 174.925 174.900 0.003 0.000 1.242 1183 G CA 0.040 45.142 45.100 0.004 0.000 0.951 1183 G HN 1.022 nan 8.290 nan 0.000 0.564 1184 S N 0.348 116.043 115.700 -0.008 0.000 2.399 1184 S HA 0.526 4.996 4.470 -0.001 0.000 0.301 1184 S C 0.522 175.124 174.600 0.002 0.000 1.093 1184 S CA 0.597 58.795 58.200 -0.003 0.000 1.077 1184 S CB 1.262 64.460 63.200 -0.004 0.000 0.980 1184 S HN 1.270 nan 8.310 nan 0.000 0.494 1185 S N 3.541 119.242 115.700 0.002 0.000 2.537 1185 S HA 0.145 4.615 4.470 -0.001 0.000 0.286 1185 S C 1.339 175.941 174.600 0.004 0.000 1.299 1185 S CA -0.630 57.573 58.200 0.006 0.000 1.067 1185 S CB 0.023 63.225 63.200 0.003 0.000 0.864 1185 S HN 0.663 nan 8.310 nan 0.000 0.494 1186 L N 3.410 124.642 121.223 0.014 0.000 2.141 1186 L HA 0.049 4.388 4.340 -0.001 0.000 0.209 1186 L C 1.131 177.998 176.870 -0.004 0.000 1.094 1186 L CA 0.703 55.551 54.840 0.013 0.000 0.763 1186 L CB -0.277 41.802 42.059 0.033 0.000 0.908 1186 L HN 0.646 nan 8.230 nan 0.000 0.437 1187 N N -1.317 117.382 118.700 -0.001 0.000 2.747 1187 N HA 0.138 4.878 4.740 -0.001 0.000 0.262 1187 N C -2.322 173.187 175.510 -0.001 0.000 1.261 1187 N CA -1.113 51.934 53.050 -0.004 0.000 0.809 1187 N CB 1.542 40.027 38.487 -0.003 0.000 1.450 1187 N HN -0.291 nan 8.380 nan 0.000 0.560 1188 P HA -0.071 nan 4.420 nan 0.000 0.216 1188 P C 1.063 178.358 177.300 -0.009 0.000 1.150 1188 P CA 1.328 64.423 63.100 -0.008 0.000 0.837 1188 P CB 0.394 32.086 31.700 -0.013 0.000 0.786 1189 A N -0.441 122.377 122.820 -0.004 0.000 1.873 1189 A HA -0.163 4.156 4.320 -0.001 0.000 0.215 1189 A C 2.091 179.681 177.584 0.010 0.000 1.186 1189 A CA 1.441 53.478 52.037 -0.000 0.000 0.616 1189 A CB -1.477 17.528 19.000 0.009 0.000 0.823 1189 A HN 0.014 nan 8.150 nan 0.000 0.442 1190 I N 0.788 121.370 120.570 0.019 0.000 2.179 1190 I HA -0.192 3.978 4.170 -0.001 0.000 0.242 1190 I C 1.763 177.895 176.117 0.026 0.000 1.088 1190 I CA 1.562 62.882 61.300 0.032 0.000 1.357 1190 I CB -1.588 36.428 38.000 0.028 0.000 1.051 1190 I HN 0.275 nan 8.210 nan 0.000 0.409 1191 D N 0.654 121.063 120.400 0.015 0.000 2.117 1191 D HA -0.092 4.548 4.640 -0.001 0.000 0.198 1191 D C 2.381 178.683 176.300 0.005 0.000 0.982 1191 D CA 0.995 55.003 54.000 0.014 0.000 0.828 1191 D CB -0.156 40.652 40.800 0.012 0.000 0.967 1191 D HN 0.297 nan 8.370 nan 0.000 0.464 1192 I N 0.923 121.485 120.570 -0.013 0.000 2.286 1192 I HA -0.160 4.010 4.170 -0.001 0.000 0.248 1192 I C 2.455 178.547 176.117 -0.042 0.000 1.115 1192 I CA 1.226 62.500 61.300 -0.044 0.000 1.392 1192 I CB -0.301 37.659 38.000 -0.067 0.000 1.065 1192 I HN 0.022 nan 8.210 nan 0.000 0.418 1193 G N -0.175 108.618 108.800 -0.012 0.000 2.422 1193 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 1193 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 1193 G C 1.589 176.515 174.900 0.044 0.000 1.146 1193 G CA 0.346 45.453 45.100 0.011 0.000 0.769 1193 G HN 0.278 nan 8.290 nan 0.000 0.547 1194 Q N 0.163 119.992 119.800 0.049 0.000 2.079 1194 Q HA -0.024 4.316 4.340 -0.001 0.000 0.200 1194 Q C 3.006 179.053 176.000 0.078 0.000 0.974 1194 Q CA 0.935 56.781 55.803 0.071 0.000 0.840 1194 Q CB -0.690 28.081 28.738 0.056 0.000 0.898 1194 Q HN 0.408 nan 8.270 nan 0.000 0.430 1195 V N 1.655 121.600 119.914 0.052 0.000 2.287 1195 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 1195 V C 2.154 178.324 176.094 0.127 0.000 1.053 1195 V CA 2.031 64.374 62.300 0.071 0.000 1.027 1195 V CB -0.572 31.264 31.823 0.022 0.000 0.646 1195 V HN 0.394 nan 8.190 nan 0.000 0.447 1196 E N 0.349 120.579 120.200 0.051 0.000 2.051 1196 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 1196 E C 2.346 179.114 176.600 0.280 0.000 0.991 1196 E CA 1.301 57.774 56.400 0.120 0.000 0.799 1196 E CB -0.552 29.067 29.700 -0.136 0.000 0.748 1196 E HN 0.646 nan 8.360 nan 0.000 0.449 1197 G N 1.259 110.164 108.800 0.175 0.000 2.421 1197 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 1197 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 1197 G C 1.709 176.705 174.900 0.160 0.000 1.171 1197 G CA 0.939 46.139 45.100 0.166 0.000 0.775 1197 G HN 0.348 nan 8.290 nan 0.000 0.543 1198 A N 0.598 123.519 122.820 0.168 0.000 1.858 1198 A HA 0.040 4.360 4.320 -0.001 0.000 0.216 1198 A C 2.199 179.866 177.584 0.139 0.000 1.190 1198 A CA 1.658 53.775 52.037 0.133 0.000 0.617 1198 A CB -0.711 18.355 19.000 0.110 0.000 0.827 1198 A HN 0.458 nan 8.150 nan 0.000 0.443 1199 F N 0.893 120.900 119.950 0.094 0.000 2.120 1199 F HA -0.215 4.311 4.527 -0.001 0.000 0.300 1199 F C 2.136 177.971 175.800 0.058 0.000 1.095 1199 F CA 2.215 60.278 58.000 0.104 0.000 1.249 1199 F CB -0.261 38.857 39.000 0.196 0.000 0.995 1199 F HN 0.033 nan 8.300 nan 0.000 0.480 1200 V N 0.304 120.323 119.914 0.176 0.000 2.427 1200 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 1200 V C 2.313 178.311 176.094 -0.161 0.000 1.051 1200 V CA 2.149 64.435 62.300 -0.023 0.000 1.048 1200 V CB -0.778 31.110 31.823 0.107 0.000 0.666 1200 V HN 0.423 nan 8.190 nan 0.000 0.456 1201 Q N -0.093 119.635 119.800 -0.120 0.000 2.124 1201 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 1201 Q C 2.366 178.196 176.000 -0.282 0.000 0.977 1201 Q CA 1.590 57.286 55.803 -0.177 0.000 0.850 1201 Q CB -0.440 28.228 28.738 -0.117 0.000 0.901 1201 Q HN 0.735 nan 8.270 nan 0.000 0.429 1202 G N 1.271 109.902 108.800 -0.281 0.000 2.404 1202 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.215 1202 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.215 1202 G C 1.428 176.138 174.900 -0.317 0.000 1.174 1202 G CA 0.924 45.824 45.100 -0.333 0.000 0.780 1202 G HN 0.365 nan 8.290 nan 0.000 0.537 1203 L N 1.626 122.604 121.223 -0.409 0.000 2.042 1203 L HA 0.139 4.479 4.340 -0.001 0.000 0.210 1203 L C 2.466 179.204 176.870 -0.219 0.000 1.076 1203 L CA 2.462 57.111 54.840 -0.319 0.000 0.749 1203 L CB -1.352 40.425 42.059 -0.470 0.000 0.893 1203 L HN 0.104 nan 8.230 nan 0.000 0.432 1204 G N 0.075 108.716 108.800 -0.265 0.000 2.421 1204 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.216 1204 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.216 1204 G C 1.582 176.294 174.900 -0.313 0.000 1.171 1204 G CA 0.995 45.938 45.100 -0.261 0.000 0.775 1204 G HN 0.485 nan 8.290 nan 0.000 0.543 1205 L N -0.094 120.857 121.223 -0.453 0.000 2.013 1205 L HA 0.005 4.345 4.340 -0.001 0.000 0.212 1205 L C 2.441 178.952 176.870 -0.599 0.000 1.073 1205 L CA 1.822 56.276 54.840 -0.643 0.000 0.753 1205 L CB -0.647 40.797 42.059 -1.024 0.000 0.890 1205 L HN 0.276 nan 8.230 nan 0.000 0.432 1206 F N -1.527 118.254 119.950 -0.281 0.000 2.743 1206 F HA 0.029 4.555 4.527 -0.001 0.000 0.297 1206 F C 1.938 177.706 175.800 -0.052 0.000 1.131 1206 F CA 0.722 58.569 58.000 -0.254 0.000 1.426 1206 F CB -0.220 38.621 39.000 -0.265 0.000 1.116 1206 F HN 0.321 nan 8.300 nan 0.000 0.583 1207 T N -4.840 109.744 114.554 0.050 0.000 2.992 1207 T HA 0.213 4.563 4.350 -0.001 0.000 0.255 1207 T C 1.021 175.722 174.700 0.001 0.000 0.938 1207 T CA 0.152 62.278 62.100 0.043 0.000 0.895 1207 T CB 0.035 68.923 68.868 0.034 0.000 1.221 1207 T HN 0.060 nan 8.240 nan 0.000 0.512 1208 L N 0.418 121.590 121.223 -0.084 0.000 2.713 1208 L HA 0.538 4.878 4.340 -0.001 0.000 0.223 1208 L C 0.191 176.922 176.870 -0.232 0.000 1.040 1208 L CA 0.430 55.189 54.840 -0.135 0.000 0.894 1208 L CB 0.373 42.329 42.059 -0.172 0.000 1.361 1208 L HN 0.203 nan 8.230 nan 0.000 0.490 1209 E N 1.293 121.314 120.200 -0.300 0.000 2.194 1209 E HA 0.305 4.655 4.350 -0.001 0.000 0.284 1209 E C -0.393 176.092 176.600 -0.192 0.000 1.035 1209 E CA 0.010 56.123 56.400 -0.478 0.000 0.836 1209 E CB 0.960 30.370 29.700 -0.482 0.000 1.070 1209 E HN 0.058 nan 8.360 nan 0.000 0.401 1210 E N 4.370 124.507 120.200 -0.106 0.000 2.281 1210 E HA 0.220 4.569 4.350 -0.001 0.000 0.266 1210 E C -1.362 175.416 176.600 0.296 0.000 0.893 1210 E CA -0.465 56.007 56.400 0.120 0.000 0.798 1210 E CB 0.945 30.686 29.700 0.068 0.000 1.245 1210 E HN 0.408 nan 8.360 nan 0.000 0.410 1211 L N 3.805 125.221 121.223 0.322 0.000 2.312 1211 L HA 0.445 4.785 4.340 -0.001 0.000 0.281 1211 L C -0.299 176.690 176.870 0.198 0.000 1.070 1211 L CA -0.647 54.320 54.840 0.211 0.000 0.805 1211 L CB 0.951 43.098 42.059 0.148 0.000 1.174 1211 L HN 0.562 nan 8.230 nan 0.000 0.434 1212 H N 2.151 121.166 119.070 -0.092 0.000 2.667 1212 H HA 0.505 5.061 4.556 -0.001 0.000 0.353 1212 H C -1.619 173.605 175.328 -0.174 0.000 1.072 1212 H CA -0.484 55.584 56.048 0.033 0.000 1.214 1212 H CB 1.149 30.986 29.762 0.124 0.000 1.600 1212 H HN 0.296 nan 8.280 nan 0.000 0.527 1213 Y N 1.766 121.858 120.300 -0.346 0.000 2.468 1213 Y HA 0.323 4.873 4.550 -0.001 0.000 0.342 1213 Y C 0.589 176.223 175.900 -0.444 0.000 1.021 1213 Y CA -0.733 57.166 58.100 -0.336 0.000 1.079 1213 Y CB 1.784 40.135 38.460 -0.182 0.000 1.226 1213 Y HN 0.743 nan 8.280 nan 0.000 0.460 1214 S N 2.569 118.047 115.700 -0.370 0.000 2.576 1214 S HA 0.097 4.567 4.470 -0.001 0.000 0.272 1214 S C -1.755 172.819 174.600 -0.043 0.000 1.352 1214 S CA -0.929 57.179 58.200 -0.152 0.000 1.021 1214 S CB 0.846 63.934 63.200 -0.186 0.000 0.887 1214 S HN 0.548 nan 8.310 nan 0.000 0.542 1215 P HA -0.083 nan 4.420 nan 0.000 0.219 1215 P C 0.565 177.853 177.300 -0.019 0.000 1.146 1215 P CA 1.227 64.326 63.100 -0.003 0.000 0.808 1215 P CB -0.118 31.591 31.700 0.015 0.000 0.779 1216 E N -1.009 119.178 120.200 -0.023 0.000 2.511 1216 E HA 0.210 4.560 4.350 -0.001 0.000 0.196 1216 E C 1.374 177.953 176.600 -0.035 0.000 1.066 1216 E CA 0.750 57.132 56.400 -0.030 0.000 0.871 1216 E CB -0.814 28.867 29.700 -0.032 0.000 0.863 1216 E HN 0.275 nan 8.360 nan 0.000 0.520 1217 G N 0.562 109.343 108.800 -0.031 0.000 2.130 1217 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.216 1217 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.216 1217 G C 0.195 175.130 174.900 0.057 0.000 0.999 1217 G CA 0.278 45.371 45.100 -0.011 0.000 0.686 1217 G HN 0.265 nan 8.290 nan 0.000 0.515 1218 S N -0.183 115.511 115.700 -0.011 0.000 2.438 1218 S HA 0.625 5.094 4.470 -0.001 0.000 0.293 1218 S C 0.409 174.906 174.600 -0.172 0.000 1.141 1218 S CA -0.626 57.539 58.200 -0.057 0.000 1.080 1218 S CB 0.860 63.989 63.200 -0.118 0.000 0.978 1218 S HN 1.266 nan 8.310 nan 0.000 0.479 1219 L N 6.678 127.833 121.223 -0.114 0.000 2.513 1219 L HA 0.237 4.577 4.340 -0.001 0.000 0.272 1219 L C 1.112 177.814 176.870 -0.280 0.000 1.187 1219 L CA 0.761 55.377 54.840 -0.374 0.000 0.895 1219 L CB 0.260 42.148 42.059 -0.285 0.000 1.147 1219 L HN 0.802 nan 8.230 nan 0.000 0.483 1220 H N 1.980 120.942 119.070 -0.180 0.000 2.431 1220 H HA 0.072 4.628 4.556 -0.001 0.000 0.295 1220 H C 0.287 175.608 175.328 -0.011 0.000 1.038 1220 H CA 1.164 57.189 56.048 -0.038 0.000 1.360 1220 H CB -0.001 29.801 29.762 0.067 0.000 1.433 1220 H HN 0.706 nan 8.280 nan 0.000 0.536 1221 T N 0.042 114.649 114.554 0.087 0.000 2.875 1221 T HA 0.401 4.751 4.350 -0.001 0.000 0.307 1221 T C 0.784 175.513 174.700 0.048 0.000 1.013 1221 T CA -0.627 61.538 62.100 0.108 0.000 0.970 1221 T CB 0.619 69.588 68.868 0.168 0.000 0.986 1221 T HN 0.194 nan 8.240 nan 0.000 0.536 1222 R N 1.816 122.363 120.500 0.078 0.000 2.565 1222 R HA 0.443 4.783 4.340 -0.001 0.000 0.347 1222 R C 0.739 177.099 176.300 0.100 0.000 1.010 1222 R CA -0.493 55.640 56.100 0.054 0.000 1.126 1222 R CB 1.234 31.561 30.300 0.045 0.000 1.331 1222 R HN 0.795 nan 8.270 nan 0.000 0.552 1223 G N 0.391 109.295 108.800 0.173 0.000 2.550 1223 G HA2 0.175 4.135 3.960 -0.001 0.000 0.293 1223 G HA3 0.175 4.135 3.960 -0.001 0.000 0.293 1223 G C -2.603 172.492 174.900 0.324 0.000 1.402 1223 G CA -0.727 44.519 45.100 0.242 0.000 0.784 1223 G HN -0.304 nan 8.290 nan 0.000 0.482 1224 P HA -0.032 nan 4.420 nan 0.000 0.230 1224 P C 1.736 179.101 177.300 0.110 0.000 1.158 1224 P CA 1.656 64.887 63.100 0.219 0.000 0.769 1224 P CB 0.220 32.060 31.700 0.232 0.000 0.807 1225 S N -0.651 115.118 115.700 0.115 0.000 2.428 1225 S HA -0.058 4.412 4.470 -0.001 0.000 0.230 1225 S C 1.663 176.300 174.600 0.061 0.000 1.014 1225 S CA 1.565 59.806 58.200 0.069 0.000 0.957 1225 S CB -1.519 61.720 63.200 0.064 0.000 0.784 1225 S HN 0.311 nan 8.310 nan 0.000 0.499 1226 T N -3.516 111.099 114.554 0.102 0.000 3.003 1226 T HA 0.302 4.652 4.350 -0.001 0.000 0.261 1226 T C -0.284 174.508 174.700 0.153 0.000 1.003 1226 T CA -0.407 61.754 62.100 0.101 0.000 0.917 1226 T CB -0.265 68.672 68.868 0.114 0.000 1.084 1226 T HN 0.379 nan 8.240 nan 0.000 0.522 1227 Y N 2.441 122.753 120.300 0.020 0.000 2.332 1227 Y HA 0.560 5.110 4.550 -0.001 0.000 0.326 1227 Y C -1.304 174.540 175.900 -0.094 0.000 0.978 1227 Y CA -1.442 56.655 58.100 -0.005 0.000 1.205 1227 Y CB 1.158 39.656 38.460 0.064 0.000 1.131 1227 Y HN -0.202 nan 8.280 nan 0.000 0.462 1228 K N 8.520 128.629 120.400 -0.485 0.000 2.292 1228 K HA 0.331 4.651 4.320 -0.001 0.000 0.270 1228 K C -0.244 176.034 176.600 -0.537 0.000 1.062 1228 K CA -0.417 55.631 56.287 -0.398 0.000 0.916 1228 K CB 0.662 33.013 32.500 -0.249 0.000 1.166 1228 K HN 0.844 nan 8.250 nan 0.000 0.458 1229 I N -0.419 119.847 120.570 -0.508 0.000 2.764 1229 I HA 0.416 4.585 4.170 -0.001 0.000 0.294 1229 I C -2.063 173.882 176.117 -0.286 0.000 1.045 1229 I CA -2.450 58.600 61.300 -0.417 0.000 1.340 1229 I CB 0.259 37.994 38.000 -0.442 0.000 1.436 1229 I HN 0.200 nan 8.210 nan 0.000 0.567 1230 P HA 0.154 nan 4.420 nan 0.000 0.266 1230 P C -0.771 176.441 177.300 -0.147 0.000 1.195 1230 P CA 0.056 63.054 63.100 -0.170 0.000 0.768 1230 P CB 0.649 32.258 31.700 -0.152 0.000 0.838 1231 A N 2.023 124.783 122.820 -0.101 0.000 2.312 1231 A HA 0.490 4.810 4.320 -0.001 0.000 0.310 1231 A C 0.747 178.327 177.584 -0.007 0.000 1.139 1231 A CA -0.552 51.462 52.037 -0.037 0.000 0.886 1231 A CB -0.051 18.955 19.000 0.010 0.000 1.350 1231 A HN 0.438 nan 8.150 nan 0.000 0.479 1232 F N 0.337 120.276 119.950 -0.019 0.000 2.154 1232 F HA -0.132 4.394 4.527 -0.001 0.000 0.301 1232 F C 2.427 178.221 175.800 -0.010 0.000 1.087 1232 F CA 2.538 60.538 58.000 0.000 0.000 1.274 1232 F CB -0.100 38.902 39.000 0.005 0.000 1.009 1232 F HN 0.629 nan 8.300 nan 0.000 0.485 1233 G N -2.115 106.781 108.800 0.160 0.000 2.985 1233 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.209 1233 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.209 1233 G C 1.453 176.347 174.900 -0.010 0.000 1.165 1233 G CA 0.564 45.701 45.100 0.062 0.000 0.776 1233 G HN 0.304 nan 8.290 nan 0.000 0.541 1234 S N 0.246 115.927 115.700 -0.032 0.000 2.470 1234 S HA 0.122 4.592 4.470 -0.001 0.000 0.225 1234 S C 1.225 175.773 174.600 -0.087 0.000 1.006 1234 S CA -0.219 57.931 58.200 -0.083 0.000 0.934 1234 S CB -0.122 63.020 63.200 -0.098 0.000 0.778 1234 S HN 0.625 nan 8.310 nan 0.000 0.517 1235 I N 0.344 120.874 120.570 -0.067 0.000 2.779 1235 I HA 0.346 4.516 4.170 -0.001 0.000 0.285 1235 I C -2.941 173.092 176.117 -0.141 0.000 1.134 1235 I CA -2.499 58.728 61.300 -0.122 0.000 1.398 1235 I CB -0.084 37.880 38.000 -0.060 0.000 1.404 1235 I HN -0.205 nan 8.210 nan 0.000 0.587 1236 P HA 0.020 nan 4.420 nan 0.000 0.262 1236 P C 0.469 177.728 177.300 -0.068 0.000 1.182 1236 P CA 0.191 63.184 63.100 -0.179 0.000 0.761 1236 P CB 0.564 32.084 31.700 -0.299 0.000 0.795 1237 T N 1.006 115.542 114.554 -0.030 0.000 2.699 1237 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 1237 T C 0.683 175.406 174.700 0.038 0.000 1.036 1237 T CA 1.465 63.570 62.100 0.007 0.000 1.147 1237 T CB -0.186 68.678 68.868 -0.007 0.000 0.862 1237 T HN 0.424 nan 8.240 nan 0.000 0.446 1238 E N 0.336 120.555 120.200 0.031 0.000 2.129 1238 E HA 0.396 4.745 4.350 -0.001 0.000 0.268 1238 E C -1.610 175.061 176.600 0.119 0.000 0.900 1238 E CA -0.400 56.036 56.400 0.061 0.000 0.755 1238 E CB 1.197 30.912 29.700 0.025 0.000 1.117 1238 E HN 0.400 nan 8.360 nan 0.000 0.410 1239 F N 4.352 124.266 119.950 -0.061 0.000 2.646 1239 F HA 0.397 4.923 4.527 -0.001 0.000 0.364 1239 F C -0.326 175.411 175.800 -0.106 0.000 1.137 1239 F CA -0.781 57.157 58.000 -0.103 0.000 1.085 1239 F CB 0.712 39.665 39.000 -0.078 0.000 1.331 1239 F HN 0.154 nan 8.300 nan 0.000 0.472 1240 R N 5.098 125.642 120.500 0.073 0.000 2.387 1240 R HA 0.637 4.977 4.340 -0.001 0.000 0.314 1240 R C -1.414 174.810 176.300 -0.128 0.000 0.958 1240 R CA -0.907 55.153 56.100 -0.067 0.000 0.846 1240 R CB 2.702 32.981 30.300 -0.035 0.000 1.147 1240 R HN 0.297 nan 8.270 nan 0.000 0.447 1241 V N 1.960 121.761 119.914 -0.188 0.000 2.540 1241 V HA 0.419 4.539 4.120 -0.001 0.000 0.302 1241 V C -0.397 175.633 176.094 -0.108 0.000 1.035 1241 V CA -0.645 61.554 62.300 -0.167 0.000 0.873 1241 V CB 2.107 33.784 31.823 -0.244 0.000 0.992 1241 V HN 0.768 nan 8.190 nan 0.000 0.428 1242 S N 4.879 120.537 115.700 -0.071 0.000 2.526 1242 S HA 0.723 5.192 4.470 -0.001 0.000 0.293 1242 S C -0.736 173.847 174.600 -0.029 0.000 1.092 1242 S CA -0.640 57.532 58.200 -0.047 0.000 0.980 1242 S CB 1.669 64.846 63.200 -0.039 0.000 1.048 1242 S HN 0.529 nan 8.310 nan 0.000 0.483 1243 L N 2.773 123.984 121.223 -0.021 0.000 2.275 1243 L HA 0.442 4.781 4.340 -0.001 0.000 0.288 1243 L C -0.285 176.586 176.870 0.002 0.000 1.046 1243 L CA -0.966 53.871 54.840 -0.004 0.000 0.805 1243 L CB 0.738 42.794 42.059 -0.004 0.000 1.193 1243 L HN 0.473 nan 8.230 nan 0.000 0.426 1244 L N 4.400 125.631 121.223 0.014 0.000 2.578 1244 L HA 0.026 4.365 4.340 -0.001 0.000 0.279 1244 L C 0.478 177.354 176.870 0.010 0.000 1.227 1244 L CA 0.847 55.696 54.840 0.015 0.000 0.900 1244 L CB 0.069 42.145 42.059 0.029 0.000 1.144 1244 L HN 0.512 nan 8.230 nan 0.000 0.496 1245 R N 3.666 124.169 120.500 0.005 0.000 2.532 1245 R HA 0.230 4.569 4.340 -0.001 0.000 0.272 1245 R C -0.218 176.085 176.300 0.004 0.000 1.032 1245 R CA -0.568 55.533 56.100 0.002 0.000 1.089 1245 R CB 0.490 30.789 30.300 -0.002 0.000 1.098 1245 R HN 0.736 nan 8.270 nan 0.000 0.526 1246 D N 0.684 121.085 120.400 0.002 0.000 2.735 1246 D HA -0.151 4.488 4.640 -0.001 0.000 0.235 1246 D C -0.461 175.843 176.300 0.006 0.000 1.175 1246 D CA 0.998 54.999 54.000 0.003 0.000 0.683 1246 D CB -0.985 39.816 40.800 0.003 0.000 1.008 1246 D HN 0.667 nan 8.370 nan 0.000 0.416 1247 C N -1.265 118.039 119.300 0.007 0.000 3.465 1247 C HA 0.370 4.829 4.460 -0.001 0.000 0.193 1247 C C -2.203 172.789 174.990 0.003 0.000 1.515 1247 C CA -1.853 57.172 59.018 0.012 0.000 1.340 1247 C CB 0.299 28.054 27.740 0.025 0.000 1.928 1247 C HN 0.082 nan 8.230 nan 0.000 0.510 1248 P HA 0.072 nan 4.420 nan 0.000 0.265 1248 P C -0.429 176.843 177.300 -0.046 0.000 1.193 1248 P CA 0.760 63.846 63.100 -0.023 0.000 0.765 1248 P CB 0.692 32.381 31.700 -0.018 0.000 0.823 1249 N N 2.791 121.437 118.700 -0.089 0.000 2.500 1249 N HA 0.040 4.779 4.740 -0.001 0.000 0.236 1249 N C 1.288 176.691 175.510 -0.178 0.000 1.022 1249 N CA -0.532 52.416 53.050 -0.171 0.000 0.935 1249 N CB 0.483 38.779 38.487 -0.319 0.000 1.147 1249 N HN 0.249 nan 8.380 nan 0.000 0.512 1250 K N 2.132 122.455 120.400 -0.128 0.000 2.286 1250 K HA -0.152 4.167 4.320 -0.001 0.000 0.203 1250 K C 0.838 177.363 176.600 -0.126 0.000 1.045 1250 K CA 1.289 57.515 56.287 -0.102 0.000 0.935 1250 K CB 0.132 32.595 32.500 -0.062 0.000 0.737 1250 K HN 0.328 nan 8.250 nan 0.000 0.460 1251 K N 0.173 120.445 120.400 -0.213 0.000 2.426 1251 K HA 0.178 4.497 4.320 -0.001 0.000 0.193 1251 K C 0.144 176.713 176.600 -0.052 0.000 1.028 1251 K CA 0.235 56.412 56.287 -0.183 0.000 1.047 1251 K CB 0.627 32.867 32.500 -0.432 0.000 0.821 1251 K HN 0.320 nan 8.250 nan 0.000 0.513 1252 A N 0.517 123.223 122.820 -0.190 0.000 2.485 1252 A HA 0.447 4.767 4.320 -0.001 0.000 0.292 1252 A C -1.056 176.408 177.584 -0.201 0.000 1.147 1252 A CA -0.884 51.069 52.037 -0.141 0.000 0.750 1252 A CB 0.633 19.556 19.000 -0.128 0.000 1.331 1252 A HN 0.131 nan 8.150 nan 0.000 0.419 1253 I N 0.711 121.129 120.570 -0.254 0.000 2.821 1253 I HA 0.071 4.241 4.170 -0.001 0.000 0.294 1253 I C 0.029 176.008 176.117 -0.229 0.000 1.210 1253 I CA 1.355 62.425 61.300 -0.383 0.000 1.430 1253 I CB -0.960 36.795 38.000 -0.409 0.000 1.356 1253 I HN 0.619 nan 8.210 nan 0.000 0.563 1254 Y N 5.590 125.779 120.300 -0.184 0.000 3.721 1254 Y HA -0.297 4.253 4.550 -0.001 0.000 0.218 1254 Y C 1.393 177.229 175.900 -0.106 0.000 1.188 1254 Y CA 0.469 58.491 58.100 -0.131 0.000 1.607 1254 Y CB -1.794 36.606 38.460 -0.100 0.000 1.496 1254 Y HN 1.017 nan 8.280 nan 0.000 0.626 1255 A N -1.141 121.670 122.820 -0.015 0.000 2.887 1255 A HA -0.258 4.062 4.320 -0.001 0.000 0.257 1255 A C 0.980 178.526 177.584 -0.063 0.000 1.372 1255 A CA 1.057 53.062 52.037 -0.053 0.000 0.879 1255 A CB -1.964 17.022 19.000 -0.024 0.000 1.082 1255 A HN 1.304 nan 8.150 nan 0.000 0.703 1256 S N -0.982 114.686 115.700 -0.054 0.000 2.655 1256 S HA 0.757 5.226 4.470 -0.001 0.000 0.265 1256 S C -0.087 174.462 174.600 -0.084 0.000 1.240 1256 S CA -0.051 58.126 58.200 -0.039 0.000 0.986 1256 S CB 1.391 64.592 63.200 0.002 0.000 0.985 1256 S HN 0.557 nan 8.310 nan 0.000 0.562 1257 K N -0.204 120.194 120.400 -0.005 0.000 2.426 1257 K HA 0.631 4.951 4.320 -0.001 0.000 0.251 1257 K C -0.675 176.022 176.600 0.162 0.000 0.941 1257 K CA -0.870 55.475 56.287 0.097 0.000 0.808 1257 K CB 2.145 34.730 32.500 0.142 0.000 1.265 1257 K HN 0.853 nan 8.250 nan 0.000 0.432 1258 A N 1.185 124.165 122.820 0.265 0.000 2.565 1258 A HA 0.059 4.379 4.320 -0.001 0.000 0.237 1258 A C 0.636 178.262 177.584 0.069 0.000 1.053 1258 A CA 0.151 52.258 52.037 0.118 0.000 0.755 1258 A CB 0.291 19.324 19.000 0.054 0.000 0.980 1258 A HN 0.542 nan 8.150 nan 0.000 0.506 1259 V N 2.867 122.798 119.914 0.028 0.000 3.485 1259 V HA 0.221 4.341 4.120 -0.001 0.000 0.280 1259 V C 1.751 177.833 176.094 -0.019 0.000 1.495 1259 V CA 1.419 63.725 62.300 0.011 0.000 1.018 1259 V CB -0.177 31.662 31.823 0.028 0.000 0.818 1259 V HN 1.109 nan 8.190 nan 0.000 0.436 1260 G N 0.416 109.200 108.800 -0.026 0.000 2.480 1260 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 1260 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 1260 G C 1.216 176.082 174.900 -0.057 0.000 1.200 1260 G CA 1.484 46.574 45.100 -0.016 0.000 0.782 1260 G HN 0.596 nan 8.290 nan 0.000 0.554 1261 E N 0.350 120.431 120.200 -0.199 0.000 2.251 1261 E HA 0.028 4.378 4.350 -0.001 0.000 0.194 1261 E C -0.274 175.942 176.600 -0.640 0.000 0.964 1261 E CA -0.048 56.125 56.400 -0.378 0.000 0.868 1261 E CB 0.057 29.440 29.700 -0.529 0.000 0.828 1261 E HN 0.308 nan 8.360 nan 0.000 0.481 1262 P HA -0.143 nan 4.420 nan 0.000 0.217 1262 P C -1.717 175.501 177.300 -0.137 0.000 1.151 1262 P CA 1.652 64.449 63.100 -0.505 0.000 0.849 1262 P CB -0.724 30.871 31.700 -0.176 0.000 0.787 1263 P HA -0.008 nan 4.420 nan 0.000 0.236 1263 P C 1.532 178.913 177.300 0.136 0.000 1.177 1263 P CA 0.468 63.624 63.100 0.092 0.000 0.773 1263 P CB -0.372 31.395 31.700 0.112 0.000 0.878 1264 L N -1.050 120.211 121.223 0.063 0.000 2.012 1264 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 1264 L C 2.221 179.178 176.870 0.145 0.000 1.073 1264 L CA 1.730 56.610 54.840 0.067 0.000 0.748 1264 L CB -0.782 41.282 42.059 0.007 0.000 0.891 1264 L HN -0.111 nan 8.230 nan 0.000 0.431 1265 F N 0.186 120.198 119.950 0.104 0.000 2.250 1265 F HA -0.213 4.313 4.527 -0.001 0.000 0.301 1265 F C 1.919 177.855 175.800 0.227 0.000 1.077 1265 F CA 1.412 59.548 58.000 0.227 0.000 1.348 1265 F CB -0.339 38.778 39.000 0.195 0.000 1.040 1265 F HN 0.025 nan 8.300 nan 0.000 0.509 1266 L N -0.071 121.172 121.223 0.035 0.000 2.261 1266 L HA -0.170 4.169 4.340 -0.001 0.000 0.216 1266 L C 2.707 179.607 176.870 0.050 0.000 1.114 1266 L CA 0.968 55.833 54.840 0.041 0.000 0.777 1266 L CB -1.598 40.617 42.059 0.260 0.000 0.910 1266 L HN 0.340 nan 8.230 nan 0.000 0.440 1267 G N -0.019 108.703 108.800 -0.131 0.000 2.479 1267 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 1267 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 1267 G C 1.743 176.514 174.900 -0.215 0.000 1.115 1267 G CA 0.779 45.588 45.100 -0.484 0.000 0.757 1267 G HN 0.495 nan 8.290 nan 0.000 0.560 1268 A N 1.301 123.871 122.820 -0.417 0.000 2.070 1268 A HA 0.004 4.324 4.320 -0.001 0.000 0.220 1268 A C 2.689 180.161 177.584 -0.186 0.000 1.159 1268 A CA 2.157 53.749 52.037 -0.742 0.000 0.656 1268 A CB -0.605 17.663 19.000 -1.219 0.000 0.800 1268 A HN 0.755 nan 8.150 nan 0.000 0.453 1269 S N -0.159 115.500 115.700 -0.067 0.000 2.400 1269 S HA -0.156 4.314 4.470 -0.001 0.000 0.232 1269 S C 1.694 176.359 174.600 0.109 0.000 1.025 1269 S CA 1.551 59.816 58.200 0.107 0.000 0.993 1269 S CB -0.965 62.312 63.200 0.129 0.000 0.808 1269 S HN 0.290 nan 8.310 nan 0.000 0.478 1270 V N 0.943 120.894 119.914 0.061 0.000 2.427 1270 V HA -0.072 4.047 4.120 -0.001 0.000 0.248 1270 V C 2.088 178.150 176.094 -0.053 0.000 1.051 1270 V CA 1.957 64.269 62.300 0.020 0.000 1.048 1270 V CB -1.094 30.735 31.823 0.009 0.000 0.666 1270 V HN 0.569 nan 8.190 nan 0.000 0.456 1271 F N 0.470 120.273 119.950 -0.245 0.000 2.102 1271 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 1271 F C 2.010 177.565 175.800 -0.409 0.000 1.105 1271 F CA 1.859 59.630 58.000 -0.382 0.000 1.239 1271 F CB -0.264 38.398 39.000 -0.563 0.000 0.991 1271 F HN 0.134 nan 8.300 nan 0.000 0.474 1272 F N -0.088 119.932 119.950 0.116 0.000 2.367 1272 F HA 0.052 4.578 4.527 -0.001 0.000 0.298 1272 F C 2.446 178.224 175.800 -0.036 0.000 1.094 1272 F CA 0.624 58.646 58.000 0.037 0.000 1.409 1272 F CB -0.959 38.071 39.000 0.050 0.000 1.064 1272 F HN 0.050 nan 8.300 nan 0.000 0.528 1273 A N 0.714 123.588 122.820 0.090 0.000 1.902 1273 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 1273 A C 2.177 179.729 177.584 -0.054 0.000 1.181 1273 A CA 1.580 53.632 52.037 0.026 0.000 0.623 1273 A CB -1.023 17.987 19.000 0.016 0.000 0.818 1273 A HN 0.374 nan 8.150 nan 0.000 0.443 1274 I N -0.642 119.827 120.570 -0.168 0.000 2.226 1274 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 1274 I C 2.556 178.564 176.117 -0.182 0.000 1.100 1274 I CA 1.845 63.000 61.300 -0.241 0.000 1.374 1274 I CB -0.216 37.523 38.000 -0.434 0.000 1.057 1274 I HN 0.351 nan 8.210 nan 0.000 0.413 1275 K N 0.757 121.018 120.400 -0.231 0.000 2.032 1275 K HA -0.287 4.033 4.320 -0.001 0.000 0.209 1275 K C 1.820 178.487 176.600 0.111 0.000 1.048 1275 K CA 2.291 58.539 56.287 -0.064 0.000 0.927 1275 K CB -0.176 32.275 32.500 -0.081 0.000 0.712 1275 K HN 0.208 nan 8.250 nan 0.000 0.441 1276 D N -0.242 120.207 120.400 0.081 0.000 2.104 1276 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 1276 D C 1.644 177.987 176.300 0.073 0.000 0.994 1276 D CA 1.646 55.702 54.000 0.093 0.000 0.830 1276 D CB -0.047 40.799 40.800 0.077 0.000 0.959 1276 D HN 0.330 nan 8.370 nan 0.000 0.452 1277 A N -0.085 122.755 122.820 0.035 0.000 1.933 1277 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 1277 A C 2.401 180.007 177.584 0.037 0.000 1.175 1277 A CA 1.132 53.187 52.037 0.029 0.000 0.628 1277 A CB -0.748 18.254 19.000 0.002 0.000 0.814 1277 A HN 0.392 nan 8.150 nan 0.000 0.444 1278 I N -1.066 119.528 120.570 0.039 0.000 2.226 1278 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 1278 I C 2.672 178.781 176.117 -0.014 0.000 1.100 1278 I CA 1.580 62.884 61.300 0.007 0.000 1.374 1278 I CB -0.290 37.721 38.000 0.018 0.000 1.057 1278 I HN 0.357 nan 8.210 nan 0.000 0.413 1279 R N 1.193 121.768 120.500 0.126 0.000 2.105 1279 R HA -0.194 4.146 4.340 -0.001 0.000 0.239 1279 R C 2.359 178.693 176.300 0.057 0.000 1.135 1279 R CA 1.595 57.786 56.100 0.152 0.000 0.967 1279 R CB -0.225 30.227 30.300 0.252 0.000 0.861 1279 R HN 0.369 nan 8.270 nan 0.000 0.442 1280 A N 0.651 123.499 122.820 0.046 0.000 1.877 1280 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 1280 A C 2.360 179.932 177.584 -0.021 0.000 1.186 1280 A CA 1.657 53.704 52.037 0.016 0.000 0.620 1280 A CB -0.830 18.189 19.000 0.033 0.000 0.822 1280 A HN 0.528 nan 8.150 nan 0.000 0.443 1281 A N -0.243 122.571 122.820 -0.010 0.000 1.933 1281 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 1281 A C 2.239 179.806 177.584 -0.029 0.000 1.175 1281 A CA 1.611 53.642 52.037 -0.010 0.000 0.628 1281 A CB -0.446 18.577 19.000 0.038 0.000 0.814 1281 A HN 0.561 nan 8.150 nan 0.000 0.444 1282 R N -0.573 119.889 120.500 -0.063 0.000 2.092 1282 R HA -0.016 4.323 4.340 -0.001 0.000 0.231 1282 R C 2.462 178.731 176.300 -0.051 0.000 1.119 1282 R CA 1.071 57.126 56.100 -0.076 0.000 0.970 1282 R CB -0.451 29.746 30.300 -0.172 0.000 0.864 1282 R HN 0.504 nan 8.270 nan 0.000 0.440 1283 A N 0.953 123.744 122.820 -0.048 0.000 1.940 1283 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 1283 A C 2.118 179.634 177.584 -0.112 0.000 1.176 1283 A CA 1.637 53.642 52.037 -0.053 0.000 0.631 1283 A CB -0.426 18.553 19.000 -0.035 0.000 0.814 1283 A HN 0.265 nan 8.150 nan 0.000 0.446 1284 Q N -1.279 118.410 119.800 -0.186 0.000 2.079 1284 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 1284 Q C 1.450 177.167 176.000 -0.471 0.000 0.974 1284 Q CA 1.937 57.507 55.803 -0.389 0.000 0.840 1284 Q CB -0.126 28.278 28.738 -0.557 0.000 0.898 1284 Q HN 0.754 nan 8.270 nan 0.000 0.430 1285 H N -1.536 117.467 119.070 -0.112 0.000 3.058 1285 H HA 0.279 4.834 4.556 -0.001 0.000 0.266 1285 H C 0.209 175.507 175.328 -0.051 0.000 1.135 1285 H CA 0.873 56.867 56.048 -0.090 0.000 1.174 1285 H CB 0.746 30.462 29.762 -0.077 0.000 1.581 1285 H HN 0.397 nan 8.280 nan 0.000 0.553 1286 T N -0.787 113.792 114.554 0.042 0.000 2.604 1286 T HA 0.149 4.499 4.350 -0.001 0.000 0.267 1286 T C -0.047 174.657 174.700 0.006 0.000 0.923 1286 T CA -1.028 61.086 62.100 0.023 0.000 1.077 1286 T CB 1.065 69.937 68.868 0.006 0.000 1.392 1286 T HN 0.280 nan 8.240 nan 0.000 0.531 1287 N N 1.764 120.470 118.700 0.010 0.000 2.357 1287 N HA -0.058 4.681 4.740 -0.001 0.000 0.257 1287 N C -0.484 175.035 175.510 0.015 0.000 1.250 1287 N CA -0.139 52.920 53.050 0.015 0.000 0.862 1287 N CB -0.018 38.483 38.487 0.025 0.000 1.066 1287 N HN 0.497 nan 8.380 nan 0.000 0.468 1288 N N 1.349 120.057 118.700 0.013 0.000 2.375 1288 N HA 0.017 4.757 4.740 -0.001 0.000 0.220 1288 N C -0.732 174.793 175.510 0.024 0.000 1.170 1288 N CA -0.082 52.974 53.050 0.010 0.000 0.833 1288 N CB -0.289 38.198 38.487 -0.000 0.000 1.069 1288 N HN 0.516 nan 8.380 nan 0.000 0.479 1289 N N 0.538 119.261 118.700 0.038 0.000 2.400 1289 N HA 0.014 4.754 4.740 -0.001 0.000 0.267 1289 N C 0.748 176.295 175.510 0.062 0.000 1.208 1289 N CA 0.246 53.327 53.050 0.051 0.000 0.951 1289 N CB 0.654 39.178 38.487 0.063 0.000 1.227 1289 N HN 0.072 nan 8.380 nan 0.000 0.488 1290 T N 0.869 115.455 114.554 0.053 0.000 3.077 1290 T HA -0.059 4.291 4.350 -0.001 0.000 0.269 1290 T C 0.961 175.706 174.700 0.075 0.000 1.146 1290 T CA 1.037 63.172 62.100 0.059 0.000 1.091 1290 T CB 0.136 69.031 68.868 0.046 0.000 0.892 1290 T HN 0.450 nan 8.240 nan 0.000 0.533 1291 K N 0.612 121.060 120.400 0.080 0.000 2.536 1291 K HA 0.180 4.499 4.320 -0.001 0.000 0.203 1291 K C 0.193 176.856 176.600 0.105 0.000 1.063 1291 K CA -0.225 56.116 56.287 0.090 0.000 1.063 1291 K CB 0.869 33.419 32.500 0.083 0.000 0.843 1291 K HN 0.306 nan 8.250 nan 0.000 0.521 1292 E N 2.056 122.327 120.200 0.119 0.000 2.413 1292 E HA 0.073 4.422 4.350 -0.001 0.000 0.263 1292 E C -0.842 175.872 176.600 0.190 0.000 1.015 1292 E CA 0.249 56.738 56.400 0.148 0.000 0.916 1292 E CB 0.595 30.389 29.700 0.156 0.000 0.947 1292 E HN 0.159 nan 8.360 nan 0.000 0.440 1293 L N 4.852 126.184 121.223 0.182 0.000 2.342 1293 L HA 0.566 4.905 4.340 -0.001 0.000 0.271 1293 L C -0.365 176.655 176.870 0.251 0.000 1.008 1293 L CA -1.078 53.855 54.840 0.155 0.000 0.818 1293 L CB 1.053 43.169 42.059 0.095 0.000 1.296 1293 L HN 0.491 nan 8.230 nan 0.000 0.427 1294 F N -0.681 119.335 119.950 0.111 0.000 2.599 1294 F HA 0.678 5.205 4.527 -0.001 0.000 0.311 1294 F C -0.548 175.337 175.800 0.141 0.000 1.076 1294 F CA -1.196 56.870 58.000 0.110 0.000 0.937 1294 F CB 1.507 40.561 39.000 0.090 0.000 1.282 1294 F HN 0.337 nan 8.300 nan 0.000 0.460 1295 R N 2.463 123.114 120.500 0.252 0.000 2.297 1295 R HA 0.680 5.020 4.340 -0.001 0.000 0.308 1295 R C -1.921 174.544 176.300 0.276 0.000 1.029 1295 R CA -0.713 55.505 56.100 0.196 0.000 0.929 1295 R CB 1.267 31.693 30.300 0.210 0.000 1.046 1295 R HN 0.880 nan 8.270 nan 0.000 0.461 1296 L N 5.031 126.400 121.223 0.244 0.000 2.427 1296 L HA 0.361 4.701 4.340 -0.001 0.000 0.264 1296 L C -1.256 175.897 176.870 0.471 0.000 0.989 1296 L CA -0.468 54.577 54.840 0.341 0.000 0.865 1296 L CB 1.367 43.592 42.059 0.278 0.000 1.209 1296 L HN 0.691 nan 8.230 nan 0.000 0.430 1297 D N 1.302 121.952 120.400 0.416 0.000 2.371 1297 D HA 0.212 4.851 4.640 -0.001 0.000 0.242 1297 D C -0.177 176.389 176.300 0.442 0.000 1.218 1297 D CA 0.103 54.361 54.000 0.428 0.000 0.945 1297 D CB 1.393 42.433 40.800 0.401 0.000 1.137 1297 D HN 0.442 nan 8.370 nan 0.000 0.464 1298 S N 0.152 115.976 115.700 0.207 0.000 2.509 1298 S HA 0.530 5.000 4.470 -0.001 0.000 0.297 1298 S C -2.713 171.906 174.600 0.032 0.000 1.118 1298 S CA -1.470 56.737 58.200 0.012 0.000 1.074 1298 S CB 1.396 64.213 63.200 -0.637 0.000 1.038 1298 S HN 0.133 nan 8.310 nan 0.000 0.498 1299 P HA 0.264 nan 4.420 nan 0.000 0.284 1299 P C -1.051 176.374 177.300 0.208 0.000 1.253 1299 P CA -0.508 62.652 63.100 0.101 0.000 0.800 1299 P CB 0.893 32.600 31.700 0.012 0.000 0.961 1300 A N 2.924 125.918 122.820 0.290 0.000 2.981 1300 A HA 0.303 4.622 4.320 -0.001 0.000 0.280 1300 A C 1.033 178.639 177.584 0.036 0.000 1.797 1300 A CA -0.080 52.029 52.037 0.120 0.000 1.456 1300 A CB -1.516 17.405 19.000 -0.133 0.000 1.057 1300 A HN 0.614 nan 8.150 nan 0.000 0.602 1301 T N -0.450 114.138 114.554 0.057 0.000 2.766 1301 T HA 0.318 4.667 4.350 -0.001 0.000 0.295 1301 T C -1.619 173.100 174.700 0.032 0.000 1.024 1301 T CA -1.260 60.861 62.100 0.035 0.000 1.018 1301 T CB 0.436 69.322 68.868 0.030 0.000 1.002 1301 T HN 0.187 nan 8.240 nan 0.000 0.532 1302 P HA -0.140 nan 4.420 nan 0.000 0.216 1302 P C 1.543 178.855 177.300 0.020 0.000 1.150 1302 P CA 1.217 64.335 63.100 0.030 0.000 0.843 1302 P CB 0.044 31.753 31.700 0.015 0.000 0.787 1303 E N 0.295 120.504 120.200 0.016 0.000 2.038 1303 E HA -0.252 4.097 4.350 -0.001 0.000 0.195 1303 E C 1.758 178.380 176.600 0.037 0.000 1.000 1303 E CA 1.518 57.929 56.400 0.019 0.000 0.803 1303 E CB -0.180 29.528 29.700 0.014 0.000 0.750 1303 E HN 0.177 nan 8.360 nan 0.000 0.448 1304 K N 0.031 120.463 120.400 0.052 0.000 2.097 1304 K HA -0.086 4.234 4.320 -0.001 0.000 0.205 1304 K C 2.317 178.950 176.600 0.055 0.000 1.050 1304 K CA 1.173 57.505 56.287 0.074 0.000 0.938 1304 K CB -0.110 32.455 32.500 0.110 0.000 0.718 1304 K HN 0.254 nan 8.250 nan 0.000 0.442 1305 I N 0.743 121.329 120.570 0.027 0.000 2.142 1305 I HA -0.285 3.885 4.170 -0.001 0.000 0.240 1305 I C 2.636 178.763 176.117 0.017 0.000 1.078 1305 I CA 1.073 62.376 61.300 0.005 0.000 1.343 1305 I CB -0.226 37.765 38.000 -0.015 0.000 1.046 1305 I HN 0.064 nan 8.210 nan 0.000 0.405 1306 R N 1.758 122.273 120.500 0.025 0.000 2.080 1306 R HA -0.175 4.165 4.340 -0.001 0.000 0.236 1306 R C 1.997 178.316 176.300 0.032 0.000 1.137 1306 R CA 1.943 58.060 56.100 0.030 0.000 0.943 1306 R CB -0.724 29.588 30.300 0.020 0.000 0.846 1306 R HN 0.286 nan 8.270 nan 0.000 0.431 1307 N N 0.323 119.043 118.700 0.033 0.000 2.137 1307 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 1307 N C 1.372 176.895 175.510 0.021 0.000 1.017 1307 N CA 1.768 54.840 53.050 0.036 0.000 0.859 1307 N CB -0.483 38.032 38.487 0.047 0.000 1.002 1307 N HN 0.430 nan 8.380 nan 0.000 0.428 1308 A N -0.375 122.449 122.820 0.006 0.000 2.119 1308 A HA 0.017 4.337 4.320 -0.001 0.000 0.216 1308 A C 1.129 178.632 177.584 -0.135 0.000 1.152 1308 A CA 0.237 52.231 52.037 -0.071 0.000 0.708 1308 A CB -0.212 18.755 19.000 -0.055 0.000 0.805 1308 A HN 0.350 nan 8.150 nan 0.000 0.460 1309 C N 1.800 121.073 119.300 -0.045 0.000 2.861 1309 C HA 0.382 4.842 4.460 -0.001 0.000 0.542 1309 C C 0.689 175.702 174.990 0.038 0.000 1.074 1309 C CA -1.028 57.988 59.018 -0.003 0.000 1.232 1309 C CB -2.224 25.552 27.740 0.060 0.000 1.433 1309 C HN 0.313 nan 8.230 nan 0.000 0.606 1310 V N 4.330 124.242 119.914 -0.002 0.000 2.557 1310 V HA 0.167 4.286 4.120 -0.001 0.000 0.301 1310 V C 0.347 176.476 176.094 0.059 0.000 1.026 1310 V CA 1.071 63.385 62.300 0.023 0.000 1.137 1310 V CB 0.185 32.004 31.823 -0.006 0.000 0.917 1310 V HN 0.867 nan 8.190 nan 0.000 0.484 1311 D N 3.272 123.708 120.400 0.060 0.000 3.057 1311 D HA 0.223 4.863 4.640 -0.001 0.000 0.328 1311 D C 0.631 176.906 176.300 -0.040 0.000 1.317 1311 D CA -0.476 53.538 54.000 0.023 0.000 0.973 1311 D CB 0.596 41.417 40.800 0.035 0.000 1.424 1311 D HN 0.332 nan 8.370 nan 0.000 0.569 1312 K N -0.507 119.785 120.400 -0.180 0.000 2.365 1312 K HA 0.051 4.371 4.320 -0.001 0.000 0.199 1312 K C 0.945 177.265 176.600 -0.466 0.000 1.045 1312 K CA 0.916 56.992 56.287 -0.352 0.000 0.962 1312 K CB -0.407 31.803 32.500 -0.484 0.000 0.759 1312 K HN 0.282 nan 8.250 nan 0.000 0.469 1313 F N 2.277 122.215 119.950 -0.021 0.000 2.317 1313 F HA -0.025 4.501 4.527 -0.001 0.000 0.290 1313 F C 2.830 178.617 175.800 -0.022 0.000 1.075 1313 F CA 1.086 59.064 58.000 -0.037 0.000 1.380 1313 F CB -0.653 38.304 39.000 -0.071 0.000 1.093 1313 F HN 0.099 nan 8.300 nan 0.000 0.524 1314 T N -1.804 112.846 114.554 0.159 0.000 2.788 1314 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 1314 T C 1.228 175.958 174.700 0.049 0.000 1.044 1314 T CA 1.304 63.458 62.100 0.090 0.000 1.139 1314 T CB -1.423 67.487 68.868 0.071 0.000 0.867 1314 T HN 0.273 nan 8.240 nan 0.000 0.454 1315 T N 0.000 114.567 114.554 0.021 0.000 3.816 1315 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 1315 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1315 T CB 0.000 68.858 68.868 -0.016 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658