REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3etr_1_C 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 DKFTTLCVTG DATA SEQUENCE APGNC 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 0.000 176.267 176.300 -0.055 0.000 2.045 571 D CA 0.000 53.965 54.000 -0.058 0.000 0.868 571 D CB 0.000 40.758 40.800 -0.070 0.000 0.688 572 T N -0.535 113.987 114.554 -0.053 0.000 3.010 572 T HA 0.246 4.583 4.350 -0.022 0.000 0.257 572 T C 0.780 175.453 174.700 -0.045 0.000 1.020 572 T CA 0.008 62.084 62.100 -0.040 0.000 0.938 572 T CB 0.033 68.886 68.868 -0.024 0.000 1.049 572 T HN 0.164 nan 8.240 nan 0.000 0.522 573 V N 2.399 122.269 119.914 -0.072 0.000 2.694 573 V HA 0.395 4.502 4.120 -0.022 0.000 0.306 573 V C 1.779 177.831 176.094 -0.069 0.000 1.054 573 V CA 1.523 63.777 62.300 -0.076 0.000 1.161 573 V CB -0.070 31.655 31.823 -0.163 0.000 0.916 573 V HN 0.913 nan 8.190 nan 0.000 0.490 574 G N 4.277 113.055 108.800 -0.037 0.000 2.162 574 G HA2 -0.270 3.677 3.960 -0.022 0.000 0.260 574 G HA3 -0.270 3.677 3.960 -0.022 0.000 0.260 574 G C 0.212 175.099 174.900 -0.021 0.000 0.976 574 G CA 0.429 45.513 45.100 -0.027 0.000 0.655 574 G HN 0.660 nan 8.290 nan 0.000 0.533 575 R N 0.606 121.094 120.500 -0.019 0.000 2.532 575 R HA 0.512 4.839 4.340 -0.022 0.000 0.295 575 R C -2.094 174.203 176.300 -0.005 0.000 0.968 575 R CA -1.947 54.145 56.100 -0.013 0.000 0.916 575 R CB 1.709 32.000 30.300 -0.016 0.000 1.124 575 R HN -0.011 nan 8.270 nan 0.000 0.463 576 P HA -0.017 nan 4.420 nan 0.000 0.232 576 P C -0.733 176.573 177.300 0.011 0.000 1.738 576 P CA -0.109 62.993 63.100 0.004 0.000 0.948 576 P CB -0.080 31.621 31.700 0.002 0.000 1.943 577 L N 2.869 124.099 121.223 0.011 0.000 2.418 577 L HA 0.333 4.660 4.340 -0.022 0.000 0.274 577 L C -2.275 174.614 176.870 0.032 0.000 1.135 577 L CA -1.970 52.880 54.840 0.017 0.000 0.870 577 L CB -0.269 41.795 42.059 0.010 0.000 1.154 577 L HN -0.021 nan 8.230 nan 0.000 0.462 578 P HA -0.009 nan 4.420 nan 0.000 0.269 578 P C -0.735 176.634 177.300 0.114 0.000 1.215 578 P CA -0.114 63.034 63.100 0.079 0.000 0.780 578 P CB 0.225 31.969 31.700 0.074 0.000 0.898 579 H N 2.320 121.409 119.070 0.033 0.000 3.140 579 H HA -0.049 4.495 4.556 -0.020 0.000 0.316 579 H C 1.249 176.602 175.328 0.042 0.000 0.986 579 H CA 0.684 56.754 56.048 0.037 0.000 1.397 579 H CB 0.370 30.155 29.762 0.038 0.000 1.377 579 H HN 0.375 nan 8.280 nan 0.000 0.585 580 L N 4.108 125.407 121.223 0.127 0.000 2.129 580 L HA -0.225 4.102 4.340 -0.022 0.000 0.212 580 L C 2.270 179.270 176.870 0.216 0.000 1.087 580 L CA 1.603 56.526 54.840 0.139 0.000 0.757 580 L CB -0.305 41.793 42.059 0.066 0.000 0.896 580 L HN 0.651 nan 8.230 nan 0.000 0.434 581 A N -1.115 121.942 122.820 0.395 0.000 2.308 581 A HA 0.347 4.653 4.320 -0.022 0.000 0.217 581 A C 2.345 179.986 177.584 0.096 0.000 1.216 581 A CA 0.665 52.828 52.037 0.211 0.000 0.864 581 A CB -0.171 18.945 19.000 0.193 0.000 0.902 581 A HN 0.290 nan 8.150 nan 0.000 0.499 582 A N 0.533 123.417 122.820 0.106 0.000 1.903 582 A HA -0.029 4.278 4.320 -0.022 0.000 0.219 582 A C 2.406 180.011 177.584 0.035 0.000 1.191 582 A CA 2.322 54.372 52.037 0.023 0.000 0.638 582 A CB -0.875 18.167 19.000 0.071 0.000 0.823 582 A HN 1.106 nan 8.150 nan 0.000 0.451 583 A N -1.424 121.429 122.820 0.054 0.000 1.970 583 A HA 0.077 4.384 4.320 -0.022 0.000 0.216 583 A C 2.222 179.831 177.584 0.042 0.000 1.170 583 A CA 1.501 53.566 52.037 0.045 0.000 0.645 583 A CB -0.406 18.622 19.000 0.046 0.000 0.816 583 A HN 0.528 nan 8.150 nan 0.000 0.447 584 M N -0.833 118.794 119.600 0.045 0.000 2.200 584 M HA -0.161 4.306 4.480 -0.022 0.000 0.265 584 M C 2.357 178.685 176.300 0.046 0.000 1.066 584 M CA 1.215 56.539 55.300 0.040 0.000 1.127 584 M CB -0.301 32.321 32.600 0.037 0.000 1.379 584 M HN 0.495 nan 8.290 nan 0.000 0.420 585 Q N 0.148 119.976 119.800 0.046 0.000 2.050 585 Q HA -0.150 4.177 4.340 -0.022 0.000 0.202 585 Q C 2.228 178.271 176.000 0.072 0.000 0.980 585 Q CA 1.752 57.601 55.803 0.076 0.000 0.840 585 Q CB -0.368 28.397 28.738 0.045 0.000 0.898 585 Q HN 0.575 nan 8.270 nan 0.000 0.424 586 A N 1.202 124.053 122.820 0.051 0.000 1.972 586 A HA -0.165 4.141 4.320 -0.022 0.000 0.219 586 A C 2.190 179.801 177.584 0.044 0.000 1.169 586 A CA 1.713 53.779 52.037 0.047 0.000 0.635 586 A CB -0.474 18.550 19.000 0.040 0.000 0.810 586 A HN 0.437 nan 8.150 nan 0.000 0.446 587 S N -1.997 113.729 115.700 0.043 0.000 2.593 587 S HA 0.365 4.821 4.470 -0.022 0.000 0.217 587 S C 1.426 176.051 174.600 0.042 0.000 0.966 587 S CA 1.042 59.264 58.200 0.037 0.000 0.914 587 S CB -0.324 62.895 63.200 0.031 0.000 0.776 587 S HN 1.907 nan 8.310 nan 0.000 0.523 588 G N 1.216 110.051 108.800 0.058 0.000 2.155 588 G HA2 -0.292 3.655 3.960 -0.022 0.000 0.257 588 G HA3 -0.292 3.655 3.960 -0.022 0.000 0.257 588 G C 0.457 175.396 174.900 0.065 0.000 0.983 588 G CA 0.536 45.678 45.100 0.071 0.000 0.676 588 G HN 0.608 nan 8.290 nan 0.000 0.528 589 E N -0.033 120.197 120.200 0.049 0.000 2.385 589 E HA 0.411 4.748 4.350 -0.022 0.000 0.194 589 E C 1.723 178.333 176.600 0.018 0.000 1.013 589 E CA 0.321 56.739 56.400 0.030 0.000 0.866 589 E CB 0.227 29.940 29.700 0.022 0.000 0.832 589 E HN 0.762 nan 8.360 nan 0.000 0.500 590 A N 1.668 124.500 122.820 0.020 0.000 2.492 590 A HA 0.194 4.501 4.320 -0.022 0.000 0.254 590 A C 0.097 177.609 177.584 -0.120 0.000 1.091 590 A CA -0.095 51.901 52.037 -0.067 0.000 0.768 590 A CB 0.308 19.253 19.000 -0.092 0.000 1.028 590 A HN -0.000 nan 8.150 nan 0.000 0.498 591 V N 4.187 123.983 119.914 -0.197 0.000 2.407 591 V HA 0.350 4.456 4.120 -0.022 0.000 0.278 591 V C -0.528 175.384 176.094 -0.303 0.000 1.037 591 V CA -0.116 62.103 62.300 -0.134 0.000 0.900 591 V CB 0.352 32.126 31.823 -0.083 0.000 0.983 591 V HN 0.776 nan 8.190 nan 0.000 0.459 592 Y N 1.667 121.961 120.300 -0.011 0.000 2.568 592 Y HA 0.329 4.866 4.550 -0.022 0.000 0.327 592 Y C 1.519 177.409 175.900 -0.017 0.000 1.163 592 Y CA -0.363 57.730 58.100 -0.012 0.000 1.219 592 Y CB 0.848 39.299 38.460 -0.014 0.000 1.308 592 Y HN 0.657 nan 8.280 nan 0.000 0.503 593 C N 0.574 119.965 119.300 0.152 0.000 2.385 593 C HA -0.264 4.183 4.460 -0.022 0.000 0.275 593 C C 2.348 177.371 174.990 0.056 0.000 1.207 593 C CA 2.518 61.586 59.018 0.083 0.000 1.760 593 C CB -0.885 26.909 27.740 0.090 0.000 2.051 593 C HN 1.064 nan 8.230 nan 0.000 0.467 594 D N -0.503 119.945 120.400 0.080 0.000 2.347 594 D HA -0.029 4.598 4.640 -0.022 0.000 0.213 594 D C 1.453 177.784 176.300 0.053 0.000 0.985 594 D CA 0.710 54.751 54.000 0.067 0.000 0.879 594 D CB -0.297 40.547 40.800 0.074 0.000 0.919 594 D HN 0.527 nan 8.370 nan 0.000 0.526 595 D N -0.192 120.245 120.400 0.063 0.000 2.363 595 D HA -0.008 4.619 4.640 -0.022 0.000 0.220 595 D C 0.480 176.770 176.300 -0.017 0.000 0.994 595 D CA 0.192 54.218 54.000 0.044 0.000 0.890 595 D CB 0.168 41.025 40.800 0.093 0.000 0.906 595 D HN 0.366 nan 8.370 nan 0.000 0.530 596 I N 3.637 124.169 120.570 -0.062 0.000 2.587 596 I HA 0.018 4.175 4.170 -0.022 0.000 0.284 596 I C -1.780 174.247 176.117 -0.149 0.000 1.134 596 I CA -1.496 59.709 61.300 -0.159 0.000 1.410 596 I CB 0.445 38.270 38.000 -0.291 0.000 1.392 596 I HN -0.235 nan 8.210 nan 0.000 0.545 597 P HA 0.022 nan 4.420 nan 0.000 0.266 597 P C -0.797 176.380 177.300 -0.206 0.000 1.193 597 P CA -0.089 62.921 63.100 -0.150 0.000 0.770 597 P CB 0.426 32.029 31.700 -0.163 0.000 0.836 598 R N 1.504 121.933 120.500 -0.117 0.000 2.490 598 R HA 0.289 4.616 4.340 -0.022 0.000 0.278 598 R C 0.029 176.248 176.300 -0.135 0.000 1.069 598 R CA -0.283 55.757 56.100 -0.099 0.000 1.080 598 R CB -0.187 30.130 30.300 0.028 0.000 1.030 598 R HN 0.426 nan 8.270 nan 0.000 0.491 599 Y N 1.657 121.939 120.300 -0.030 0.000 2.480 599 Y HA -0.145 4.392 4.550 -0.021 0.000 0.338 599 Y C 1.877 177.783 175.900 0.011 0.000 1.220 599 Y CA 0.394 58.489 58.100 -0.009 0.000 1.430 599 Y CB 0.726 39.182 38.460 -0.007 0.000 1.311 599 Y HN 0.740 nan 8.280 nan 0.000 0.575 600 E N 0.655 120.986 120.200 0.217 0.000 2.147 600 E HA -0.322 4.014 4.350 -0.022 0.000 0.199 600 E C 0.745 177.427 176.600 0.137 0.000 1.005 600 E CA 1.814 58.298 56.400 0.139 0.000 0.810 600 E CB -0.326 29.442 29.700 0.114 0.000 0.736 600 E HN 0.743 nan 8.360 nan 0.000 0.460 601 N N 1.087 119.885 118.700 0.163 0.000 2.268 601 N HA -0.014 4.713 4.740 -0.022 0.000 0.204 601 N C -0.292 175.302 175.510 0.140 0.000 1.124 601 N CA 0.014 53.174 53.050 0.184 0.000 0.838 601 N CB 0.130 38.796 38.487 0.298 0.000 0.994 601 N HN 0.310 nan 8.380 nan 0.000 0.489 602 E N 0.849 121.101 120.200 0.087 0.000 2.344 602 E HA 0.217 4.554 4.350 -0.022 0.000 0.270 602 E C -0.475 175.980 176.600 -0.243 0.000 1.021 602 E CA -0.272 56.098 56.400 -0.049 0.000 0.887 602 E CB 0.590 30.248 29.700 -0.070 0.000 0.997 602 E HN 0.227 nan 8.360 nan 0.000 0.429 603 L N 3.384 124.424 121.223 -0.304 0.000 2.347 603 L HA 0.581 4.908 4.340 -0.022 0.000 0.268 603 L C -0.652 175.853 176.870 -0.607 0.000 1.019 603 L CA -1.063 53.598 54.840 -0.298 0.000 0.806 603 L CB 0.812 42.789 42.059 -0.136 0.000 1.339 603 L HN 0.529 nan 8.230 nan 0.000 0.463 604 F N 0.627 120.591 119.950 0.023 0.000 2.556 604 F HA 0.557 5.071 4.527 -0.022 0.000 0.314 604 F C -0.438 175.385 175.800 0.038 0.000 1.106 604 F CA -0.449 57.574 58.000 0.038 0.000 0.911 604 F CB 1.925 40.949 39.000 0.039 0.000 1.190 604 F HN 0.132 nan 8.300 nan 0.000 0.448 605 L N 3.350 124.694 121.223 0.200 0.000 2.334 605 L HA 0.788 5.115 4.340 -0.022 0.000 0.276 605 L C -0.897 176.072 176.870 0.164 0.000 1.014 605 L CA -0.700 54.227 54.840 0.145 0.000 0.815 605 L CB 1.482 43.606 42.059 0.109 0.000 1.268 605 L HN 0.722 nan 8.230 nan 0.000 0.428 606 R N 4.115 124.705 120.500 0.150 0.000 2.513 606 R HA 0.583 4.910 4.340 -0.022 0.000 0.301 606 R C -1.562 174.827 176.300 0.148 0.000 0.968 606 R CA -0.447 55.743 56.100 0.150 0.000 0.872 606 R CB 1.232 31.626 30.300 0.157 0.000 1.177 606 R HN 0.689 nan 8.270 nan 0.000 0.444 607 L N 3.745 125.056 121.223 0.148 0.000 2.439 607 L HA 0.360 4.687 4.340 -0.022 0.000 0.269 607 L C -0.254 176.715 176.870 0.165 0.000 1.179 607 L CA -0.735 54.200 54.840 0.158 0.000 0.828 607 L CB 1.143 43.297 42.059 0.160 0.000 1.106 607 L HN 0.314 nan 8.230 nan 0.000 0.467 608 V N 1.897 121.916 119.914 0.174 0.000 2.435 608 V HA 0.476 4.583 4.120 -0.022 0.000 0.290 608 V C 0.145 176.344 176.094 0.175 0.000 1.030 608 V CA -0.253 62.163 62.300 0.194 0.000 0.881 608 V CB 1.631 33.629 31.823 0.292 0.000 0.983 608 V HN 0.804 nan 8.190 nan 0.000 0.445 609 T N 2.615 117.271 114.554 0.171 0.000 2.912 609 T HA 0.294 4.631 4.350 -0.022 0.000 0.299 609 T C -0.245 174.576 174.700 0.201 0.000 1.052 609 T CA -0.300 61.906 62.100 0.175 0.000 0.996 609 T CB 1.783 70.747 68.868 0.160 0.000 1.070 609 T HN 0.740 nan 8.240 nan 0.000 0.465 610 S N 1.328 117.165 115.700 0.229 0.000 2.546 610 S HA 0.069 4.526 4.470 -0.022 0.000 0.290 610 S C 1.491 176.202 174.600 0.185 0.000 1.290 610 S CA 0.311 58.682 58.200 0.286 0.000 1.069 610 S CB 0.176 63.556 63.200 0.300 0.000 0.846 610 S HN 0.854 nan 8.310 nan 0.000 0.495 611 T N 3.127 117.763 114.554 0.137 0.000 3.107 611 T HA 0.312 4.648 4.350 -0.022 0.000 0.249 611 T C 0.369 174.972 174.700 -0.162 0.000 1.096 611 T CA -0.258 61.836 62.100 -0.011 0.000 1.012 611 T CB -0.052 68.823 68.868 0.012 0.000 0.977 611 T HN 0.440 nan 8.240 nan 0.000 0.527 612 R N 0.140 120.510 120.500 -0.216 0.000 2.621 612 R HA 0.729 5.056 4.340 -0.022 0.000 0.292 612 R C 0.938 177.221 176.300 -0.028 0.000 0.969 612 R CA -0.245 55.719 56.100 -0.226 0.000 0.887 612 R CB 1.433 31.436 30.300 -0.494 0.000 1.180 612 R HN 0.127 nan 8.270 nan 0.000 0.450 613 A N 1.288 124.107 122.820 -0.002 0.000 1.933 613 A HA -0.145 4.162 4.320 -0.022 0.000 0.218 613 A C 0.303 177.958 177.584 0.117 0.000 1.175 613 A CA 1.630 53.694 52.037 0.045 0.000 0.628 613 A CB -0.192 18.822 19.000 0.023 0.000 0.814 613 A HN 0.629 nan 8.150 nan 0.000 0.444 614 H N -2.158 116.917 119.070 0.008 0.000 3.235 614 H HA 0.613 5.156 4.556 -0.022 0.000 0.324 614 H C -1.022 174.333 175.328 0.046 0.000 1.059 614 H CA -0.478 55.592 56.048 0.036 0.000 1.497 614 H CB 0.648 30.419 29.762 0.014 0.000 1.986 614 H HN 0.464 nan 8.280 nan 0.000 0.444 615 A N 3.733 126.674 122.820 0.201 0.000 2.612 615 A HA 0.576 4.883 4.320 -0.022 0.000 0.293 615 A C -1.312 176.370 177.584 0.165 0.000 1.075 615 A CA -0.909 51.205 52.037 0.128 0.000 0.680 615 A CB 1.660 20.789 19.000 0.216 0.000 1.279 615 A HN 0.508 nan 8.150 nan 0.000 0.411 616 K N 1.205 121.670 120.400 0.109 0.000 2.172 616 K HA 0.649 4.956 4.320 -0.022 0.000 0.276 616 K C -1.080 175.583 176.600 0.104 0.000 1.013 616 K CA -0.078 56.264 56.287 0.091 0.000 0.913 616 K CB 0.385 32.907 32.500 0.037 0.000 1.055 616 K HN 0.507 nan 8.250 nan 0.000 0.461 617 I N 5.246 125.847 120.570 0.052 0.000 2.352 617 I HA 0.129 4.286 4.170 -0.022 0.000 0.290 617 I C 1.194 177.280 176.117 -0.052 0.000 1.036 617 I CA -0.224 61.045 61.300 -0.052 0.000 1.336 617 I CB 1.216 39.174 38.000 -0.070 0.000 1.407 617 I HN 0.852 nan 8.210 nan 0.000 0.497 618 K N 5.032 125.383 120.400 -0.081 0.000 2.141 618 K HA 0.104 4.411 4.320 -0.022 0.000 0.202 618 K C 0.466 177.024 176.600 -0.070 0.000 1.045 618 K CA 0.665 56.921 56.287 -0.052 0.000 0.971 618 K CB 0.390 32.872 32.500 -0.030 0.000 0.795 618 K HN 0.735 nan 8.250 nan 0.000 0.459 619 S N -0.650 114.982 115.700 -0.113 0.000 2.625 619 S HA 0.548 5.005 4.470 -0.022 0.000 0.271 619 S C -0.850 173.653 174.600 -0.161 0.000 1.161 619 S CA -1.116 57.019 58.200 -0.110 0.000 0.820 619 S CB 1.288 64.437 63.200 -0.086 0.000 1.137 619 S HN 0.140 nan 8.310 nan 0.000 0.470 620 I N 1.376 121.857 120.570 -0.149 0.000 2.499 620 I HA 0.500 4.657 4.170 -0.022 0.000 0.288 620 I C -1.624 174.362 176.117 -0.219 0.000 1.048 620 I CA -0.340 60.833 61.300 -0.211 0.000 1.062 620 I CB 2.037 39.913 38.000 -0.207 0.000 1.238 620 I HN 0.745 nan 8.210 nan 0.000 0.426 621 D N 5.378 125.632 120.400 -0.243 0.000 2.502 621 D HA 0.381 5.008 4.640 -0.022 0.000 0.249 621 D C 0.140 176.271 176.300 -0.282 0.000 1.092 621 D CA -0.579 53.292 54.000 -0.214 0.000 0.839 621 D CB 2.255 42.962 40.800 -0.155 0.000 1.264 621 D HN 0.323 nan 8.370 nan 0.000 0.511 622 V N 1.320 121.061 119.914 -0.288 0.000 3.427 622 V HA 0.199 4.306 4.120 -0.022 0.000 0.305 622 V C 1.497 177.423 176.094 -0.280 0.000 1.412 622 V CA 0.288 62.394 62.300 -0.324 0.000 1.086 622 V CB -0.140 31.477 31.823 -0.344 0.000 0.964 622 V HN 0.411 nan 8.190 nan 0.000 0.439 623 S N 1.589 117.164 115.700 -0.209 0.000 2.393 623 S HA -0.259 4.198 4.470 -0.022 0.000 0.234 623 S C 1.883 176.360 174.600 -0.206 0.000 1.064 623 S CA 2.510 60.602 58.200 -0.180 0.000 1.088 623 S CB -0.286 62.836 63.200 -0.131 0.000 0.939 623 S HN 0.744 nan 8.310 nan 0.000 0.448 624 E N 0.730 120.811 120.200 -0.198 0.000 2.158 624 E HA 0.158 4.495 4.350 -0.022 0.000 0.191 624 E C 2.317 178.783 176.600 -0.225 0.000 0.982 624 E CA 0.856 57.151 56.400 -0.174 0.000 0.823 624 E CB -0.514 29.107 29.700 -0.132 0.000 0.766 624 E HN 0.482 nan 8.360 nan 0.000 0.468 625 A N 1.253 123.894 122.820 -0.299 0.000 1.898 625 A HA -0.196 4.111 4.320 -0.022 0.000 0.216 625 A C 2.052 179.156 177.584 -0.800 0.000 1.181 625 A CA 1.203 53.011 52.037 -0.382 0.000 0.620 625 A CB -0.522 18.291 19.000 -0.312 0.000 0.819 625 A HN 0.199 nan 8.150 nan 0.000 0.442 626 Q N -0.408 118.813 119.800 -0.965 0.000 2.325 626 Q HA -0.207 4.119 4.340 -0.022 0.000 0.211 626 Q C 1.399 177.144 176.000 -0.426 0.000 0.988 626 Q CA 1.665 56.907 55.803 -0.936 0.000 0.887 626 Q CB -0.190 28.263 28.738 -0.475 0.000 0.915 626 Q HN 0.656 nan 8.270 nan 0.000 0.440 627 K N -0.223 119.999 120.400 -0.296 0.000 2.367 627 K HA 0.124 4.431 4.320 -0.022 0.000 0.194 627 K C -0.032 176.498 176.600 -0.116 0.000 1.027 627 K CA -0.124 56.070 56.287 -0.155 0.000 1.075 627 K CB 0.872 33.300 32.500 -0.120 0.000 0.845 627 K HN -0.079 nan 8.250 nan 0.000 0.529 628 V N 4.877 124.714 119.914 -0.129 0.000 2.529 628 V HA 0.031 4.138 4.120 -0.022 0.000 0.292 628 V C -2.076 173.949 176.094 -0.115 0.000 1.028 628 V CA -1.601 60.646 62.300 -0.088 0.000 1.074 628 V CB 0.098 31.908 31.823 -0.022 0.000 0.958 628 V HN 0.138 nan 8.190 nan 0.000 0.481 629 P HA 0.068 nan 4.420 nan 0.000 0.261 629 P C 0.947 177.995 177.300 -0.420 0.000 1.173 629 P CA 1.332 64.254 63.100 -0.297 0.000 0.760 629 P CB 0.410 31.902 31.700 -0.347 0.000 0.783 630 G N 2.293 111.023 108.800 -0.116 0.000 2.176 630 G HA2 -0.293 3.654 3.960 -0.022 0.000 0.253 630 G HA3 -0.293 3.654 3.960 -0.022 0.000 0.253 630 G C -0.021 174.936 174.900 0.096 0.000 0.979 630 G CA -0.177 44.937 45.100 0.024 0.000 0.641 630 G HN 0.581 nan 8.290 nan 0.000 0.530 631 F N 1.184 121.111 119.950 -0.038 0.000 2.578 631 F HA 0.437 4.951 4.527 -0.022 0.000 0.376 631 F C 1.264 177.074 175.800 0.017 0.000 1.085 631 F CA 0.765 58.770 58.000 0.008 0.000 1.260 631 F CB 0.970 39.968 39.000 -0.004 0.000 1.095 631 F HN -0.073 nan 8.300 nan 0.000 0.573 632 V N 4.628 124.137 119.914 -0.674 0.000 2.735 632 V HA 0.079 4.186 4.120 -0.022 0.000 0.234 632 V C 0.422 176.049 176.094 -0.778 0.000 1.121 632 V CA 1.050 63.042 62.300 -0.512 0.000 1.160 632 V CB 0.441 32.089 31.823 -0.293 0.000 0.908 632 V HN 1.022 nan 8.190 nan 0.000 0.495 633 C N -1.773 116.914 119.300 -1.023 0.000 3.285 633 C HA 0.713 5.160 4.460 -0.022 0.000 0.325 633 C C -1.164 173.657 174.990 -0.282 0.000 1.304 633 C CA -1.316 57.361 59.018 -0.569 0.000 1.319 633 C CB 0.847 28.471 27.740 -0.193 0.000 1.640 633 C HN 0.321 nan 8.230 nan 0.000 0.477 634 F N 2.154 122.107 119.950 0.005 0.000 2.415 634 F HA 0.805 5.319 4.527 -0.022 0.000 0.348 634 F C -0.612 175.155 175.800 -0.056 0.000 1.119 634 F CA -1.107 56.920 58.000 0.044 0.000 1.069 634 F CB 0.828 39.915 39.000 0.146 0.000 1.124 634 F HN 0.670 nan 8.300 nan 0.000 0.472 635 L N 5.945 126.650 121.223 -0.863 0.000 2.317 635 L HA 0.671 4.997 4.340 -0.022 0.000 0.281 635 L C -0.150 175.915 176.870 -1.341 0.000 1.024 635 L CA -0.554 53.822 54.840 -0.772 0.000 0.810 635 L CB 1.669 43.460 42.059 -0.447 0.000 1.240 635 L HN 0.768 nan 8.230 nan 0.000 0.427 636 S N 1.176 116.389 115.700 -0.811 0.000 2.720 636 S HA 0.631 5.088 4.470 -0.022 0.000 0.287 636 S C 0.668 175.166 174.600 -0.171 0.000 1.168 636 S CA -0.078 57.737 58.200 -0.641 0.000 0.832 636 S CB 1.442 64.511 63.200 -0.218 0.000 1.166 636 S HN 0.626 nan 8.310 nan 0.000 0.493 637 A N 0.610 123.455 122.820 0.042 0.000 2.032 637 A HA -0.087 4.220 4.320 -0.022 0.000 0.221 637 A C 1.438 179.084 177.584 0.104 0.000 1.165 637 A CA 2.076 54.219 52.037 0.177 0.000 0.645 637 A CB -1.170 17.904 19.000 0.122 0.000 0.807 637 A HN 0.806 nan 8.150 nan 0.000 0.453 638 D N -0.020 120.414 120.400 0.056 0.000 2.347 638 D HA -0.041 4.585 4.640 -0.022 0.000 0.215 638 D C 0.635 176.968 176.300 0.054 0.000 0.976 638 D CA 0.609 54.637 54.000 0.048 0.000 0.884 638 D CB -0.175 40.648 40.800 0.039 0.000 0.915 638 D HN 0.460 nan 8.370 nan 0.000 0.526 639 D N 0.075 120.512 120.400 0.062 0.000 2.340 639 D HA 0.054 4.681 4.640 -0.022 0.000 0.220 639 D C 0.708 177.074 176.300 0.110 0.000 1.039 639 D CA 0.039 54.090 54.000 0.085 0.000 0.866 639 D CB 1.179 42.016 40.800 0.061 0.000 0.913 639 D HN 0.257 nan 8.370 nan 0.000 0.523 640 I N 3.345 123.962 120.570 0.079 0.000 2.337 640 I HA 0.050 4.207 4.170 -0.022 0.000 0.291 640 I C -0.935 175.162 176.117 -0.034 0.000 1.046 640 I CA -1.384 59.926 61.300 0.017 0.000 1.324 640 I CB 1.547 39.554 38.000 0.013 0.000 1.409 640 I HN -0.219 nan 8.210 nan 0.000 0.494 641 P HA -0.018 nan 4.420 nan 0.000 0.217 641 P C 1.039 178.269 177.300 -0.116 0.000 1.154 641 P CA 0.886 63.908 63.100 -0.131 0.000 0.841 641 P CB 0.512 32.013 31.700 -0.333 0.000 0.788 642 G N -0.336 108.375 108.800 -0.149 0.000 2.722 642 G HA2 0.170 4.117 3.960 -0.022 0.000 0.201 642 G HA3 0.170 4.117 3.960 -0.022 0.000 0.201 642 G C -0.138 174.713 174.900 -0.082 0.000 1.926 642 G CA 0.260 45.296 45.100 -0.108 0.000 0.872 642 G HN 0.393 nan 8.290 nan 0.000 0.581 643 S N -0.776 114.869 115.700 -0.092 0.000 2.513 643 S HA 0.382 4.839 4.470 -0.022 0.000 0.299 643 S C 0.154 174.696 174.600 -0.097 0.000 1.087 643 S CA -0.640 57.511 58.200 -0.082 0.000 1.012 643 S CB 1.719 64.868 63.200 -0.085 0.000 1.044 643 S HN 0.301 nan 8.310 nan 0.000 0.485 644 N N 2.388 121.044 118.700 -0.073 0.000 2.322 644 N HA 0.090 4.817 4.740 -0.022 0.000 0.194 644 N C -0.112 175.343 175.510 -0.092 0.000 1.126 644 N CA 0.063 53.068 53.050 -0.076 0.000 0.845 644 N CB 0.239 38.714 38.487 -0.021 0.000 0.976 644 N HN 0.768 nan 8.380 nan 0.000 0.475 645 E N -0.068 120.068 120.200 -0.106 0.000 2.146 645 E HA 0.280 4.617 4.350 -0.022 0.000 0.282 645 E C -0.827 175.645 176.600 -0.213 0.000 0.989 645 E CA -0.222 56.109 56.400 -0.116 0.000 0.799 645 E CB 0.902 30.555 29.700 -0.078 0.000 1.088 645 E HN 0.011 nan 8.360 nan 0.000 0.397 646 T N 2.207 116.612 114.554 -0.248 0.000 2.647 646 T HA 0.736 5.073 4.350 -0.022 0.000 0.295 646 T C -0.724 173.715 174.700 -0.435 0.000 1.126 646 T CA 0.409 62.224 62.100 -0.475 0.000 1.040 646 T CB 1.167 69.756 68.868 -0.465 0.000 1.472 646 T HN 0.942 nan 8.240 nan 0.000 0.500 647 G N 0.566 108.992 108.800 -0.624 0.000 2.705 647 G HA2 -0.061 3.886 3.960 -0.022 0.000 0.686 647 G HA3 -0.061 3.886 3.960 -0.022 0.000 0.686 647 G C 0.324 175.224 174.900 -0.000 0.000 1.285 647 G CA -0.116 44.899 45.100 -0.141 0.000 0.800 647 G HN 1.039 nan 8.290 nan 0.000 0.611 648 L N 0.286 121.620 121.223 0.185 0.000 2.129 648 L HA 0.158 4.485 4.340 -0.022 0.000 0.212 648 L C 1.962 178.561 176.870 -0.452 0.000 1.087 648 L CA 2.479 57.288 54.840 -0.052 0.000 0.757 648 L CB -0.314 41.625 42.059 -0.201 0.000 0.896 648 L HN 0.570 nan 8.230 nan 0.000 0.434 649 F N -1.252 118.736 119.950 0.063 0.000 2.698 649 F HA 0.277 4.791 4.527 -0.022 0.000 0.304 649 F C 1.037 176.824 175.800 -0.021 0.000 1.108 649 F CA -0.463 57.544 58.000 0.013 0.000 1.263 649 F CB 0.063 39.050 39.000 -0.021 0.000 1.013 649 F HN -0.012 nan 8.300 nan 0.000 0.532 650 N N 1.612 120.338 118.700 0.044 0.000 2.741 650 N HA -0.187 4.540 4.740 -0.022 0.000 0.250 650 N C -0.125 175.391 175.510 0.011 0.000 1.115 650 N CA 1.266 54.308 53.050 -0.013 0.000 0.724 650 N CB -1.005 37.479 38.487 -0.004 0.000 1.090 650 N HN 0.519 nan 8.380 nan 0.000 0.558 651 D N -0.977 119.441 120.400 0.029 0.000 2.431 651 D HA 0.114 4.741 4.640 -0.022 0.000 0.213 651 D C 0.248 176.568 176.300 0.033 0.000 1.130 651 D CA 0.217 54.239 54.000 0.037 0.000 0.834 651 D CB 0.226 41.049 40.800 0.038 0.000 0.985 651 D HN 0.391 nan 8.370 nan 0.000 0.504 652 E N 0.050 120.254 120.200 0.007 0.000 2.249 652 E HA 0.515 4.852 4.350 -0.022 0.000 0.263 652 E C -0.250 176.358 176.600 0.012 0.000 0.950 652 E CA -0.968 55.451 56.400 0.031 0.000 0.827 652 E CB 1.423 31.136 29.700 0.023 0.000 1.220 652 E HN 0.093 nan 8.360 nan 0.000 0.411 653 T N -1.896 112.699 114.554 0.068 0.000 2.927 653 T HA 0.225 4.562 4.350 -0.022 0.000 0.281 653 T C 1.026 175.694 174.700 -0.054 0.000 0.998 653 T CA -0.836 61.274 62.100 0.017 0.000 1.019 653 T CB 1.292 70.196 68.868 0.060 0.000 1.061 653 T HN 0.177 nan 8.240 nan 0.000 0.518 654 V N -0.311 119.511 119.914 -0.153 0.000 2.346 654 V HA 0.180 4.287 4.120 -0.022 0.000 0.244 654 V C 0.209 176.056 176.094 -0.411 0.000 1.037 654 V CA 1.076 63.166 62.300 -0.350 0.000 1.029 654 V CB -0.624 30.908 31.823 -0.485 0.000 0.663 654 V HN 0.821 nan 8.190 nan 0.000 0.454 655 F N -0.587 119.333 119.950 -0.052 0.000 2.518 655 F HA 0.700 5.214 4.527 -0.022 0.000 0.323 655 F C 0.374 176.116 175.800 -0.097 0.000 1.129 655 F CA -0.960 56.993 58.000 -0.078 0.000 0.920 655 F CB 1.155 40.106 39.000 -0.081 0.000 1.160 655 F HN 0.006 nan 8.300 nan 0.000 0.440 656 A N 3.814 126.619 122.820 -0.024 0.000 2.565 656 A HA 0.080 4.387 4.320 -0.022 0.000 0.237 656 A C 0.841 178.428 177.584 0.005 0.000 1.053 656 A CA 0.277 52.237 52.037 -0.128 0.000 0.755 656 A CB 0.475 19.226 19.000 -0.416 0.000 0.980 656 A HN 1.030 nan 8.150 nan 0.000 0.506 657 K N 0.231 120.652 120.400 0.036 0.000 2.274 657 K HA 0.048 4.355 4.320 -0.022 0.000 0.219 657 K C 0.446 177.072 176.600 0.043 0.000 1.058 657 K CA 0.650 56.965 56.287 0.047 0.000 0.920 657 K CB 0.218 32.750 32.500 0.054 0.000 1.124 657 K HN 0.768 nan 8.250 nan 0.000 0.464 658 D N -0.047 120.388 120.400 0.058 0.000 2.394 658 D HA -0.001 4.626 4.640 -0.022 0.000 0.226 658 D C 0.273 176.619 176.300 0.078 0.000 0.990 658 D CA 0.735 54.769 54.000 0.056 0.000 0.902 658 D CB 0.877 41.711 40.800 0.056 0.000 1.038 658 D HN 0.340 nan 8.370 nan 0.000 0.499 659 T N -0.686 113.938 114.554 0.117 0.000 2.893 659 T HA 0.556 4.893 4.350 -0.022 0.000 0.293 659 T C -0.102 174.746 174.700 0.247 0.000 1.027 659 T CA -0.933 61.273 62.100 0.176 0.000 0.988 659 T CB 2.456 71.442 68.868 0.196 0.000 1.043 659 T HN -0.102 nan 8.240 nan 0.000 0.461 660 V N 0.599 120.702 119.914 0.315 0.000 2.617 660 V HA 0.841 4.948 4.120 -0.022 0.000 0.298 660 V C 0.686 177.044 176.094 0.439 0.000 1.048 660 V CA -0.080 62.502 62.300 0.471 0.000 0.964 660 V CB 1.146 33.215 31.823 0.410 0.000 1.004 660 V HN 1.244 nan 8.190 nan 0.000 0.466 661 T N -1.297 113.463 114.554 0.342 0.000 3.275 661 T HA 0.426 4.763 4.350 -0.022 0.000 0.298 661 T C 0.079 174.719 174.700 -0.099 0.000 0.988 661 T CA 0.328 62.426 62.100 -0.003 0.000 0.936 661 T CB -0.741 68.050 68.868 -0.128 0.000 1.159 661 T HN 1.750 nan 8.240 nan 0.000 0.519 662 C N -1.603 117.701 119.300 0.006 0.000 3.275 662 C HA 0.706 5.153 4.460 -0.022 0.000 0.340 662 C C 1.208 176.259 174.990 0.103 0.000 1.366 662 C CA -0.577 58.452 59.018 0.019 0.000 1.227 662 C CB 0.798 28.520 27.740 -0.031 0.000 1.512 662 C HN 0.014 nan 8.230 nan 0.000 0.461 663 V N 1.787 121.750 119.914 0.082 0.000 2.358 663 V HA 0.079 4.186 4.120 -0.022 0.000 0.246 663 V C 2.417 178.588 176.094 0.127 0.000 1.047 663 V CA 2.716 65.070 62.300 0.090 0.000 1.035 663 V CB -0.878 30.977 31.823 0.053 0.000 0.658 663 V HN 1.225 nan 8.190 nan 0.000 0.452 664 G N -1.431 107.445 108.800 0.126 0.000 3.332 664 G HA2 -0.051 3.896 3.960 -0.022 0.000 0.242 664 G HA3 -0.051 3.896 3.960 -0.022 0.000 0.242 664 G C 0.380 175.408 174.900 0.213 0.000 1.276 664 G CA -0.270 44.918 45.100 0.147 0.000 0.988 664 G HN 0.630 nan 8.290 nan 0.000 0.517 665 H N 0.453 119.592 119.070 0.115 0.000 2.819 665 H HA 0.238 4.781 4.556 -0.022 0.000 0.303 665 H C 0.124 175.540 175.328 0.147 0.000 1.058 665 H CA -0.889 55.232 56.048 0.122 0.000 1.471 665 H CB 0.618 30.456 29.762 0.127 0.000 1.480 665 H HN 0.008 nan 8.280 nan 0.000 0.517 666 I N 7.188 127.882 120.570 0.207 0.000 2.533 666 I HA -0.126 4.031 4.170 -0.022 0.000 0.284 666 I C 0.954 177.111 176.117 0.067 0.000 1.109 666 I CA 0.399 61.789 61.300 0.149 0.000 1.412 666 I CB 0.775 38.890 38.000 0.192 0.000 1.396 666 I HN 0.709 nan 8.210 nan 0.000 0.543 667 I N 4.232 124.872 120.570 0.117 0.000 3.445 667 I HA 0.301 4.458 4.170 -0.022 0.000 0.288 667 I C 1.127 177.234 176.117 -0.017 0.000 1.198 667 I CA 0.226 61.566 61.300 0.067 0.000 1.417 667 I CB 0.514 38.566 38.000 0.087 0.000 1.205 667 I HN 0.751 nan 8.210 nan 0.000 0.448 668 G N 0.443 109.172 108.800 -0.118 0.000 2.490 668 G HA2 0.728 4.675 3.960 -0.022 0.000 0.308 668 G HA3 0.728 4.675 3.960 -0.022 0.000 0.308 668 G C -2.071 172.540 174.900 -0.482 0.000 1.286 668 G CA 0.132 44.769 45.100 -0.772 0.000 0.825 668 G HN 0.189 nan 8.290 nan 0.000 0.479 669 A N -1.282 121.122 122.820 -0.692 0.000 2.566 669 A HA 0.743 5.050 4.320 -0.022 0.000 0.297 669 A C -1.409 176.088 177.584 -0.144 0.000 1.059 669 A CA -0.416 51.503 52.037 -0.197 0.000 0.691 669 A CB 1.738 20.718 19.000 -0.034 0.000 1.282 669 A HN 1.500 nan 8.150 nan 0.000 0.401 670 V N 1.634 121.608 119.914 0.099 0.000 2.532 670 V HA 0.590 4.697 4.120 -0.022 0.000 0.295 670 V C -0.294 175.835 176.094 0.059 0.000 1.041 670 V CA -0.370 62.033 62.300 0.172 0.000 0.926 670 V CB 1.680 33.688 31.823 0.308 0.000 0.992 670 V HN 0.732 nan 8.190 nan 0.000 0.457 671 V N 3.795 123.672 119.914 -0.063 0.000 2.555 671 V HA 0.963 5.070 4.120 -0.022 0.000 0.302 671 V C 0.153 176.182 176.094 -0.108 0.000 1.038 671 V CA -0.178 62.083 62.300 -0.066 0.000 0.887 671 V CB 1.475 33.228 31.823 -0.117 0.000 0.991 671 V HN 1.092 nan 8.190 nan 0.000 0.434 672 A N 2.625 125.470 122.820 0.042 0.000 2.568 672 A HA 0.698 5.005 4.320 -0.022 0.000 0.291 672 A C 0.244 177.950 177.584 0.203 0.000 1.159 672 A CA 0.009 52.105 52.037 0.099 0.000 0.679 672 A CB 1.456 20.576 19.000 0.200 0.000 1.285 672 A HN 0.751 nan 8.150 nan 0.000 0.428 673 D N -0.464 120.071 120.400 0.224 0.000 2.323 673 D HA 0.065 4.692 4.640 -0.022 0.000 0.209 673 D C 0.699 177.220 176.300 0.369 0.000 0.973 673 D CA 1.585 55.741 54.000 0.261 0.000 0.874 673 D CB -0.147 40.766 40.800 0.188 0.000 0.930 673 D HN 0.744 nan 8.370 nan 0.000 0.521 674 T N -4.166 110.499 114.554 0.185 0.000 2.906 674 T HA 0.456 4.793 4.350 -0.022 0.000 0.295 674 T C -2.437 172.018 174.700 -0.408 0.000 1.075 674 T CA -1.625 60.301 62.100 -0.291 0.000 1.005 674 T CB 2.901 71.532 68.868 -0.395 0.000 1.136 674 T HN -0.343 nan 8.240 nan 0.000 0.498 675 P HA 0.097 nan 4.420 nan 0.000 0.227 675 P C 0.887 178.084 177.300 -0.170 0.000 1.161 675 P CA 0.733 63.599 63.100 -0.390 0.000 0.788 675 P CB 0.236 31.664 31.700 -0.453 0.000 0.822 676 E N -0.852 119.206 120.200 -0.237 0.000 2.110 676 E HA -0.185 4.152 4.350 -0.022 0.000 0.193 676 E C 2.066 178.658 176.600 -0.012 0.000 0.988 676 E CA 1.147 57.459 56.400 -0.147 0.000 0.804 676 E CB -0.706 28.850 29.700 -0.241 0.000 0.745 676 E HN 0.377 nan 8.360 nan 0.000 0.458 677 H N -0.396 118.669 119.070 -0.008 0.000 2.395 677 H HA 0.150 4.693 4.556 -0.022 0.000 0.299 677 H C 1.955 177.342 175.328 0.098 0.000 1.070 677 H CA 1.182 57.261 56.048 0.052 0.000 1.356 677 H CB -0.522 29.278 29.762 0.064 0.000 1.401 677 H HN 0.219 nan 8.280 nan 0.000 0.524 678 A N 0.968 123.916 122.820 0.214 0.000 1.877 678 A HA -0.215 4.092 4.320 -0.022 0.000 0.216 678 A C 2.376 180.064 177.584 0.174 0.000 1.186 678 A CA 1.827 53.981 52.037 0.196 0.000 0.620 678 A CB -0.480 18.631 19.000 0.185 0.000 0.822 678 A HN 0.524 nan 8.150 nan 0.000 0.443 679 E N -0.421 119.856 120.200 0.128 0.000 2.038 679 E HA -0.276 4.061 4.350 -0.022 0.000 0.195 679 E C 2.312 179.000 176.600 0.145 0.000 1.000 679 E CA 1.503 57.974 56.400 0.117 0.000 0.803 679 E CB -0.191 29.549 29.700 0.067 0.000 0.750 679 E HN 0.563 nan 8.360 nan 0.000 0.448 680 R N -0.187 120.399 120.500 0.144 0.000 2.083 680 R HA -0.190 4.137 4.340 -0.022 0.000 0.237 680 R C 2.278 178.675 176.300 0.161 0.000 1.137 680 R CA 1.553 57.744 56.100 0.150 0.000 0.951 680 R CB -0.334 30.058 30.300 0.154 0.000 0.851 680 R HN 0.260 nan 8.270 nan 0.000 0.434 681 A N 0.378 123.301 122.820 0.172 0.000 1.898 681 A HA -0.062 4.245 4.320 -0.022 0.000 0.216 681 A C 2.311 179.986 177.584 0.153 0.000 1.181 681 A CA 1.541 53.674 52.037 0.160 0.000 0.620 681 A CB -0.708 18.473 19.000 0.303 0.000 0.819 681 A HN 0.523 nan 8.150 nan 0.000 0.442 682 A N -0.937 121.998 122.820 0.192 0.000 1.972 682 A HA -0.196 4.111 4.320 -0.022 0.000 0.219 682 A C 1.969 179.635 177.584 0.136 0.000 1.169 682 A CA 2.062 54.207 52.037 0.180 0.000 0.635 682 A CB -0.804 18.312 19.000 0.193 0.000 0.810 682 A HN 0.776 nan 8.150 nan 0.000 0.446 683 H N -1.546 117.566 119.070 0.071 0.000 2.546 683 H HA 0.174 4.717 4.556 -0.022 0.000 0.277 683 H C 1.196 176.540 175.328 0.026 0.000 1.004 683 H CA 1.428 57.507 56.048 0.052 0.000 1.231 683 H CB 0.161 29.953 29.762 0.049 0.000 1.382 683 H HN 0.132 nan 8.280 nan 0.000 0.580 684 V N 0.261 120.096 119.914 -0.130 0.000 3.528 684 V HA 0.165 4.272 4.120 -0.022 0.000 0.294 684 V C 0.038 176.028 176.094 -0.173 0.000 1.404 684 V CA 0.012 62.204 62.300 -0.179 0.000 1.065 684 V CB 0.431 32.217 31.823 -0.063 0.000 0.904 684 V HN 0.101 nan 8.190 nan 0.000 0.435 685 V N 2.057 121.879 119.914 -0.153 0.000 2.485 685 V HA 0.077 4.183 4.120 -0.022 0.000 0.287 685 V C 0.401 176.382 176.094 -0.188 0.000 1.022 685 V CA 0.235 62.412 62.300 -0.206 0.000 1.067 685 V CB 0.585 32.280 31.823 -0.214 0.000 0.967 685 V HN 0.379 nan 8.190 nan 0.000 0.479 686 K N 4.242 124.521 120.400 -0.202 0.000 2.264 686 K HA 0.495 4.802 4.320 -0.022 0.000 0.277 686 K C -0.817 175.677 176.600 -0.177 0.000 1.067 686 K CA -0.233 55.960 56.287 -0.156 0.000 0.900 686 K CB 1.289 33.705 32.500 -0.139 0.000 1.124 686 K HN 0.533 nan 8.250 nan 0.000 0.469 687 V N 2.882 122.700 119.914 -0.160 0.000 2.435 687 V HA 0.292 4.399 4.120 -0.022 0.000 0.290 687 V C 0.037 175.933 176.094 -0.330 0.000 1.030 687 V CA -0.754 61.362 62.300 -0.307 0.000 0.881 687 V CB 1.763 33.327 31.823 -0.431 0.000 0.983 687 V HN 0.681 nan 8.190 nan 0.000 0.445 688 T N 4.827 119.174 114.554 -0.346 0.000 2.794 688 T HA 0.690 5.027 4.350 -0.022 0.000 0.280 688 T C -1.012 173.549 174.700 -0.232 0.000 0.987 688 T CA -0.090 61.908 62.100 -0.171 0.000 0.993 688 T CB 0.597 69.414 68.868 -0.085 0.000 0.939 688 T HN 0.478 nan 8.240 nan 0.000 0.449 689 Y N 0.869 121.168 120.300 -0.001 0.000 2.633 689 Y HA 0.593 5.130 4.550 -0.022 0.000 0.339 689 Y C 0.381 176.281 175.900 -0.001 0.000 1.045 689 Y CA -1.362 56.741 58.100 0.006 0.000 1.098 689 Y CB 1.575 40.045 38.460 0.016 0.000 1.296 689 Y HN 0.524 nan 8.280 nan 0.000 0.494 690 E N 1.512 121.826 120.200 0.190 0.000 2.325 690 E HA 0.220 4.557 4.350 -0.022 0.000 0.248 690 E C -1.595 175.032 176.600 0.044 0.000 0.912 690 E CA -0.741 55.710 56.400 0.085 0.000 0.782 690 E CB 0.624 30.350 29.700 0.043 0.000 1.264 690 E HN 0.545 nan 8.360 nan 0.000 0.417 691 D N 3.244 123.654 120.400 0.017 0.000 2.449 691 D HA 0.137 4.763 4.640 -0.022 0.000 0.236 691 D C -0.165 176.088 176.300 -0.078 0.000 1.149 691 D CA 0.709 54.692 54.000 -0.027 0.000 0.878 691 D CB 0.773 41.556 40.800 -0.028 0.000 1.198 691 D HN 0.419 nan 8.370 nan 0.000 0.446 692 L N 2.193 123.325 121.223 -0.152 0.000 2.388 692 L HA 0.312 4.639 4.340 -0.022 0.000 0.264 692 L C -2.332 174.450 176.870 -0.146 0.000 0.998 692 L CA -2.139 52.537 54.840 -0.273 0.000 0.817 692 L CB 2.333 43.962 42.059 -0.717 0.000 1.338 692 L HN 0.071 nan 8.230 nan 0.000 0.414 693 P HA -0.018 nan 4.420 nan 0.000 0.255 693 P C -0.812 176.592 177.300 0.174 0.000 1.173 693 P CA 0.268 63.394 63.100 0.043 0.000 0.780 693 P CB 0.331 32.048 31.700 0.028 0.000 0.758 694 A N 4.460 127.350 122.820 0.116 0.000 2.293 694 A HA 0.647 4.954 4.320 -0.022 0.000 0.302 694 A C -0.173 177.412 177.584 0.003 0.000 1.119 694 A CA -0.594 51.499 52.037 0.093 0.000 0.823 694 A CB 0.425 19.465 19.000 0.066 0.000 1.097 694 A HN 0.484 nan 8.150 nan 0.000 0.491 695 I N 2.127 122.667 120.570 -0.051 0.000 2.410 695 I HA 0.306 4.463 4.170 -0.022 0.000 0.286 695 I C -0.119 175.936 176.117 -0.103 0.000 1.009 695 I CA 0.028 61.275 61.300 -0.088 0.000 1.111 695 I CB 1.665 39.589 38.000 -0.128 0.000 1.262 695 I HN 0.661 nan 8.210 nan 0.000 0.443 696 I N 2.842 123.352 120.570 -0.099 0.000 3.366 696 I HA 0.046 4.203 4.170 -0.022 0.000 0.267 696 I C 1.372 177.410 176.117 -0.131 0.000 1.149 696 I CA 0.594 61.821 61.300 -0.123 0.000 1.436 696 I CB 0.255 38.184 38.000 -0.119 0.000 1.379 696 I HN 0.629 nan 8.210 nan 0.000 0.460 697 T N -1.337 113.152 114.554 -0.107 0.000 2.847 697 T HA 0.336 4.673 4.350 -0.022 0.000 0.279 697 T C 1.320 175.981 174.700 -0.066 0.000 0.984 697 T CA -0.350 61.699 62.100 -0.086 0.000 0.988 697 T CB 0.984 69.803 68.868 -0.081 0.000 1.040 697 T HN 0.090 nan 8.240 nan 0.000 0.528 698 I N 0.845 121.407 120.570 -0.014 0.000 2.208 698 I HA -0.182 3.974 4.170 -0.022 0.000 0.245 698 I C 2.553 178.629 176.117 -0.068 0.000 1.097 698 I CA 1.659 62.959 61.300 0.000 0.000 1.363 698 I CB -0.406 37.653 38.000 0.097 0.000 1.051 698 I HN 0.742 nan 8.210 nan 0.000 0.413 699 E N 0.503 120.659 120.200 -0.072 0.000 2.106 699 E HA -0.209 4.128 4.350 -0.022 0.000 0.192 699 E C 1.747 178.290 176.600 -0.095 0.000 0.984 699 E CA 1.100 57.445 56.400 -0.091 0.000 0.806 699 E CB -0.263 29.392 29.700 -0.073 0.000 0.750 699 E HN 0.385 nan 8.360 nan 0.000 0.458 700 D N 0.338 120.682 120.400 -0.093 0.000 2.123 700 D HA -0.149 4.478 4.640 -0.022 0.000 0.196 700 D C 1.827 178.042 176.300 -0.142 0.000 0.992 700 D CA 1.629 55.569 54.000 -0.100 0.000 0.833 700 D CB -0.237 40.505 40.800 -0.096 0.000 0.954 700 D HN 0.247 nan 8.370 nan 0.000 0.455 701 A N 0.109 122.822 122.820 -0.178 0.000 1.930 701 A HA -0.015 4.292 4.320 -0.022 0.000 0.215 701 A C 2.360 179.704 177.584 -0.399 0.000 1.176 701 A CA 0.455 52.311 52.037 -0.301 0.000 0.632 701 A CB -0.475 18.349 19.000 -0.294 0.000 0.819 701 A HN 0.155 nan 8.150 nan 0.000 0.445 702 I N -0.021 120.423 120.570 -0.210 0.000 2.179 702 I HA -0.279 3.878 4.170 -0.022 0.000 0.242 702 I C 2.501 178.577 176.117 -0.069 0.000 1.088 702 I CA 1.882 63.143 61.300 -0.065 0.000 1.357 702 I CB -0.207 37.756 38.000 -0.062 0.000 1.051 702 I HN 0.403 nan 8.210 nan 0.000 0.409 703 K N 1.175 121.521 120.400 -0.089 0.000 2.113 703 K HA -0.206 4.101 4.320 -0.022 0.000 0.208 703 K C 1.296 177.849 176.600 -0.077 0.000 1.047 703 K CA 1.868 58.117 56.287 -0.064 0.000 0.928 703 K CB -0.122 32.340 32.500 -0.063 0.000 0.716 703 K HN 0.410 nan 8.250 nan 0.000 0.446 704 N N 0.862 119.477 118.700 -0.141 0.000 2.235 704 N HA 0.006 4.733 4.740 -0.022 0.000 0.209 704 N C -0.696 174.692 175.510 -0.205 0.000 1.122 704 N CA 0.096 53.059 53.050 -0.144 0.000 0.845 704 N CB 0.260 38.660 38.487 -0.145 0.000 1.004 704 N HN 0.210 nan 8.380 nan 0.000 0.499 705 N N 0.677 119.219 118.700 -0.263 0.000 2.708 705 N HA -0.179 4.547 4.740 -0.022 0.000 0.251 705 N C -0.755 174.400 175.510 -0.592 0.000 1.017 705 N CA 0.467 53.314 53.050 -0.338 0.000 0.742 705 N CB -0.951 37.597 38.487 0.102 0.000 0.943 705 N HN 0.031 nan 8.380 nan 0.000 0.539 706 S N 0.484 115.677 115.700 -0.845 0.000 2.955 706 S HA 0.470 4.927 4.470 -0.022 0.000 0.294 706 S C -0.526 173.611 174.600 -0.771 0.000 1.198 706 S CA -0.474 57.368 58.200 -0.596 0.000 1.008 706 S CB -0.202 62.735 63.200 -0.439 0.000 1.279 706 S HN 0.291 nan 8.310 nan 0.000 0.508 707 F N 1.923 121.765 119.950 -0.179 0.000 2.598 707 F HA 0.479 4.992 4.527 -0.022 0.000 0.327 707 F C -0.473 175.178 175.800 -0.248 0.000 1.057 707 F CA -1.271 56.611 58.000 -0.198 0.000 0.957 707 F CB 1.313 40.274 39.000 -0.064 0.000 1.278 707 F HN 0.261 nan 8.300 nan 0.000 0.484 708 Y N 1.153 121.575 120.300 0.203 0.000 2.417 708 Y HA 0.496 5.033 4.550 -0.022 0.000 0.336 708 Y C 0.729 176.666 175.900 0.061 0.000 0.961 708 Y CA -0.115 58.036 58.100 0.086 0.000 1.215 708 Y CB 0.942 39.427 38.460 0.042 0.000 1.120 708 Y HN 0.872 nan 8.280 nan 0.000 0.499 709 G N 2.080 111.002 108.800 0.204 0.000 2.553 709 G HA2 -0.177 3.770 3.960 -0.022 0.000 0.242 709 G HA3 -0.177 3.770 3.960 -0.022 0.000 0.242 709 G C -0.506 174.432 174.900 0.063 0.000 1.277 709 G CA -0.367 44.796 45.100 0.105 0.000 0.910 709 G HN 0.905 nan 8.290 nan 0.000 0.576 710 S N -0.826 114.881 115.700 0.011 0.000 2.689 710 S HA 0.694 5.151 4.470 -0.022 0.000 0.306 710 S C -0.015 174.524 174.600 -0.102 0.000 1.104 710 S CA 0.361 58.534 58.200 -0.044 0.000 0.973 710 S CB 2.173 65.359 63.200 -0.023 0.000 1.121 710 S HN 1.215 nan 8.310 nan 0.000 0.523 711 E N 0.310 120.417 120.200 -0.155 0.000 2.481 711 E HA 0.133 4.470 4.350 -0.022 0.000 0.263 711 E C -1.053 175.465 176.600 -0.137 0.000 0.992 711 E CA -0.102 56.184 56.400 -0.189 0.000 0.938 711 E CB 0.227 29.816 29.700 -0.185 0.000 0.933 711 E HN 0.556 nan 8.360 nan 0.000 0.453 712 L N 3.566 124.689 121.223 -0.167 0.000 2.330 712 L HA 0.611 4.938 4.340 -0.022 0.000 0.271 712 L C -0.081 176.774 176.870 -0.025 0.000 1.013 712 L CA -0.888 53.864 54.840 -0.147 0.000 0.816 712 L CB 1.608 43.471 42.059 -0.327 0.000 1.287 712 L HN 0.527 nan 8.230 nan 0.000 0.435 713 K N 2.015 122.491 120.400 0.127 0.000 2.557 713 K HA 0.613 4.920 4.320 -0.022 0.000 0.261 713 K C -1.953 174.796 176.600 0.249 0.000 0.932 713 K CA -0.488 55.896 56.287 0.161 0.000 0.829 713 K CB 2.259 34.822 32.500 0.106 0.000 1.358 713 K HN 0.572 nan 8.250 nan 0.000 0.430 714 I N 2.666 123.346 120.570 0.184 0.000 2.436 714 I HA 0.339 4.496 4.170 -0.022 0.000 0.289 714 I C -0.896 175.317 176.117 0.161 0.000 1.010 714 I CA -0.609 60.791 61.300 0.167 0.000 1.098 714 I CB 2.018 40.126 38.000 0.179 0.000 1.266 714 I HN 0.641 nan 8.210 nan 0.000 0.434 715 E N 6.903 127.181 120.200 0.129 0.000 2.302 715 E HA 0.336 4.673 4.350 -0.022 0.000 0.263 715 E C -1.439 175.208 176.600 0.079 0.000 0.897 715 E CA -0.739 55.719 56.400 0.096 0.000 0.809 715 E CB 1.759 31.502 29.700 0.072 0.000 1.270 715 E HN 0.458 nan 8.360 nan 0.000 0.410 716 K N 3.447 123.890 120.400 0.073 0.000 2.292 716 K HA 0.650 4.957 4.320 -0.022 0.000 0.257 716 K C -0.044 176.560 176.600 0.007 0.000 0.940 716 K CA 0.248 56.564 56.287 0.047 0.000 0.811 716 K CB 1.510 34.053 32.500 0.072 0.000 1.120 716 K HN 0.781 nan 8.250 nan 0.000 0.428 717 G N 2.635 111.432 108.800 -0.006 0.000 2.568 717 G HA2 -0.222 3.725 3.960 -0.022 0.000 0.222 717 G HA3 -0.222 3.725 3.960 -0.022 0.000 0.222 717 G C -1.245 173.632 174.900 -0.039 0.000 1.321 717 G CA -0.304 44.778 45.100 -0.031 0.000 0.893 717 G HN 0.638 nan 8.290 nan 0.000 0.569 718 D N 0.664 121.027 120.400 -0.062 0.000 2.464 718 D HA 0.545 5.172 4.640 -0.022 0.000 0.243 718 D C 1.753 177.992 176.300 -0.102 0.000 1.104 718 D CA -0.440 53.525 54.000 -0.059 0.000 0.883 718 D CB 0.680 41.456 40.800 -0.041 0.000 1.050 718 D HN 0.372 nan 8.370 nan 0.000 0.524 719 L N 2.385 123.551 121.223 -0.096 0.000 1.976 719 L HA -0.063 4.264 4.340 -0.022 0.000 0.209 719 L C 1.532 178.362 176.870 -0.068 0.000 1.071 719 L CA 0.875 55.605 54.840 -0.183 0.000 0.746 719 L CB -0.215 41.796 42.059 -0.080 0.000 0.890 719 L HN 0.236 nan 8.230 nan 0.000 0.432 720 K N 1.076 121.527 120.400 0.085 0.000 2.079 720 K HA -0.088 4.219 4.320 -0.022 0.000 0.255 720 K C 0.584 177.206 176.600 0.038 0.000 1.114 720 K CA 0.519 56.874 56.287 0.114 0.000 1.056 720 K CB 0.036 32.590 32.500 0.088 0.000 1.176 720 K HN 0.094 nan 8.250 nan 0.000 0.353 721 K N 1.754 122.166 120.400 0.020 0.000 2.726 721 K HA -0.086 4.221 4.320 -0.022 0.000 0.229 721 K C 0.993 177.559 176.600 -0.056 0.000 1.527 721 K CA 0.861 57.138 56.287 -0.016 0.000 1.173 721 K CB -1.256 31.229 32.500 -0.025 0.000 1.867 721 K HN 0.568 nan 8.250 nan 0.000 0.611 722 G N 0.398 109.119 108.800 -0.132 0.000 2.441 722 G HA2 0.002 3.949 3.960 -0.022 0.000 0.212 722 G HA3 0.002 3.949 3.960 -0.022 0.000 0.212 722 G C 1.196 176.001 174.900 -0.158 0.000 1.164 722 G CA 0.350 45.328 45.100 -0.203 0.000 0.811 722 G HN 0.173 nan 8.290 nan 0.000 0.535 723 F N 1.413 121.338 119.950 -0.042 0.000 2.664 723 F HA 0.037 4.551 4.527 -0.022 0.000 0.297 723 F C 2.305 178.075 175.800 -0.050 0.000 1.164 723 F CA 0.386 58.358 58.000 -0.047 0.000 1.472 723 F CB 0.479 39.455 39.000 -0.040 0.000 1.108 723 F HN 0.104 nan 8.300 nan 0.000 0.596 724 S N -1.243 114.514 115.700 0.094 0.000 2.549 724 S HA -0.034 4.423 4.470 -0.022 0.000 0.225 724 S C 1.407 176.011 174.600 0.006 0.000 1.039 724 S CA -0.120 58.106 58.200 0.043 0.000 0.942 724 S CB 0.256 63.477 63.200 0.034 0.000 0.881 724 S HN 0.372 nan 8.310 nan 0.000 0.503 725 E N 2.125 122.320 120.200 -0.010 0.000 2.437 725 E HA 0.352 4.689 4.350 -0.022 0.000 0.189 725 E C 0.212 176.792 176.600 -0.033 0.000 1.054 725 E CA -0.110 56.274 56.400 -0.025 0.000 0.874 725 E CB 0.092 29.771 29.700 -0.036 0.000 1.011 725 E HN 0.311 nan 8.360 nan 0.000 0.474 726 A N 0.739 123.544 122.820 -0.025 0.000 2.249 726 A HA 0.269 4.576 4.320 -0.022 0.000 0.314 726 A C 0.250 177.773 177.584 -0.103 0.000 1.290 726 A CA -0.643 51.364 52.037 -0.050 0.000 0.893 726 A CB 0.749 19.756 19.000 0.012 0.000 1.165 726 A HN 0.159 nan 8.150 nan 0.000 0.530 727 D N 1.238 121.548 120.400 -0.150 0.000 2.097 727 D HA -0.072 4.555 4.640 -0.022 0.000 0.195 727 D C 0.084 176.220 176.300 -0.273 0.000 0.989 727 D CA 1.593 55.486 54.000 -0.179 0.000 0.827 727 D CB 0.179 40.883 40.800 -0.160 0.000 0.966 727 D HN 0.626 nan 8.370 nan 0.000 0.456 728 N N -0.245 118.145 118.700 -0.518 0.000 2.258 728 N HA 0.319 5.046 4.740 -0.022 0.000 0.299 728 N C -1.131 174.027 175.510 -0.588 0.000 1.047 728 N CA -0.405 52.240 53.050 -0.675 0.000 0.814 728 N CB 3.261 41.047 38.487 -1.168 0.000 1.413 728 N HN -0.252 nan 8.380 nan 0.000 0.478 729 V N 1.788 121.565 119.914 -0.227 0.000 2.444 729 V HA 0.408 4.515 4.120 -0.022 0.000 0.294 729 V C -0.085 176.052 176.094 0.071 0.000 1.022 729 V CA -0.724 61.560 62.300 -0.026 0.000 0.850 729 V CB 1.867 33.636 31.823 -0.092 0.000 0.992 729 V HN 0.341 nan 8.190 nan 0.000 0.426 730 V N 4.324 124.391 119.914 0.255 0.000 2.581 730 V HA 0.826 4.933 4.120 -0.022 0.000 0.303 730 V C 0.125 176.258 176.094 0.065 0.000 1.041 730 V CA -0.142 62.278 62.300 0.199 0.000 0.907 730 V CB 2.193 34.214 31.823 0.330 0.000 0.994 730 V HN 1.026 nan 8.190 nan 0.000 0.442 731 S N 2.837 118.500 115.700 -0.062 0.000 2.661 731 S HA 1.024 5.481 4.470 -0.022 0.000 0.285 731 S C -0.412 173.929 174.600 -0.432 0.000 1.138 731 S CA 0.054 58.093 58.200 -0.268 0.000 0.855 731 S CB 2.362 65.426 63.200 -0.227 0.000 1.136 731 S HN 1.614 nan 8.310 nan 0.000 0.484 732 G N 0.010 108.335 108.800 -0.791 0.000 2.341 732 G HA2 0.494 4.441 3.960 -0.022 0.000 0.299 732 G HA3 0.494 4.441 3.960 -0.022 0.000 0.299 732 G C -2.105 172.523 174.900 -0.453 0.000 1.274 732 G CA -0.587 44.152 45.100 -0.602 0.000 0.853 732 G HN 0.898 nan 8.290 nan 0.000 0.493 733 E N -1.323 118.860 120.200 -0.029 0.000 2.367 733 E HA 0.707 5.044 4.350 -0.022 0.000 0.273 733 E C -2.036 174.776 176.600 0.354 0.000 0.903 733 E CA -0.798 55.710 56.400 0.181 0.000 0.764 733 E CB 2.672 32.444 29.700 0.120 0.000 1.252 733 E HN 0.612 nan 8.360 nan 0.000 0.446 734 L N 3.420 124.878 121.223 0.393 0.000 2.526 734 L HA 0.434 4.761 4.340 -0.022 0.000 0.263 734 L C -2.217 174.906 176.870 0.422 0.000 0.943 734 L CA -0.493 54.589 54.840 0.403 0.000 0.859 734 L CB 1.614 43.898 42.059 0.375 0.000 1.313 734 L HN 0.629 nan 8.230 nan 0.000 0.406 735 Y N 5.640 126.105 120.300 0.275 0.000 2.377 735 Y HA 0.714 5.252 4.550 -0.021 0.000 0.339 735 Y C -1.022 175.013 175.900 0.224 0.000 1.011 735 Y CA -0.761 57.483 58.100 0.240 0.000 1.093 735 Y CB 1.575 40.144 38.460 0.181 0.000 1.201 735 Y HN 0.647 nan 8.280 nan 0.000 0.455 736 I N 6.383 126.721 120.570 -0.386 0.000 2.418 736 I HA 0.603 4.760 4.170 -0.022 0.000 0.287 736 I C 0.160 175.902 176.117 -0.625 0.000 1.008 736 I CA -0.585 60.478 61.300 -0.396 0.000 1.104 736 I CB 0.765 38.573 38.000 -0.320 0.000 1.264 736 I HN 0.862 nan 8.210 nan 0.000 0.438 737 G N 4.698 113.296 108.800 -0.337 0.000 2.614 737 G HA2 0.386 4.333 3.960 -0.022 0.000 0.239 737 G HA3 0.386 4.333 3.960 -0.022 0.000 0.239 737 G C 0.414 175.236 174.900 -0.129 0.000 1.240 737 G CA 0.104 45.145 45.100 -0.098 0.000 0.842 737 G HN 0.873 nan 8.290 nan 0.000 0.584 738 G N -1.125 107.671 108.800 -0.007 0.000 2.489 738 G HA2 0.492 4.439 3.960 -0.022 0.000 0.271 738 G HA3 0.492 4.439 3.960 -0.022 0.000 0.271 738 G C -0.184 174.672 174.900 -0.073 0.000 1.427 738 G CA -0.184 44.896 45.100 -0.032 0.000 1.057 738 G HN 0.749 nan 8.290 nan 0.000 0.532 739 Q N -1.345 118.412 119.800 -0.073 0.000 2.403 739 Q HA 0.232 4.559 4.340 -0.022 0.000 0.267 739 Q C -2.162 173.908 176.000 0.117 0.000 0.991 739 Q CA -0.644 55.131 55.803 -0.046 0.000 0.906 739 Q CB 2.337 30.799 28.738 -0.461 0.000 1.422 739 Q HN 0.589 nan 8.270 nan 0.000 0.400 740 D N -0.016 120.479 120.400 0.159 0.000 2.255 740 D HA 0.196 4.823 4.640 -0.022 0.000 0.249 740 D C 0.563 176.999 176.300 0.227 0.000 1.078 740 D CA 0.089 54.121 54.000 0.053 0.000 0.896 740 D CB 0.893 41.523 40.800 -0.283 0.000 1.194 740 D HN 0.563 nan 8.370 nan 0.000 0.429 741 H N 2.788 121.833 119.070 -0.041 0.000 2.387 741 H HA -0.008 4.534 4.556 -0.022 0.000 0.299 741 H C 0.484 175.641 175.328 -0.285 0.000 1.090 741 H CA 0.836 56.590 56.048 -0.490 0.000 1.332 741 H CB -0.194 29.113 29.762 -0.758 0.000 1.386 741 H HN 0.501 nan 8.280 nan 0.000 0.516 742 F N 0.963 120.695 119.950 -0.363 0.000 2.970 742 F HA -0.288 4.225 4.527 -0.023 0.000 0.251 742 F C -0.633 175.087 175.800 -0.133 0.000 0.993 742 F CA -0.513 57.352 58.000 -0.224 0.000 0.869 742 F CB -1.606 37.398 39.000 0.007 0.000 0.762 742 F HN 0.158 nan 8.300 nan 0.000 0.817 743 Y N -0.556 119.924 120.300 0.301 0.000 2.717 743 Y HA 0.088 4.624 4.550 -0.023 0.000 0.330 743 Y C 1.104 177.080 175.900 0.126 0.000 1.217 743 Y CA -1.156 57.155 58.100 0.351 0.000 1.506 743 Y CB 0.026 38.575 38.460 0.149 0.000 1.268 743 Y HN 0.103 nan 8.280 nan 0.000 0.561 744 L N 1.230 122.643 121.223 0.317 0.000 2.131 744 L HA -0.104 4.223 4.340 -0.022 0.000 0.210 744 L C 1.051 177.957 176.870 0.061 0.000 1.092 744 L CA 1.509 56.446 54.840 0.162 0.000 0.759 744 L CB -0.587 41.552 42.059 0.135 0.000 0.903 744 L HN 0.861 nan 8.230 nan 0.000 0.435 745 E N 0.437 120.663 120.200 0.042 0.000 2.134 745 E HA 0.185 4.522 4.350 -0.022 0.000 0.278 745 E C -0.103 176.477 176.600 -0.033 0.000 0.959 745 E CA -0.280 56.088 56.400 -0.053 0.000 0.783 745 E CB 1.177 30.787 29.700 -0.150 0.000 1.095 745 E HN 0.216 nan 8.360 nan 0.000 0.399 746 T N 1.217 115.765 114.554 -0.010 0.000 2.729 746 T HA 0.169 4.506 4.350 -0.022 0.000 0.298 746 T C 0.633 175.233 174.700 -0.166 0.000 1.013 746 T CA -0.597 61.508 62.100 0.009 0.000 0.957 746 T CB 0.401 69.324 68.868 0.092 0.000 1.130 746 T HN 0.436 nan 8.240 nan 0.000 0.526 747 H N -1.114 117.885 119.070 -0.118 0.000 2.897 747 H HA 0.342 4.885 4.556 -0.021 0.000 0.347 747 H C -0.270 175.033 175.328 -0.041 0.000 1.068 747 H CA 0.059 56.032 56.048 -0.124 0.000 1.426 747 H CB 0.617 30.334 29.762 -0.076 0.000 1.410 747 H HN 0.654 nan 8.280 nan 0.000 0.597 748 C N 3.098 122.442 119.300 0.074 0.000 2.752 748 C HA 0.338 4.785 4.460 -0.022 0.000 0.360 748 C C -0.565 174.472 174.990 0.080 0.000 1.081 748 C CA -0.248 58.814 59.018 0.073 0.000 1.272 748 C CB 0.824 28.592 27.740 0.046 0.000 1.754 748 C HN 0.870 nan 8.230 nan 0.000 0.483 749 T N 6.285 120.894 114.554 0.091 0.000 2.861 749 T HA 0.597 4.934 4.350 -0.022 0.000 0.287 749 T C -0.760 174.004 174.700 0.106 0.000 1.003 749 T CA -0.255 61.902 62.100 0.095 0.000 0.977 749 T CB 1.226 70.141 68.868 0.080 0.000 0.996 749 T HN 0.562 nan 8.240 nan 0.000 0.448 750 I N 2.378 123.037 120.570 0.149 0.000 2.339 750 I HA 0.638 4.795 4.170 -0.022 0.000 0.290 750 I C 0.099 176.335 176.117 0.198 0.000 0.994 750 I CA -0.934 60.465 61.300 0.166 0.000 1.191 750 I CB 1.416 39.531 38.000 0.193 0.000 1.343 750 I HN 0.660 nan 8.210 nan 0.000 0.458 751 A N 7.788 130.689 122.820 0.135 0.000 2.303 751 A HA 0.805 5.112 4.320 -0.022 0.000 0.320 751 A C -0.666 176.991 177.584 0.121 0.000 1.192 751 A CA -0.422 51.683 52.037 0.113 0.000 0.821 751 A CB 0.558 19.601 19.000 0.073 0.000 1.188 751 A HN 0.684 nan 8.150 nan 0.000 0.492 752 I N 4.810 125.458 120.570 0.129 0.000 2.359 752 I HA 0.328 4.485 4.170 -0.022 0.000 0.284 752 I C -2.282 173.856 176.117 0.034 0.000 1.018 752 I CA -1.990 59.371 61.300 0.102 0.000 1.173 752 I CB 2.137 40.256 38.000 0.197 0.000 1.326 752 I HN 0.395 nan 8.210 nan 0.000 0.462 753 P HA 0.215 nan 4.420 nan 0.000 0.286 753 P C -0.148 177.126 177.300 -0.043 0.000 1.269 753 P CA -0.560 62.537 63.100 -0.005 0.000 0.787 753 P CB 1.476 33.171 31.700 -0.009 0.000 0.920 754 K N 2.169 122.553 120.400 -0.028 0.000 2.186 754 K HA 0.125 4.432 4.320 -0.022 0.000 0.202 754 K C 1.546 178.115 176.600 -0.052 0.000 1.052 754 K CA 1.201 57.464 56.287 -0.040 0.000 0.965 754 K CB -0.794 31.694 32.500 -0.020 0.000 0.746 754 K HN 0.817 nan 8.250 nan 0.000 0.457 755 G N 0.832 109.606 108.800 -0.042 0.000 2.201 755 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.212 755 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.212 755 G C -0.239 174.641 174.900 -0.033 0.000 0.994 755 G CA -0.196 44.873 45.100 -0.052 0.000 0.644 755 G HN 0.305 nan 8.290 nan 0.000 0.508 756 E N 0.526 120.714 120.200 -0.020 0.000 2.199 756 E HA 0.502 4.839 4.350 -0.022 0.000 0.265 756 E C 0.185 176.784 176.600 -0.002 0.000 0.882 756 E CA -0.780 55.612 56.400 -0.013 0.000 0.759 756 E CB 1.049 30.741 29.700 -0.014 0.000 1.148 756 E HN 0.150 nan 8.360 nan 0.000 0.412 757 E N 1.417 121.619 120.200 0.004 0.000 2.883 757 E HA -0.289 4.048 4.350 -0.022 0.000 0.271 757 E C 0.736 177.346 176.600 0.017 0.000 1.049 757 E CA 1.210 57.615 56.400 0.009 0.000 0.817 757 E CB -1.470 28.231 29.700 0.001 0.000 1.407 757 E HN 1.124 nan 8.360 nan 0.000 0.434 758 G N -0.054 108.766 108.800 0.034 0.000 2.205 758 G HA2 -0.370 3.577 3.960 -0.022 0.000 0.261 758 G HA3 -0.370 3.577 3.960 -0.022 0.000 0.261 758 G C 0.161 175.081 174.900 0.034 0.000 0.980 758 G CA 0.569 45.699 45.100 0.049 0.000 0.632 758 G HN 0.378 nan 8.290 nan 0.000 0.533 759 E N -0.068 120.141 120.200 0.015 0.000 2.442 759 E HA 0.436 4.773 4.350 -0.022 0.000 0.262 759 E C 0.318 176.922 176.600 0.006 0.000 1.004 759 E CA 0.635 57.037 56.400 0.003 0.000 0.928 759 E CB 0.480 30.177 29.700 -0.005 0.000 0.937 759 E HN 0.469 nan 8.360 nan 0.000 0.446 760 M N 2.478 122.075 119.600 -0.004 0.000 2.365 760 M HA 0.198 4.665 4.480 -0.022 0.000 0.287 760 M C -1.760 174.521 176.300 -0.031 0.000 1.154 760 M CA -0.397 54.902 55.300 -0.002 0.000 0.941 760 M CB 2.013 34.622 32.600 0.015 0.000 1.704 760 M HN 0.442 nan 8.290 nan 0.000 0.479 761 E N 4.056 124.234 120.200 -0.036 0.000 2.158 761 E HA 0.635 4.972 4.350 -0.022 0.000 0.271 761 E C -2.039 174.469 176.600 -0.154 0.000 0.911 761 E CA -0.614 55.709 56.400 -0.128 0.000 0.767 761 E CB 1.441 31.065 29.700 -0.127 0.000 1.120 761 E HN 0.632 nan 8.360 nan 0.000 0.405 762 L N 4.378 125.452 121.223 -0.248 0.000 2.346 762 L HA 0.509 4.836 4.340 -0.022 0.000 0.274 762 L C -1.100 175.574 176.870 -0.327 0.000 1.007 762 L CA -0.490 54.259 54.840 -0.152 0.000 0.818 762 L CB 1.277 43.300 42.059 -0.059 0.000 1.284 762 L HN 0.523 nan 8.230 nan 0.000 0.424 763 F N 2.889 122.846 119.950 0.012 0.000 2.449 763 F HA 0.729 5.242 4.527 -0.023 0.000 0.342 763 F C -0.083 175.718 175.800 0.002 0.000 1.127 763 F CA -0.917 57.086 58.000 0.004 0.000 0.975 763 F CB 1.957 40.961 39.000 0.007 0.000 1.146 763 F HN 0.167 nan 8.300 nan 0.000 0.444 764 V N 1.866 121.852 119.914 0.120 0.000 2.932 764 V HA 0.555 4.662 4.120 -0.022 0.000 0.307 764 V C -0.912 175.194 176.094 0.021 0.000 1.147 764 V CA -0.497 61.840 62.300 0.062 0.000 0.951 764 V CB 2.251 34.094 31.823 0.034 0.000 1.031 764 V HN 0.636 nan 8.190 nan 0.000 0.426 765 S N 4.251 119.947 115.700 -0.007 0.000 3.036 765 S HA 0.540 4.996 4.470 -0.022 0.000 0.301 765 S C -0.167 174.358 174.600 -0.125 0.000 1.205 765 S CA 0.456 58.609 58.200 -0.079 0.000 0.999 765 S CB -0.774 62.349 63.200 -0.129 0.000 1.337 765 S HN 1.248 nan 8.310 nan 0.000 0.515 766 T N 3.115 117.612 114.554 -0.095 0.000 2.900 766 T HA 0.365 4.702 4.350 -0.022 0.000 0.303 766 T C 0.272 174.918 174.700 -0.090 0.000 1.142 766 T CA -0.522 61.524 62.100 -0.090 0.000 1.007 766 T CB 1.730 70.570 68.868 -0.047 0.000 1.156 766 T HN 0.518 nan 8.240 nan 0.000 0.490 767 Q N 1.546 121.297 119.800 -0.081 0.000 2.360 767 Q HA 0.251 4.578 4.340 -0.022 0.000 0.202 767 Q C 0.030 176.015 176.000 -0.024 0.000 0.915 767 Q CA 0.050 55.820 55.803 -0.055 0.000 0.943 767 Q CB 0.343 29.055 28.738 -0.043 0.000 1.064 767 Q HN 0.347 nan 8.270 nan 0.000 0.511 768 N N -0.213 118.463 118.700 -0.040 0.000 2.750 768 N HA 0.268 4.995 4.740 -0.022 0.000 0.253 768 N C -0.420 175.040 175.510 -0.083 0.000 1.408 768 N CA -0.059 52.960 53.050 -0.051 0.000 0.780 768 N CB 1.023 39.474 38.487 -0.061 0.000 1.191 768 N HN 0.079 nan 8.380 nan 0.000 0.511 769 A N 2.875 125.652 122.820 -0.072 0.000 1.968 769 A HA -0.097 4.210 4.320 -0.022 0.000 0.217 769 A C 2.096 179.624 177.584 -0.093 0.000 1.169 769 A CA 0.864 52.853 52.037 -0.080 0.000 0.638 769 A CB -0.332 18.623 19.000 -0.075 0.000 0.812 769 A HN 0.679 nan 8.150 nan 0.000 0.446 770 M N -0.809 118.739 119.600 -0.087 0.000 2.080 770 M HA -0.170 4.297 4.480 -0.022 0.000 0.260 770 M C 1.573 177.776 176.300 -0.161 0.000 1.068 770 M CA 1.922 57.165 55.300 -0.096 0.000 1.109 770 M CB -0.186 32.376 32.600 -0.064 0.000 1.342 770 M HN 0.129 nan 8.290 nan 0.000 0.405 771 K N -0.228 120.020 120.400 -0.253 0.000 2.228 771 K HA 0.016 4.323 4.320 -0.022 0.000 0.202 771 K C 1.869 178.160 176.600 -0.515 0.000 1.051 771 K CA 1.510 57.486 56.287 -0.519 0.000 0.960 771 K CB -0.486 31.584 32.500 -0.716 0.000 0.743 771 K HN 0.450 nan 8.250 nan 0.000 0.458 772 T N 1.795 116.187 114.554 -0.270 0.000 2.652 772 T HA -0.211 4.126 4.350 -0.022 0.000 0.267 772 T C 1.915 176.570 174.700 -0.074 0.000 1.039 772 T CA 1.436 63.457 62.100 -0.131 0.000 1.153 772 T CB -0.111 68.708 68.868 -0.081 0.000 0.863 772 T HN 0.337 nan 8.240 nan 0.000 0.428 773 Q N 0.472 120.220 119.800 -0.086 0.000 2.061 773 Q HA -0.137 4.189 4.340 -0.022 0.000 0.204 773 Q C 2.547 178.532 176.000 -0.024 0.000 0.984 773 Q CA 1.659 57.429 55.803 -0.054 0.000 0.846 773 Q CB -0.220 28.482 28.738 -0.061 0.000 0.902 773 Q HN 0.392 nan 8.270 nan 0.000 0.421 774 S N -0.115 115.563 115.700 -0.037 0.000 2.356 774 S HA -0.094 4.363 4.470 -0.022 0.000 0.223 774 S C 1.534 176.252 174.600 0.196 0.000 1.032 774 S CA 0.947 59.172 58.200 0.042 0.000 1.005 774 S CB -0.258 62.951 63.200 0.015 0.000 0.867 774 S HN 0.362 nan 8.310 nan 0.000 0.449 775 F N 1.226 121.143 119.950 -0.055 0.000 2.146 775 F HA -0.009 4.505 4.527 -0.021 0.000 0.298 775 F C 2.375 178.131 175.800 -0.072 0.000 1.096 775 F CA -0.008 57.954 58.000 -0.063 0.000 1.275 775 F CB -1.279 37.684 39.000 -0.061 0.000 1.008 775 F HN 0.018 nan 8.300 nan 0.000 0.480 776 V N -0.099 119.889 119.914 0.124 0.000 2.307 776 V HA -0.257 3.850 4.120 -0.022 0.000 0.245 776 V C 2.629 178.719 176.094 -0.006 0.000 1.045 776 V CA 1.638 63.956 62.300 0.030 0.000 1.024 776 V CB -1.294 30.538 31.823 0.014 0.000 0.651 776 V HN 0.305 nan 8.190 nan 0.000 0.449 777 A N -0.127 122.696 122.820 0.005 0.000 1.908 777 A HA -0.295 4.012 4.320 -0.022 0.000 0.218 777 A C 2.322 179.889 177.584 -0.029 0.000 1.181 777 A CA 2.339 54.366 52.037 -0.016 0.000 0.627 777 A CB -0.528 18.468 19.000 -0.007 0.000 0.818 777 A HN 0.540 nan 8.150 nan 0.000 0.445 778 K N -0.414 119.983 120.400 -0.005 0.000 2.032 778 K HA -0.236 4.071 4.320 -0.022 0.000 0.209 778 K C 2.146 178.699 176.600 -0.079 0.000 1.048 778 K CA 2.122 58.388 56.287 -0.036 0.000 0.927 778 K CB -0.324 32.159 32.500 -0.029 0.000 0.712 778 K HN 0.580 nan 8.250 nan 0.000 0.441 779 M N -0.041 119.504 119.600 -0.091 0.000 2.159 779 M HA -0.082 4.385 4.480 -0.022 0.000 0.263 779 M C 1.499 177.705 176.300 -0.157 0.000 1.063 779 M CA 1.704 56.927 55.300 -0.129 0.000 1.110 779 M CB -0.323 32.194 32.600 -0.139 0.000 1.374 779 M HN 0.084 nan 8.290 nan 0.000 0.411 780 L N 0.207 121.330 121.223 -0.167 0.000 2.418 780 L HA 0.258 4.585 4.340 -0.022 0.000 0.218 780 L C 1.255 178.003 176.870 -0.204 0.000 1.125 780 L CA 0.559 55.244 54.840 -0.258 0.000 0.835 780 L CB -0.732 41.203 42.059 -0.207 0.000 0.953 780 L HN 0.788 nan 8.230 nan 0.000 0.454 781 G N 0.968 109.694 108.800 -0.125 0.000 2.256 781 G HA2 -0.211 3.736 3.960 -0.022 0.000 0.272 781 G HA3 -0.211 3.736 3.960 -0.022 0.000 0.272 781 G C -0.260 174.602 174.900 -0.064 0.000 1.076 781 G CA 0.198 45.245 45.100 -0.087 0.000 0.882 781 G HN 0.133 nan 8.290 nan 0.000 0.497 782 V N -0.442 119.438 119.914 -0.056 0.000 3.040 782 V HA 0.662 4.769 4.120 -0.022 0.000 0.312 782 V C -1.919 174.159 176.094 -0.027 0.000 1.115 782 V CA -1.865 60.414 62.300 -0.035 0.000 0.998 782 V CB 2.271 34.075 31.823 -0.031 0.000 1.042 782 V HN 0.134 nan 8.190 nan 0.000 0.433 783 P HA 0.160 nan 4.420 nan 0.000 0.269 783 P C 0.940 178.229 177.300 -0.018 0.000 1.215 783 P CA -0.048 63.041 63.100 -0.018 0.000 0.780 783 P CB 0.646 32.337 31.700 -0.016 0.000 0.898 784 V N 1.711 121.614 119.914 -0.018 0.000 2.332 784 V HA -0.283 3.823 4.120 -0.022 0.000 0.248 784 V C 2.102 178.183 176.094 -0.022 0.000 1.055 784 V CA 2.427 64.716 62.300 -0.019 0.000 1.038 784 V CB -1.355 30.456 31.823 -0.020 0.000 0.651 784 V HN 0.714 nan 8.190 nan 0.000 0.450 785 N N 0.906 119.593 118.700 -0.020 0.000 2.430 785 N HA -0.230 4.497 4.740 -0.022 0.000 0.186 785 N C 1.573 177.072 175.510 -0.019 0.000 1.032 785 N CA 1.225 54.263 53.050 -0.020 0.000 0.893 785 N CB -0.513 37.964 38.487 -0.017 0.000 0.957 785 N HN 0.329 nan 8.380 nan 0.000 0.442 786 R N -0.018 120.472 120.500 -0.018 0.000 2.189 786 R HA 0.154 4.481 4.340 -0.022 0.000 0.218 786 R C 0.130 176.417 176.300 -0.022 0.000 1.074 786 R CA 0.194 56.284 56.100 -0.016 0.000 0.991 786 R CB -0.163 30.130 30.300 -0.011 0.000 0.883 786 R HN 0.317 nan 8.270 nan 0.000 0.457 787 I N 2.096 122.649 120.570 -0.028 0.000 2.330 787 I HA 0.212 4.369 4.170 -0.022 0.000 0.289 787 I C -0.336 175.748 176.117 -0.054 0.000 1.001 787 I CA -1.588 59.690 61.300 -0.037 0.000 1.193 787 I CB 1.153 39.135 38.000 -0.031 0.000 1.345 787 I HN -0.139 nan 8.210 nan 0.000 0.461 788 L N 8.745 129.923 121.223 -0.076 0.000 2.287 788 L HA 0.584 4.910 4.340 -0.022 0.000 0.287 788 L C -0.707 176.071 176.870 -0.153 0.000 1.022 788 L CA -0.266 54.510 54.840 -0.106 0.000 0.814 788 L CB 1.589 43.579 42.059 -0.115 0.000 1.217 788 L HN 0.282 nan 8.230 nan 0.000 0.420 789 V N 5.939 125.768 119.914 -0.141 0.000 2.417 789 V HA 0.619 4.726 4.120 -0.022 0.000 0.291 789 V C -0.082 175.909 176.094 -0.171 0.000 1.024 789 V CA -0.638 61.567 62.300 -0.158 0.000 0.861 789 V CB 1.604 33.364 31.823 -0.104 0.000 0.985 789 V HN 0.717 nan 8.190 nan 0.000 0.436 790 R N 3.176 123.540 120.500 -0.227 0.000 2.534 790 R HA 0.793 5.120 4.340 -0.022 0.000 0.301 790 R C -1.622 174.639 176.300 -0.065 0.000 0.961 790 R CA -0.672 55.322 56.100 -0.176 0.000 0.871 790 R CB 2.460 32.580 30.300 -0.300 0.000 1.170 790 R HN 0.499 nan 8.270 nan 0.000 0.446 791 V N 3.847 123.739 119.914 -0.036 0.000 2.419 791 V HA 0.110 4.217 4.120 -0.022 0.000 0.287 791 V C 0.465 176.558 176.094 -0.002 0.000 1.017 791 V CA -0.662 61.631 62.300 -0.012 0.000 0.844 791 V CB 1.390 33.187 31.823 -0.044 0.000 1.011 791 V HN 0.722 nan 8.190 nan 0.000 0.429 792 K N 5.408 125.822 120.400 0.023 0.000 2.044 792 K HA 0.187 4.494 4.320 -0.022 0.000 0.204 792 K C 0.718 177.313 176.600 -0.009 0.000 1.045 792 K CA 1.225 57.517 56.287 0.009 0.000 0.951 792 K CB 0.301 32.809 32.500 0.012 0.000 0.738 792 K HN 0.754 nan 8.250 nan 0.000 0.443 793 R N -1.164 119.309 120.500 -0.045 0.000 2.690 793 R HA 0.404 4.731 4.340 -0.022 0.000 0.269 793 R C -1.360 174.933 176.300 -0.012 0.000 1.037 793 R CA -0.826 55.236 56.100 -0.063 0.000 0.877 793 R CB 0.747 30.960 30.300 -0.144 0.000 1.255 793 R HN 0.003 nan 8.270 nan 0.000 0.467 794 M N 0.934 120.533 119.600 -0.001 0.000 2.436 794 M HA 0.391 4.858 4.480 -0.022 0.000 0.331 794 M C 0.639 177.020 176.300 0.134 0.000 1.135 794 M CA -0.695 54.619 55.300 0.024 0.000 0.987 794 M CB 2.311 34.834 32.600 -0.129 0.000 1.687 794 M HN 0.932 nan 8.290 nan 0.000 0.445 795 G N 1.828 110.729 108.800 0.168 0.000 3.197 795 G HA2 0.480 4.427 3.960 -0.022 0.000 0.257 795 G HA3 0.480 4.427 3.960 -0.022 0.000 0.257 795 G C 0.378 175.275 174.900 -0.005 0.000 0.835 795 G CA 0.282 45.405 45.100 0.039 0.000 2.001 795 G HN 1.104 nan 8.290 nan 0.000 0.625 796 G N -1.309 107.429 108.800 -0.103 0.000 2.697 796 G HA2 0.372 4.319 3.960 -0.022 0.000 0.686 796 G HA3 0.372 4.319 3.960 -0.022 0.000 0.686 796 G C 0.489 175.141 174.900 -0.413 0.000 1.179 796 G CA -0.333 44.562 45.100 -0.340 0.000 0.765 796 G HN 1.161 nan 8.290 nan 0.000 0.649 797 G N -0.704 107.672 108.800 -0.707 0.000 2.645 797 G HA2 0.556 4.503 3.960 -0.022 0.000 0.208 797 G HA3 0.556 4.503 3.960 -0.022 0.000 0.208 797 G C 0.823 175.625 174.900 -0.164 0.000 1.264 797 G CA 0.846 45.725 45.100 -0.369 0.000 0.586 797 G HN 1.723 nan 8.290 nan 0.000 0.952 798 F N 0.666 120.633 119.950 0.028 0.000 2.988 798 F HA -0.202 4.311 4.527 -0.023 0.000 0.287 798 F C 1.953 177.766 175.800 0.022 0.000 0.781 798 F CA 0.831 58.839 58.000 0.013 0.000 1.221 798 F CB -1.437 37.515 39.000 -0.080 0.000 1.392 798 F HN 1.141 nan 8.300 nan 0.000 0.425 799 G N -0.756 108.112 108.800 0.114 0.000 2.253 799 G HA2 -0.266 3.681 3.960 -0.022 0.000 0.251 799 G HA3 -0.266 3.681 3.960 -0.022 0.000 0.251 799 G C 1.176 176.088 174.900 0.020 0.000 0.998 799 G CA 0.333 45.524 45.100 0.152 0.000 0.621 799 G HN 1.275 nan 8.290 nan 0.000 0.524 800 G N -0.094 108.477 108.800 -0.381 0.000 2.598 800 G HA2 0.165 4.112 3.960 -0.022 0.000 0.215 800 G HA3 0.165 4.112 3.960 -0.022 0.000 0.215 800 G C 1.246 176.079 174.900 -0.110 0.000 1.131 800 G CA 1.336 46.000 45.100 -0.727 0.000 0.785 800 G HN 0.533 nan 8.290 nan 0.000 0.539 801 K N -0.198 120.122 120.400 -0.134 0.000 2.399 801 K HA 0.186 4.493 4.320 -0.022 0.000 0.204 801 K C 1.609 178.199 176.600 -0.016 0.000 1.023 801 K CA -0.074 56.158 56.287 -0.091 0.000 1.127 801 K CB 0.600 32.913 32.500 -0.313 0.000 0.856 801 K HN 0.374 nan 8.250 nan 0.000 0.514 802 E N 0.661 120.879 120.200 0.031 0.000 2.076 802 E HA -0.128 4.209 4.350 -0.022 0.000 0.190 802 E C 1.325 177.961 176.600 0.060 0.000 0.979 802 E CA 1.784 58.221 56.400 0.062 0.000 0.807 802 E CB 0.405 30.183 29.700 0.130 0.000 0.761 802 E HN 0.268 nan 8.360 nan 0.000 0.454 803 T N -2.594 112.016 114.554 0.093 0.000 3.115 803 T HA 0.202 4.539 4.350 -0.022 0.000 0.256 803 T C 1.656 176.410 174.700 0.090 0.000 0.970 803 T CA -0.550 61.598 62.100 0.080 0.000 1.010 803 T CB -0.068 68.875 68.868 0.126 0.000 1.151 803 T HN -0.075 nan 8.240 nan 0.000 0.479 804 R N 2.643 123.206 120.500 0.106 0.000 2.307 804 R HA 0.179 4.506 4.340 -0.022 0.000 0.199 804 R C 2.572 178.826 176.300 -0.075 0.000 1.000 804 R CA 0.991 57.117 56.100 0.044 0.000 1.023 804 R CB -1.008 29.319 30.300 0.045 0.000 0.908 804 R HN 0.727 nan 8.270 nan 0.000 0.473 805 S N 0.592 116.328 115.700 0.059 0.000 2.419 805 S HA -0.179 4.278 4.470 -0.022 0.000 0.235 805 S C 2.024 176.640 174.600 0.027 0.000 1.019 805 S CA 1.712 59.976 58.200 0.107 0.000 0.982 805 S CB -0.698 62.629 63.200 0.211 0.000 0.789 805 S HN 0.473 nan 8.310 nan 0.000 0.490 806 T N 1.162 115.742 114.554 0.043 0.000 2.929 806 T HA 0.083 4.420 4.350 -0.022 0.000 0.271 806 T C 1.743 176.469 174.700 0.043 0.000 1.085 806 T CA 0.993 63.142 62.100 0.082 0.000 1.125 806 T CB -0.880 68.130 68.868 0.237 0.000 0.874 806 T HN 0.455 nan 8.240 nan 0.000 0.494 807 L N 0.473 121.696 121.223 -0.001 0.000 2.079 807 L HA -0.043 4.283 4.340 -0.022 0.000 0.210 807 L C 2.839 179.691 176.870 -0.029 0.000 1.081 807 L CA 0.910 55.733 54.840 -0.028 0.000 0.752 807 L CB -0.750 41.289 42.059 -0.034 0.000 0.896 807 L HN 0.219 nan 8.230 nan 0.000 0.433 808 V N -1.287 118.611 119.914 -0.027 0.000 2.331 808 V HA -0.150 3.957 4.120 -0.022 0.000 0.242 808 V C 2.539 178.650 176.094 0.029 0.000 1.034 808 V CA 1.590 63.900 62.300 0.017 0.000 1.027 808 V CB 0.038 31.884 31.823 0.039 0.000 0.667 808 V HN 0.299 nan 8.190 nan 0.000 0.457 809 S N 0.330 116.049 115.700 0.031 0.000 2.359 809 S HA -0.192 4.265 4.470 -0.022 0.000 0.224 809 S C 2.016 176.628 174.600 0.020 0.000 1.035 809 S CA 1.706 59.927 58.200 0.035 0.000 1.018 809 S CB -0.279 62.941 63.200 0.034 0.000 0.876 809 S HN 0.365 nan 8.310 nan 0.000 0.448 810 V N 1.856 121.769 119.914 -0.002 0.000 2.358 810 V HA -0.169 3.938 4.120 -0.022 0.000 0.246 810 V C 2.622 178.665 176.094 -0.085 0.000 1.047 810 V CA 1.622 63.893 62.300 -0.047 0.000 1.035 810 V CB -1.236 30.539 31.823 -0.081 0.000 0.658 810 V HN 0.540 nan 8.190 nan 0.000 0.452 811 A N -0.197 122.569 122.820 -0.089 0.000 1.902 811 A HA -0.149 4.158 4.320 -0.022 0.000 0.217 811 A C 2.378 180.015 177.584 0.088 0.000 1.181 811 A CA 2.091 54.122 52.037 -0.009 0.000 0.623 811 A CB -0.625 18.424 19.000 0.081 0.000 0.818 811 A HN 0.342 nan 8.150 nan 0.000 0.443 812 V N -0.302 119.652 119.914 0.066 0.000 2.379 812 V HA -0.170 3.937 4.120 -0.022 0.000 0.245 812 V C 3.033 179.167 176.094 0.067 0.000 1.044 812 V CA 1.673 64.016 62.300 0.071 0.000 1.036 812 V CB -1.144 30.719 31.823 0.066 0.000 0.664 812 V HN 0.606 nan 8.190 nan 0.000 0.453 813 A N 0.109 122.961 122.820 0.053 0.000 1.908 813 A HA -0.223 4.084 4.320 -0.022 0.000 0.218 813 A C 2.174 179.811 177.584 0.089 0.000 1.181 813 A CA 2.222 54.292 52.037 0.056 0.000 0.627 813 A CB -0.590 18.426 19.000 0.026 0.000 0.818 813 A HN 0.464 nan 8.150 nan 0.000 0.445 814 L N -0.215 121.055 121.223 0.078 0.000 2.017 814 L HA -0.055 4.272 4.340 -0.022 0.000 0.208 814 L C 2.668 179.648 176.870 0.183 0.000 1.073 814 L CA 2.354 57.274 54.840 0.134 0.000 0.745 814 L CB -0.900 41.233 42.059 0.123 0.000 0.894 814 L HN 0.336 nan 8.230 nan 0.000 0.432 815 A N -0.236 122.663 122.820 0.131 0.000 1.917 815 A HA -0.190 4.117 4.320 -0.022 0.000 0.219 815 A C 2.485 180.115 177.584 0.077 0.000 1.182 815 A CA 2.247 54.336 52.037 0.085 0.000 0.633 815 A CB -1.361 17.673 19.000 0.057 0.000 0.819 815 A HN 0.646 nan 8.150 nan 0.000 0.448 816 A N -1.244 121.627 122.820 0.086 0.000 1.883 816 A HA -0.179 4.128 4.320 -0.022 0.000 0.217 816 A C 2.174 179.807 177.584 0.082 0.000 1.186 816 A CA 1.871 53.953 52.037 0.075 0.000 0.624 816 A CB -0.996 18.049 19.000 0.075 0.000 0.822 816 A HN 0.883 nan 8.150 nan 0.000 0.444 817 Y N 0.366 120.672 120.300 0.009 0.000 2.128 817 Y HA -0.220 4.317 4.550 -0.022 0.000 0.284 817 Y C 2.357 178.260 175.900 0.006 0.000 1.154 817 Y CA 2.499 60.601 58.100 0.003 0.000 1.149 817 Y CB -0.109 38.353 38.460 0.004 0.000 0.976 817 Y HN 0.170 nan 8.280 nan 0.000 0.505 818 K N 0.032 120.395 120.400 -0.062 0.000 2.062 818 K HA -0.104 4.202 4.320 -0.022 0.000 0.205 818 K C 2.040 178.560 176.600 -0.134 0.000 1.051 818 K CA 1.996 58.197 56.287 -0.143 0.000 0.941 818 K CB -0.727 31.802 32.500 0.049 0.000 0.719 818 K HN 0.605 nan 8.250 nan 0.000 0.440 819 T N -3.470 111.058 114.554 -0.044 0.000 3.054 819 T HA 0.126 4.463 4.350 -0.022 0.000 0.259 819 T C 1.402 176.127 174.700 0.041 0.000 1.092 819 T CA 0.881 63.005 62.100 0.040 0.000 1.121 819 T CB -0.121 68.808 68.868 0.102 0.000 0.912 819 T HN 0.305 nan 8.240 nan 0.000 0.489 820 G N 1.247 110.009 108.800 -0.063 0.000 2.168 820 G HA2 -0.248 3.699 3.960 -0.022 0.000 0.257 820 G HA3 -0.248 3.699 3.960 -0.022 0.000 0.257 820 G C -0.135 174.645 174.900 -0.200 0.000 0.997 820 G CA 0.537 45.555 45.100 -0.137 0.000 0.708 820 G HN 0.786 nan 8.290 nan 0.000 0.520 821 H N 0.152 119.175 119.070 -0.078 0.000 2.533 821 H HA 0.530 5.072 4.556 -0.022 0.000 0.343 821 H C -2.259 173.029 175.328 -0.067 0.000 1.160 821 H CA -1.866 54.135 56.048 -0.078 0.000 1.218 821 H CB 1.326 31.049 29.762 -0.065 0.000 1.566 821 H HN 0.033 nan 8.280 nan 0.000 0.522 822 P HA -0.026 nan 4.420 nan 0.000 0.264 822 P C -0.946 176.360 177.300 0.009 0.000 1.183 822 P CA 0.338 63.470 63.100 0.053 0.000 0.763 822 P CB 0.529 32.308 31.700 0.132 0.000 0.807 823 V N 4.240 124.149 119.914 -0.009 0.000 2.760 823 V HA 0.533 4.640 4.120 -0.022 0.000 0.309 823 V C 0.163 176.218 176.094 -0.065 0.000 1.077 823 V CA -0.644 61.610 62.300 -0.078 0.000 0.910 823 V CB 2.074 33.887 31.823 -0.018 0.000 1.008 823 V HN 0.556 nan 8.190 nan 0.000 0.424 824 R N 2.468 122.877 120.500 -0.152 0.000 2.854 824 R HA 0.928 5.255 4.340 -0.022 0.000 0.271 824 R C -1.169 175.171 176.300 0.066 0.000 0.996 824 R CA -0.604 55.476 56.100 -0.034 0.000 0.961 824 R CB 1.899 32.172 30.300 -0.045 0.000 1.182 824 R HN 0.674 nan 8.270 nan 0.000 0.479 825 C N 3.231 122.599 119.300 0.113 0.000 2.551 825 C HA 0.582 5.029 4.460 -0.022 0.000 0.332 825 C C -0.815 174.255 174.990 0.135 0.000 1.139 825 C CA -0.699 58.410 59.018 0.152 0.000 1.328 825 C CB 1.297 29.114 27.740 0.129 0.000 1.903 825 C HN 1.017 nan 8.230 nan 0.000 0.459 826 M N 7.013 126.697 119.600 0.139 0.000 2.167 826 M HA 0.529 4.996 4.480 -0.022 0.000 0.333 826 M C -1.098 175.263 176.300 0.102 0.000 1.030 826 M CA -0.534 54.830 55.300 0.107 0.000 0.963 826 M CB 0.986 33.639 32.600 0.088 0.000 1.589 826 M HN 0.710 nan 8.290 nan 0.000 0.431 827 L N 4.040 125.326 121.223 0.106 0.000 2.453 827 L HA 0.126 4.453 4.340 -0.022 0.000 0.272 827 L C 0.340 177.255 176.870 0.076 0.000 1.182 827 L CA -0.185 54.715 54.840 0.100 0.000 0.858 827 L CB 0.064 42.197 42.059 0.124 0.000 1.120 827 L HN 0.656 nan 8.230 nan 0.000 0.474 828 D N 1.292 121.730 120.400 0.064 0.000 2.357 828 D HA 0.009 4.636 4.640 -0.022 0.000 0.242 828 D C 0.991 177.311 176.300 0.035 0.000 1.153 828 D CA -0.150 53.875 54.000 0.042 0.000 0.918 828 D CB 1.028 41.853 40.800 0.041 0.000 1.181 828 D HN 0.354 nan 8.370 nan 0.000 0.435 829 R N 1.573 122.076 120.500 0.005 0.000 2.091 829 R HA -0.180 4.147 4.340 -0.022 0.000 0.238 829 R C 1.744 178.039 176.300 -0.009 0.000 1.136 829 R CA 1.733 57.809 56.100 -0.040 0.000 0.959 829 R CB -0.142 30.118 30.300 -0.067 0.000 0.856 829 R HN 0.523 nan 8.270 nan 0.000 0.437 830 N N 0.409 119.122 118.700 0.022 0.000 2.188 830 N HA -0.188 4.539 4.740 -0.022 0.000 0.184 830 N C 1.129 176.663 175.510 0.040 0.000 1.018 830 N CA 1.803 54.872 53.050 0.032 0.000 0.858 830 N CB -0.368 38.143 38.487 0.041 0.000 0.989 830 N HN 0.458 nan 8.380 nan 0.000 0.426 831 E N 0.510 120.743 120.200 0.054 0.000 2.031 831 E HA -0.171 4.166 4.350 -0.022 0.000 0.193 831 E C 1.469 178.113 176.600 0.074 0.000 0.994 831 E CA 1.041 57.483 56.400 0.070 0.000 0.800 831 E CB -0.179 29.570 29.700 0.082 0.000 0.752 831 E HN 0.402 nan 8.360 nan 0.000 0.447 832 D N 0.659 121.109 120.400 0.083 0.000 2.116 832 D HA -0.191 4.436 4.640 -0.022 0.000 0.193 832 D C 2.003 178.363 176.300 0.100 0.000 0.998 832 D CA 1.310 55.387 54.000 0.128 0.000 0.836 832 D CB 0.035 40.941 40.800 0.175 0.000 0.951 832 D HN 0.159 nan 8.370 nan 0.000 0.449 833 M N -0.286 119.334 119.600 0.034 0.000 2.200 833 M HA -0.137 4.330 4.480 -0.022 0.000 0.265 833 M C 2.328 178.635 176.300 0.011 0.000 1.066 833 M CA 0.500 55.797 55.300 -0.005 0.000 1.127 833 M CB -0.083 32.481 32.600 -0.061 0.000 1.379 833 M HN 0.046 nan 8.290 nan 0.000 0.420 834 L N 0.711 121.949 121.223 0.025 0.000 2.017 834 L HA -0.136 4.191 4.340 -0.022 0.000 0.208 834 L C 2.032 178.946 176.870 0.073 0.000 1.073 834 L CA 1.936 56.800 54.840 0.039 0.000 0.745 834 L CB -0.260 41.827 42.059 0.046 0.000 0.894 834 L HN 0.201 nan 8.230 nan 0.000 0.432 835 I N -1.501 119.118 120.570 0.081 0.000 2.585 835 I HA -0.115 4.041 4.170 -0.022 0.000 0.254 835 I C 1.804 177.969 176.117 0.080 0.000 1.129 835 I CA 1.277 62.628 61.300 0.086 0.000 1.455 835 I CB -0.374 37.672 38.000 0.077 0.000 1.111 835 I HN 0.409 nan 8.210 nan 0.000 0.433 836 T N -1.644 112.963 114.554 0.089 0.000 3.069 836 T HA 0.461 4.798 4.350 -0.022 0.000 0.252 836 T C 0.938 175.737 174.700 0.165 0.000 1.053 836 T CA 0.177 62.326 62.100 0.082 0.000 0.964 836 T CB -0.034 68.868 68.868 0.056 0.000 1.005 836 T HN 0.480 nan 8.240 nan 0.000 0.532 837 G N -0.469 108.428 108.800 0.162 0.000 2.860 837 G HA2 0.335 4.282 3.960 -0.022 0.000 0.553 837 G HA3 0.335 4.282 3.960 -0.022 0.000 0.553 837 G C -0.041 175.014 174.900 0.259 0.000 1.439 837 G CA -0.523 44.680 45.100 0.171 0.000 0.879 837 G HN 1.242 nan 8.290 nan 0.000 0.545 838 G N -1.035 107.875 108.800 0.183 0.000 2.947 838 G HA2 0.781 4.728 3.960 -0.022 0.000 0.293 838 G HA3 0.781 4.728 3.960 -0.022 0.000 0.293 838 G C -0.101 174.889 174.900 0.149 0.000 1.243 838 G CA 0.109 45.295 45.100 0.143 0.000 0.802 838 G HN 1.013 nan 8.290 nan 0.000 0.560 839 R N 0.080 120.676 120.500 0.161 0.000 2.643 839 R HA 0.175 4.502 4.340 -0.022 0.000 0.270 839 R C -0.213 176.121 176.300 0.056 0.000 1.061 839 R CA -0.297 55.871 56.100 0.113 0.000 1.107 839 R CB 0.047 30.207 30.300 -0.233 0.000 0.999 839 R HN 0.601 nan 8.270 nan 0.000 0.460 840 H N 4.586 123.732 119.070 0.127 0.000 2.848 840 H HA 0.088 4.631 4.556 -0.022 0.000 0.317 840 H C -1.929 173.510 175.328 0.185 0.000 1.046 840 H CA -1.581 54.576 56.048 0.182 0.000 1.470 840 H CB 0.684 30.609 29.762 0.272 0.000 1.483 840 H HN 0.449 nan 8.280 nan 0.000 0.548 841 P HA 0.020 nan 4.420 nan 0.000 0.267 841 P C -0.610 176.811 177.300 0.202 0.000 1.205 841 P CA 0.575 63.710 63.100 0.059 0.000 0.765 841 P CB 0.154 31.887 31.700 0.056 0.000 0.828 842 F N 2.605 122.451 119.950 -0.173 0.000 2.469 842 F HA 0.421 4.936 4.527 -0.021 0.000 0.332 842 F C 0.304 176.097 175.800 -0.013 0.000 1.103 842 F CA -1.173 56.823 58.000 -0.006 0.000 0.979 842 F CB 1.520 40.563 39.000 0.072 0.000 1.137 842 F HN 0.105 nan 8.300 nan 0.000 0.463 843 L N 4.064 125.469 121.223 0.305 0.000 2.287 843 L HA 0.758 5.085 4.340 -0.022 0.000 0.287 843 L C -0.622 176.498 176.870 0.417 0.000 1.022 843 L CA -0.197 54.872 54.840 0.381 0.000 0.814 843 L CB 0.969 43.230 42.059 0.337 0.000 1.217 843 L HN 0.611 nan 8.230 nan 0.000 0.420 844 A N 5.504 128.553 122.820 0.383 0.000 2.330 844 A HA 0.838 5.145 4.320 -0.022 0.000 0.327 844 A C -0.516 177.268 177.584 0.332 0.000 1.155 844 A CA -0.708 51.525 52.037 0.326 0.000 0.803 844 A CB 0.754 19.914 19.000 0.267 0.000 1.208 844 A HN 0.761 nan 8.150 nan 0.000 0.477 845 R N 1.012 121.679 120.500 0.278 0.000 2.387 845 R HA 0.562 4.889 4.340 -0.022 0.000 0.314 845 R C -1.262 175.158 176.300 0.200 0.000 0.958 845 R CA -0.291 55.924 56.100 0.191 0.000 0.846 845 R CB 1.312 31.694 30.300 0.136 0.000 1.147 845 R HN 0.805 nan 8.270 nan 0.000 0.447 846 Y N -0.870 119.475 120.300 0.074 0.000 2.602 846 Y HA 0.701 5.238 4.550 -0.021 0.000 0.342 846 Y C -0.876 175.039 175.900 0.025 0.000 1.029 846 Y CA -1.328 56.805 58.100 0.054 0.000 1.080 846 Y CB 1.966 40.493 38.460 0.112 0.000 1.284 846 Y HN 0.217 nan 8.280 nan 0.000 0.485 847 K N 2.243 122.716 120.400 0.123 0.000 2.588 847 K HA 0.581 4.888 4.320 -0.022 0.000 0.250 847 K C -2.338 174.371 176.600 0.182 0.000 0.972 847 K CA -0.575 55.733 56.287 0.035 0.000 0.821 847 K CB 2.373 34.808 32.500 -0.109 0.000 1.249 847 K HN 0.747 nan 8.250 nan 0.000 0.442 848 V N 1.258 121.274 119.914 0.170 0.000 2.604 848 V HA 0.700 4.807 4.120 -0.022 0.000 0.305 848 V C 0.344 176.687 176.094 0.415 0.000 1.043 848 V CA -0.988 61.377 62.300 0.109 0.000 0.888 848 V CB 1.794 33.499 31.823 -0.196 0.000 0.995 848 V HN 0.824 nan 8.190 nan 0.000 0.429 849 G N 3.022 112.075 108.800 0.422 0.000 2.416 849 G HA2 0.846 4.793 3.960 -0.022 0.000 0.324 849 G HA3 0.846 4.793 3.960 -0.022 0.000 0.324 849 G C -1.179 173.919 174.900 0.330 0.000 1.194 849 G CA -0.519 44.807 45.100 0.377 0.000 0.922 849 G HN 0.880 nan 8.290 nan 0.000 0.467 850 F N 0.181 120.125 119.950 -0.009 0.000 2.713 850 F HA 0.726 5.240 4.527 -0.021 0.000 0.311 850 F C -0.636 175.153 175.800 -0.017 0.000 1.141 850 F CA -1.849 56.130 58.000 -0.036 0.000 0.939 850 F CB 1.324 40.301 39.000 -0.040 0.000 1.325 850 F HN 0.239 nan 8.300 nan 0.000 0.453 851 M N 1.490 121.129 119.600 0.065 0.000 2.283 851 M HA 0.330 4.797 4.480 -0.022 0.000 0.314 851 M C 0.942 177.253 176.300 0.018 0.000 1.153 851 M CA -0.397 54.893 55.300 -0.017 0.000 1.084 851 M CB 1.180 33.788 32.600 0.013 0.000 1.468 851 M HN 0.824 nan 8.290 nan 0.000 0.474 852 K N 0.119 120.507 120.400 -0.020 0.000 2.442 852 K HA -0.101 4.205 4.320 -0.022 0.000 0.199 852 K C 1.333 177.975 176.600 0.069 0.000 1.044 852 K CA 1.155 57.452 56.287 0.016 0.000 0.941 852 K CB -0.166 32.333 32.500 -0.003 0.000 0.759 852 K HN 0.666 nan 8.250 nan 0.000 0.472 853 T N -0.855 113.741 114.554 0.069 0.000 3.067 853 T HA 0.024 4.361 4.350 -0.022 0.000 0.261 853 T C 1.331 176.090 174.700 0.099 0.000 1.110 853 T CA 0.953 63.096 62.100 0.071 0.000 1.113 853 T CB 0.249 69.143 68.868 0.044 0.000 0.917 853 T HN 0.530 nan 8.240 nan 0.000 0.499 854 G N 1.243 110.144 108.800 0.168 0.000 2.217 854 G HA2 -0.261 3.686 3.960 -0.022 0.000 0.246 854 G HA3 -0.261 3.686 3.960 -0.022 0.000 0.246 854 G C 0.434 175.391 174.900 0.096 0.000 0.990 854 G CA 0.231 45.427 45.100 0.160 0.000 0.627 854 G HN 0.501 nan 8.290 nan 0.000 0.522 855 T N 1.779 116.377 114.554 0.074 0.000 2.867 855 T HA 0.417 4.753 4.350 -0.022 0.000 0.297 855 T C 0.715 175.445 174.700 0.050 0.000 0.989 855 T CA 0.334 62.447 62.100 0.022 0.000 1.159 855 T CB 0.826 69.694 68.868 0.000 0.000 0.928 855 T HN 0.295 nan 8.240 nan 0.000 0.538 856 I N 3.932 124.492 120.570 -0.016 0.000 2.519 856 I HA 0.156 4.313 4.170 -0.022 0.000 0.287 856 I C 1.020 177.098 176.117 -0.066 0.000 1.047 856 I CA 0.485 61.761 61.300 -0.039 0.000 1.381 856 I CB 1.479 39.394 38.000 -0.141 0.000 1.417 856 I HN 0.451 nan 8.210 nan 0.000 0.540 857 V N 4.180 124.047 119.914 -0.078 0.000 3.159 857 V HA 0.523 4.630 4.120 -0.022 0.000 0.234 857 V C 0.315 176.279 176.094 -0.218 0.000 1.313 857 V CA 0.752 62.984 62.300 -0.114 0.000 1.271 857 V CB 0.893 32.674 31.823 -0.069 0.000 1.053 857 V HN 0.798 nan 8.190 nan 0.000 0.476 858 A N 0.092 122.730 122.820 -0.303 0.000 2.485 858 A HA 0.918 5.225 4.320 -0.022 0.000 0.292 858 A C -1.955 175.370 177.584 -0.431 0.000 1.147 858 A CA -0.488 51.222 52.037 -0.544 0.000 0.750 858 A CB 2.272 20.531 19.000 -1.236 0.000 1.331 858 A HN 0.371 nan 8.150 nan 0.000 0.419 859 L N -0.057 120.926 121.223 -0.401 0.000 2.641 859 L HA 0.614 4.941 4.340 -0.022 0.000 0.261 859 L C -1.053 175.758 176.870 -0.098 0.000 0.926 859 L CA 0.070 54.746 54.840 -0.272 0.000 0.917 859 L CB 1.943 43.755 42.059 -0.410 0.000 1.361 859 L HN 0.893 nan 8.230 nan 0.000 0.417 860 E N 4.145 124.394 120.200 0.081 0.000 2.256 860 E HA 0.768 5.105 4.350 -0.022 0.000 0.268 860 E C -1.988 174.678 176.600 0.110 0.000 0.877 860 E CA -0.743 55.729 56.400 0.121 0.000 0.757 860 E CB 2.162 32.004 29.700 0.237 0.000 1.183 860 E HN 0.499 nan 8.360 nan 0.000 0.418 861 V N 3.810 123.776 119.914 0.087 0.000 2.569 861 V HA 0.310 4.416 4.120 -0.022 0.000 0.301 861 V C -1.163 174.906 176.094 -0.042 0.000 1.044 861 V CA -1.047 61.266 62.300 0.021 0.000 0.874 861 V CB 1.881 33.669 31.823 -0.058 0.000 1.002 861 V HN 0.694 nan 8.190 nan 0.000 0.424 862 D N 2.693 123.070 120.400 -0.037 0.000 2.280 862 D HA 0.477 5.103 4.640 -0.022 0.000 0.236 862 D C -0.520 175.710 176.300 -0.117 0.000 1.082 862 D CA -0.240 53.723 54.000 -0.061 0.000 0.834 862 D CB 1.259 42.081 40.800 0.036 0.000 1.100 862 D HN 0.609 nan 8.370 nan 0.000 0.486 863 H N 1.082 120.074 119.070 -0.129 0.000 2.458 863 H HA 0.388 4.931 4.556 -0.022 0.000 0.330 863 H C -0.753 174.339 175.328 -0.393 0.000 1.111 863 H CA -0.393 55.638 56.048 -0.028 0.000 1.245 863 H CB 0.850 30.681 29.762 0.115 0.000 1.456 863 H HN 0.286 nan 8.280 nan 0.000 0.488 864 Y N 0.682 120.975 120.300 -0.012 0.000 2.338 864 Y HA 0.307 4.844 4.550 -0.022 0.000 0.333 864 Y C -0.112 175.552 175.900 -0.392 0.000 0.968 864 Y CA -1.007 57.024 58.100 -0.115 0.000 1.123 864 Y CB 1.641 40.124 38.460 0.039 0.000 1.165 864 Y HN 0.627 nan 8.280 nan 0.000 0.452 865 S N 1.786 117.200 115.700 -0.476 0.000 2.541 865 S HA 0.351 4.808 4.470 -0.022 0.000 0.283 865 S C -0.423 174.148 174.600 -0.048 0.000 1.196 865 S CA -0.911 56.959 58.200 -0.551 0.000 1.062 865 S CB 1.313 64.091 63.200 -0.704 0.000 1.009 865 S HN 0.632 nan 8.310 nan 0.000 0.502 866 N N 1.459 120.202 118.700 0.072 0.000 2.415 866 N HA 0.371 5.098 4.740 -0.022 0.000 0.246 866 N C 0.586 176.199 175.510 0.171 0.000 1.078 866 N CA -0.246 52.865 53.050 0.102 0.000 0.942 866 N CB 1.167 39.693 38.487 0.064 0.000 1.140 866 N HN 0.789 nan 8.380 nan 0.000 0.501 867 A N 2.616 125.566 122.820 0.217 0.000 2.147 867 A HA 0.415 4.722 4.320 -0.022 0.000 0.211 867 A C 1.140 178.849 177.584 0.208 0.000 1.160 867 A CA 0.832 53.069 52.037 0.334 0.000 0.781 867 A CB -0.660 18.635 19.000 0.492 0.000 0.842 867 A HN 0.921 nan 8.150 nan 0.000 0.475 868 G N 0.638 109.517 108.800 0.132 0.000 2.693 868 G HA2 -0.258 3.689 3.960 -0.022 0.000 0.226 868 G HA3 -0.258 3.689 3.960 -0.022 0.000 0.226 868 G C 0.176 175.172 174.900 0.161 0.000 1.354 868 G CA 0.149 45.296 45.100 0.079 0.000 0.873 868 G HN 1.050 nan 8.290 nan 0.000 0.562 869 N N 0.132 118.879 118.700 0.080 0.000 2.362 869 N HA 0.271 4.998 4.740 -0.022 0.000 0.204 869 N C 0.539 176.114 175.510 0.108 0.000 1.166 869 N CA 1.215 54.305 53.050 0.066 0.000 0.831 869 N CB -0.127 38.299 38.487 -0.101 0.000 1.008 869 N HN 1.785 nan 8.380 nan 0.000 0.472 870 S N -1.551 114.217 115.700 0.113 0.000 2.588 870 S HA 0.478 4.935 4.470 -0.022 0.000 0.269 870 S C 0.472 174.928 174.600 -0.239 0.000 1.157 870 S CA -0.939 57.242 58.200 -0.030 0.000 0.824 870 S CB 1.870 65.078 63.200 0.013 0.000 1.126 870 S HN 0.022 nan 8.310 nan 0.000 0.464 871 R N 0.837 121.074 120.500 -0.437 0.000 2.061 871 R HA 0.085 4.412 4.340 -0.022 0.000 0.230 871 R C 0.784 177.113 176.300 0.049 0.000 1.140 871 R CA 1.589 57.434 56.100 -0.425 0.000 0.940 871 R CB -0.771 29.295 30.300 -0.391 0.000 0.839 871 R HN 0.888 nan 8.270 nan 0.000 0.429 872 D N -1.279 119.268 120.400 0.245 0.000 3.528 872 D HA -0.274 4.353 4.640 -0.022 0.000 0.163 872 D C 0.068 176.615 176.300 0.412 0.000 1.069 872 D CA 1.954 56.130 54.000 0.293 0.000 1.082 872 D CB -0.815 40.121 40.800 0.226 0.000 0.538 872 D HN 0.090 nan 8.370 nan 0.000 0.579 873 L N 0.445 121.878 121.223 0.349 0.000 2.653 873 L HA 0.249 4.576 4.340 -0.022 0.000 0.232 873 L C 1.955 178.946 176.870 0.201 0.000 1.169 873 L CA 0.154 55.216 54.840 0.371 0.000 0.951 873 L CB -0.033 42.297 42.059 0.452 0.000 1.181 873 L HN 0.148 nan 8.230 nan 0.000 0.460 874 S N -0.682 115.119 115.700 0.167 0.000 2.383 874 S HA -0.252 4.205 4.470 -0.022 0.000 0.229 874 S C 1.874 176.422 174.600 -0.086 0.000 1.030 874 S CA 1.517 59.700 58.200 -0.029 0.000 1.002 874 S CB -0.247 63.030 63.200 0.129 0.000 0.829 874 S HN 0.614 nan 8.310 nan 0.000 0.467 875 H N 1.697 120.732 119.070 -0.058 0.000 2.326 875 H HA -0.044 4.498 4.556 -0.022 0.000 0.301 875 H C 2.137 177.429 175.328 -0.060 0.000 1.081 875 H CA 1.877 57.869 56.048 -0.094 0.000 1.334 875 H CB -0.065 29.611 29.762 -0.144 0.000 1.385 875 H HN 0.406 nan 8.280 nan 0.000 0.504 876 S N -0.031 115.807 115.700 0.230 0.000 2.436 876 S HA -0.056 4.401 4.470 -0.022 0.000 0.228 876 S C 2.192 176.905 174.600 0.189 0.000 1.014 876 S CA 0.892 59.275 58.200 0.304 0.000 0.950 876 S CB -0.208 63.288 63.200 0.493 0.000 0.784 876 S HN 0.388 nan 8.310 nan 0.000 0.504 877 I N 1.308 121.737 120.570 -0.235 0.000 2.118 877 I HA -0.243 3.913 4.170 -0.022 0.000 0.241 877 I C 2.672 178.688 176.117 -0.168 0.000 1.070 877 I CA 1.605 62.593 61.300 -0.521 0.000 1.327 877 I CB -0.390 37.148 38.000 -0.771 0.000 1.034 877 I HN 0.266 nan 8.210 nan 0.000 0.405 878 M N 0.757 120.250 119.600 -0.179 0.000 2.149 878 M HA -0.225 4.242 4.480 -0.022 0.000 0.261 878 M C 2.075 178.270 176.300 -0.175 0.000 1.064 878 M CA 1.828 57.036 55.300 -0.152 0.000 1.102 878 M CB -0.541 31.890 32.600 -0.283 0.000 1.369 878 M HN 0.155 nan 8.290 nan 0.000 0.408 879 E N -0.933 119.154 120.200 -0.187 0.000 2.051 879 E HA -0.254 4.083 4.350 -0.022 0.000 0.192 879 E C 2.191 178.729 176.600 -0.104 0.000 0.991 879 E CA 1.431 57.720 56.400 -0.186 0.000 0.799 879 E CB -0.376 29.306 29.700 -0.030 0.000 0.748 879 E HN 0.534 nan 8.360 nan 0.000 0.449 880 R N 0.955 121.593 120.500 0.231 0.000 2.105 880 R HA -0.160 4.167 4.340 -0.022 0.000 0.239 880 R C 2.229 178.725 176.300 0.327 0.000 1.135 880 R CA 1.285 57.664 56.100 0.464 0.000 0.967 880 R CB -0.206 30.374 30.300 0.466 0.000 0.861 880 R HN 0.136 nan 8.270 nan 0.000 0.442 881 A N 1.440 124.314 122.820 0.090 0.000 1.859 881 A HA -0.185 4.122 4.320 -0.022 0.000 0.217 881 A C 2.211 179.778 177.584 -0.027 0.000 1.198 881 A CA 1.712 53.737 52.037 -0.020 0.000 0.629 881 A CB -0.822 18.135 19.000 -0.071 0.000 0.830 881 A HN 0.373 nan 8.150 nan 0.000 0.446 882 L N -1.778 119.364 121.223 -0.135 0.000 2.127 882 L HA -0.194 4.133 4.340 -0.022 0.000 0.211 882 L C 2.443 179.375 176.870 0.104 0.000 1.089 882 L CA 1.299 56.095 54.840 -0.074 0.000 0.757 882 L CB -0.710 41.273 42.059 -0.128 0.000 0.899 882 L HN 0.429 nan 8.230 nan 0.000 0.434 883 F N -1.121 118.858 119.950 0.048 0.000 2.408 883 F HA -0.170 4.345 4.527 -0.021 0.000 0.300 883 F C 2.188 177.939 175.800 -0.082 0.000 1.090 883 F CA 0.640 58.526 58.000 -0.190 0.000 1.427 883 F CB -0.133 38.653 39.000 -0.355 0.000 1.070 883 F HN 0.237 nan 8.300 nan 0.000 0.549 884 H N -0.632 118.625 119.070 0.313 0.000 2.893 884 H HA 0.145 4.688 4.556 -0.022 0.000 0.270 884 H C 2.027 177.434 175.328 0.132 0.000 1.095 884 H CA 0.326 56.487 56.048 0.190 0.000 1.186 884 H CB 0.015 29.787 29.762 0.016 0.000 1.562 884 H HN 0.371 nan 8.280 nan 0.000 0.536 885 M N 1.043 120.778 119.600 0.224 0.000 2.623 885 M HA -0.097 4.370 4.480 -0.022 0.000 0.258 885 M C 0.626 176.999 176.300 0.120 0.000 1.067 885 M CA 1.635 57.035 55.300 0.168 0.000 1.068 885 M CB -0.075 32.650 32.600 0.208 0.000 1.409 885 M HN -0.007 nan 8.290 nan 0.000 0.504 886 D N -1.164 119.282 120.400 0.076 0.000 2.367 886 D HA -0.009 4.618 4.640 -0.022 0.000 0.207 886 D C 0.844 177.205 176.300 0.102 0.000 1.034 886 D CA 0.224 54.292 54.000 0.114 0.000 0.861 886 D CB -0.504 40.395 40.800 0.164 0.000 0.943 886 D HN 0.485 nan 8.370 nan 0.000 0.515 887 N N 0.779 119.497 118.700 0.030 0.000 1.167 887 N HA -0.314 4.413 4.740 -0.022 0.000 0.140 887 N C -0.075 175.353 175.510 -0.136 0.000 0.473 887 N CA 2.586 55.574 53.050 -0.104 0.000 0.991 887 N CB -1.154 37.186 38.487 -0.244 0.000 1.437 887 N HN 0.339 nan 8.380 nan 0.000 0.473 888 C N -0.096 118.838 119.300 -0.611 0.000 2.470 888 C HA 0.430 4.877 4.460 -0.022 0.000 0.311 888 C C -0.861 173.749 174.990 -0.633 0.000 1.387 888 C CA -0.403 58.404 59.018 -0.351 0.000 1.783 888 C CB -2.129 25.437 27.740 -0.289 0.000 2.416 888 C HN 0.336 nan 8.230 nan 0.000 0.558 889 Y N 0.276 120.344 120.300 -0.385 0.000 2.361 889 Y HA 0.408 4.945 4.550 -0.021 0.000 0.337 889 Y C 0.101 175.433 175.900 -0.947 0.000 0.965 889 Y CA -1.092 56.652 58.100 -0.593 0.000 1.091 889 Y CB 0.997 39.332 38.460 -0.208 0.000 1.182 889 Y HN -0.154 nan 8.280 nan 0.000 0.450 890 K N 4.043 123.935 120.400 -0.847 0.000 2.349 890 K HA 0.399 4.706 4.320 -0.022 0.000 0.289 890 K C -1.419 175.033 176.600 -0.247 0.000 1.064 890 K CA 0.393 56.319 56.287 -0.602 0.000 0.947 890 K CB -0.140 32.106 32.500 -0.422 0.000 1.007 890 K HN 0.686 nan 8.250 nan 0.000 0.478 891 I N 8.530 129.006 120.570 -0.156 0.000 2.420 891 I HA 0.244 4.401 4.170 -0.022 0.000 0.282 891 I C -1.724 174.337 176.117 -0.094 0.000 1.019 891 I CA -2.209 59.023 61.300 -0.114 0.000 1.130 891 I CB 2.009 39.950 38.000 -0.099 0.000 1.262 891 I HN 0.612 nan 8.210 nan 0.000 0.454 892 P HA -0.039 nan 4.420 nan 0.000 0.218 892 P C -0.294 176.954 177.300 -0.087 0.000 1.149 892 P CA 1.211 64.261 63.100 -0.083 0.000 0.817 892 P CB 0.208 31.857 31.700 -0.085 0.000 0.785 893 N N -0.190 118.432 118.700 -0.130 0.000 2.284 893 N HA 0.546 5.273 4.740 -0.022 0.000 0.300 893 N C -1.033 174.379 175.510 -0.163 0.000 1.047 893 N CA -0.513 52.448 53.050 -0.148 0.000 0.821 893 N CB 2.375 40.733 38.487 -0.214 0.000 1.337 893 N HN -0.108 nan 8.380 nan 0.000 0.482 894 I N 1.147 121.653 120.570 -0.106 0.000 2.715 894 I HA 0.246 4.402 4.170 -0.022 0.000 0.288 894 I C -1.674 174.440 176.117 -0.004 0.000 1.371 894 I CA -0.452 60.807 61.300 -0.069 0.000 1.056 894 I CB 1.879 39.857 38.000 -0.037 0.000 1.339 894 I HN 0.488 nan 8.210 nan 0.000 0.425 895 R N 5.308 125.815 120.500 0.011 0.000 2.673 895 R HA 0.818 5.145 4.340 -0.022 0.000 0.281 895 R C -1.606 174.751 176.300 0.094 0.000 0.991 895 R CA -0.693 55.445 56.100 0.064 0.000 0.896 895 R CB 2.339 32.673 30.300 0.058 0.000 1.201 895 R HN 0.756 nan 8.270 nan 0.000 0.457 896 G N 2.174 111.055 108.800 0.134 0.000 2.668 896 G HA2 0.367 4.314 3.960 -0.022 0.000 0.284 896 G HA3 0.367 4.314 3.960 -0.022 0.000 0.284 896 G C -0.663 174.344 174.900 0.178 0.000 1.456 896 G CA -0.342 44.880 45.100 0.202 0.000 1.214 896 G HN 0.668 nan 8.290 nan 0.000 0.568 897 T N -0.627 114.018 114.554 0.151 0.000 2.870 897 T HA 0.916 5.253 4.350 -0.022 0.000 0.277 897 T C 0.234 174.968 174.700 0.058 0.000 1.000 897 T CA -0.632 61.501 62.100 0.054 0.000 0.982 897 T CB 2.398 71.243 68.868 -0.039 0.000 1.249 897 T HN 1.582 nan 8.240 nan 0.000 0.589 898 G N -0.113 108.608 108.800 -0.132 0.000 2.761 898 G HA2 0.556 4.503 3.960 -0.022 0.000 0.296 898 G HA3 0.556 4.503 3.960 -0.022 0.000 0.296 898 G C -1.717 172.986 174.900 -0.329 0.000 1.416 898 G CA -0.901 44.073 45.100 -0.211 0.000 1.105 898 G HN 0.708 nan 8.290 nan 0.000 0.565 899 R N 1.095 121.350 120.500 -0.408 0.000 2.673 899 R HA 0.682 5.009 4.340 -0.022 0.000 0.281 899 R C -1.052 175.163 176.300 -0.142 0.000 0.991 899 R CA -0.801 55.078 56.100 -0.368 0.000 0.896 899 R CB 1.657 31.584 30.300 -0.623 0.000 1.201 899 R HN 0.423 nan 8.270 nan 0.000 0.457 900 L N 3.809 125.039 121.223 0.012 0.000 2.276 900 L HA 0.502 4.829 4.340 -0.022 0.000 0.286 900 L C -0.571 176.435 176.870 0.226 0.000 1.024 900 L CA -0.954 53.956 54.840 0.116 0.000 0.826 900 L CB 1.574 43.744 42.059 0.186 0.000 1.211 900 L HN 0.594 nan 8.230 nan 0.000 0.422 901 C N 2.771 122.180 119.300 0.181 0.000 2.435 901 C HA 0.243 4.690 4.460 -0.022 0.000 0.375 901 C C 0.663 175.550 174.990 -0.172 0.000 1.281 901 C CA -0.768 58.281 59.018 0.052 0.000 1.963 901 C CB 0.563 28.344 27.740 0.068 0.000 2.490 901 C HN 0.668 nan 8.230 nan 0.000 0.557 902 K N 2.807 122.940 120.400 -0.446 0.000 2.281 902 K HA 0.494 4.800 4.320 -0.022 0.000 0.272 902 K C -0.026 176.381 176.600 -0.321 0.000 1.048 902 K CA 0.125 56.023 56.287 -0.648 0.000 0.898 902 K CB 0.523 32.449 32.500 -0.956 0.000 1.128 902 K HN 0.949 nan 8.250 nan 0.000 0.460 903 T N 0.004 114.452 114.554 -0.177 0.000 2.883 903 T HA 0.317 4.653 4.350 -0.022 0.000 0.296 903 T C -0.073 174.552 174.700 -0.124 0.000 1.117 903 T CA -1.091 60.921 62.100 -0.146 0.000 1.006 903 T CB 1.085 69.884 68.868 -0.115 0.000 1.191 903 T HN 0.412 nan 8.240 nan 0.000 0.508 904 N N 1.542 120.160 118.700 -0.137 0.000 3.243 904 N HA 0.300 5.027 4.740 -0.022 0.000 0.310 904 N C -0.812 174.652 175.510 -0.077 0.000 1.313 904 N CA 0.052 53.025 53.050 -0.127 0.000 1.204 904 N CB -0.456 37.955 38.487 -0.127 0.000 1.483 904 N HN 0.495 nan 8.380 nan 0.000 0.553 905 L N -0.296 120.889 121.223 -0.064 0.000 2.350 905 L HA 0.331 4.658 4.340 -0.022 0.000 0.260 905 L C 0.515 177.385 176.870 -0.000 0.000 1.015 905 L CA -0.885 53.938 54.840 -0.029 0.000 0.821 905 L CB 1.761 43.772 42.059 -0.081 0.000 1.370 905 L HN -0.030 nan 8.230 nan 0.000 0.416 906 S N 0.843 116.570 115.700 0.045 0.000 2.643 906 S HA -0.090 4.367 4.470 -0.022 0.000 0.310 906 S C 0.280 174.905 174.600 0.042 0.000 1.253 906 S CA 0.089 58.321 58.200 0.052 0.000 1.047 906 S CB 0.344 63.600 63.200 0.092 0.000 0.767 906 S HN 0.572 nan 8.310 nan 0.000 0.498 907 S N 3.470 119.196 115.700 0.044 0.000 2.525 907 S HA 0.063 4.520 4.470 -0.022 0.000 0.285 907 S C 0.262 174.890 174.600 0.047 0.000 1.283 907 S CA -0.620 57.615 58.200 0.059 0.000 1.072 907 S CB -0.177 63.068 63.200 0.074 0.000 0.867 907 S HN 0.622 nan 8.310 nan 0.000 0.492 908 N N 2.794 121.465 118.700 -0.048 0.000 2.463 908 N HA 0.464 5.191 4.740 -0.022 0.000 0.270 908 N C 0.174 175.679 175.510 -0.008 0.000 1.205 908 N CA -0.251 52.679 53.050 -0.200 0.000 0.974 908 N CB 1.518 39.564 38.487 -0.735 0.000 1.197 908 N HN 0.674 nan 8.380 nan 0.000 0.504 909 T N -1.466 113.184 114.554 0.160 0.000 2.618 909 T HA 0.628 4.965 4.350 -0.022 0.000 0.293 909 T C -1.213 173.769 174.700 0.471 0.000 1.093 909 T CA -0.541 61.779 62.100 0.367 0.000 1.061 909 T CB 0.479 69.538 68.868 0.318 0.000 1.498 909 T HN 0.502 nan 8.240 nan 0.000 0.494 910 A N 1.087 124.213 122.820 0.510 0.000 2.531 910 A HA 0.557 4.864 4.320 -0.022 0.000 0.236 910 A C -0.659 177.345 177.584 0.700 0.000 1.062 910 A CA 0.184 52.618 52.037 0.662 0.000 0.760 910 A CB -0.658 18.753 19.000 0.686 0.000 0.995 910 A HN 0.736 nan 8.150 nan 0.000 0.501 911 F N 1.879 122.125 119.950 0.493 0.000 2.605 911 F HA 0.403 4.916 4.527 -0.023 0.000 0.320 911 F C 0.473 176.465 175.800 0.320 0.000 1.159 911 F CA -1.072 57.176 58.000 0.414 0.000 0.999 911 F CB 1.159 40.266 39.000 0.179 0.000 1.258 911 F HN 0.775 nan 8.300 nan 0.000 0.464 912 R N 3.860 124.811 120.500 0.752 0.000 3.651 912 R HA -0.034 4.293 4.340 -0.022 0.000 0.201 912 R C 0.999 177.479 176.300 0.300 0.000 0.627 912 R CA 2.135 58.507 56.100 0.454 0.000 0.952 912 R CB -0.482 30.086 30.300 0.446 0.000 1.005 912 R HN 1.154 nan 8.270 nan 0.000 0.327 913 G N 3.565 112.494 108.800 0.214 0.000 2.376 913 G HA2 -0.318 3.629 3.960 -0.022 0.000 0.208 913 G HA3 -0.318 3.629 3.960 -0.022 0.000 0.208 913 G C 0.247 175.432 174.900 0.474 0.000 1.032 913 G CA -0.039 45.178 45.100 0.194 0.000 0.641 913 G HN 0.849 nan 8.290 nan 0.000 0.503 914 F N 0.566 120.642 119.950 0.210 0.000 2.803 914 F HA 0.112 4.627 4.527 -0.021 0.000 0.323 914 F C 1.692 177.566 175.800 0.123 0.000 1.033 914 F CA 2.278 60.403 58.000 0.207 0.000 1.066 914 F CB -1.038 38.096 39.000 0.223 0.000 1.283 914 F HN 2.134 nan 8.300 nan 0.000 0.816 915 G N 0.270 109.056 108.800 -0.024 0.000 2.328 915 G HA2 -0.321 3.626 3.960 -0.022 0.000 0.256 915 G HA3 -0.321 3.626 3.960 -0.022 0.000 0.256 915 G C 1.696 176.498 174.900 -0.164 0.000 1.014 915 G CA 1.023 46.025 45.100 -0.163 0.000 0.620 915 G HN 1.683 nan 8.290 nan 0.000 0.530 916 G N 1.799 110.581 108.800 -0.030 0.000 2.511 916 G HA2 0.013 3.960 3.960 -0.022 0.000 0.216 916 G HA3 0.013 3.960 3.960 -0.022 0.000 0.216 916 G C 0.116 174.977 174.900 -0.065 0.000 1.218 916 G CA 1.982 47.021 45.100 -0.102 0.000 0.788 916 G HN 0.541 nan 8.290 nan 0.000 0.560 917 P HA -0.128 nan 4.420 nan 0.000 0.216 917 P C 1.822 179.184 177.300 0.103 0.000 1.153 917 P CA 1.581 64.780 63.100 0.165 0.000 0.858 917 P CB -0.048 31.749 31.700 0.162 0.000 0.789 918 Q N -0.365 119.346 119.800 -0.149 0.000 2.002 918 Q HA -0.136 4.191 4.340 -0.022 0.000 0.204 918 Q C 2.360 178.278 176.000 -0.136 0.000 0.988 918 Q CA 2.149 57.781 55.803 -0.284 0.000 0.843 918 Q CB -1.516 26.629 28.738 -0.989 0.000 0.908 918 Q HN 0.161 nan 8.270 nan 0.000 0.420 919 A N 0.226 122.918 122.820 -0.213 0.000 1.978 919 A HA -0.146 4.161 4.320 -0.022 0.000 0.220 919 A C 2.063 179.628 177.584 -0.032 0.000 1.170 919 A CA 1.264 53.300 52.037 -0.001 0.000 0.636 919 A CB -0.667 18.323 19.000 -0.017 0.000 0.810 919 A HN 0.338 nan 8.150 nan 0.000 0.448 920 L N -2.413 118.687 121.223 -0.206 0.000 2.179 920 L HA -0.038 4.289 4.340 -0.022 0.000 0.208 920 L C 2.361 178.923 176.870 -0.513 0.000 1.096 920 L CA 0.917 55.417 54.840 -0.566 0.000 0.779 920 L CB -0.357 40.980 42.059 -1.204 0.000 0.922 920 L HN 0.512 nan 8.230 nan 0.000 0.443 921 F N 1.003 120.838 119.950 -0.191 0.000 2.084 921 F HA -0.186 4.328 4.527 -0.022 0.000 0.296 921 F C 2.257 178.055 175.800 -0.002 0.000 1.111 921 F CA 1.436 59.531 58.000 0.158 0.000 1.224 921 F CB -0.181 38.916 39.000 0.163 0.000 0.991 921 F HN -0.130 nan 8.300 nan 0.000 0.471 922 I N 0.564 121.122 120.570 -0.020 0.000 2.236 922 I HA -0.396 3.761 4.170 -0.022 0.000 0.249 922 I C 2.629 178.474 176.117 -0.453 0.000 1.102 922 I CA 1.424 62.633 61.300 -0.151 0.000 1.365 922 I CB -0.946 37.112 38.000 0.096 0.000 1.051 922 I HN 0.299 nan 8.210 nan 0.000 0.420 923 A N 0.008 122.533 122.820 -0.491 0.000 1.897 923 A HA -0.140 4.167 4.320 -0.022 0.000 0.215 923 A C 2.228 179.055 177.584 -1.262 0.000 1.181 923 A CA 1.239 52.669 52.037 -1.011 0.000 0.620 923 A CB -0.323 18.387 19.000 -0.483 0.000 0.821 923 A HN 0.320 nan 8.150 nan 0.000 0.443 924 E N -0.066 119.713 120.200 -0.702 0.000 2.274 924 E HA -0.132 4.205 4.350 -0.022 0.000 0.194 924 E C 1.638 177.670 176.600 -0.946 0.000 0.996 924 E CA 0.826 56.770 56.400 -0.760 0.000 0.840 924 E CB -0.346 29.033 29.700 -0.535 0.000 0.772 924 E HN 0.664 nan 8.360 nan 0.000 0.491 925 N N 1.523 119.807 118.700 -0.693 0.000 2.039 925 N HA -0.171 4.556 4.740 -0.022 0.000 0.193 925 N C 1.902 177.179 175.510 -0.388 0.000 1.044 925 N CA 2.041 54.829 53.050 -0.437 0.000 0.847 925 N CB -0.427 37.789 38.487 -0.452 0.000 1.030 925 N HN 0.397 nan 8.380 nan 0.000 0.422 926 W N -0.411 120.617 121.300 -0.453 0.000 2.374 926 W HA -0.124 4.523 4.660 -0.021 0.000 0.288 926 W C 1.692 178.008 176.519 -0.338 0.000 1.218 926 W CA 0.397 57.516 57.345 -0.377 0.000 1.245 926 W CB -0.795 28.423 29.460 -0.403 0.000 1.126 926 W HN 0.159 nan 8.180 nan 0.000 0.545 927 M N 3.393 122.696 119.600 -0.496 0.000 2.159 927 M HA -0.183 4.284 4.480 -0.022 0.000 0.263 927 M C 2.564 178.674 176.300 -0.315 0.000 1.063 927 M CA 2.775 57.812 55.300 -0.437 0.000 1.110 927 M CB -0.851 31.260 32.600 -0.815 0.000 1.374 927 M HN 0.088 nan 8.290 nan 0.000 0.411 928 S N -0.636 114.850 115.700 -0.357 0.000 2.383 928 S HA -0.140 4.317 4.470 -0.022 0.000 0.227 928 S C 1.746 176.277 174.600 -0.116 0.000 1.026 928 S CA 1.386 59.444 58.200 -0.237 0.000 0.981 928 S CB -0.830 62.218 63.200 -0.254 0.000 0.818 928 S HN 0.697 nan 8.310 nan 0.000 0.472 929 E N 0.884 121.031 120.200 -0.089 0.000 2.106 929 E HA -0.056 4.281 4.350 -0.022 0.000 0.192 929 E C 2.200 178.748 176.600 -0.087 0.000 0.984 929 E CA 1.199 57.581 56.400 -0.029 0.000 0.806 929 E CB -0.408 29.326 29.700 0.055 0.000 0.750 929 E HN 0.419 nan 8.360 nan 0.000 0.458 930 V N 1.789 121.552 119.914 -0.252 0.000 2.255 930 V HA -0.315 3.792 4.120 -0.022 0.000 0.247 930 V C 2.442 178.437 176.094 -0.165 0.000 1.051 930 V CA 2.009 63.988 62.300 -0.536 0.000 1.018 930 V CB -0.849 30.590 31.823 -0.641 0.000 0.641 930 V HN 0.315 nan 8.190 nan 0.000 0.445 931 A N -0.289 122.468 122.820 -0.104 0.000 1.883 931 A HA -0.197 4.110 4.320 -0.022 0.000 0.217 931 A C 2.411 180.019 177.584 0.039 0.000 1.186 931 A CA 2.353 54.382 52.037 -0.013 0.000 0.624 931 A CB -0.845 18.146 19.000 -0.015 0.000 0.822 931 A HN 0.330 nan 8.150 nan 0.000 0.444 932 V N -0.300 119.635 119.914 0.035 0.000 2.287 932 V HA -0.254 3.853 4.120 -0.022 0.000 0.248 932 V C 2.769 178.924 176.094 0.102 0.000 1.053 932 V CA 2.559 64.901 62.300 0.070 0.000 1.027 932 V CB -1.315 30.548 31.823 0.067 0.000 0.646 932 V HN 0.631 nan 8.190 nan 0.000 0.447 933 T N -1.120 113.515 114.554 0.135 0.000 2.720 933 T HA -0.232 4.105 4.350 -0.022 0.000 0.268 933 T C 1.711 176.529 174.700 0.197 0.000 1.037 933 T CA 1.977 64.199 62.100 0.204 0.000 1.144 933 T CB -0.470 68.619 68.868 0.368 0.000 0.864 933 T HN 0.566 nan 8.240 nan 0.000 0.444 934 C N 0.965 120.390 119.300 0.208 0.000 2.562 934 C HA 0.439 4.886 4.460 -0.022 0.000 0.266 934 C C 2.095 177.151 174.990 0.109 0.000 1.382 934 C CA -0.546 58.573 59.018 0.168 0.000 1.742 934 C CB -1.456 26.397 27.740 0.187 0.000 1.812 934 C HN 0.797 nan 8.230 nan 0.000 0.559 935 G N 1.191 110.050 108.800 0.099 0.000 2.305 935 G HA2 -0.265 3.682 3.960 -0.022 0.000 0.287 935 G HA3 -0.265 3.682 3.960 -0.022 0.000 0.287 935 G C -0.178 174.768 174.900 0.077 0.000 1.036 935 G CA 0.243 45.391 45.100 0.080 0.000 0.887 935 G HN 0.568 nan 8.290 nan 0.000 0.505 936 L N -0.630 120.642 121.223 0.082 0.000 2.334 936 L HA 0.544 4.871 4.340 -0.022 0.000 0.270 936 L C -1.968 174.957 176.870 0.092 0.000 1.018 936 L CA -2.652 52.239 54.840 0.085 0.000 0.811 936 L CB 1.734 43.845 42.059 0.087 0.000 1.271 936 L HN -0.154 nan 8.230 nan 0.000 0.443 937 P HA 0.074 nan 4.420 nan 0.000 0.270 937 P C 0.286 177.676 177.300 0.149 0.000 1.242 937 P CA -0.047 63.138 63.100 0.142 0.000 0.768 937 P CB 1.125 32.932 31.700 0.178 0.000 0.820 938 A N 5.011 127.909 122.820 0.129 0.000 1.935 938 A HA -0.349 3.958 4.320 -0.022 0.000 0.224 938 A C 1.854 179.541 177.584 0.172 0.000 1.324 938 A CA 2.448 54.552 52.037 0.112 0.000 0.686 938 A CB -1.188 17.874 19.000 0.103 0.000 0.837 938 A HN 0.571 nan 8.150 nan 0.000 0.481 939 E N -0.160 120.180 120.200 0.233 0.000 2.209 939 E HA -0.136 4.201 4.350 -0.022 0.000 0.196 939 E C 1.788 178.629 176.600 0.402 0.000 0.993 939 E CA 1.452 58.076 56.400 0.373 0.000 0.819 939 E CB -0.341 29.487 29.700 0.213 0.000 0.745 939 E HN 0.835 nan 8.360 nan 0.000 0.477 940 E N 0.177 120.544 120.200 0.278 0.000 2.051 940 E HA -0.076 4.261 4.350 -0.022 0.000 0.189 940 E C 1.970 178.683 176.600 0.188 0.000 0.979 940 E CA 0.951 57.503 56.400 0.254 0.000 0.803 940 E CB 0.128 29.943 29.700 0.191 0.000 0.761 940 E HN 0.079 nan 8.360 nan 0.000 0.451 941 V N 1.162 121.141 119.914 0.109 0.000 2.490 941 V HA -0.232 3.875 4.120 -0.022 0.000 0.250 941 V C 2.183 178.235 176.094 -0.070 0.000 1.061 941 V CA 1.589 63.897 62.300 0.014 0.000 1.064 941 V CB -0.444 31.366 31.823 -0.023 0.000 0.670 941 V HN 0.184 nan 8.190 nan 0.000 0.461 942 R N -1.176 119.311 120.500 -0.021 0.000 2.057 942 R HA -0.128 4.198 4.340 -0.022 0.000 0.229 942 R C 2.265 178.526 176.300 -0.066 0.000 1.136 942 R CA 1.693 57.749 56.100 -0.074 0.000 0.952 942 R CB -0.434 29.909 30.300 0.073 0.000 0.848 942 R HN 0.676 nan 8.270 nan 0.000 0.430 943 W N 2.510 123.653 121.300 -0.262 0.000 2.317 943 W HA -0.261 4.385 4.660 -0.023 0.000 0.318 943 W C 1.407 177.830 176.519 -0.160 0.000 1.227 943 W CA 1.575 58.724 57.345 -0.327 0.000 1.269 943 W CB -0.162 29.212 29.460 -0.144 0.000 1.155 943 W HN 0.043 nan 8.180 nan 0.000 0.484 944 K N -0.237 120.137 120.400 -0.043 0.000 2.160 944 K HA -0.215 4.092 4.320 -0.022 0.000 0.206 944 K C 1.447 177.932 176.600 -0.191 0.000 1.047 944 K CA 1.679 57.897 56.287 -0.116 0.000 0.930 944 K CB -0.336 32.160 32.500 -0.007 0.000 0.720 944 K HN 0.161 nan 8.250 nan 0.000 0.450 945 N N 0.126 118.722 118.700 -0.173 0.000 2.280 945 N HA 0.020 4.747 4.740 -0.022 0.000 0.192 945 N C 0.226 175.672 175.510 -0.107 0.000 1.109 945 N CA 0.056 53.015 53.050 -0.152 0.000 0.855 945 N CB 0.284 38.640 38.487 -0.218 0.000 0.974 945 N HN 0.180 nan 8.380 nan 0.000 0.482 946 M N 1.180 120.676 119.600 -0.173 0.000 2.238 946 M HA 0.007 4.474 4.480 -0.022 0.000 0.350 946 M C -0.389 175.716 176.300 -0.325 0.000 1.321 946 M CA -0.165 55.005 55.300 -0.215 0.000 1.097 946 M CB 0.343 32.721 32.600 -0.370 0.000 1.713 946 M HN 0.049 nan 8.290 nan 0.000 0.455 947 Y N 4.063 124.159 120.300 -0.340 0.000 2.960 947 Y HA -0.137 4.400 4.550 -0.022 0.000 0.345 947 Y C 0.656 176.211 175.900 -0.574 0.000 1.277 947 Y CA 0.607 58.353 58.100 -0.589 0.000 1.508 947 Y CB 0.275 38.066 38.460 -1.115 0.000 1.317 947 Y HN 0.446 nan 8.280 nan 0.000 0.639 948 K N 2.035 122.264 120.400 -0.284 0.000 2.156 948 K HA 0.149 4.456 4.320 -0.022 0.000 0.254 948 K C -0.582 175.872 176.600 -0.242 0.000 0.950 948 K CA -1.069 55.091 56.287 -0.211 0.000 0.849 948 K CB 1.654 34.064 32.500 -0.151 0.000 1.100 948 K HN 0.614 nan 8.250 nan 0.000 0.434 949 E N 0.261 120.422 120.200 -0.066 0.000 2.585 949 E HA 0.001 4.338 4.350 -0.022 0.000 0.252 949 E C 0.768 177.325 176.600 -0.071 0.000 0.981 949 E CA 1.550 57.941 56.400 -0.014 0.000 0.943 949 E CB -0.173 29.567 29.700 0.068 0.000 0.923 949 E HN 0.753 nan 8.360 nan 0.000 0.486 950 G N 4.226 112.968 108.800 -0.095 0.000 2.313 950 G HA2 -0.251 3.696 3.960 -0.022 0.000 0.215 950 G HA3 -0.251 3.696 3.960 -0.022 0.000 0.215 950 G C 0.135 174.948 174.900 -0.145 0.000 1.023 950 G CA -0.063 44.982 45.100 -0.090 0.000 0.626 950 G HN 0.683 nan 8.290 nan 0.000 0.503 951 D N 0.726 121.002 120.400 -0.206 0.000 2.429 951 D HA 0.245 4.872 4.640 -0.022 0.000 0.233 951 D C 0.782 176.921 176.300 -0.269 0.000 1.202 951 D CA 0.555 54.434 54.000 -0.202 0.000 0.879 951 D CB 0.467 41.178 40.800 -0.148 0.000 1.212 951 D HN 0.290 nan 8.370 nan 0.000 0.465 952 L N 1.290 122.395 121.223 -0.197 0.000 2.309 952 L HA 0.193 4.520 4.340 -0.022 0.000 0.282 952 L C 1.357 178.072 176.870 -0.258 0.000 1.036 952 L CA -0.641 54.053 54.840 -0.243 0.000 0.806 952 L CB 1.639 43.606 42.059 -0.154 0.000 1.220 952 L HN 0.488 nan 8.230 nan 0.000 0.429 953 T N -2.331 111.932 114.554 -0.485 0.000 2.753 953 T HA 0.031 4.368 4.350 -0.022 0.000 0.309 953 T C 1.344 175.908 174.700 -0.226 0.000 1.043 953 T CA -0.122 61.728 62.100 -0.415 0.000 0.964 953 T CB 0.417 68.701 68.868 -0.972 0.000 1.206 953 T HN 0.746 nan 8.240 nan 0.000 0.528 954 H N -0.052 118.926 119.070 -0.153 0.000 2.547 954 H HA 0.089 4.632 4.556 -0.022 0.000 0.272 954 H C 1.207 176.569 175.328 0.056 0.000 0.989 954 H CA 0.662 56.707 56.048 -0.004 0.000 1.214 954 H CB -0.626 29.201 29.762 0.109 0.000 1.389 954 H HN 0.740 nan 8.280 nan 0.000 0.577 955 F N -0.201 119.548 119.950 -0.334 0.000 2.653 955 F HA 0.431 4.944 4.527 -0.023 0.000 0.304 955 F C 0.131 175.936 175.800 0.008 0.000 1.092 955 F CA -0.845 57.042 58.000 -0.188 0.000 1.279 955 F CB 0.049 38.770 39.000 -0.466 0.000 1.044 955 F HN -0.125 nan 8.300 nan 0.000 0.564 956 N N 1.338 119.829 118.700 -0.348 0.000 2.869 956 N HA -0.233 4.494 4.740 -0.022 0.000 0.249 956 N C -0.088 175.289 175.510 -0.223 0.000 1.104 956 N CA 0.988 53.916 53.050 -0.204 0.000 0.760 956 N CB -1.135 37.332 38.487 -0.033 0.000 1.108 956 N HN 0.773 nan 8.380 nan 0.000 0.555 957 Q N 0.702 120.224 119.800 -0.464 0.000 2.259 957 Q HA 0.322 4.649 4.340 -0.022 0.000 0.246 957 Q C 0.317 176.177 176.000 -0.233 0.000 0.920 957 Q CA -0.575 55.102 55.803 -0.211 0.000 0.895 957 Q CB 1.091 29.842 28.738 0.023 0.000 1.220 957 Q HN 0.284 nan 8.270 nan 0.000 0.439 958 R N 3.494 123.937 120.500 -0.094 0.000 2.490 958 R HA 0.288 4.615 4.340 -0.022 0.000 0.278 958 R C -1.040 175.220 176.300 -0.066 0.000 1.069 958 R CA -0.339 55.695 56.100 -0.110 0.000 1.080 958 R CB 0.451 30.720 30.300 -0.051 0.000 1.030 958 R HN 0.663 nan 8.270 nan 0.000 0.491 959 L N 4.748 125.869 121.223 -0.169 0.000 2.287 959 L HA 0.352 4.679 4.340 -0.022 0.000 0.280 959 L C -0.401 176.499 176.870 0.049 0.000 1.055 959 L CA -0.367 54.422 54.840 -0.086 0.000 0.863 959 L CB 1.121 42.942 42.059 -0.397 0.000 1.245 959 L HN 0.607 nan 8.230 nan 0.000 0.432 960 E N 2.051 122.344 120.200 0.155 0.000 2.179 960 E HA 0.499 4.836 4.350 -0.022 0.000 0.275 960 E C 0.694 177.413 176.600 0.199 0.000 0.945 960 E CA -0.719 55.760 56.400 0.132 0.000 0.792 960 E CB 1.901 31.653 29.700 0.087 0.000 1.125 960 E HN 0.701 nan 8.360 nan 0.000 0.397 961 G N 2.603 111.494 108.800 0.151 0.000 2.221 961 G HA2 -0.325 3.622 3.960 -0.022 0.000 0.265 961 G HA3 -0.325 3.622 3.960 -0.022 0.000 0.265 961 G C -0.274 174.735 174.900 0.182 0.000 1.041 961 G CA -0.061 45.130 45.100 0.152 0.000 0.807 961 G HN 0.551 nan 8.290 nan 0.000 0.502 962 F N 2.484 122.397 119.950 -0.062 0.000 2.516 962 F HA 0.424 4.939 4.527 -0.020 0.000 0.351 962 F C 1.463 176.992 175.800 -0.452 0.000 1.208 962 F CA 0.137 57.902 58.000 -0.393 0.000 1.073 962 F CB 0.346 39.152 39.000 -0.323 0.000 1.203 962 F HN 0.258 nan 8.300 nan 0.000 0.602 963 S N 2.523 117.619 115.700 -1.007 0.000 2.557 963 S HA 0.022 4.479 4.470 -0.022 0.000 0.223 963 S C 1.608 175.877 174.600 -0.551 0.000 0.969 963 S CA 0.291 58.187 58.200 -0.507 0.000 0.927 963 S CB -0.395 62.725 63.200 -0.133 0.000 0.806 963 S HN 0.408 nan 8.310 nan 0.000 0.489 964 V N 2.928 122.195 119.914 -1.079 0.000 2.278 964 V HA -0.139 3.968 4.120 -0.022 0.000 0.251 964 V C -0.390 175.626 176.094 -0.130 0.000 1.062 964 V CA 2.169 64.122 62.300 -0.579 0.000 1.038 964 V CB -1.902 29.450 31.823 -0.785 0.000 0.646 964 V HN 0.402 nan 8.190 nan 0.000 0.447 965 P HA -0.121 nan 4.420 nan 0.000 0.216 965 P C 1.758 179.235 177.300 0.295 0.000 1.150 965 P CA 1.361 64.619 63.100 0.263 0.000 0.837 965 P CB -0.088 31.726 31.700 0.190 0.000 0.786 966 R N -0.865 119.709 120.500 0.124 0.000 2.070 966 R HA -0.120 4.207 4.340 -0.022 0.000 0.232 966 R C 2.337 178.705 176.300 0.114 0.000 1.138 966 R CA 1.912 58.075 56.100 0.105 0.000 0.936 966 R CB -1.461 28.866 30.300 0.044 0.000 0.839 966 R HN 0.217 nan 8.270 nan 0.000 0.429 967 C N -0.104 119.251 119.300 0.092 0.000 2.375 967 C HA -0.216 4.231 4.460 -0.022 0.000 0.274 967 C C 2.409 177.482 174.990 0.139 0.000 1.190 967 C CA 0.464 59.543 59.018 0.101 0.000 1.775 967 C CB -1.320 26.484 27.740 0.107 0.000 2.067 967 C HN 0.664 nan 8.230 nan 0.000 0.463 968 W N 1.796 123.106 121.300 0.018 0.000 2.353 968 W HA -0.136 4.510 4.660 -0.023 0.000 0.319 968 W C 2.135 178.628 176.519 -0.044 0.000 1.207 968 W CA 1.885 59.242 57.345 0.019 0.000 1.291 968 W CB -0.647 28.905 29.460 0.153 0.000 1.159 968 W HN 0.397 nan 8.180 nan 0.000 0.478 969 D N -0.009 120.503 120.400 0.187 0.000 2.117 969 D HA -0.204 4.422 4.640 -0.022 0.000 0.198 969 D C 1.918 178.193 176.300 -0.042 0.000 0.982 969 D CA 1.674 55.684 54.000 0.018 0.000 0.828 969 D CB -0.347 40.486 40.800 0.054 0.000 0.967 969 D HN 0.384 nan 8.370 nan 0.000 0.464 970 E N -0.037 120.160 120.200 -0.005 0.000 2.106 970 E HA -0.153 4.184 4.350 -0.022 0.000 0.192 970 E C 2.133 178.693 176.600 -0.067 0.000 0.984 970 E CA 0.729 57.116 56.400 -0.022 0.000 0.806 970 E CB -0.010 29.692 29.700 0.004 0.000 0.750 970 E HN 0.159 nan 8.360 nan 0.000 0.458 971 C N 0.018 119.252 119.300 -0.110 0.000 2.466 971 C HA 0.039 4.486 4.460 -0.022 0.000 0.278 971 C C 2.488 177.338 174.990 -0.233 0.000 1.288 971 C CA 0.285 59.207 59.018 -0.159 0.000 1.722 971 C CB -1.082 26.550 27.740 -0.180 0.000 2.017 971 C HN 0.489 nan 8.230 nan 0.000 0.488 972 L N 0.713 121.718 121.223 -0.364 0.000 2.043 972 L HA -0.215 4.112 4.340 -0.022 0.000 0.212 972 L C 2.680 179.457 176.870 -0.153 0.000 1.075 972 L CA 1.965 56.580 54.840 -0.375 0.000 0.752 972 L CB -0.557 41.206 42.059 -0.493 0.000 0.891 972 L HN 0.377 nan 8.230 nan 0.000 0.432 973 K N -0.295 120.048 120.400 -0.096 0.000 2.007 973 K HA -0.102 4.205 4.320 -0.022 0.000 0.206 973 K C 2.356 178.937 176.600 -0.032 0.000 1.047 973 K CA 1.526 57.794 56.287 -0.031 0.000 0.937 973 K CB -0.256 32.234 32.500 -0.017 0.000 0.718 973 K HN 0.305 nan 8.250 nan 0.000 0.438 974 S N 0.781 116.454 115.700 -0.045 0.000 2.399 974 S HA -0.148 4.309 4.470 -0.022 0.000 0.231 974 S C 2.008 176.583 174.600 -0.042 0.000 1.022 974 S CA 1.497 59.674 58.200 -0.038 0.000 0.983 974 S CB -0.518 62.659 63.200 -0.039 0.000 0.803 974 S HN 0.289 nan 8.310 nan 0.000 0.480 975 S N 0.712 116.376 115.700 -0.059 0.000 2.515 975 S HA 0.026 4.483 4.470 -0.022 0.000 0.231 975 S C 0.772 175.351 174.600 -0.035 0.000 0.987 975 S CA 0.552 58.722 58.200 -0.049 0.000 0.936 975 S CB -0.898 62.267 63.200 -0.058 0.000 0.766 975 S HN 0.620 nan 8.310 nan 0.000 0.528 976 Q N -0.667 119.118 119.800 -0.026 0.000 2.453 976 Q HA -0.286 4.041 4.340 -0.022 0.000 0.294 976 Q C 0.288 176.269 176.000 -0.032 0.000 1.295 976 Q CA 0.663 56.459 55.803 -0.011 0.000 0.853 976 Q CB -2.138 26.590 28.738 -0.016 0.000 1.193 976 Q HN 0.825 nan 8.270 nan 0.000 0.461 977 Y N -0.621 119.549 120.300 -0.217 0.000 2.114 977 Y HA -0.343 4.194 4.550 -0.022 0.000 0.282 977 Y C 1.516 177.240 175.900 -0.292 0.000 1.165 977 Y CA 2.574 60.475 58.100 -0.332 0.000 1.148 977 Y CB -0.264 37.849 38.460 -0.579 0.000 0.972 977 Y HN 0.419 nan 8.280 nan 0.000 0.504 978 Y N -0.838 119.459 120.300 -0.004 0.000 2.242 978 Y HA -0.128 4.409 4.550 -0.022 0.000 0.291 978 Y C 2.603 178.427 175.900 -0.128 0.000 1.137 978 Y CA 0.876 58.939 58.100 -0.063 0.000 1.181 978 Y CB -0.606 37.880 38.460 0.043 0.000 0.989 978 Y HN 0.232 nan 8.280 nan 0.000 0.527 979 A N 0.281 123.122 122.820 0.035 0.000 1.929 979 A HA -0.120 4.187 4.320 -0.022 0.000 0.216 979 A C 2.164 179.706 177.584 -0.070 0.000 1.176 979 A CA 1.131 53.165 52.037 -0.004 0.000 0.628 979 A CB -0.348 18.657 19.000 0.008 0.000 0.816 979 A HN 0.331 nan 8.150 nan 0.000 0.444 980 R N -0.551 119.866 120.500 -0.138 0.000 2.153 980 R HA -0.017 4.310 4.340 -0.022 0.000 0.218 980 R C 2.076 178.247 176.300 -0.216 0.000 1.072 980 R CA 1.137 57.139 56.100 -0.163 0.000 0.990 980 R CB -0.204 29.992 30.300 -0.174 0.000 0.889 980 R HN 0.501 nan 8.270 nan 0.000 0.452 981 K N 0.332 120.530 120.400 -0.336 0.000 2.283 981 K HA -0.046 4.260 4.320 -0.022 0.000 0.202 981 K C 1.684 178.201 176.600 -0.139 0.000 1.048 981 K CA 1.051 57.143 56.287 -0.326 0.000 0.948 981 K CB 0.194 32.406 32.500 -0.481 0.000 0.742 981 K HN -0.016 nan 8.250 nan 0.000 0.458 982 S N 0.590 116.235 115.700 -0.090 0.000 2.404 982 S HA -0.032 4.425 4.470 -0.022 0.000 0.223 982 S C 1.355 175.945 174.600 -0.016 0.000 1.040 982 S CA 0.608 58.788 58.200 -0.033 0.000 0.957 982 S CB 0.051 63.242 63.200 -0.014 0.000 0.826 982 S HN 0.350 nan 8.310 nan 0.000 0.491 983 E N 0.873 121.058 120.200 -0.026 0.000 2.070 983 E HA -0.139 4.198 4.350 -0.022 0.000 0.197 983 E C 2.035 178.653 176.600 0.029 0.000 1.004 983 E CA 1.362 57.763 56.400 0.002 0.000 0.805 983 E CB -0.286 29.402 29.700 -0.019 0.000 0.744 983 E HN 0.206 nan 8.360 nan 0.000 0.451 984 V N 2.124 122.025 119.914 -0.020 0.000 2.255 984 V HA -0.288 3.819 4.120 -0.022 0.000 0.247 984 V C 1.682 177.815 176.094 0.066 0.000 1.051 984 V CA 2.220 64.519 62.300 -0.002 0.000 1.018 984 V CB -0.530 31.253 31.823 -0.066 0.000 0.641 984 V HN 0.240 nan 8.190 nan 0.000 0.445 985 D N -0.364 120.053 120.400 0.028 0.000 2.123 985 D HA -0.175 4.452 4.640 -0.022 0.000 0.196 985 D C 2.127 178.453 176.300 0.044 0.000 0.992 985 D CA 1.148 55.168 54.000 0.033 0.000 0.833 985 D CB -0.341 40.466 40.800 0.012 0.000 0.954 985 D HN 0.349 nan 8.370 nan 0.000 0.455 986 K N -0.144 120.285 120.400 0.049 0.000 2.032 986 K HA -0.164 4.143 4.320 -0.022 0.000 0.209 986 K C 2.170 178.809 176.600 0.066 0.000 1.048 986 K CA 0.807 57.120 56.287 0.044 0.000 0.927 986 K CB -0.431 32.096 32.500 0.045 0.000 0.712 986 K HN 0.141 nan 8.250 nan 0.000 0.441 987 F N 2.401 122.336 119.950 -0.026 0.000 2.102 987 F HA -0.234 4.281 4.527 -0.021 0.000 0.298 987 F C 1.830 177.613 175.800 -0.027 0.000 1.105 987 F CA 1.655 59.642 58.000 -0.022 0.000 1.239 987 F CB -0.222 38.767 39.000 -0.018 0.000 0.991 987 F HN 0.143 nan 8.300 nan 0.000 0.474 988 N N 0.733 119.536 118.700 0.172 0.000 2.223 988 N HA -0.159 4.568 4.740 -0.022 0.000 0.185 988 N C 1.597 177.068 175.510 -0.064 0.000 1.016 988 N CA 1.343 54.427 53.050 0.057 0.000 0.863 988 N CB -0.378 38.156 38.487 0.078 0.000 0.983 988 N HN 0.400 nan 8.380 nan 0.000 0.429 989 K N 0.797 121.160 120.400 -0.061 0.000 2.057 989 K HA -0.062 4.245 4.320 -0.022 0.000 0.206 989 K C 1.625 178.146 176.600 -0.132 0.000 1.050 989 K CA 1.058 57.293 56.287 -0.087 0.000 0.935 989 K CB -0.028 32.439 32.500 -0.055 0.000 0.715 989 K HN 0.244 nan 8.250 nan 0.000 0.439 990 E N 0.187 120.283 120.200 -0.173 0.000 2.358 990 E HA 0.033 4.370 4.350 -0.022 0.000 0.195 990 E C -0.062 176.378 176.600 -0.268 0.000 1.010 990 E CA 0.325 56.601 56.400 -0.207 0.000 0.856 990 E CB 0.265 29.835 29.700 -0.218 0.000 0.795 990 E HN 0.180 nan 8.360 nan 0.000 0.504 991 N N -0.600 117.893 118.700 -0.346 0.000 2.346 991 N HA 0.092 4.819 4.740 -0.022 0.000 0.289 991 N C -0.698 174.665 175.510 -0.245 0.000 1.027 991 N CA -0.211 52.626 53.050 -0.355 0.000 0.864 991 N CB 1.903 39.980 38.487 -0.684 0.000 1.370 991 N HN 0.008 nan 8.380 nan 0.000 0.481 992 C N 1.831 120.996 119.300 -0.226 0.000 2.558 992 C HA 0.269 4.716 4.460 -0.022 0.000 0.288 992 C C 1.019 175.728 174.990 -0.468 0.000 1.338 992 C CA -0.190 58.573 59.018 -0.425 0.000 1.760 992 C CB -0.576 26.845 27.740 -0.532 0.000 2.159 992 C HN 0.874 nan 8.230 nan 0.000 0.518 993 W N 1.279 122.639 121.300 0.100 0.000 2.870 993 W HA 0.397 5.044 4.660 -0.022 0.000 0.358 993 W C 0.415 176.994 176.519 0.100 0.000 1.043 993 W CA -0.334 57.084 57.345 0.121 0.000 1.692 993 W CB 0.382 29.887 29.460 0.075 0.000 1.100 993 W HN -0.014 nan 8.180 nan 0.000 0.557 994 K N 1.278 121.833 120.400 0.257 0.000 2.422 994 K HA 0.485 4.792 4.320 -0.022 0.000 0.251 994 K C -0.288 176.498 176.600 0.311 0.000 0.933 994 K CA -0.933 55.520 56.287 0.276 0.000 0.798 994 K CB 2.599 35.298 32.500 0.331 0.000 1.238 994 K HN -0.417 nan 8.250 nan 0.000 0.428 995 K N 1.946 122.524 120.400 0.297 0.000 2.480 995 K HA 0.515 4.822 4.320 -0.022 0.000 0.258 995 K C -0.629 176.073 176.600 0.170 0.000 0.990 995 K CA -0.871 55.588 56.287 0.286 0.000 0.857 995 K CB 2.441 35.027 32.500 0.144 0.000 1.384 995 K HN 0.528 nan 8.250 nan 0.000 0.446 996 R N -0.433 120.127 120.500 0.100 0.000 2.778 996 R HA 0.702 5.029 4.340 -0.022 0.000 0.277 996 R C -0.190 176.096 176.300 -0.024 0.000 0.977 996 R CA -0.960 55.094 56.100 -0.077 0.000 0.950 996 R CB 2.077 32.199 30.300 -0.295 0.000 1.165 996 R HN 0.769 nan 8.270 nan 0.000 0.474 997 G N 1.055 109.828 108.800 -0.045 0.000 2.571 997 G HA2 0.624 4.571 3.960 -0.022 0.000 0.304 997 G HA3 0.624 4.571 3.960 -0.022 0.000 0.304 997 G C -2.007 172.875 174.900 -0.030 0.000 1.314 997 G CA -0.402 44.687 45.100 -0.018 0.000 0.975 997 G HN 0.338 nan 8.290 nan 0.000 0.485 998 L N 0.822 122.040 121.223 -0.009 0.000 2.464 998 L HA 0.796 5.123 4.340 -0.022 0.000 0.266 998 L C -1.110 175.814 176.870 0.090 0.000 0.965 998 L CA -0.535 54.304 54.840 -0.001 0.000 0.833 998 L CB 1.888 43.884 42.059 -0.104 0.000 1.296 998 L HN 0.741 nan 8.230 nan 0.000 0.405 999 C N 5.290 124.666 119.300 0.127 0.000 2.782 999 C HA 0.672 5.119 4.460 -0.022 0.000 0.328 999 C C -0.949 174.100 174.990 0.098 0.000 1.145 999 C CA -0.836 58.275 59.018 0.154 0.000 1.358 999 C CB 1.081 28.920 27.740 0.164 0.000 1.841 999 C HN 0.876 nan 8.230 nan 0.000 0.477 1000 I N 5.820 126.389 120.570 -0.002 0.000 2.389 1000 I HA 0.726 4.882 4.170 -0.022 0.000 0.288 1000 I C -1.062 175.047 176.117 -0.013 0.000 0.999 1000 I CA -0.367 60.816 61.300 -0.195 0.000 1.129 1000 I CB 0.868 38.425 38.000 -0.737 0.000 1.288 1000 I HN 0.674 nan 8.210 nan 0.000 0.444 1001 I N 10.170 130.795 120.570 0.092 0.000 2.533 1001 I HA 0.600 4.757 4.170 -0.022 0.000 0.290 1001 I C -2.466 173.850 176.117 0.331 0.000 1.056 1001 I CA -2.022 59.418 61.300 0.233 0.000 1.057 1001 I CB 2.659 40.727 38.000 0.114 0.000 1.240 1001 I HN 0.395 nan 8.210 nan 0.000 0.423 1002 P HA 0.434 nan 4.420 nan 0.000 0.285 1002 P C -1.150 176.340 177.300 0.318 0.000 1.280 1002 P CA -0.531 62.787 63.100 0.363 0.000 0.862 1002 P CB 2.067 33.916 31.700 0.248 0.000 1.153 1003 T N -0.734 113.999 114.554 0.298 0.000 2.932 1003 T HA 0.526 4.863 4.350 -0.022 0.000 0.318 1003 T C -1.501 173.393 174.700 0.323 0.000 1.265 1003 T CA -0.721 61.571 62.100 0.319 0.000 1.036 1003 T CB 0.973 70.119 68.868 0.464 0.000 1.209 1003 T HN 0.610 nan 8.240 nan 0.000 0.484 1004 K N 2.396 122.989 120.400 0.321 0.000 2.375 1004 K HA 0.748 5.055 4.320 -0.022 0.000 0.249 1004 K C -1.872 174.950 176.600 0.371 0.000 0.942 1004 K CA -0.884 55.610 56.287 0.345 0.000 0.806 1004 K CB 2.091 34.846 32.500 0.424 0.000 1.227 1004 K HN 0.453 nan 8.250 nan 0.000 0.430 1005 F N 1.132 121.159 119.950 0.129 0.000 2.536 1005 F HA 0.429 4.944 4.527 -0.021 0.000 0.322 1005 F C -0.197 175.581 175.800 -0.038 0.000 1.144 1005 F CA -0.327 57.741 58.000 0.115 0.000 0.924 1005 F CB 2.043 41.010 39.000 -0.055 0.000 1.181 1005 F HN 0.820 nan 8.300 nan 0.000 0.438 1006 G N 6.829 115.288 108.800 -0.568 0.000 2.354 1006 G HA2 0.369 4.316 3.960 -0.022 0.000 0.266 1006 G HA3 0.369 4.316 3.960 -0.022 0.000 0.266 1006 G C -0.509 173.621 174.900 -1.283 0.000 1.242 1006 G CA -0.453 43.691 45.100 -1.592 0.000 0.923 1006 G HN 0.493 nan 8.290 nan 0.000 0.476 1007 I N 1.989 122.025 120.570 -0.889 0.000 2.301 1007 I HA 0.419 4.576 4.170 -0.022 0.000 0.292 1007 I C 0.406 176.351 176.117 -0.288 0.000 1.046 1007 I CA 0.049 60.990 61.300 -0.597 0.000 1.282 1007 I CB -0.274 37.125 38.000 -1.002 0.000 1.409 1007 I HN 0.358 nan 8.210 nan 0.000 0.484 1008 S N 4.773 120.401 115.700 -0.120 0.000 2.816 1008 S HA 0.228 4.685 4.470 -0.022 0.000 0.282 1008 S C -0.613 173.967 174.600 -0.034 0.000 0.867 1008 S CA -0.893 57.287 58.200 -0.033 0.000 0.886 1008 S CB 0.256 63.465 63.200 0.015 0.000 1.115 1008 S HN 0.267 nan 8.310 nan 0.000 0.485 1009 F N 2.070 121.966 119.950 -0.090 0.000 2.595 1009 F HA 0.135 4.649 4.527 -0.022 0.000 0.359 1009 F C 2.338 178.084 175.800 -0.091 0.000 1.147 1009 F CA 0.984 58.915 58.000 -0.116 0.000 1.341 1009 F CB 0.579 39.477 39.000 -0.171 0.000 1.104 1009 F HN 0.761 nan 8.300 nan 0.000 0.603 1010 T N -1.792 112.853 114.554 0.152 0.000 3.088 1010 T HA 0.094 4.431 4.350 -0.022 0.000 0.259 1010 T C 0.400 175.150 174.700 0.083 0.000 1.122 1010 T CA 0.084 62.239 62.100 0.093 0.000 1.095 1010 T CB -0.390 68.653 68.868 0.292 0.000 0.930 1010 T HN 0.174 nan 8.240 nan 0.000 0.508 1011 V N 4.179 124.114 119.914 0.036 0.000 2.368 1011 V HA 0.230 4.337 4.120 -0.022 0.000 0.266 1011 V C -1.324 174.631 176.094 -0.232 0.000 1.045 1011 V CA -1.643 60.568 62.300 -0.148 0.000 0.899 1011 V CB 1.251 32.841 31.823 -0.388 0.000 1.006 1011 V HN 0.185 nan 8.190 nan 0.000 0.470 1012 P HA -0.169 nan 4.420 nan 0.000 0.216 1012 P C 1.494 178.746 177.300 -0.080 0.000 1.150 1012 P CA 1.158 64.214 63.100 -0.073 0.000 0.837 1012 P CB -0.014 31.684 31.700 -0.003 0.000 0.786 1013 F N -1.266 118.648 119.950 -0.060 0.000 2.641 1013 F HA 0.045 4.558 4.527 -0.022 0.000 0.298 1013 F C 1.327 177.023 175.800 -0.173 0.000 1.146 1013 F CA 0.720 58.666 58.000 -0.089 0.000 1.464 1013 F CB -1.586 37.378 39.000 -0.059 0.000 1.101 1013 F HN -0.175 nan 8.300 nan 0.000 0.585 1014 L N 0.481 121.435 121.223 -0.449 0.000 2.567 1014 L HA 0.110 4.437 4.340 -0.022 0.000 0.225 1014 L C 0.801 177.335 176.870 -0.560 0.000 1.119 1014 L CA 0.097 54.533 54.840 -0.674 0.000 0.871 1014 L CB -0.525 40.706 42.059 -1.380 0.000 1.036 1014 L HN 0.106 nan 8.230 nan 0.000 0.459 1015 N N 2.421 120.971 118.700 -0.249 0.000 3.111 1015 N HA 0.037 4.764 4.740 -0.022 0.000 0.302 1015 N C -0.340 175.039 175.510 -0.218 0.000 1.317 1015 N CA 0.109 53.085 53.050 -0.124 0.000 1.151 1015 N CB 0.243 38.685 38.487 -0.075 0.000 1.456 1015 N HN 0.536 nan 8.380 nan 0.000 0.547 1016 Q N -0.891 118.765 119.800 -0.241 0.000 2.421 1016 Q HA 0.827 5.154 4.340 -0.022 0.000 0.280 1016 Q C -1.744 174.024 176.000 -0.388 0.000 1.085 1016 Q CA -1.251 54.337 55.803 -0.358 0.000 0.807 1016 Q CB 2.441 31.098 28.738 -0.136 0.000 1.405 1016 Q HN 0.040 nan 8.270 nan 0.000 0.419 1017 A N 0.709 123.147 122.820 -0.636 0.000 2.513 1017 A HA 0.793 5.100 4.320 -0.022 0.000 0.296 1017 A C -0.826 176.607 177.584 -0.251 0.000 1.052 1017 A CA -0.123 51.695 52.037 -0.365 0.000 0.714 1017 A CB 1.650 20.325 19.000 -0.542 0.000 1.279 1017 A HN 0.936 nan 8.150 nan 0.000 0.397 1018 G N -0.066 108.863 108.800 0.215 0.000 2.454 1018 G HA2 0.907 4.854 3.960 -0.022 0.000 0.329 1018 G HA3 0.907 4.854 3.960 -0.022 0.000 0.329 1018 G C -0.334 174.753 174.900 0.310 0.000 1.177 1018 G CA -0.019 45.285 45.100 0.340 0.000 0.951 1018 G HN 1.959 nan 8.290 nan 0.000 0.485 1019 A N -0.333 122.631 122.820 0.239 0.000 2.566 1019 A HA 0.826 5.133 4.320 -0.022 0.000 0.292 1019 A C -1.847 175.793 177.584 0.094 0.000 1.112 1019 A CA -0.622 51.517 52.037 0.170 0.000 0.707 1019 A CB 2.160 21.256 19.000 0.160 0.000 1.302 1019 A HN 1.563 nan 8.150 nan 0.000 0.409 1020 L N 1.213 122.444 121.223 0.013 0.000 2.580 1020 L HA 0.737 5.064 4.340 -0.022 0.000 0.266 1020 L C -2.100 174.649 176.870 -0.202 0.000 0.955 1020 L CA -0.132 54.661 54.840 -0.078 0.000 0.886 1020 L CB 1.503 43.511 42.059 -0.085 0.000 1.263 1020 L HN 0.530 nan 8.230 nan 0.000 0.406 1021 I N 4.861 125.307 120.570 -0.206 0.000 2.465 1021 I HA 0.557 4.714 4.170 -0.022 0.000 0.291 1021 I C -0.497 175.462 176.117 -0.264 0.000 1.014 1021 I CA -0.438 60.735 61.300 -0.212 0.000 1.093 1021 I CB 1.673 39.646 38.000 -0.045 0.000 1.267 1021 I HN 0.471 nan 8.210 nan 0.000 0.431 1022 H N 4.812 123.833 119.070 -0.082 0.000 2.524 1022 H HA 0.726 5.270 4.556 -0.021 0.000 0.353 1022 H C -0.905 174.265 175.328 -0.264 0.000 1.136 1022 H CA -0.884 55.018 56.048 -0.243 0.000 1.193 1022 H CB 2.081 31.561 29.762 -0.471 0.000 1.558 1022 H HN 0.197 nan 8.280 nan 0.000 0.515 1023 V N 3.529 123.369 119.914 -0.122 0.000 2.495 1023 V HA 0.265 4.372 4.120 -0.022 0.000 0.298 1023 V C -0.488 175.478 176.094 -0.214 0.000 1.031 1023 V CA -0.852 61.421 62.300 -0.045 0.000 0.871 1023 V CB 0.872 32.773 31.823 0.129 0.000 0.988 1023 V HN 0.597 nan 8.190 nan 0.000 0.432 1024 Y N 1.340 121.696 120.300 0.095 0.000 2.458 1024 Y HA 0.295 4.831 4.550 -0.023 0.000 0.322 1024 Y C 2.002 177.870 175.900 -0.054 0.000 1.259 1024 Y CA -0.051 58.050 58.100 0.002 0.000 1.302 1024 Y CB 1.305 39.768 38.460 0.004 0.000 1.314 1024 Y HN 0.752 nan 8.280 nan 0.000 0.509 1025 T N -3.551 111.021 114.554 0.029 0.000 3.072 1025 T HA -0.144 4.193 4.350 -0.022 0.000 0.266 1025 T C 0.860 175.527 174.700 -0.055 0.000 1.127 1025 T CA 1.064 63.092 62.100 -0.119 0.000 1.107 1025 T CB -0.331 68.334 68.868 -0.338 0.000 0.910 1025 T HN 0.744 nan 8.240 nan 0.000 0.513 1026 D N 1.049 121.459 120.400 0.016 0.000 2.349 1026 D HA 0.148 4.775 4.640 -0.022 0.000 0.224 1026 D C 1.705 178.059 176.300 0.090 0.000 1.029 1026 D CA 0.630 54.649 54.000 0.031 0.000 0.879 1026 D CB -0.797 40.020 40.800 0.029 0.000 0.906 1026 D HN 0.580 nan 8.370 nan 0.000 0.528 1027 G N 0.532 109.402 108.800 0.118 0.000 2.205 1027 G HA2 -0.313 3.633 3.960 -0.022 0.000 0.261 1027 G HA3 -0.313 3.633 3.960 -0.022 0.000 0.261 1027 G C 0.407 175.605 174.900 0.497 0.000 0.980 1027 G CA 0.562 45.856 45.100 0.322 0.000 0.632 1027 G HN 0.857 nan 8.290 nan 0.000 0.533 1028 S N -0.583 115.305 115.700 0.314 0.000 2.580 1028 S HA 0.661 5.118 4.470 -0.022 0.000 0.274 1028 S C 0.017 174.823 174.600 0.343 0.000 1.329 1028 S CA 0.048 58.416 58.200 0.281 0.000 1.036 1028 S CB 2.285 65.604 63.200 0.199 0.000 0.919 1028 S HN 1.143 nan 8.310 nan 0.000 0.515 1029 V N 3.509 123.587 119.914 0.272 0.000 2.540 1029 V HA 0.527 4.633 4.120 -0.022 0.000 0.302 1029 V C -0.705 175.525 176.094 0.228 0.000 1.035 1029 V CA -0.823 61.608 62.300 0.218 0.000 0.873 1029 V CB 1.333 33.239 31.823 0.140 0.000 0.992 1029 V HN 0.886 nan 8.190 nan 0.000 0.428 1030 L N 6.317 127.666 121.223 0.210 0.000 2.298 1030 L HA 0.660 4.987 4.340 -0.022 0.000 0.284 1030 L C -0.377 176.505 176.870 0.020 0.000 1.013 1030 L CA 0.010 54.968 54.840 0.197 0.000 0.824 1030 L CB 1.644 43.913 42.059 0.351 0.000 1.221 1030 L HN 0.466 nan 8.230 nan 0.000 0.418 1031 V N 3.751 123.657 119.914 -0.013 0.000 2.509 1031 V HA 0.657 4.764 4.120 -0.022 0.000 0.284 1031 V C 0.146 176.179 176.094 -0.102 0.000 1.047 1031 V CA -0.359 61.910 62.300 -0.051 0.000 0.952 1031 V CB 1.508 33.329 31.823 -0.002 0.000 0.988 1031 V HN 0.846 nan 8.190 nan 0.000 0.469 1032 S N 4.043 119.683 115.700 -0.101 0.000 2.614 1032 S HA 0.615 5.072 4.470 -0.022 0.000 0.288 1032 S C -0.812 173.749 174.600 -0.066 0.000 1.137 1032 S CA -0.741 57.365 58.200 -0.156 0.000 0.992 1032 S CB 0.690 63.804 63.200 -0.145 0.000 1.026 1032 S HN 1.030 nan 8.310 nan 0.000 0.486 1033 H N 1.510 120.508 119.070 -0.120 0.000 2.869 1033 H HA 0.566 5.110 4.556 -0.019 0.000 0.342 1033 H C 0.875 176.064 175.328 -0.231 0.000 1.250 1033 H CA -0.544 55.438 56.048 -0.110 0.000 1.217 1033 H CB 1.161 30.871 29.762 -0.086 0.000 1.917 1033 H HN 0.652 nan 8.280 nan 0.000 0.586 1034 G N -0.538 108.113 108.800 -0.248 0.000 2.712 1034 G HA2 0.148 4.095 3.960 -0.022 0.000 0.212 1034 G HA3 0.148 4.095 3.960 -0.022 0.000 0.212 1034 G C 0.674 175.263 174.900 -0.519 0.000 1.142 1034 G CA 0.284 45.236 45.100 -0.248 0.000 0.789 1034 G HN 0.807 nan 8.290 nan 0.000 0.535 1035 G N -0.078 108.086 108.800 -1.061 0.000 2.476 1035 G HA2 0.473 4.420 3.960 -0.022 0.000 0.286 1035 G HA3 0.473 4.420 3.960 -0.022 0.000 0.286 1035 G C -0.099 174.659 174.900 -0.236 0.000 1.177 1035 G CA 0.232 44.992 45.100 -0.566 0.000 0.870 1035 G HN 0.348 nan 8.290 nan 0.000 0.528 1036 T N -1.606 112.866 114.554 -0.138 0.000 2.856 1036 T HA 0.528 4.865 4.350 -0.022 0.000 0.283 1036 T C -0.480 174.071 174.700 -0.249 0.000 1.008 1036 T CA -0.813 61.191 62.100 -0.160 0.000 0.997 1036 T CB 2.283 71.082 68.868 -0.113 0.000 0.992 1036 T HN 0.410 nan 8.240 nan 0.000 0.454 1037 E N 2.665 122.628 120.200 -0.394 0.000 2.180 1037 E HA 0.320 4.657 4.350 -0.022 0.000 0.283 1037 E C 0.485 176.991 176.600 -0.156 0.000 1.061 1037 E CA -0.515 55.669 56.400 -0.359 0.000 0.861 1037 E CB 0.427 29.854 29.700 -0.455 0.000 1.056 1037 E HN 0.757 nan 8.360 nan 0.000 0.407 1038 M N 2.376 121.901 119.600 -0.126 0.000 2.502 1038 M HA 0.480 4.947 4.480 -0.022 0.000 0.351 1038 M C 0.853 177.097 176.300 -0.094 0.000 1.118 1038 M CA 0.058 55.277 55.300 -0.134 0.000 0.952 1038 M CB 0.753 33.213 32.600 -0.232 0.000 1.424 1038 M HN 0.531 nan 8.290 nan 0.000 0.529 1039 G N 1.659 110.470 108.800 0.017 0.000 2.192 1039 G HA2 -0.231 3.716 3.960 -0.022 0.000 0.193 1039 G HA3 -0.231 3.716 3.960 -0.022 0.000 0.193 1039 G C 0.802 175.792 174.900 0.151 0.000 0.999 1039 G CA 0.343 45.504 45.100 0.101 0.000 0.659 1039 G HN 0.584 nan 8.290 nan 0.000 0.503 1040 Q N 1.340 121.180 119.800 0.067 0.000 2.451 1040 Q HA 0.326 4.653 4.340 -0.022 0.000 0.206 1040 Q C 1.597 177.618 176.000 0.035 0.000 0.947 1040 Q CA 1.383 57.218 55.803 0.052 0.000 0.937 1040 Q CB -0.276 28.467 28.738 0.008 0.000 1.025 1040 Q HN 1.901 nan 8.270 nan 0.000 0.511 1041 G N 1.827 110.622 108.800 -0.008 0.000 2.160 1041 G HA2 -0.293 3.654 3.960 -0.022 0.000 0.244 1041 G HA3 -0.293 3.654 3.960 -0.022 0.000 0.244 1041 G C 0.378 175.173 174.900 -0.176 0.000 1.022 1041 G CA 0.369 45.337 45.100 -0.221 0.000 0.741 1041 G HN 0.366 nan 8.290 nan 0.000 0.508 1042 L N 0.259 121.394 121.223 -0.147 0.000 1.990 1042 L HA -0.069 4.257 4.340 -0.022 0.000 0.213 1042 L C 2.582 179.427 176.870 -0.042 0.000 1.072 1042 L CA 3.070 57.847 54.840 -0.105 0.000 0.755 1042 L CB -0.551 41.443 42.059 -0.107 0.000 0.889 1042 L HN 0.437 nan 8.230 nan 0.000 0.432 1043 H N -1.029 118.001 119.070 -0.067 0.000 2.387 1043 H HA -0.069 4.472 4.556 -0.025 0.000 0.299 1043 H C 2.170 177.436 175.328 -0.102 0.000 1.090 1043 H CA 1.744 57.768 56.048 -0.039 0.000 1.332 1043 H CB -0.862 28.860 29.762 -0.067 0.000 1.386 1043 H HN 0.375 nan 8.280 nan 0.000 0.516 1044 T N 0.950 115.465 114.554 -0.066 0.000 2.684 1044 T HA -0.120 4.217 4.350 -0.022 0.000 0.267 1044 T C 1.986 176.663 174.700 -0.039 0.000 1.036 1044 T CA 1.449 63.496 62.100 -0.089 0.000 1.148 1044 T CB 0.051 68.807 68.868 -0.186 0.000 0.863 1044 T HN 0.373 nan 8.240 nan 0.000 0.436 1045 K N 0.303 120.678 120.400 -0.041 0.000 2.103 1045 K HA 0.098 4.405 4.320 -0.022 0.000 0.204 1045 K C 2.264 178.858 176.600 -0.009 0.000 1.052 1045 K CA 0.784 57.060 56.287 -0.018 0.000 0.945 1045 K CB -0.118 32.369 32.500 -0.020 0.000 0.722 1045 K HN 0.185 nan 8.250 nan 0.000 0.443 1046 M N 0.524 120.107 119.600 -0.030 0.000 2.279 1046 M HA -0.111 4.356 4.480 -0.022 0.000 0.264 1046 M C 2.098 178.397 176.300 -0.001 0.000 1.062 1046 M CA 1.271 56.543 55.300 -0.048 0.000 1.099 1046 M CB -0.572 31.945 32.600 -0.139 0.000 1.394 1046 M HN -0.067 nan 8.290 nan 0.000 0.426 1047 V N -0.353 119.564 119.914 0.006 0.000 2.535 1047 V HA -0.183 3.924 4.120 -0.022 0.000 0.246 1047 V C 2.285 178.387 176.094 0.012 0.000 1.045 1047 V CA 1.138 63.443 62.300 0.007 0.000 1.058 1047 V CB -0.469 31.357 31.823 0.004 0.000 0.689 1047 V HN 0.482 nan 8.190 nan 0.000 0.461 1048 Q N -0.570 119.240 119.800 0.017 0.000 2.119 1048 Q HA -0.139 4.188 4.340 -0.022 0.000 0.201 1048 Q C 2.320 178.355 176.000 0.060 0.000 0.972 1048 Q CA 1.538 57.353 55.803 0.021 0.000 0.847 1048 Q CB -0.194 28.554 28.738 0.016 0.000 0.903 1048 Q HN 0.523 nan 8.270 nan 0.000 0.433 1049 V N 0.989 120.965 119.914 0.104 0.000 2.244 1049 V HA -0.263 3.844 4.120 -0.022 0.000 0.244 1049 V C 2.324 178.519 176.094 0.169 0.000 1.042 1049 V CA 1.858 64.287 62.300 0.215 0.000 1.006 1049 V CB -1.059 30.855 31.823 0.153 0.000 0.641 1049 V HN 0.392 nan 8.190 nan 0.000 0.446 1050 A N -0.342 122.526 122.820 0.081 0.000 1.873 1050 A HA -0.305 4.002 4.320 -0.022 0.000 0.218 1050 A C 2.582 180.168 177.584 0.002 0.000 1.193 1050 A CA 2.647 54.707 52.037 0.038 0.000 0.629 1050 A CB -1.077 17.930 19.000 0.012 0.000 0.826 1050 A HN 0.515 nan 8.150 nan 0.000 0.447 1051 S N -0.543 115.147 115.700 -0.016 0.000 2.383 1051 S HA -0.243 4.214 4.470 -0.022 0.000 0.229 1051 S C 2.084 176.662 174.600 -0.038 0.000 1.030 1051 S CA 2.199 60.363 58.200 -0.060 0.000 1.002 1051 S CB -0.301 62.868 63.200 -0.052 0.000 0.829 1051 S HN 0.598 nan 8.310 nan 0.000 0.467 1052 K N 1.079 121.489 120.400 0.016 0.000 2.031 1052 K HA 0.202 4.509 4.320 -0.022 0.000 0.205 1052 K C 2.028 178.669 176.600 0.069 0.000 1.049 1052 K CA 1.436 57.728 56.287 0.008 0.000 0.939 1052 K CB -0.786 31.692 32.500 -0.036 0.000 0.717 1052 K HN 0.320 nan 8.250 nan 0.000 0.438 1053 A N 0.194 123.101 122.820 0.145 0.000 2.016 1053 A HA 0.071 4.378 4.320 -0.022 0.000 0.217 1053 A C 1.958 179.554 177.584 0.020 0.000 1.162 1053 A CA 0.990 53.105 52.037 0.130 0.000 0.662 1053 A CB -0.344 18.726 19.000 0.117 0.000 0.812 1053 A HN 0.320 nan 8.150 nan 0.000 0.450 1054 L N -1.962 119.249 121.223 -0.020 0.000 2.477 1054 L HA 0.104 4.431 4.340 -0.022 0.000 0.220 1054 L C 0.190 177.019 176.870 -0.068 0.000 1.106 1054 L CA 0.212 55.015 54.840 -0.062 0.000 0.851 1054 L CB -0.004 41.929 42.059 -0.211 0.000 0.994 1054 L HN 0.297 nan 8.230 nan 0.000 0.462 1055 K N 1.230 121.599 120.400 -0.052 0.000 3.125 1055 K HA -0.175 4.132 4.320 -0.022 0.000 0.268 1055 K C -0.398 176.143 176.600 -0.100 0.000 1.078 1055 K CA 0.685 56.955 56.287 -0.028 0.000 0.775 1055 K CB -1.855 30.684 32.500 0.065 0.000 1.253 1055 K HN 0.516 nan 8.250 nan 0.000 0.486 1056 I N -4.241 116.195 120.570 -0.224 0.000 2.892 1056 I HA 0.679 4.836 4.170 -0.022 0.000 0.306 1056 I C -2.540 173.459 176.117 -0.196 0.000 1.078 1056 I CA -3.158 57.958 61.300 -0.307 0.000 1.032 1056 I CB 2.288 39.871 38.000 -0.695 0.000 1.229 1056 I HN -0.282 nan 8.210 nan 0.000 0.435 1057 P HA 0.183 nan 4.420 nan 0.000 0.270 1057 P C 1.099 178.346 177.300 -0.088 0.000 1.223 1057 P CA -0.236 62.808 63.100 -0.092 0.000 0.785 1057 P CB 0.658 32.321 31.700 -0.063 0.000 0.923 1058 I N -0.301 120.238 120.570 -0.051 0.000 2.454 1058 I HA -0.221 3.936 4.170 -0.022 0.000 0.254 1058 I C 1.678 177.792 176.117 -0.005 0.000 1.156 1058 I CA 1.970 63.254 61.300 -0.026 0.000 1.433 1058 I CB -1.216 36.779 38.000 -0.007 0.000 1.082 1058 I HN 0.238 nan 8.210 nan 0.000 0.432 1059 S N 0.961 116.655 115.700 -0.009 0.000 2.507 1059 S HA -0.065 4.391 4.470 -0.022 0.000 0.235 1059 S C 1.743 176.346 174.600 0.004 0.000 0.988 1059 S CA 0.632 58.836 58.200 0.005 0.000 0.944 1059 S CB -0.501 62.696 63.200 -0.004 0.000 0.762 1059 S HN 0.578 nan 8.310 nan 0.000 0.526 1060 K N 0.186 120.574 120.400 -0.020 0.000 2.426 1060 K HA 0.353 4.660 4.320 -0.022 0.000 0.193 1060 K C -0.074 176.546 176.600 0.033 0.000 1.028 1060 K CA 0.249 56.528 56.287 -0.012 0.000 1.047 1060 K CB 0.088 32.530 32.500 -0.096 0.000 0.821 1060 K HN 0.461 nan 8.250 nan 0.000 0.513 1061 I N -0.013 120.585 120.570 0.046 0.000 2.603 1061 I HA 0.272 4.429 4.170 -0.022 0.000 0.300 1061 I C -1.129 175.101 176.117 0.187 0.000 1.017 1061 I CA -1.277 60.073 61.300 0.084 0.000 1.098 1061 I CB 1.508 39.521 38.000 0.021 0.000 1.279 1061 I HN -0.155 nan 8.210 nan 0.000 0.437 1062 Y N 5.619 125.929 120.300 0.016 0.000 2.479 1062 Y HA 0.618 5.153 4.550 -0.025 0.000 0.338 1062 Y C -1.418 174.466 175.900 -0.026 0.000 1.055 1062 Y CA -0.979 57.122 58.100 0.001 0.000 1.023 1062 Y CB 1.598 40.069 38.460 0.018 0.000 1.287 1062 Y HN 0.323 nan 8.280 nan 0.000 0.447 1063 I N 4.557 124.754 120.570 -0.622 0.000 2.389 1063 I HA 0.287 4.444 4.170 -0.022 0.000 0.288 1063 I C 0.461 175.971 176.117 -1.011 0.000 0.999 1063 I CA -0.341 60.559 61.300 -0.666 0.000 1.129 1063 I CB 2.043 39.672 38.000 -0.618 0.000 1.288 1063 I HN 0.701 nan 8.210 nan 0.000 0.444 1064 S N 4.964 120.282 115.700 -0.636 0.000 2.398 1064 S HA 0.131 4.588 4.470 -0.022 0.000 0.220 1064 S C 0.394 174.851 174.600 -0.237 0.000 1.046 1064 S CA 0.621 58.603 58.200 -0.363 0.000 0.953 1064 S CB 0.288 63.464 63.200 -0.041 0.000 0.856 1064 S HN 0.838 nan 8.310 nan 0.000 0.506 1065 E N -1.161 118.897 120.200 -0.235 0.000 2.402 1065 E HA 0.327 4.664 4.350 -0.022 0.000 0.270 1065 E C -1.702 174.783 176.600 -0.192 0.000 1.131 1065 E CA -0.909 55.403 56.400 -0.146 0.000 0.884 1065 E CB 0.724 30.394 29.700 -0.050 0.000 1.564 1065 E HN -0.008 nan 8.360 nan 0.000 0.456 1066 T N 1.222 115.700 114.554 -0.127 0.000 2.771 1066 T HA 0.601 4.938 4.350 -0.022 0.000 0.281 1066 T C -0.894 173.737 174.700 -0.115 0.000 0.982 1066 T CA -0.409 61.595 62.100 -0.160 0.000 0.978 1066 T CB 1.024 69.803 68.868 -0.147 0.000 0.930 1066 T HN 0.550 nan 8.240 nan 0.000 0.447 1067 S N 0.607 116.240 115.700 -0.112 0.000 2.556 1067 S HA 0.437 4.894 4.470 -0.022 0.000 0.271 1067 S C 0.974 175.530 174.600 -0.073 0.000 1.135 1067 S CA -0.866 57.279 58.200 -0.091 0.000 0.858 1067 S CB 1.387 64.538 63.200 -0.082 0.000 1.114 1067 S HN 0.641 nan 8.310 nan 0.000 0.468 1068 T N -0.978 113.534 114.554 -0.071 0.000 3.118 1068 T HA -0.038 4.299 4.350 -0.022 0.000 0.260 1068 T C 1.197 175.877 174.700 -0.035 0.000 1.139 1068 T CA 0.978 63.048 62.100 -0.051 0.000 1.085 1068 T CB -0.717 68.118 68.868 -0.056 0.000 0.934 1068 T HN 0.730 nan 8.240 nan 0.000 0.518 1069 N N 1.727 120.406 118.700 -0.035 0.000 2.373 1069 N HA -0.049 4.678 4.740 -0.022 0.000 0.181 1069 N C 1.578 177.091 175.510 0.004 0.000 1.082 1069 N CA 1.142 54.182 53.050 -0.016 0.000 0.885 1069 N CB -0.566 37.911 38.487 -0.017 0.000 0.977 1069 N HN 0.609 nan 8.380 nan 0.000 0.462 1070 T N -2.665 111.888 114.554 -0.002 0.000 3.021 1070 T HA 0.246 4.583 4.350 -0.022 0.000 0.245 1070 T C 0.495 175.203 174.700 0.013 0.000 1.028 1070 T CA 0.101 62.209 62.100 0.013 0.000 1.139 1070 T CB -0.267 68.600 68.868 -0.001 0.000 0.884 1070 T HN -0.100 nan 8.240 nan 0.000 0.457 1071 V N 4.716 124.631 119.914 0.002 0.000 2.380 1071 V HA 0.479 4.586 4.120 -0.022 0.000 0.286 1071 V C -2.435 173.679 176.094 0.034 0.000 1.015 1071 V CA -2.035 60.287 62.300 0.036 0.000 0.834 1071 V CB 1.590 33.441 31.823 0.046 0.000 1.009 1071 V HN 0.376 nan 8.190 nan 0.000 0.428 1072 P HA 0.307 nan 4.420 nan 0.000 0.276 1072 P C -0.075 177.254 177.300 0.048 0.000 1.261 1072 P CA -0.252 62.863 63.100 0.025 0.000 0.800 1072 P CB 0.484 32.192 31.700 0.013 0.000 1.066 1073 N N -2.169 116.546 118.700 0.024 0.000 2.721 1073 N HA -0.136 4.591 4.740 -0.022 0.000 0.249 1073 N C -0.196 175.352 175.510 0.064 0.000 1.072 1073 N CA 1.054 54.122 53.050 0.031 0.000 0.710 1073 N CB -2.262 36.245 38.487 0.034 0.000 0.993 1073 N HN 0.619 nan 8.380 nan 0.000 0.547 1074 S N -1.778 113.959 115.700 0.062 0.000 2.565 1074 S HA 0.495 4.952 4.470 -0.022 0.000 0.276 1074 S C 0.635 175.271 174.600 0.060 0.000 1.326 1074 S CA -0.684 57.578 58.200 0.104 0.000 1.045 1074 S CB 1.810 65.073 63.200 0.105 0.000 0.918 1074 S HN 0.178 nan 8.310 nan 0.000 0.505 1075 S N 3.954 119.689 115.700 0.059 0.000 2.579 1075 S HA 0.309 4.766 4.470 -0.022 0.000 0.275 1075 S C -2.051 172.596 174.600 0.078 0.000 1.345 1075 S CA -0.795 57.376 58.200 -0.047 0.000 1.031 1075 S CB -0.223 62.827 63.200 -0.251 0.000 0.892 1075 S HN 0.695 nan 8.310 nan 0.000 0.529 1076 P HA -0.009 nan 4.420 nan 0.000 0.269 1076 P C -0.536 176.918 177.300 0.256 0.000 1.205 1076 P CA 0.017 63.200 63.100 0.138 0.000 0.780 1076 P CB -0.010 31.780 31.700 0.150 0.000 0.858 1077 T N 1.501 116.155 114.554 0.167 0.000 2.987 1077 T HA 0.496 4.833 4.350 -0.022 0.000 0.288 1077 T C 0.270 175.030 174.700 0.101 0.000 0.981 1077 T CA 0.251 62.452 62.100 0.168 0.000 1.031 1077 T CB -0.537 68.371 68.868 0.067 0.000 0.976 1077 T HN 0.579 nan 8.240 nan 0.000 0.612 1078 A N 2.014 124.890 122.820 0.094 0.000 2.557 1078 A HA 0.864 5.171 4.320 -0.022 0.000 0.292 1078 A C 0.626 177.944 177.584 -0.443 0.000 1.139 1078 A CA -0.315 51.661 52.037 -0.102 0.000 0.665 1078 A CB 0.192 19.173 19.000 -0.032 0.000 1.285 1078 A HN 1.427 nan 8.150 nan 0.000 0.433 1079 A N -0.899 121.599 122.820 -0.536 0.000 2.829 1079 A HA 0.005 4.312 4.320 -0.022 0.000 0.267 1079 A C 1.270 178.664 177.584 -0.317 0.000 1.370 1079 A CA 1.940 53.630 52.037 -0.578 0.000 0.900 1079 A CB -2.375 15.933 19.000 -1.152 0.000 1.044 1079 A HN 2.488 nan 8.150 nan 0.000 0.691 1080 S N -4.862 110.721 115.700 -0.195 0.000 2.981 1080 S HA -0.359 4.097 4.470 -0.022 0.000 0.274 1080 S C 1.233 175.782 174.600 -0.086 0.000 1.297 1080 S CA 2.032 60.169 58.200 -0.104 0.000 1.266 1080 S CB -2.255 60.895 63.200 -0.084 0.000 1.542 1080 S HN 2.289 nan 8.310 nan 0.000 0.674 1081 V N -1.752 118.081 119.914 -0.134 0.000 3.608 1081 V HA 0.205 4.312 4.120 -0.022 0.000 0.269 1081 V C 1.775 177.852 176.094 -0.028 0.000 1.245 1081 V CA 1.163 63.417 62.300 -0.077 0.000 1.138 1081 V CB -0.001 31.761 31.823 -0.102 0.000 0.841 1081 V HN 0.386 nan 8.190 nan 0.000 0.451 1082 S N 1.936 117.653 115.700 0.029 0.000 2.372 1082 S HA -0.239 4.218 4.470 -0.022 0.000 0.227 1082 S C 1.979 176.647 174.600 0.114 0.000 1.044 1082 S CA 2.467 60.765 58.200 0.163 0.000 1.050 1082 S CB -0.769 62.610 63.200 0.297 0.000 0.901 1082 S HN 0.774 nan 8.310 nan 0.000 0.447 1083 T N 1.969 116.552 114.554 0.049 0.000 2.881 1083 T HA -0.090 4.247 4.350 -0.022 0.000 0.270 1083 T C 1.232 175.904 174.700 -0.048 0.000 1.068 1083 T CA 1.379 63.482 62.100 0.004 0.000 1.131 1083 T CB -0.400 68.470 68.868 0.002 0.000 0.871 1083 T HN 0.352 nan 8.240 nan 0.000 0.479 1084 D N 1.247 121.618 120.400 -0.049 0.000 2.120 1084 D HA 0.023 4.650 4.640 -0.022 0.000 0.202 1084 D C 2.177 178.343 176.300 -0.223 0.000 0.972 1084 D CA 0.799 54.742 54.000 -0.096 0.000 0.837 1084 D CB -0.278 40.537 40.800 0.025 0.000 0.989 1084 D HN 0.552 nan 8.370 nan 0.000 0.469 1085 I N -2.753 117.696 120.570 -0.200 0.000 2.585 1085 I HA -0.035 4.122 4.170 -0.022 0.000 0.254 1085 I C 1.880 177.786 176.117 -0.353 0.000 1.129 1085 I CA 0.610 61.764 61.300 -0.245 0.000 1.455 1085 I CB -0.529 37.346 38.000 -0.209 0.000 1.111 1085 I HN -0.133 nan 8.210 nan 0.000 0.433 1086 Y N 2.295 122.557 120.300 -0.062 0.000 2.337 1086 Y HA 0.135 4.670 4.550 -0.025 0.000 0.293 1086 Y C 2.792 178.602 175.900 -0.151 0.000 1.123 1086 Y CA 0.901 58.944 58.100 -0.095 0.000 1.201 1086 Y CB -0.508 37.857 38.460 -0.159 0.000 1.011 1086 Y HN 0.213 nan 8.280 nan 0.000 0.545 1087 G N -0.458 108.295 108.800 -0.079 0.000 2.432 1087 G HA2 -0.281 3.666 3.960 -0.022 0.000 0.219 1087 G HA3 -0.281 3.666 3.960 -0.022 0.000 0.219 1087 G C 1.480 176.283 174.900 -0.162 0.000 1.135 1087 G CA 0.961 45.987 45.100 -0.123 0.000 0.767 1087 G HN 0.276 nan 8.290 nan 0.000 0.550 1088 Q N 0.247 119.883 119.800 -0.273 0.000 2.089 1088 Q HA 0.325 4.652 4.340 -0.022 0.000 0.195 1088 Q C 2.800 178.764 176.000 -0.058 0.000 0.963 1088 Q CA 1.433 57.028 55.803 -0.346 0.000 0.834 1088 Q CB -0.539 27.615 28.738 -0.975 0.000 0.906 1088 Q HN 0.306 nan 8.270 nan 0.000 0.452 1089 A N -0.240 122.575 122.820 -0.010 0.000 1.869 1089 A HA -0.234 4.073 4.320 -0.022 0.000 0.218 1089 A C 2.256 179.907 177.584 0.112 0.000 1.203 1089 A CA 2.111 54.208 52.037 0.100 0.000 0.638 1089 A CB -1.274 17.804 19.000 0.130 0.000 0.831 1089 A HN 0.271 nan 8.150 nan 0.000 0.450 1090 V N -1.461 118.509 119.914 0.092 0.000 2.233 1090 V HA -0.326 3.781 4.120 -0.022 0.000 0.247 1090 V C 2.342 178.481 176.094 0.075 0.000 1.050 1090 V CA 2.368 64.714 62.300 0.076 0.000 1.010 1090 V CB -1.128 30.722 31.823 0.045 0.000 0.637 1090 V HN 0.707 nan 8.190 nan 0.000 0.444 1091 Y N 1.101 121.371 120.300 -0.050 0.000 2.102 1091 Y HA -0.303 4.231 4.550 -0.027 0.000 0.280 1091 Y C 2.632 178.524 175.900 -0.013 0.000 1.178 1091 Y CA 2.327 60.393 58.100 -0.058 0.000 1.146 1091 Y CB -0.134 38.230 38.460 -0.162 0.000 0.968 1091 Y HN 0.262 nan 8.280 nan 0.000 0.504 1092 E N 0.017 120.278 120.200 0.101 0.000 2.107 1092 E HA -0.133 4.204 4.350 -0.022 0.000 0.191 1092 E C 2.418 179.014 176.600 -0.007 0.000 0.982 1092 E CA 0.990 57.420 56.400 0.050 0.000 0.809 1092 E CB -0.636 29.157 29.700 0.156 0.000 0.756 1092 E HN 0.589 nan 8.360 nan 0.000 0.459 1093 A N 0.723 123.559 122.820 0.026 0.000 1.902 1093 A HA -0.189 4.118 4.320 -0.022 0.000 0.217 1093 A C 2.575 180.156 177.584 -0.006 0.000 1.181 1093 A CA 1.434 53.486 52.037 0.025 0.000 0.623 1093 A CB -0.888 18.137 19.000 0.042 0.000 0.818 1093 A HN 0.353 nan 8.150 nan 0.000 0.443 1094 C N -0.599 118.672 119.300 -0.049 0.000 2.419 1094 C HA -0.077 4.370 4.460 -0.022 0.000 0.281 1094 C C 2.807 177.739 174.990 -0.097 0.000 1.336 1094 C CA 1.004 59.986 59.018 -0.060 0.000 1.770 1094 C CB -1.065 26.616 27.740 -0.097 0.000 1.929 1094 C HN 0.579 nan 8.230 nan 0.000 0.509 1095 Q N 0.385 120.072 119.800 -0.187 0.000 2.096 1095 Q HA -0.080 4.247 4.340 -0.022 0.000 0.197 1095 Q C 2.309 178.280 176.000 -0.048 0.000 0.964 1095 Q CA 1.660 57.363 55.803 -0.166 0.000 0.838 1095 Q CB -1.068 27.535 28.738 -0.224 0.000 0.906 1095 Q HN 0.625 nan 8.270 nan 0.000 0.444 1096 T N 2.006 116.548 114.554 -0.019 0.000 2.652 1096 T HA -0.125 4.212 4.350 -0.022 0.000 0.267 1096 T C 2.091 176.811 174.700 0.034 0.000 1.039 1096 T CA 1.275 63.384 62.100 0.015 0.000 1.153 1096 T CB -0.350 68.535 68.868 0.027 0.000 0.863 1096 T HN 0.156 nan 8.240 nan 0.000 0.428 1097 I N 0.749 121.349 120.570 0.049 0.000 2.151 1097 I HA -0.171 3.986 4.170 -0.022 0.000 0.243 1097 I C 2.312 178.491 176.117 0.103 0.000 1.080 1097 I CA 1.289 62.642 61.300 0.088 0.000 1.339 1097 I CB -0.408 37.674 38.000 0.137 0.000 1.039 1097 I HN 0.194 nan 8.210 nan 0.000 0.409 1098 L N 0.270 121.548 121.223 0.091 0.000 2.131 1098 L HA -0.196 4.131 4.340 -0.022 0.000 0.210 1098 L C 2.567 179.460 176.870 0.039 0.000 1.092 1098 L CA 1.120 56.015 54.840 0.091 0.000 0.759 1098 L CB -0.543 41.554 42.059 0.065 0.000 0.903 1098 L HN 0.252 nan 8.230 nan 0.000 0.435 1099 K N 0.170 120.584 120.400 0.024 0.000 2.062 1099 K HA -0.110 4.197 4.320 -0.022 0.000 0.205 1099 K C 2.098 178.710 176.600 0.020 0.000 1.051 1099 K CA 0.971 57.262 56.287 0.007 0.000 0.941 1099 K CB -0.262 32.241 32.500 0.005 0.000 0.719 1099 K HN 0.298 nan 8.250 nan 0.000 0.440 1100 R N 0.780 121.311 120.500 0.051 0.000 2.152 1100 R HA 0.009 4.335 4.340 -0.022 0.000 0.232 1100 R C 2.211 178.613 176.300 0.171 0.000 1.117 1100 R CA 0.777 56.933 56.100 0.093 0.000 0.981 1100 R CB -0.161 30.190 30.300 0.085 0.000 0.870 1100 R HN 0.133 nan 8.270 nan 0.000 0.451 1101 L N -0.516 120.782 121.223 0.125 0.000 2.477 1101 L HA 0.024 4.351 4.340 -0.022 0.000 0.220 1101 L C 1.930 178.822 176.870 0.035 0.000 1.106 1101 L CA 0.267 55.212 54.840 0.175 0.000 0.851 1101 L CB -0.084 42.018 42.059 0.071 0.000 0.994 1101 L HN 0.166 nan 8.230 nan 0.000 0.462 1102 E N 0.894 121.050 120.200 -0.074 0.000 2.086 1102 E HA -0.249 4.088 4.350 -0.022 0.000 0.205 1102 E C -0.748 175.686 176.600 -0.277 0.000 1.027 1102 E CA 2.030 58.322 56.400 -0.179 0.000 0.830 1102 E CB -0.583 29.042 29.700 -0.125 0.000 0.751 1102 E HN 0.335 nan 8.360 nan 0.000 0.456 1103 P HA -0.161 nan 4.420 nan 0.000 0.219 1103 P C 0.585 177.492 177.300 -0.655 0.000 1.146 1103 P CA 1.346 64.097 63.100 -0.582 0.000 0.808 1103 P CB -0.069 31.120 31.700 -0.852 0.000 0.779 1104 F N -0.269 119.575 119.950 -0.177 0.000 2.262 1104 F HA 0.114 4.627 4.527 -0.023 0.000 0.292 1104 F C 2.327 177.912 175.800 -0.359 0.000 1.081 1104 F CA 0.677 58.581 58.000 -0.160 0.000 1.355 1104 F CB -0.896 38.063 39.000 -0.068 0.000 1.069 1104 F HN -0.269 nan 8.300 nan 0.000 0.506 1105 K N 0.985 121.003 120.400 -0.636 0.000 2.034 1105 K HA -0.263 4.044 4.320 -0.022 0.000 0.214 1105 K C 2.027 178.426 176.600 -0.336 0.000 1.051 1105 K CA 1.916 57.661 56.287 -0.902 0.000 0.931 1105 K CB -0.290 31.669 32.500 -0.902 0.000 0.715 1105 K HN 0.177 nan 8.250 nan 0.000 0.446 1106 K N 0.954 121.201 120.400 -0.255 0.000 2.020 1106 K HA -0.186 4.121 4.320 -0.022 0.000 0.212 1106 K C 1.940 178.493 176.600 -0.078 0.000 1.050 1106 K CA 1.837 58.035 56.287 -0.148 0.000 0.929 1106 K CB 0.001 32.406 32.500 -0.158 0.000 0.714 1106 K HN 0.100 nan 8.250 nan 0.000 0.443 1107 K N -0.163 120.194 120.400 -0.071 0.000 2.288 1107 K HA -0.071 4.236 4.320 -0.022 0.000 0.201 1107 K C 0.741 177.383 176.600 0.069 0.000 1.048 1107 K CA 0.664 56.950 56.287 -0.003 0.000 0.956 1107 K CB 0.050 32.553 32.500 0.005 0.000 0.746 1107 K HN 0.007 nan 8.250 nan 0.000 0.461 1108 N N 0.132 118.907 118.700 0.126 0.000 2.703 1108 N HA 0.123 4.849 4.740 -0.022 0.000 0.283 1108 N C -2.295 173.429 175.510 0.357 0.000 1.851 1108 N CA -2.001 51.196 53.050 0.245 0.000 0.826 1108 N CB 0.799 39.490 38.487 0.341 0.000 1.239 1108 N HN -0.176 nan 8.380 nan 0.000 0.495 1109 P HA -0.081 nan 4.420 nan 0.000 0.217 1109 P C 0.039 177.527 177.300 0.314 0.000 1.148 1109 P CA 1.255 64.491 63.100 0.226 0.000 0.828 1109 P CB 0.462 32.229 31.700 0.112 0.000 0.783 1110 D N -0.674 119.866 120.400 0.235 0.000 2.339 1110 D HA 0.107 4.734 4.640 -0.022 0.000 0.217 1110 D C 1.444 177.820 176.300 0.126 0.000 1.050 1110 D CA 0.238 54.340 54.000 0.171 0.000 0.856 1110 D CB -0.360 40.500 40.800 0.100 0.000 0.922 1110 D HN 0.116 nan 8.370 nan 0.000 0.518 1111 G N 0.632 109.554 108.800 0.205 0.000 2.684 1111 G HA2 0.299 4.246 3.960 -0.022 0.000 0.255 1111 G HA3 0.299 4.246 3.960 -0.022 0.000 0.255 1111 G C 0.392 174.995 174.900 -0.494 0.000 1.219 1111 G CA -0.231 44.835 45.100 -0.057 0.000 0.901 1111 G HN 0.196 nan 8.290 nan 0.000 0.548 1112 S N -0.728 114.580 115.700 -0.653 0.000 2.718 1112 S HA 0.259 4.716 4.470 -0.022 0.000 0.300 1112 S C 1.000 174.963 174.600 -1.062 0.000 1.117 1112 S CA -0.598 57.199 58.200 -0.672 0.000 1.002 1112 S CB 1.365 64.389 63.200 -0.294 0.000 1.092 1112 S HN 0.832 nan 8.310 nan 0.000 0.542 1113 W N 1.503 122.287 121.300 -0.859 0.000 2.338 1113 W HA -0.200 4.455 4.660 -0.009 0.000 0.304 1113 W C 1.053 177.427 176.519 -0.241 0.000 1.212 1113 W CA 2.298 59.345 57.345 -0.495 0.000 1.264 1113 W CB -0.532 28.828 29.460 -0.167 0.000 1.142 1113 W HN 0.861 nan 8.180 nan 0.000 0.512 1114 E N 0.830 120.907 120.200 -0.205 0.000 2.077 1114 E HA -0.218 4.119 4.350 -0.022 0.000 0.193 1114 E C 1.712 178.175 176.600 -0.228 0.000 0.989 1114 E CA 1.994 58.274 56.400 -0.199 0.000 0.800 1114 E CB -0.682 28.985 29.700 -0.055 0.000 0.746 1114 E HN 0.158 nan 8.360 nan 0.000 0.452 1115 D N -0.432 119.810 120.400 -0.264 0.000 2.123 1115 D HA -0.177 4.450 4.640 -0.022 0.000 0.196 1115 D C 1.560 177.820 176.300 -0.067 0.000 0.992 1115 D CA 0.930 54.822 54.000 -0.181 0.000 0.833 1115 D CB -0.199 40.480 40.800 -0.201 0.000 0.954 1115 D HN 0.325 nan 8.370 nan 0.000 0.455 1116 W N 0.875 122.090 121.300 -0.142 0.000 2.453 1116 W HA 0.015 4.660 4.660 -0.025 0.000 0.289 1116 W C 2.318 178.627 176.519 -0.350 0.000 1.215 1116 W CA -0.039 57.208 57.345 -0.164 0.000 1.297 1116 W CB -1.224 28.167 29.460 -0.115 0.000 1.113 1116 W HN -0.139 nan 8.180 nan 0.000 0.551 1117 V N 0.841 120.590 119.914 -0.274 0.000 2.295 1117 V HA -0.335 3.772 4.120 -0.022 0.000 0.246 1117 V C 2.307 178.277 176.094 -0.208 0.000 1.049 1117 V CA 2.155 64.236 62.300 -0.365 0.000 1.024 1117 V CB -0.923 30.581 31.823 -0.531 0.000 0.648 1117 V HN 0.018 nan 8.190 nan 0.000 0.447 1118 M N 0.759 120.272 119.600 -0.144 0.000 2.117 1118 M HA -0.055 4.412 4.480 -0.022 0.000 0.262 1118 M C 2.060 178.323 176.300 -0.062 0.000 1.065 1118 M CA 2.073 57.342 55.300 -0.051 0.000 1.114 1118 M CB -0.913 31.664 32.600 -0.038 0.000 1.361 1118 M HN 0.276 nan 8.290 nan 0.000 0.408 1119 A N -0.540 122.201 122.820 -0.131 0.000 1.933 1119 A HA 0.069 4.376 4.320 -0.022 0.000 0.218 1119 A C 2.353 179.588 177.584 -0.582 0.000 1.175 1119 A CA 1.953 53.867 52.037 -0.205 0.000 0.628 1119 A CB -1.337 17.644 19.000 -0.032 0.000 0.814 1119 A HN 0.598 nan 8.150 nan 0.000 0.444 1120 A N -1.249 121.043 122.820 -0.881 0.000 1.877 1120 A HA -0.120 4.187 4.320 -0.022 0.000 0.216 1120 A C 2.163 179.479 177.584 -0.446 0.000 1.186 1120 A CA 1.718 53.091 52.037 -1.107 0.000 0.620 1120 A CB -0.879 17.686 19.000 -0.725 0.000 0.822 1120 A HN 0.767 nan 8.150 nan 0.000 0.443 1121 Y N 0.872 120.977 120.300 -0.325 0.000 2.145 1121 Y HA -0.223 4.314 4.550 -0.022 0.000 0.286 1121 Y C 2.475 178.293 175.900 -0.136 0.000 1.145 1121 Y CA 2.246 60.237 58.100 -0.181 0.000 1.148 1121 Y CB -0.264 38.115 38.460 -0.133 0.000 0.981 1121 Y HN 0.398 nan 8.280 nan 0.000 0.507 1122 Q N -0.562 119.082 119.800 -0.260 0.000 2.291 1122 Q HA -0.172 4.155 4.340 -0.022 0.000 0.205 1122 Q C 1.056 176.922 176.000 -0.225 0.000 0.970 1122 Q CA 1.621 57.264 55.803 -0.267 0.000 0.876 1122 Q CB -0.315 28.373 28.738 -0.082 0.000 0.935 1122 Q HN 0.593 nan 8.270 nan 0.000 0.455 1123 D N 0.312 120.597 120.400 -0.193 0.000 2.340 1123 D HA 0.051 4.678 4.640 -0.022 0.000 0.220 1123 D C -0.351 175.892 176.300 -0.095 0.000 1.039 1123 D CA -0.085 53.872 54.000 -0.072 0.000 0.866 1123 D CB 0.149 41.005 40.800 0.093 0.000 0.913 1123 D HN 0.069 nan 8.370 nan 0.000 0.523 1124 R N -0.855 119.518 120.500 -0.212 0.000 3.422 1124 R HA -0.145 4.182 4.340 -0.022 0.000 0.267 1124 R C -0.943 175.309 176.300 -0.080 0.000 1.074 1124 R CA -0.091 55.901 56.100 -0.180 0.000 0.718 1124 R CB -2.292 27.924 30.300 -0.139 0.000 1.157 1124 R HN 0.060 nan 8.270 nan 0.000 0.440 1125 V N 1.074 120.944 119.914 -0.073 0.000 2.407 1125 V HA 0.156 4.263 4.120 -0.022 0.000 0.278 1125 V C 0.954 177.040 176.094 -0.014 0.000 1.037 1125 V CA -0.216 62.080 62.300 -0.006 0.000 0.900 1125 V CB 1.806 33.669 31.823 0.067 0.000 0.983 1125 V HN 0.379 nan 8.190 nan 0.000 0.459 1126 S N 4.973 120.680 115.700 0.011 0.000 2.546 1126 S HA 0.190 4.647 4.470 -0.022 0.000 0.290 1126 S C 0.436 175.051 174.600 0.024 0.000 1.290 1126 S CA -0.140 58.073 58.200 0.022 0.000 1.069 1126 S CB 0.021 63.236 63.200 0.025 0.000 0.846 1126 S HN 0.597 nan 8.310 nan 0.000 0.495 1127 L N 4.269 125.506 121.223 0.023 0.000 3.017 1127 L HA 0.328 4.655 4.340 -0.022 0.000 0.255 1127 L C 0.421 177.311 176.870 0.033 0.000 1.247 1127 L CA -0.210 54.638 54.840 0.013 0.000 1.038 1127 L CB 0.469 42.516 42.059 -0.020 0.000 1.380 1127 L HN 0.564 nan 8.230 nan 0.000 0.548 1128 S N -0.466 115.272 115.700 0.064 0.000 2.557 1128 S HA 0.688 5.145 4.470 -0.022 0.000 0.291 1128 S C -0.651 174.012 174.600 0.105 0.000 1.116 1128 S CA -0.293 57.995 58.200 0.148 0.000 0.992 1128 S CB 1.992 65.305 63.200 0.187 0.000 1.028 1128 S HN 0.074 nan 8.310 nan 0.000 0.484 1129 T N 2.189 116.793 114.554 0.084 0.000 2.932 1129 T HA 0.594 4.931 4.350 -0.022 0.000 0.318 1129 T C -0.402 174.326 174.700 0.047 0.000 1.265 1129 T CA -0.314 61.823 62.100 0.061 0.000 1.036 1129 T CB 1.396 70.295 68.868 0.052 0.000 1.209 1129 T HN 0.914 nan 8.240 nan 0.000 0.484 1130 T N 1.155 115.743 114.554 0.057 0.000 2.898 1130 T HA 0.647 4.984 4.350 -0.022 0.000 0.301 1130 T C 0.578 175.335 174.700 0.096 0.000 1.049 1130 T CA -0.255 61.889 62.100 0.073 0.000 1.095 1130 T CB 0.917 69.828 68.868 0.072 0.000 0.976 1130 T HN 0.893 nan 8.240 nan 0.000 0.539 1131 G N 0.438 109.321 108.800 0.138 0.000 2.574 1131 G HA2 0.676 4.623 3.960 -0.022 0.000 0.299 1131 G HA3 0.676 4.623 3.960 -0.022 0.000 0.299 1131 G C -2.033 173.044 174.900 0.296 0.000 1.298 1131 G CA -0.926 44.280 45.100 0.176 0.000 0.952 1131 G HN 0.743 nan 8.290 nan 0.000 0.477 1132 F N 0.043 120.057 119.950 0.106 0.000 2.668 1132 F HA 0.725 5.240 4.527 -0.020 0.000 0.309 1132 F C -1.979 173.928 175.800 0.178 0.000 1.117 1132 F CA -1.063 57.007 58.000 0.116 0.000 0.951 1132 F CB 2.400 41.441 39.000 0.068 0.000 1.323 1132 F HN 0.593 nan 8.300 nan 0.000 0.451 1133 Y N 3.629 123.640 120.300 -0.481 0.000 2.482 1133 Y HA 0.655 5.195 4.550 -0.017 0.000 0.334 1133 Y C -1.536 174.040 175.900 -0.540 0.000 1.091 1133 Y CA -0.966 56.934 58.100 -0.333 0.000 1.027 1133 Y CB 1.520 39.837 38.460 -0.238 0.000 1.306 1133 Y HN 0.649 nan 8.280 nan 0.000 0.446 1134 R N 2.674 122.618 120.500 -0.928 0.000 2.589 1134 R HA 0.541 4.868 4.340 -0.022 0.000 0.293 1134 R C -0.871 174.686 176.300 -1.237 0.000 0.963 1134 R CA -0.975 54.668 56.100 -0.762 0.000 0.905 1134 R CB 1.777 31.866 30.300 -0.351 0.000 1.144 1134 R HN 0.711 nan 8.270 nan 0.000 0.459 1135 T N 4.900 118.977 114.554 -0.795 0.000 2.779 1135 T HA 0.181 4.518 4.350 -0.022 0.000 0.296 1135 T C -1.942 172.535 174.700 -0.372 0.000 0.938 1135 T CA -1.048 60.691 62.100 -0.601 0.000 1.119 1135 T CB 0.681 69.314 68.868 -0.392 0.000 0.891 1135 T HN 0.365 nan 8.240 nan 0.000 0.526 1136 P HA 0.254 nan 4.420 nan 0.000 0.282 1136 P C -0.446 176.848 177.300 -0.011 0.000 1.249 1136 P CA -0.555 62.485 63.100 -0.099 0.000 0.806 1136 P CB 0.555 32.247 31.700 -0.014 0.000 0.984 1137 N N 0.426 119.126 118.700 -0.000 0.000 2.726 1137 N HA -0.123 4.604 4.740 -0.022 0.000 0.253 1137 N C -0.864 174.665 175.510 0.031 0.000 1.059 1137 N CA 0.737 53.805 53.050 0.030 0.000 0.701 1137 N CB -1.716 36.809 38.487 0.062 0.000 0.899 1137 N HN 0.489 nan 8.380 nan 0.000 0.548 1138 L N -0.601 120.618 121.223 -0.006 0.000 2.401 1138 L HA 0.804 5.131 4.340 -0.022 0.000 0.266 1138 L C 0.695 177.555 176.870 -0.017 0.000 0.991 1138 L CA -0.772 54.054 54.840 -0.023 0.000 0.818 1138 L CB 2.284 44.309 42.059 -0.057 0.000 1.321 1138 L HN 0.313 nan 8.230 nan 0.000 0.413 1139 G N 1.694 110.488 108.800 -0.011 0.000 2.733 1139 G HA2 -0.002 3.945 3.960 -0.022 0.000 0.223 1139 G HA3 -0.002 3.945 3.960 -0.022 0.000 0.223 1139 G C -1.620 173.301 174.900 0.035 0.000 3.546 1139 G CA -0.707 44.402 45.100 0.015 0.000 0.654 1139 G HN 0.444 nan 8.290 nan 0.000 0.432 1140 Y N 2.099 122.365 120.300 -0.056 0.000 2.304 1140 Y HA 0.732 5.269 4.550 -0.022 0.000 0.327 1140 Y C 0.344 176.274 175.900 0.049 0.000 1.209 1140 Y CA -0.092 57.985 58.100 -0.038 0.000 1.299 1140 Y CB 1.857 40.244 38.460 -0.122 0.000 1.249 1140 Y HN 0.455 nan 8.280 nan 0.000 0.519 1141 S N 4.777 119.926 115.700 -0.918 0.000 2.472 1141 S HA 0.384 4.841 4.470 -0.022 0.000 0.303 1141 S C 0.082 174.174 174.600 -0.847 0.000 1.099 1141 S CA -0.634 57.209 58.200 -0.594 0.000 1.077 1141 S CB 0.359 63.378 63.200 -0.302 0.000 1.031 1141 S HN 0.736 nan 8.310 nan 0.000 0.487 1142 F N 2.120 121.926 119.950 -0.241 0.000 2.317 1142 F HA 0.166 4.680 4.527 -0.022 0.000 0.293 1142 F C 1.604 177.387 175.800 -0.029 0.000 1.085 1142 F CA 0.204 58.197 58.000 -0.012 0.000 1.390 1142 F CB -0.068 39.000 39.000 0.114 0.000 1.077 1142 F HN 0.597 nan 8.300 nan 0.000 0.517 1143 E N 0.379 120.648 120.200 0.115 0.000 2.392 1143 E HA 0.069 4.406 4.350 -0.022 0.000 0.259 1143 E C 1.063 177.631 176.600 -0.054 0.000 1.108 1143 E CA 0.948 57.368 56.400 0.033 0.000 0.916 1143 E CB 0.602 30.320 29.700 0.030 0.000 0.989 1143 E HN 0.355 nan 8.360 nan 0.000 0.432 1144 T N 0.316 114.840 114.554 -0.049 0.000 9.639 1144 T HA -0.400 3.937 4.350 -0.022 0.000 0.362 1144 T C 0.570 175.200 174.700 -0.118 0.000 1.812 1144 T CA 1.879 63.931 62.100 -0.081 0.000 2.782 1144 T CB -2.180 66.636 68.868 -0.087 0.000 2.606 1144 T HN 1.022 nan 8.240 nan 0.000 1.105 1145 N N 1.111 119.705 118.700 -0.177 0.000 2.696 1145 N HA -0.155 4.572 4.740 -0.022 0.000 0.271 1145 N C -0.306 175.145 175.510 -0.098 0.000 0.997 1145 N CA 1.940 54.898 53.050 -0.153 0.000 0.801 1145 N CB -1.233 37.280 38.487 0.043 0.000 0.913 1145 N HN 1.880 nan 8.380 nan 0.000 0.557 1146 S N -0.603 114.900 115.700 -0.327 0.000 2.587 1146 S HA 0.810 5.267 4.470 -0.022 0.000 0.269 1146 S C -0.046 174.474 174.600 -0.134 0.000 1.154 1146 S CA -0.221 57.916 58.200 -0.104 0.000 0.824 1146 S CB 1.481 64.633 63.200 -0.079 0.000 1.118 1146 S HN 1.583 nan 8.310 nan 0.000 0.462 1147 G N 1.443 110.256 108.800 0.022 0.000 3.039 1147 G HA2 -0.027 3.920 3.960 -0.022 0.000 0.686 1147 G HA3 -0.027 3.920 3.960 -0.022 0.000 0.686 1147 G C -1.050 173.927 174.900 0.128 0.000 1.066 1147 G CA -0.990 44.131 45.100 0.034 0.000 0.774 1147 G HN 0.953 nan 8.290 nan 0.000 0.591 1148 N N 0.520 119.266 118.700 0.077 0.000 2.301 1148 N HA 0.258 4.985 4.740 -0.022 0.000 0.267 1148 N C 1.416 176.876 175.510 -0.084 0.000 1.304 1148 N CA 0.787 53.866 53.050 0.048 0.000 0.851 1148 N CB 1.287 39.797 38.487 0.038 0.000 1.070 1148 N HN 1.104 nan 8.380 nan 0.000 0.483 1149 A N 2.989 125.619 122.820 -0.316 0.000 1.975 1149 A HA 0.152 4.458 4.320 -0.022 0.000 0.215 1149 A C 0.208 177.082 177.584 -1.184 0.000 1.170 1149 A CA 0.779 52.191 52.037 -1.041 0.000 0.656 1149 A CB 0.115 17.708 19.000 -2.344 0.000 0.821 1149 A HN 0.564 nan 8.150 nan 0.000 0.449 1150 F N -3.947 115.796 119.950 -0.345 0.000 2.620 1150 F HA 0.478 4.992 4.527 -0.021 0.000 0.320 1150 F C 0.964 176.624 175.800 -0.233 0.000 1.069 1150 F CA -0.763 56.979 58.000 -0.430 0.000 0.953 1150 F CB 1.223 39.722 39.000 -0.836 0.000 1.322 1150 F HN 0.090 nan 8.300 nan 0.000 0.479 1151 H N 0.048 119.042 119.070 -0.127 0.000 2.520 1151 H HA 0.172 4.714 4.556 -0.023 0.000 0.279 1151 H C -0.973 174.440 175.328 0.140 0.000 0.990 1151 H CA 0.867 56.930 56.048 0.024 0.000 1.288 1151 H CB 0.292 30.127 29.762 0.121 0.000 1.446 1151 H HN 0.530 nan 8.280 nan 0.000 0.538 1152 Y N -4.142 116.025 120.300 -0.222 0.000 2.981 1152 Y HA 0.400 4.937 4.550 -0.022 0.000 0.359 1152 Y C -2.044 173.508 175.900 -0.580 0.000 1.359 1152 Y CA -2.026 55.909 58.100 -0.275 0.000 1.105 1152 Y CB 0.593 38.954 38.460 -0.166 0.000 1.840 1152 Y HN -0.198 nan 8.280 nan 0.000 0.426 1153 F N 0.170 120.093 119.950 -0.045 0.000 2.588 1153 F HA 0.697 5.211 4.527 -0.023 0.000 0.310 1153 F C -0.334 175.152 175.800 -0.522 0.000 1.082 1153 F CA -0.872 56.904 58.000 -0.373 0.000 0.929 1153 F CB 2.748 41.509 39.000 -0.398 0.000 1.254 1153 F HN 0.525 nan 8.300 nan 0.000 0.455 1154 T N 1.673 116.057 114.554 -0.282 0.000 2.867 1154 T HA 0.569 4.906 4.350 -0.022 0.000 0.282 1154 T C -1.288 173.214 174.700 -0.330 0.000 1.000 1154 T CA -0.502 61.467 62.100 -0.219 0.000 1.042 1154 T CB 0.688 69.562 68.868 0.009 0.000 0.973 1154 T HN 0.326 nan 8.240 nan 0.000 0.465 1155 Y N -0.003 120.380 120.300 0.139 0.000 2.536 1155 Y HA 0.721 5.257 4.550 -0.023 0.000 0.347 1155 Y C 0.621 176.569 175.900 0.081 0.000 1.000 1155 Y CA -0.986 57.163 58.100 0.082 0.000 1.051 1155 Y CB 2.578 41.008 38.460 -0.050 0.000 1.259 1155 Y HN 0.909 nan 8.280 nan 0.000 0.468 1156 G N 0.183 109.142 108.800 0.265 0.000 2.660 1156 G HA2 0.619 4.566 3.960 -0.022 0.000 0.290 1156 G HA3 0.619 4.566 3.960 -0.022 0.000 0.290 1156 G C -2.327 172.698 174.900 0.208 0.000 1.432 1156 G CA -0.784 44.435 45.100 0.197 0.000 0.807 1156 G HN 0.461 nan 8.290 nan 0.000 0.485 1157 V N -0.230 119.783 119.914 0.166 0.000 2.760 1157 V HA 0.837 4.944 4.120 -0.022 0.000 0.309 1157 V C -0.014 176.124 176.094 0.074 0.000 1.077 1157 V CA -0.473 61.927 62.300 0.167 0.000 0.910 1157 V CB 1.581 33.522 31.823 0.197 0.000 1.008 1157 V HN 1.500 nan 8.190 nan 0.000 0.424 1158 A N 2.647 125.506 122.820 0.066 0.000 2.371 1158 A HA 0.743 5.049 4.320 -0.022 0.000 0.311 1158 A C -0.782 176.789 177.584 -0.023 0.000 1.068 1158 A CA -0.453 51.594 52.037 0.017 0.000 0.744 1158 A CB 1.590 20.643 19.000 0.089 0.000 1.239 1158 A HN 0.999 nan 8.150 nan 0.000 0.435 1159 C N 2.270 121.535 119.300 -0.059 0.000 2.298 1159 C HA 0.800 5.247 4.460 -0.022 0.000 0.323 1159 C C 0.098 175.087 174.990 -0.002 0.000 1.284 1159 C CA -0.080 58.912 59.018 -0.044 0.000 1.577 1159 C CB -0.364 27.333 27.740 -0.071 0.000 2.249 1159 C HN 0.811 nan 8.230 nan 0.000 0.497 1160 S N 3.817 119.540 115.700 0.040 0.000 2.536 1160 S HA 0.556 5.013 4.470 -0.022 0.000 0.298 1160 S C -1.101 173.512 174.600 0.022 0.000 1.083 1160 S CA -0.459 57.766 58.200 0.041 0.000 0.995 1160 S CB 1.682 64.943 63.200 0.101 0.000 1.058 1160 S HN 0.864 nan 8.310 nan 0.000 0.488 1161 E N 1.802 121.998 120.200 -0.006 0.000 2.210 1161 E HA 0.602 4.939 4.350 -0.022 0.000 0.266 1161 E C -1.172 175.410 176.600 -0.031 0.000 0.883 1161 E CA -0.716 55.663 56.400 -0.035 0.000 0.761 1161 E CB 1.463 31.122 29.700 -0.068 0.000 1.156 1161 E HN 0.512 nan 8.360 nan 0.000 0.412 1162 V N 0.853 120.745 119.914 -0.037 0.000 3.074 1162 V HA 0.666 4.773 4.120 -0.022 0.000 0.314 1162 V C -0.840 175.219 176.094 -0.059 0.000 1.117 1162 V CA -0.788 61.506 62.300 -0.010 0.000 1.014 1162 V CB 1.871 33.706 31.823 0.019 0.000 1.057 1162 V HN 0.793 nan 8.190 nan 0.000 0.438 1163 E N 2.415 122.596 120.200 -0.032 0.000 2.199 1163 E HA 0.642 4.979 4.350 -0.022 0.000 0.265 1163 E C -0.851 175.782 176.600 0.055 0.000 0.882 1163 E CA -0.955 55.411 56.400 -0.056 0.000 0.759 1163 E CB 1.952 31.575 29.700 -0.128 0.000 1.148 1163 E HN 0.960 nan 8.360 nan 0.000 0.412 1164 I N 0.847 121.463 120.570 0.077 0.000 2.498 1164 I HA 0.517 4.674 4.170 -0.022 0.000 0.301 1164 I C -0.460 175.732 176.117 0.125 0.000 0.984 1164 I CA -0.798 60.567 61.300 0.108 0.000 1.204 1164 I CB 1.666 39.709 38.000 0.072 0.000 1.362 1164 I HN 0.367 nan 8.210 nan 0.000 0.471 1165 D N 5.164 125.632 120.400 0.112 0.000 2.396 1165 D HA 0.259 4.886 4.640 -0.022 0.000 0.225 1165 D C 0.430 176.801 176.300 0.118 0.000 1.121 1165 D CA -0.488 53.581 54.000 0.115 0.000 0.853 1165 D CB 1.453 42.295 40.800 0.069 0.000 1.043 1165 D HN 0.770 nan 8.370 nan 0.000 0.500 1166 C N 3.414 122.822 119.300 0.179 0.000 2.472 1166 C HA 0.062 4.509 4.460 -0.022 0.000 0.278 1166 C C 2.469 177.560 174.990 0.169 0.000 1.447 1166 C CA -0.153 58.979 59.018 0.190 0.000 1.773 1166 C CB -0.990 26.908 27.740 0.263 0.000 1.793 1166 C HN 0.645 nan 8.230 nan 0.000 0.544 1167 L N 1.033 122.320 121.223 0.108 0.000 2.375 1167 L HA 0.005 4.332 4.340 -0.022 0.000 0.215 1167 L C 2.585 179.406 176.870 -0.081 0.000 1.108 1167 L CA 1.599 56.408 54.840 -0.051 0.000 0.830 1167 L CB -0.234 41.688 42.059 -0.230 0.000 0.959 1167 L HN 0.511 nan 8.230 nan 0.000 0.457 1168 T N -5.927 108.609 114.554 -0.030 0.000 2.959 1168 T HA 0.278 4.615 4.350 -0.022 0.000 0.254 1168 T C 1.505 176.201 174.700 -0.006 0.000 1.003 1168 T CA 0.536 62.614 62.100 -0.037 0.000 0.950 1168 T CB 0.980 69.823 68.868 -0.041 0.000 1.090 1168 T HN 0.276 nan 8.240 nan 0.000 0.503 1169 G N 1.401 110.214 108.800 0.022 0.000 2.205 1169 G HA2 -0.241 3.706 3.960 -0.022 0.000 0.261 1169 G HA3 -0.241 3.706 3.960 -0.022 0.000 0.261 1169 G C -0.107 174.829 174.900 0.059 0.000 0.980 1169 G CA 0.218 45.340 45.100 0.036 0.000 0.632 1169 G HN 0.630 nan 8.290 nan 0.000 0.533 1170 D N 1.321 121.747 120.400 0.044 0.000 2.378 1170 D HA 0.382 5.008 4.640 -0.022 0.000 0.238 1170 D C 0.617 176.980 176.300 0.104 0.000 1.180 1170 D CA 0.959 54.984 54.000 0.041 0.000 0.895 1170 D CB 0.294 41.090 40.800 -0.007 0.000 1.192 1170 D HN 0.705 nan 8.370 nan 0.000 0.438 1171 H N -1.416 117.638 119.070 -0.026 0.000 3.012 1171 H HA 0.402 4.944 4.556 -0.022 0.000 0.367 1171 H C -1.227 174.079 175.328 -0.037 0.000 1.211 1171 H CA -0.895 55.136 56.048 -0.029 0.000 1.139 1171 H CB 1.302 31.041 29.762 -0.039 0.000 1.838 1171 H HN 0.211 nan 8.280 nan 0.000 0.550 1172 K N 2.297 122.658 120.400 -0.065 0.000 2.207 1172 K HA 0.328 4.635 4.320 -0.022 0.000 0.255 1172 K C -0.650 175.957 176.600 0.012 0.000 0.941 1172 K CA -1.146 55.071 56.287 -0.117 0.000 0.825 1172 K CB 1.611 34.067 32.500 -0.072 0.000 1.119 1172 K HN 0.410 nan 8.250 nan 0.000 0.430 1173 N N 2.945 121.631 118.700 -0.023 0.000 2.415 1173 N HA 0.132 4.859 4.740 -0.022 0.000 0.246 1173 N C 0.612 176.108 175.510 -0.023 0.000 1.078 1173 N CA -0.058 53.006 53.050 0.023 0.000 0.942 1173 N CB 0.885 39.370 38.487 -0.002 0.000 1.140 1173 N HN 0.524 nan 8.380 nan 0.000 0.501 1174 L N 1.391 122.599 121.223 -0.026 0.000 2.253 1174 L HA 0.230 4.557 4.340 -0.022 0.000 0.205 1174 L C 0.985 177.833 176.870 -0.037 0.000 1.078 1174 L CA 0.530 55.343 54.840 -0.045 0.000 0.805 1174 L CB 0.165 42.180 42.059 -0.074 0.000 0.963 1174 L HN 0.392 nan 8.230 nan 0.000 0.459 1175 R N -0.800 119.678 120.500 -0.037 0.000 2.633 1175 R HA 0.381 4.708 4.340 -0.022 0.000 0.255 1175 R C -1.736 174.541 176.300 -0.038 0.000 1.106 1175 R CA -0.275 55.807 56.100 -0.030 0.000 0.959 1175 R CB 1.870 32.153 30.300 -0.028 0.000 1.259 1175 R HN -0.207 nan 8.270 nan 0.000 0.453 1176 T N 2.376 116.902 114.554 -0.046 0.000 2.912 1176 T HA 0.406 4.743 4.350 -0.022 0.000 0.299 1176 T C -1.735 172.939 174.700 -0.043 0.000 1.052 1176 T CA -0.640 61.407 62.100 -0.090 0.000 0.996 1176 T CB 1.751 70.447 68.868 -0.287 0.000 1.070 1176 T HN 0.561 nan 8.240 nan 0.000 0.465 1177 D N 1.544 121.900 120.400 -0.074 0.000 2.696 1177 D HA 0.560 5.187 4.640 -0.022 0.000 0.251 1177 D C -0.736 175.510 176.300 -0.090 0.000 1.188 1177 D CA -0.333 53.630 54.000 -0.062 0.000 0.876 1177 D CB 1.460 42.224 40.800 -0.059 0.000 1.334 1177 D HN 0.354 nan 8.370 nan 0.000 0.540 1178 I N 1.890 122.407 120.570 -0.088 0.000 2.433 1178 I HA 0.486 4.643 4.170 -0.022 0.000 0.292 1178 I C -0.710 175.383 176.117 -0.039 0.000 1.001 1178 I CA -1.159 60.099 61.300 -0.070 0.000 1.119 1178 I CB 1.947 39.894 38.000 -0.088 0.000 1.289 1178 I HN 0.023 nan 8.210 nan 0.000 0.438 1179 V N 6.489 126.397 119.914 -0.010 0.000 2.448 1179 V HA 0.514 4.620 4.120 -0.022 0.000 0.295 1179 V C -0.024 176.099 176.094 0.048 0.000 1.025 1179 V CA -0.494 61.811 62.300 0.010 0.000 0.859 1179 V CB 1.726 33.553 31.823 0.006 0.000 0.988 1179 V HN 0.610 nan 8.190 nan 0.000 0.431 1180 M N 3.360 122.989 119.600 0.048 0.000 2.465 1180 M HA 0.439 4.905 4.480 -0.022 0.000 0.316 1180 M C -1.039 175.309 176.300 0.080 0.000 1.121 1180 M CA -0.537 54.809 55.300 0.076 0.000 0.934 1180 M CB 2.021 34.661 32.600 0.065 0.000 1.692 1180 M HN 0.758 nan 8.290 nan 0.000 0.444 1181 D N 2.650 123.120 120.400 0.116 0.000 2.396 1181 D HA 0.355 4.982 4.640 -0.022 0.000 0.225 1181 D C 0.211 176.574 176.300 0.105 0.000 1.121 1181 D CA -0.391 53.681 54.000 0.120 0.000 0.853 1181 D CB 0.790 41.703 40.800 0.187 0.000 1.043 1181 D HN 0.408 nan 8.370 nan 0.000 0.500 1182 V N 2.200 122.158 119.914 0.074 0.000 2.940 1182 V HA 0.622 4.729 4.120 -0.022 0.000 0.366 1182 V C 1.150 177.271 176.094 0.045 0.000 1.353 1182 V CA 0.203 62.542 62.300 0.065 0.000 1.232 1182 V CB -0.369 31.484 31.823 0.050 0.000 1.278 1182 V HN 0.701 nan 8.190 nan 0.000 0.546 1183 G N 1.585 110.410 108.800 0.042 0.000 2.574 1183 G HA2 -0.262 3.685 3.960 -0.022 0.000 0.282 1183 G HA3 -0.262 3.685 3.960 -0.022 0.000 0.282 1183 G C 0.084 174.990 174.900 0.011 0.000 1.257 1183 G CA 0.154 45.260 45.100 0.010 0.000 0.956 1183 G HN 1.018 nan 8.290 nan 0.000 0.560 1184 S N 0.158 115.859 115.700 0.001 0.000 2.416 1184 S HA 0.524 4.981 4.470 -0.022 0.000 0.287 1184 S C 0.445 175.053 174.600 0.014 0.000 1.139 1184 S CA 0.462 58.667 58.200 0.007 0.000 1.058 1184 S CB 1.382 64.585 63.200 0.006 0.000 0.967 1184 S HN 0.984 nan 8.310 nan 0.000 0.495 1185 S N 3.319 119.026 115.700 0.013 0.000 2.516 1185 S HA 0.191 4.648 4.470 -0.022 0.000 0.282 1185 S C 1.434 176.043 174.600 0.016 0.000 1.286 1185 S CA -0.629 57.580 58.200 0.016 0.000 1.066 1185 S CB -0.008 63.199 63.200 0.011 0.000 0.884 1185 S HN 0.659 nan 8.310 nan 0.000 0.491 1186 L N 3.657 124.896 121.223 0.027 0.000 2.131 1186 L HA 0.024 4.350 4.340 -0.022 0.000 0.210 1186 L C 1.125 178.003 176.870 0.014 0.000 1.092 1186 L CA 0.730 55.590 54.840 0.033 0.000 0.759 1186 L CB -0.198 41.890 42.059 0.047 0.000 0.903 1186 L HN 0.584 nan 8.230 nan 0.000 0.435 1187 N N -1.282 117.424 118.700 0.011 0.000 2.747 1187 N HA 0.132 4.859 4.740 -0.022 0.000 0.262 1187 N C -2.307 173.207 175.510 0.007 0.000 1.261 1187 N CA -1.019 52.034 53.050 0.006 0.000 0.809 1187 N CB 1.491 39.982 38.487 0.006 0.000 1.450 1187 N HN -0.284 nan 8.380 nan 0.000 0.560 1188 P HA -0.064 nan 4.420 nan 0.000 0.219 1188 P C 1.023 178.323 177.300 -0.001 0.000 1.146 1188 P CA 1.100 64.199 63.100 -0.000 0.000 0.808 1188 P CB 0.403 32.100 31.700 -0.005 0.000 0.779 1189 A N -0.910 121.912 122.820 0.003 0.000 1.897 1189 A HA -0.129 4.178 4.320 -0.022 0.000 0.215 1189 A C 2.058 179.652 177.584 0.018 0.000 1.181 1189 A CA 1.210 53.252 52.037 0.007 0.000 0.620 1189 A CB -1.402 17.606 19.000 0.014 0.000 0.821 1189 A HN 0.031 nan 8.150 nan 0.000 0.443 1190 I N 0.795 121.380 120.570 0.025 0.000 2.226 1190 I HA -0.177 3.980 4.170 -0.022 0.000 0.245 1190 I C 1.717 177.854 176.117 0.032 0.000 1.100 1190 I CA 1.391 62.714 61.300 0.037 0.000 1.374 1190 I CB -0.690 37.326 38.000 0.027 0.000 1.057 1190 I HN 0.265 nan 8.210 nan 0.000 0.413 1191 D N 0.009 120.422 120.400 0.021 0.000 2.123 1191 D HA -0.060 4.567 4.640 -0.022 0.000 0.200 1191 D C 2.441 178.749 176.300 0.014 0.000 0.976 1191 D CA 1.058 55.071 54.000 0.021 0.000 0.831 1191 D CB -0.126 40.685 40.800 0.018 0.000 0.974 1191 D HN 0.265 nan 8.370 nan 0.000 0.469 1192 I N 1.221 121.789 120.570 -0.004 0.000 2.127 1192 I HA -0.226 3.931 4.170 -0.022 0.000 0.241 1192 I C 2.575 178.673 176.117 -0.031 0.000 1.075 1192 I CA 1.491 62.773 61.300 -0.032 0.000 1.334 1192 I CB -0.604 37.363 38.000 -0.054 0.000 1.040 1192 I HN 0.033 nan 8.210 nan 0.000 0.405 1193 G N 0.124 108.919 108.800 -0.008 0.000 2.505 1193 G HA2 -0.281 3.666 3.960 -0.022 0.000 0.220 1193 G HA3 -0.281 3.666 3.960 -0.022 0.000 0.220 1193 G C 1.559 176.490 174.900 0.052 0.000 1.145 1193 G CA 0.643 45.753 45.100 0.017 0.000 0.761 1193 G HN 0.338 nan 8.290 nan 0.000 0.571 1194 Q N 0.051 119.886 119.800 0.059 0.000 2.123 1194 Q HA -0.006 4.321 4.340 -0.022 0.000 0.199 1194 Q C 3.012 179.066 176.000 0.090 0.000 0.966 1194 Q CA 0.884 56.736 55.803 0.082 0.000 0.845 1194 Q CB -0.666 28.111 28.738 0.066 0.000 0.907 1194 Q HN 0.442 nan 8.270 nan 0.000 0.439 1195 V N 1.566 121.518 119.914 0.063 0.000 2.255 1195 V HA -0.281 3.826 4.120 -0.022 0.000 0.247 1195 V C 2.165 178.350 176.094 0.151 0.000 1.051 1195 V CA 2.128 64.477 62.300 0.082 0.000 1.018 1195 V CB -0.640 31.198 31.823 0.025 0.000 0.641 1195 V HN 0.379 nan 8.190 nan 0.000 0.445 1196 E N 0.304 120.552 120.200 0.081 0.000 2.058 1196 E HA -0.183 4.154 4.350 -0.022 0.000 0.194 1196 E C 2.291 179.078 176.600 0.312 0.000 0.997 1196 E CA 1.442 57.936 56.400 0.156 0.000 0.801 1196 E CB -0.507 29.140 29.700 -0.090 0.000 0.746 1196 E HN 0.657 nan 8.360 nan 0.000 0.450 1197 G N 0.655 109.571 108.800 0.193 0.000 2.396 1197 G HA2 -0.100 3.847 3.960 -0.022 0.000 0.214 1197 G HA3 -0.100 3.847 3.960 -0.022 0.000 0.214 1197 G C 1.660 176.650 174.900 0.150 0.000 1.166 1197 G CA 0.610 45.809 45.100 0.165 0.000 0.793 1197 G HN 0.331 nan 8.290 nan 0.000 0.533 1198 A N 0.821 123.742 122.820 0.167 0.000 1.865 1198 A HA 0.004 4.311 4.320 -0.022 0.000 0.217 1198 A C 2.165 179.836 177.584 0.145 0.000 1.191 1198 A CA 1.676 53.795 52.037 0.138 0.000 0.623 1198 A CB -0.717 18.357 19.000 0.123 0.000 0.826 1198 A HN 0.423 nan 8.150 nan 0.000 0.444 1199 F N 0.807 120.819 119.950 0.105 0.000 2.091 1199 F HA -0.194 4.320 4.527 -0.021 0.000 0.299 1199 F C 2.180 178.011 175.800 0.052 0.000 1.103 1199 F CA 2.205 60.270 58.000 0.109 0.000 1.228 1199 F CB -0.333 38.789 39.000 0.204 0.000 0.984 1199 F HN 0.025 nan 8.300 nan 0.000 0.477 1200 V N 0.080 120.043 119.914 0.082 0.000 2.515 1200 V HA -0.282 3.825 4.120 -0.022 0.000 0.250 1200 V C 2.330 178.315 176.094 -0.183 0.000 1.058 1200 V CA 2.086 64.341 62.300 -0.074 0.000 1.064 1200 V CB -0.694 31.184 31.823 0.093 0.000 0.675 1200 V HN 0.436 nan 8.190 nan 0.000 0.461 1201 Q N -0.183 119.537 119.800 -0.134 0.000 2.224 1201 Q HA -0.100 4.227 4.340 -0.022 0.000 0.203 1201 Q C 2.214 178.054 176.000 -0.266 0.000 0.970 1201 Q CA 1.472 57.169 55.803 -0.177 0.000 0.865 1201 Q CB -0.238 28.432 28.738 -0.114 0.000 0.922 1201 Q HN 0.692 nan 8.270 nan 0.000 0.445 1202 G N 0.719 109.358 108.800 -0.268 0.000 2.396 1202 G HA2 -0.200 3.746 3.960 -0.022 0.000 0.214 1202 G HA3 -0.200 3.746 3.960 -0.022 0.000 0.214 1202 G C 1.287 176.022 174.900 -0.274 0.000 1.166 1202 G CA 0.577 45.497 45.100 -0.299 0.000 0.793 1202 G HN 0.388 nan 8.290 nan 0.000 0.533 1203 L N 2.237 123.223 121.223 -0.394 0.000 2.051 1203 L HA 0.009 4.335 4.340 -0.022 0.000 0.214 1203 L C 2.407 179.135 176.870 -0.236 0.000 1.076 1203 L CA 2.608 57.260 54.840 -0.313 0.000 0.758 1203 L CB -1.343 40.448 42.059 -0.448 0.000 0.890 1203 L HN 0.153 nan 8.230 nan 0.000 0.433 1204 G N -0.067 108.561 108.800 -0.287 0.000 2.453 1204 G HA2 -0.295 3.652 3.960 -0.022 0.000 0.215 1204 G HA3 -0.295 3.652 3.960 -0.022 0.000 0.215 1204 G C 1.601 176.294 174.900 -0.344 0.000 1.201 1204 G CA 1.013 45.938 45.100 -0.291 0.000 0.784 1204 G HN 0.483 nan 8.290 nan 0.000 0.545 1205 L N 0.204 121.130 121.223 -0.495 0.000 1.978 1205 L HA -0.058 4.269 4.340 -0.022 0.000 0.218 1205 L C 2.613 179.063 176.870 -0.700 0.000 1.075 1205 L CA 1.902 56.317 54.840 -0.707 0.000 0.767 1205 L CB -0.853 40.546 42.059 -1.101 0.000 0.890 1205 L HN 0.282 nan 8.230 nan 0.000 0.434 1206 F N -1.230 118.544 119.950 -0.293 0.000 2.558 1206 F HA -0.045 4.468 4.527 -0.023 0.000 0.298 1206 F C 2.082 177.851 175.800 -0.053 0.000 1.119 1206 F CA 0.968 58.817 58.000 -0.252 0.000 1.451 1206 F CB -0.499 38.344 39.000 -0.263 0.000 1.091 1206 F HN 0.374 nan 8.300 nan 0.000 0.563 1207 T N -5.177 109.386 114.554 0.015 0.000 3.010 1207 T HA 0.196 4.533 4.350 -0.022 0.000 0.253 1207 T C 1.092 175.784 174.700 -0.013 0.000 0.939 1207 T CA 0.128 62.246 62.100 0.030 0.000 0.910 1207 T CB 0.033 68.925 68.868 0.040 0.000 1.226 1207 T HN 0.044 nan 8.240 nan 0.000 0.508 1208 L N 0.663 121.825 121.223 -0.101 0.000 2.713 1208 L HA 0.539 4.866 4.340 -0.022 0.000 0.223 1208 L C 0.110 176.839 176.870 -0.234 0.000 1.040 1208 L CA 0.478 55.229 54.840 -0.148 0.000 0.894 1208 L CB 0.177 42.119 42.059 -0.195 0.000 1.361 1208 L HN 0.277 nan 8.230 nan 0.000 0.490 1209 E N 1.588 121.608 120.200 -0.300 0.000 2.129 1209 E HA 0.201 4.538 4.350 -0.022 0.000 0.283 1209 E C -0.245 176.287 176.600 -0.114 0.000 1.080 1209 E CA 0.075 56.212 56.400 -0.439 0.000 0.867 1209 E CB 0.713 30.119 29.700 -0.490 0.000 1.056 1209 E HN 0.090 nan 8.360 nan 0.000 0.404 1210 E N 4.471 124.665 120.200 -0.009 0.000 2.218 1210 E HA 0.254 4.591 4.350 -0.022 0.000 0.263 1210 E C -1.198 175.617 176.600 0.357 0.000 0.879 1210 E CA -0.562 55.943 56.400 0.174 0.000 0.762 1210 E CB 1.029 30.785 29.700 0.092 0.000 1.166 1210 E HN 0.418 nan 8.360 nan 0.000 0.415 1211 L N 3.763 125.194 121.223 0.348 0.000 2.307 1211 L HA 0.430 4.757 4.340 -0.022 0.000 0.282 1211 L C -0.386 176.679 176.870 0.324 0.000 1.051 1211 L CA -0.682 54.313 54.840 0.259 0.000 0.804 1211 L CB 1.119 43.296 42.059 0.197 0.000 1.197 1211 L HN 0.545 nan 8.230 nan 0.000 0.431 1212 H N 2.074 121.156 119.070 0.020 0.000 2.759 1212 H HA 0.526 5.069 4.556 -0.022 0.000 0.354 1212 H C -1.665 173.623 175.328 -0.066 0.000 1.074 1212 H CA -0.508 55.627 56.048 0.144 0.000 1.226 1212 H CB 1.188 31.055 29.762 0.176 0.000 1.648 1212 H HN 0.270 nan 8.280 nan 0.000 0.529 1213 Y N 1.489 121.543 120.300 -0.410 0.000 2.468 1213 Y HA 0.332 4.869 4.550 -0.022 0.000 0.342 1213 Y C 0.486 176.055 175.900 -0.552 0.000 1.021 1213 Y CA -0.819 57.025 58.100 -0.427 0.000 1.079 1213 Y CB 1.778 40.109 38.460 -0.215 0.000 1.226 1213 Y HN 0.733 nan 8.280 nan 0.000 0.460 1214 S N 1.772 117.175 115.700 -0.495 0.000 2.573 1214 S HA 0.089 4.546 4.470 -0.022 0.000 0.277 1214 S C -1.887 172.686 174.600 -0.045 0.000 1.346 1214 S CA -0.794 57.310 58.200 -0.161 0.000 1.034 1214 S CB 0.859 63.966 63.200 -0.155 0.000 0.879 1214 S HN 0.513 nan 8.310 nan 0.000 0.528 1215 P HA -0.198 nan 4.420 nan 0.000 0.222 1215 P C 0.426 177.719 177.300 -0.011 0.000 1.157 1215 P CA 1.825 64.927 63.100 0.004 0.000 0.905 1215 P CB -0.147 31.565 31.700 0.021 0.000 0.792 1216 E N -1.871 118.322 120.200 -0.012 0.000 2.359 1216 E HA 0.372 4.709 4.350 -0.022 0.000 0.187 1216 E C 1.136 177.726 176.600 -0.018 0.000 1.081 1216 E CA 0.551 56.941 56.400 -0.016 0.000 0.929 1216 E CB -0.846 28.845 29.700 -0.016 0.000 1.086 1216 E HN 0.212 nan 8.360 nan 0.000 0.462 1217 G N 0.299 109.092 108.800 -0.012 0.000 2.132 1217 G HA2 -0.288 3.659 3.960 -0.022 0.000 0.234 1217 G HA3 -0.288 3.659 3.960 -0.022 0.000 0.234 1217 G C 0.248 175.196 174.900 0.081 0.000 0.989 1217 G CA 0.271 45.384 45.100 0.021 0.000 0.676 1217 G HN 0.324 nan 8.290 nan 0.000 0.522 1218 S N -0.282 115.409 115.700 -0.014 0.000 2.442 1218 S HA 0.640 5.097 4.470 -0.022 0.000 0.297 1218 S C 0.278 174.713 174.600 -0.276 0.000 1.131 1218 S CA -0.667 57.481 58.200 -0.087 0.000 1.092 1218 S CB 0.944 64.074 63.200 -0.116 0.000 0.998 1218 S HN 1.070 nan 8.310 nan 0.000 0.478 1219 L N 6.645 127.705 121.223 -0.271 0.000 2.477 1219 L HA 0.266 4.593 4.340 -0.022 0.000 0.272 1219 L C 1.124 177.782 176.870 -0.355 0.000 1.157 1219 L CA 0.671 55.182 54.840 -0.548 0.000 0.889 1219 L CB 0.213 42.009 42.059 -0.439 0.000 1.158 1219 L HN 0.800 nan 8.230 nan 0.000 0.473 1220 H N 1.905 120.846 119.070 -0.216 0.000 2.448 1220 H HA 0.066 4.609 4.556 -0.022 0.000 0.292 1220 H C 0.356 175.664 175.328 -0.033 0.000 1.035 1220 H CA 1.116 57.126 56.048 -0.064 0.000 1.349 1220 H CB -0.038 29.748 29.762 0.039 0.000 1.425 1220 H HN 0.667 nan 8.280 nan 0.000 0.539 1221 T N -0.258 114.322 114.554 0.043 0.000 3.151 1221 T HA 0.421 4.758 4.350 -0.022 0.000 0.332 1221 T C 0.761 175.462 174.700 0.001 0.000 1.245 1221 T CA -0.686 61.458 62.100 0.072 0.000 1.019 1221 T CB 0.498 69.444 68.868 0.130 0.000 1.109 1221 T HN 0.175 nan 8.240 nan 0.000 0.621 1222 R N 1.600 122.129 120.500 0.047 0.000 2.596 1222 R HA 0.453 4.780 4.340 -0.022 0.000 0.369 1222 R C 0.756 177.110 176.300 0.090 0.000 1.042 1222 R CA -0.484 55.636 56.100 0.032 0.000 1.120 1222 R CB 1.198 31.512 30.300 0.023 0.000 1.353 1222 R HN 0.767 nan 8.270 nan 0.000 0.564 1223 G N 0.236 109.135 108.800 0.165 0.000 2.548 1223 G HA2 0.201 4.148 3.960 -0.022 0.000 0.301 1223 G HA3 0.201 4.148 3.960 -0.022 0.000 0.301 1223 G C -2.578 172.513 174.900 0.318 0.000 1.349 1223 G CA -0.739 44.509 45.100 0.247 0.000 0.792 1223 G HN -0.309 nan 8.290 nan 0.000 0.481 1224 P HA -0.023 nan 4.420 nan 0.000 0.223 1224 P C 1.872 179.216 177.300 0.073 0.000 1.151 1224 P CA 1.859 65.055 63.100 0.160 0.000 0.787 1224 P CB 0.130 31.933 31.700 0.171 0.000 0.788 1225 S N -1.318 114.436 115.700 0.090 0.000 2.489 1225 S HA -0.048 4.409 4.470 -0.022 0.000 0.228 1225 S C 1.615 176.245 174.600 0.049 0.000 0.995 1225 S CA 1.445 59.676 58.200 0.051 0.000 0.934 1225 S CB -1.516 61.713 63.200 0.049 0.000 0.771 1225 S HN 0.312 nan 8.310 nan 0.000 0.522 1226 T N -3.497 111.111 114.554 0.091 0.000 2.975 1226 T HA 0.299 4.636 4.350 -0.022 0.000 0.257 1226 T C -0.241 174.551 174.700 0.153 0.000 1.003 1226 T CA -0.384 61.774 62.100 0.098 0.000 0.932 1226 T CB -0.264 68.669 68.868 0.109 0.000 1.087 1226 T HN 0.354 nan 8.240 nan 0.000 0.512 1227 Y N 2.480 122.781 120.300 0.002 0.000 2.331 1227 Y HA 0.572 5.108 4.550 -0.022 0.000 0.334 1227 Y C -1.251 174.574 175.900 -0.125 0.000 0.960 1227 Y CA -1.654 56.428 58.100 -0.030 0.000 1.130 1227 Y CB 1.333 39.810 38.460 0.028 0.000 1.164 1227 Y HN -0.169 nan 8.280 nan 0.000 0.458 1228 K N 8.767 128.841 120.400 -0.543 0.000 2.404 1228 K HA 0.335 4.642 4.320 -0.022 0.000 0.257 1228 K C -0.369 175.887 176.600 -0.573 0.000 1.026 1228 K CA -0.441 55.578 56.287 -0.447 0.000 0.951 1228 K CB 1.002 33.338 32.500 -0.273 0.000 1.203 1228 K HN 0.842 nan 8.250 nan 0.000 0.446 1229 I N -0.599 119.638 120.570 -0.555 0.000 2.834 1229 I HA 0.434 4.591 4.170 -0.022 0.000 0.305 1229 I C -2.150 173.778 176.117 -0.316 0.000 1.008 1229 I CA -2.426 58.594 61.300 -0.467 0.000 1.273 1229 I CB 0.333 38.042 38.000 -0.484 0.000 1.432 1229 I HN 0.181 nan 8.210 nan 0.000 0.557 1230 P HA 0.155 nan 4.420 nan 0.000 0.265 1230 P C -0.828 176.367 177.300 -0.174 0.000 1.187 1230 P CA 0.018 63.001 63.100 -0.195 0.000 0.766 1230 P CB 0.608 32.203 31.700 -0.175 0.000 0.820 1231 A N 1.919 124.661 122.820 -0.129 0.000 2.309 1231 A HA 0.514 4.821 4.320 -0.022 0.000 0.317 1231 A C 0.776 178.329 177.584 -0.051 0.000 1.134 1231 A CA -0.570 51.424 52.037 -0.072 0.000 0.866 1231 A CB -0.036 18.954 19.000 -0.016 0.000 1.329 1231 A HN 0.428 nan 8.150 nan 0.000 0.477 1232 F N 0.685 120.623 119.950 -0.021 0.000 2.063 1232 F HA -0.207 4.306 4.527 -0.023 0.000 0.298 1232 F C 2.499 178.292 175.800 -0.010 0.000 1.105 1232 F CA 2.768 60.767 58.000 -0.002 0.000 1.215 1232 F CB -0.356 38.646 39.000 0.003 0.000 0.972 1232 F HN 0.628 nan 8.300 nan 0.000 0.483 1233 G N -2.019 106.870 108.800 0.148 0.000 3.026 1233 G HA2 -0.010 3.937 3.960 -0.022 0.000 0.208 1233 G HA3 -0.010 3.937 3.960 -0.022 0.000 0.208 1233 G C 1.344 176.237 174.900 -0.012 0.000 1.169 1233 G CA 0.595 45.731 45.100 0.060 0.000 0.788 1233 G HN 0.322 nan 8.290 nan 0.000 0.533 1234 S N 0.035 115.713 115.700 -0.037 0.000 2.501 1234 S HA 0.156 4.613 4.470 -0.022 0.000 0.220 1234 S C 1.121 175.668 174.600 -0.088 0.000 0.997 1234 S CA -0.326 57.821 58.200 -0.088 0.000 0.919 1234 S CB -0.072 63.062 63.200 -0.110 0.000 0.778 1234 S HN 0.614 nan 8.310 nan 0.000 0.523 1235 I N 0.146 120.679 120.570 -0.062 0.000 2.662 1235 I HA 0.402 4.559 4.170 -0.022 0.000 0.291 1235 I C -2.895 173.159 176.117 -0.104 0.000 1.046 1235 I CA -2.666 58.576 61.300 -0.097 0.000 1.361 1235 I CB -0.173 37.816 38.000 -0.018 0.000 1.429 1235 I HN -0.232 nan 8.210 nan 0.000 0.558 1236 P HA -0.004 nan 4.420 nan 0.000 0.263 1236 P C 0.552 177.833 177.300 -0.031 0.000 1.175 1236 P CA 0.252 63.276 63.100 -0.127 0.000 0.761 1236 P CB 0.478 32.045 31.700 -0.222 0.000 0.794 1237 T N 1.038 115.585 114.554 -0.012 0.000 2.699 1237 T HA -0.149 4.188 4.350 -0.022 0.000 0.268 1237 T C 0.658 175.387 174.700 0.048 0.000 1.036 1237 T CA 1.457 63.568 62.100 0.018 0.000 1.147 1237 T CB -0.179 68.689 68.868 0.000 0.000 0.862 1237 T HN 0.447 nan 8.240 nan 0.000 0.446 1238 E N 0.279 120.504 120.200 0.042 0.000 2.129 1238 E HA 0.358 4.695 4.350 -0.022 0.000 0.268 1238 E C -1.676 175.004 176.600 0.134 0.000 0.900 1238 E CA -0.321 56.122 56.400 0.071 0.000 0.755 1238 E CB 1.175 30.893 29.700 0.030 0.000 1.117 1238 E HN 0.392 nan 8.360 nan 0.000 0.410 1239 F N 4.378 124.299 119.950 -0.048 0.000 2.513 1239 F HA 0.428 4.946 4.527 -0.015 0.000 0.358 1239 F C -0.463 175.283 175.800 -0.090 0.000 1.118 1239 F CA -0.832 57.118 58.000 -0.082 0.000 1.037 1239 F CB 0.774 39.744 39.000 -0.050 0.000 1.276 1239 F HN 0.208 nan 8.300 nan 0.000 0.446 1240 R N 4.925 125.494 120.500 0.114 0.000 2.480 1240 R HA 0.687 5.014 4.340 -0.022 0.000 0.306 1240 R C -1.590 174.645 176.300 -0.107 0.000 0.958 1240 R CA -0.932 55.137 56.100 -0.052 0.000 0.861 1240 R CB 2.818 33.105 30.300 -0.022 0.000 1.171 1240 R HN 0.344 nan 8.270 nan 0.000 0.445 1241 V N 1.858 121.672 119.914 -0.167 0.000 2.577 1241 V HA 0.391 4.498 4.120 -0.022 0.000 0.303 1241 V C -0.578 175.456 176.094 -0.100 0.000 1.042 1241 V CA -0.628 61.579 62.300 -0.155 0.000 0.872 1241 V CB 2.166 33.848 31.823 -0.234 0.000 0.998 1241 V HN 0.748 nan 8.190 nan 0.000 0.423 1242 S N 4.675 120.337 115.700 -0.063 0.000 2.532 1242 S HA 0.771 5.228 4.470 -0.022 0.000 0.301 1242 S C -0.679 173.909 174.600 -0.020 0.000 1.083 1242 S CA -0.584 57.592 58.200 -0.039 0.000 1.025 1242 S CB 1.577 64.759 63.200 -0.030 0.000 1.056 1242 S HN 0.533 nan 8.310 nan 0.000 0.494 1243 L N 2.714 123.930 121.223 -0.012 0.000 2.282 1243 L HA 0.487 4.814 4.340 -0.022 0.000 0.288 1243 L C -0.334 176.543 176.870 0.011 0.000 1.033 1243 L CA -0.885 53.958 54.840 0.004 0.000 0.807 1243 L CB 0.829 42.891 42.059 0.004 0.000 1.209 1243 L HN 0.479 nan 8.230 nan 0.000 0.423 1244 L N 4.963 126.201 121.223 0.024 0.000 2.597 1244 L HA 0.094 4.421 4.340 -0.022 0.000 0.271 1244 L C 0.510 177.394 176.870 0.023 0.000 1.157 1244 L CA 0.575 55.432 54.840 0.027 0.000 0.928 1244 L CB -0.163 41.922 42.059 0.043 0.000 1.216 1244 L HN 0.499 nan 8.230 nan 0.000 0.481 1245 R N 4.389 124.898 120.500 0.016 0.000 2.582 1245 R HA 0.151 4.478 4.340 -0.022 0.000 0.271 1245 R C -0.132 176.177 176.300 0.015 0.000 1.078 1245 R CA -0.282 55.826 56.100 0.012 0.000 1.127 1245 R CB 0.276 30.581 30.300 0.007 0.000 1.038 1245 R HN 0.718 nan 8.270 nan 0.000 0.500 1246 D N -0.188 120.219 120.400 0.012 0.000 2.835 1246 D HA -0.132 4.495 4.640 -0.022 0.000 0.230 1246 D C -0.441 175.868 176.300 0.015 0.000 1.130 1246 D CA 1.026 55.033 54.000 0.012 0.000 0.738 1246 D CB -1.615 39.192 40.800 0.012 0.000 1.090 1246 D HN 0.715 nan 8.370 nan 0.000 0.433 1247 C N -1.848 117.462 119.300 0.017 0.000 3.328 1247 C HA 0.517 4.964 4.460 -0.022 0.000 0.230 1247 C C -2.627 172.369 174.990 0.011 0.000 1.232 1247 C CA -2.138 56.892 59.018 0.020 0.000 1.431 1247 C CB 0.443 28.203 27.740 0.034 0.000 1.818 1247 C HN -0.123 nan 8.230 nan 0.000 0.484 1248 P HA 0.042 nan 4.420 nan 0.000 0.257 1248 P C -0.051 177.229 177.300 -0.033 0.000 1.189 1248 P CA 0.943 64.036 63.100 -0.013 0.000 0.780 1248 P CB 0.226 31.920 31.700 -0.009 0.000 0.772 1249 N N 3.263 121.925 118.700 -0.064 0.000 2.399 1249 N HA 0.012 4.739 4.740 -0.022 0.000 0.259 1249 N C 0.639 176.045 175.510 -0.174 0.000 1.160 1249 N CA 0.099 53.065 53.050 -0.139 0.000 0.946 1249 N CB 0.357 38.710 38.487 -0.223 0.000 1.156 1249 N HN 0.145 nan 8.380 nan 0.000 0.489 1250 K N 2.337 122.645 120.400 -0.153 0.000 2.487 1250 K HA 0.061 4.368 4.320 -0.022 0.000 0.192 1250 K C 0.692 177.194 176.600 -0.164 0.000 1.027 1250 K CA 0.274 56.484 56.287 -0.128 0.000 1.054 1250 K CB 0.396 32.850 32.500 -0.075 0.000 0.824 1250 K HN 0.427 nan 8.250 nan 0.000 0.510 1251 K N 0.453 120.684 120.400 -0.282 0.000 2.305 1251 K HA 0.099 4.406 4.320 -0.022 0.000 0.199 1251 K C 0.901 177.425 176.600 -0.128 0.000 1.047 1251 K CA 0.331 56.445 56.287 -0.288 0.000 0.976 1251 K CB 0.320 32.443 32.500 -0.629 0.000 0.765 1251 K HN 0.075 nan 8.250 nan 0.000 0.474 1252 A N 0.914 123.586 122.820 -0.248 0.000 2.435 1252 A HA 0.528 4.835 4.320 -0.022 0.000 0.296 1252 A C -0.667 176.785 177.584 -0.221 0.000 1.147 1252 A CA -0.861 51.066 52.037 -0.184 0.000 0.775 1252 A CB 0.858 19.760 19.000 -0.163 0.000 1.340 1252 A HN 0.133 nan 8.150 nan 0.000 0.427 1253 I N 0.893 121.303 120.570 -0.267 0.000 2.828 1253 I HA 0.049 4.206 4.170 -0.022 0.000 0.292 1253 I C -0.070 175.907 176.117 -0.234 0.000 1.206 1253 I CA 1.267 62.331 61.300 -0.393 0.000 1.420 1253 I CB -0.952 36.792 38.000 -0.426 0.000 1.368 1253 I HN 0.614 nan 8.210 nan 0.000 0.556 1254 Y N 5.800 125.999 120.300 -0.169 0.000 3.396 1254 Y HA -0.283 4.265 4.550 -0.003 0.000 0.214 1254 Y C 1.376 177.217 175.900 -0.097 0.000 1.203 1254 Y CA 0.417 58.448 58.100 -0.115 0.000 1.401 1254 Y CB -1.749 36.664 38.460 -0.078 0.000 1.409 1254 Y HN 1.020 nan 8.280 nan 0.000 0.594 1255 A N -1.220 121.595 122.820 -0.008 0.000 2.952 1255 A HA -0.236 4.071 4.320 -0.022 0.000 0.252 1255 A C 0.916 178.468 177.584 -0.054 0.000 1.323 1255 A CA 0.984 52.995 52.037 -0.045 0.000 0.957 1255 A CB -1.941 17.052 19.000 -0.011 0.000 1.130 1255 A HN 1.299 nan 8.150 nan 0.000 0.799 1256 S N -0.954 114.716 115.700 -0.050 0.000 2.707 1256 S HA 0.797 5.254 4.470 -0.022 0.000 0.276 1256 S C -0.174 174.392 174.600 -0.057 0.000 1.179 1256 S CA -0.308 57.876 58.200 -0.028 0.000 0.992 1256 S CB 1.583 64.787 63.200 0.007 0.000 1.030 1256 S HN 0.525 nan 8.310 nan 0.000 0.554 1257 K N -0.095 120.317 120.400 0.020 0.000 2.426 1257 K HA 0.621 4.928 4.320 -0.022 0.000 0.251 1257 K C -0.792 175.906 176.600 0.163 0.000 0.941 1257 K CA -0.905 55.463 56.287 0.136 0.000 0.808 1257 K CB 2.176 34.769 32.500 0.154 0.000 1.265 1257 K HN 0.835 nan 8.250 nan 0.000 0.432 1258 A N 1.523 124.487 122.820 0.239 0.000 2.545 1258 A HA 0.066 4.372 4.320 -0.022 0.000 0.253 1258 A C 0.715 178.332 177.584 0.054 0.000 1.074 1258 A CA 0.004 52.100 52.037 0.099 0.000 0.760 1258 A CB 0.219 19.236 19.000 0.029 0.000 1.005 1258 A HN 0.550 nan 8.150 nan 0.000 0.506 1259 V N 3.530 123.461 119.914 0.028 0.000 3.645 1259 V HA 0.177 4.284 4.120 -0.022 0.000 0.275 1259 V C 1.855 177.941 176.094 -0.012 0.000 1.356 1259 V CA 1.666 63.975 62.300 0.016 0.000 1.051 1259 V CB -0.337 31.505 31.823 0.031 0.000 0.828 1259 V HN 1.051 nan 8.190 nan 0.000 0.441 1260 G N 0.412 109.197 108.800 -0.026 0.000 2.639 1260 G HA2 -0.264 3.683 3.960 -0.022 0.000 0.216 1260 G HA3 -0.264 3.683 3.960 -0.022 0.000 0.216 1260 G C 1.247 176.109 174.900 -0.063 0.000 1.267 1260 G CA 1.389 46.476 45.100 -0.022 0.000 0.801 1260 G HN 0.583 nan 8.290 nan 0.000 0.592 1261 E N 0.659 120.739 120.200 -0.199 0.000 2.250 1261 E HA 0.020 4.357 4.350 -0.022 0.000 0.192 1261 E C -0.120 176.107 176.600 -0.622 0.000 0.986 1261 E CA 0.125 56.295 56.400 -0.384 0.000 0.849 1261 E CB -0.076 29.283 29.700 -0.568 0.000 0.797 1261 E HN 0.323 nan 8.360 nan 0.000 0.482 1262 P HA -0.172 nan 4.420 nan 0.000 0.217 1262 P C -1.649 175.597 177.300 -0.090 0.000 1.158 1262 P CA 1.814 64.681 63.100 -0.388 0.000 0.887 1262 P CB -0.755 30.879 31.700 -0.110 0.000 0.792 1263 P HA 0.033 nan 4.420 nan 0.000 0.245 1263 P C 1.377 178.782 177.300 0.175 0.000 1.212 1263 P CA 0.342 63.517 63.100 0.124 0.000 0.774 1263 P CB -0.390 31.391 31.700 0.135 0.000 0.999 1264 L N -0.983 120.300 121.223 0.101 0.000 2.017 1264 L HA -0.118 4.209 4.340 -0.022 0.000 0.208 1264 L C 2.110 179.097 176.870 0.195 0.000 1.073 1264 L CA 1.627 56.532 54.840 0.108 0.000 0.745 1264 L CB -0.647 41.437 42.059 0.042 0.000 0.894 1264 L HN -0.084 nan 8.230 nan 0.000 0.432 1265 F N -0.220 119.816 119.950 0.143 0.000 2.451 1265 F HA -0.104 4.409 4.527 -0.023 0.000 0.299 1265 F C 1.785 177.692 175.800 0.178 0.000 1.101 1265 F CA 0.953 59.088 58.000 0.225 0.000 1.436 1265 F CB -0.229 38.882 39.000 0.185 0.000 1.074 1265 F HN -0.003 nan 8.300 nan 0.000 0.553 1266 L N 0.131 121.390 121.223 0.060 0.000 2.349 1266 L HA -0.151 4.176 4.340 -0.022 0.000 0.220 1266 L C 2.634 179.557 176.870 0.088 0.000 1.130 1266 L CA 0.985 55.873 54.840 0.080 0.000 0.791 1266 L CB -1.425 40.818 42.059 0.306 0.000 0.918 1266 L HN 0.365 nan 8.230 nan 0.000 0.444 1267 G N -0.344 108.358 108.800 -0.164 0.000 2.509 1267 G HA2 -0.165 3.782 3.960 -0.022 0.000 0.218 1267 G HA3 -0.165 3.782 3.960 -0.022 0.000 0.218 1267 G C 1.698 176.437 174.900 -0.269 0.000 1.124 1267 G CA 0.633 45.404 45.100 -0.548 0.000 0.776 1267 G HN 0.469 nan 8.290 nan 0.000 0.547 1268 A N 1.255 123.730 122.820 -0.574 0.000 2.172 1268 A HA 0.054 4.361 4.320 -0.022 0.000 0.216 1268 A C 2.620 180.060 177.584 -0.239 0.000 1.154 1268 A CA 1.952 53.453 52.037 -0.894 0.000 0.701 1268 A CB -0.452 17.634 19.000 -1.524 0.000 0.789 1268 A HN 0.634 nan 8.150 nan 0.000 0.465 1269 S N -0.501 115.143 115.700 -0.093 0.000 2.423 1269 S HA -0.091 4.366 4.470 -0.022 0.000 0.231 1269 S C 1.648 176.307 174.600 0.099 0.000 1.014 1269 S CA 1.238 59.494 58.200 0.094 0.000 0.965 1269 S CB -0.707 62.566 63.200 0.123 0.000 0.785 1269 S HN 0.249 nan 8.310 nan 0.000 0.495 1270 V N 1.063 121.008 119.914 0.052 0.000 2.358 1270 V HA -0.058 4.049 4.120 -0.022 0.000 0.246 1270 V C 2.075 178.131 176.094 -0.064 0.000 1.047 1270 V CA 1.902 64.207 62.300 0.009 0.000 1.035 1270 V CB -1.079 30.743 31.823 -0.002 0.000 0.658 1270 V HN 0.554 nan 8.190 nan 0.000 0.452 1271 F N 0.516 120.320 119.950 -0.243 0.000 2.095 1271 F HA -0.217 4.296 4.527 -0.022 0.000 0.298 1271 F C 2.025 177.585 175.800 -0.401 0.000 1.104 1271 F CA 1.910 59.693 58.000 -0.362 0.000 1.232 1271 F CB -0.283 38.412 39.000 -0.509 0.000 0.987 1271 F HN 0.123 nan 8.300 nan 0.000 0.475 1272 F N -0.177 119.862 119.950 0.149 0.000 2.367 1272 F HA 0.044 4.558 4.527 -0.023 0.000 0.298 1272 F C 2.433 178.214 175.800 -0.031 0.000 1.094 1272 F CA 0.579 58.615 58.000 0.060 0.000 1.409 1272 F CB -0.796 38.249 39.000 0.074 0.000 1.064 1272 F HN 0.052 nan 8.300 nan 0.000 0.528 1273 A N 0.554 123.427 122.820 0.088 0.000 1.930 1273 A HA -0.126 4.181 4.320 -0.022 0.000 0.217 1273 A C 2.167 179.715 177.584 -0.060 0.000 1.175 1273 A CA 1.341 53.392 52.037 0.022 0.000 0.627 1273 A CB -0.927 18.081 19.000 0.014 0.000 0.815 1273 A HN 0.378 nan 8.150 nan 0.000 0.443 1274 I N -0.646 119.819 120.570 -0.176 0.000 2.179 1274 I HA -0.270 3.887 4.170 -0.022 0.000 0.242 1274 I C 2.572 178.583 176.117 -0.176 0.000 1.088 1274 I CA 1.731 62.886 61.300 -0.243 0.000 1.357 1274 I CB -0.243 37.494 38.000 -0.438 0.000 1.051 1274 I HN 0.327 nan 8.210 nan 0.000 0.409 1275 K N 0.592 120.851 120.400 -0.234 0.000 2.063 1275 K HA -0.264 4.043 4.320 -0.022 0.000 0.208 1275 K C 1.744 178.410 176.600 0.109 0.000 1.048 1275 K CA 2.006 58.260 56.287 -0.055 0.000 0.928 1275 K CB -0.116 32.330 32.500 -0.090 0.000 0.713 1275 K HN 0.173 nan 8.250 nan 0.000 0.442 1276 D N -0.104 120.343 120.400 0.079 0.000 2.123 1276 D HA -0.126 4.501 4.640 -0.022 0.000 0.196 1276 D C 1.623 177.966 176.300 0.072 0.000 0.992 1276 D CA 1.340 55.395 54.000 0.091 0.000 0.833 1276 D CB -0.024 40.820 40.800 0.073 0.000 0.954 1276 D HN 0.312 nan 8.370 nan 0.000 0.455 1277 A N 0.081 122.922 122.820 0.036 0.000 1.902 1277 A HA -0.129 4.178 4.320 -0.022 0.000 0.217 1277 A C 2.375 179.987 177.584 0.047 0.000 1.181 1277 A CA 1.001 53.059 52.037 0.035 0.000 0.623 1277 A CB -0.687 18.319 19.000 0.009 0.000 0.818 1277 A HN 0.315 nan 8.150 nan 0.000 0.443 1278 I N -1.000 119.602 120.570 0.053 0.000 2.315 1278 I HA -0.249 3.908 4.170 -0.022 0.000 0.248 1278 I C 2.742 178.868 176.117 0.015 0.000 1.117 1278 I CA 1.180 62.498 61.300 0.029 0.000 1.404 1278 I CB -0.366 37.669 38.000 0.059 0.000 1.071 1278 I HN 0.305 nan 8.210 nan 0.000 0.419 1279 R N 0.842 121.430 120.500 0.148 0.000 2.081 1279 R HA -0.120 4.207 4.340 -0.022 0.000 0.235 1279 R C 2.461 178.798 176.300 0.061 0.000 1.131 1279 R CA 1.458 57.655 56.100 0.162 0.000 0.960 1279 R CB -0.447 29.994 30.300 0.235 0.000 0.856 1279 R HN 0.350 nan 8.270 nan 0.000 0.436 1280 A N 1.188 124.039 122.820 0.052 0.000 1.972 1280 A HA -0.093 4.214 4.320 -0.022 0.000 0.219 1280 A C 2.319 179.893 177.584 -0.016 0.000 1.169 1280 A CA 1.656 53.705 52.037 0.020 0.000 0.635 1280 A CB -0.448 18.574 19.000 0.036 0.000 0.810 1280 A HN 0.398 nan 8.150 nan 0.000 0.446 1281 A N -0.236 122.584 122.820 -0.001 0.000 1.929 1281 A HA -0.062 4.244 4.320 -0.022 0.000 0.216 1281 A C 2.209 179.784 177.584 -0.015 0.000 1.176 1281 A CA 1.251 53.292 52.037 0.007 0.000 0.628 1281 A CB -0.348 18.689 19.000 0.062 0.000 0.816 1281 A HN 0.541 nan 8.150 nan 0.000 0.444 1282 R N -0.298 120.170 120.500 -0.054 0.000 2.092 1282 R HA 0.007 4.334 4.340 -0.022 0.000 0.231 1282 R C 2.414 178.683 176.300 -0.052 0.000 1.119 1282 R CA 1.074 57.133 56.100 -0.068 0.000 0.970 1282 R CB -0.452 29.758 30.300 -0.151 0.000 0.864 1282 R HN 0.472 nan 8.270 nan 0.000 0.440 1283 A N 0.990 123.782 122.820 -0.048 0.000 1.940 1283 A HA -0.273 4.034 4.320 -0.022 0.000 0.219 1283 A C 2.121 179.631 177.584 -0.123 0.000 1.176 1283 A CA 1.619 53.621 52.037 -0.057 0.000 0.631 1283 A CB -0.384 18.595 19.000 -0.036 0.000 0.814 1283 A HN 0.260 nan 8.150 nan 0.000 0.446 1284 Q N -1.061 118.618 119.800 -0.202 0.000 1.994 1284 Q HA -0.134 4.193 4.340 -0.022 0.000 0.198 1284 Q C 1.707 177.419 176.000 -0.479 0.000 0.976 1284 Q CA 2.025 57.577 55.803 -0.417 0.000 0.828 1284 Q CB -0.167 28.205 28.738 -0.609 0.000 0.894 1284 Q HN 0.772 nan 8.270 nan 0.000 0.432 1285 H N -1.984 117.018 119.070 -0.114 0.000 2.885 1285 H HA 0.204 4.746 4.556 -0.022 0.000 0.260 1285 H C 1.343 176.639 175.328 -0.054 0.000 0.985 1285 H CA 1.156 57.148 56.048 -0.094 0.000 1.210 1285 H CB 0.692 30.407 29.762 -0.080 0.000 1.466 1285 H HN 0.431 nan 8.280 nan 0.000 0.493 1286 T N -0.184 114.395 114.554 0.041 0.000 3.038 1286 T HA 0.060 4.396 4.350 -0.022 0.000 0.244 1286 T C 0.694 175.398 174.700 0.007 0.000 1.016 1286 T CA 0.362 62.476 62.100 0.024 0.000 1.098 1286 T CB 0.519 69.390 68.868 0.005 0.000 0.954 1286 T HN 0.598 nan 8.240 nan 0.000 0.469 1287 N N -0.983 117.715 118.700 -0.005 0.000 3.387 1287 N HA 0.164 4.891 4.740 -0.022 0.000 0.294 1287 N C -1.098 174.408 175.510 -0.007 0.000 1.519 1287 N CA -0.765 52.285 53.050 -0.001 0.000 0.875 1287 N CB 0.213 38.708 38.487 0.012 0.000 1.657 1287 N HN -0.020 nan 8.380 nan 0.000 0.527 1288 N N -0.682 118.019 118.700 0.002 0.000 2.159 1288 N HA 0.026 4.753 4.740 -0.022 0.000 0.217 1288 N C -0.834 174.685 175.510 0.014 0.000 1.223 1288 N CA -0.048 53.002 53.050 -0.000 0.000 0.896 1288 N CB 0.114 38.599 38.487 -0.003 0.000 1.064 1288 N HN 0.466 nan 8.380 nan 0.000 0.518 1289 N N 1.879 120.595 118.700 0.026 0.000 2.448 1289 N HA 0.008 4.735 4.740 -0.022 0.000 0.250 1289 N C 1.003 176.547 175.510 0.055 0.000 1.136 1289 N CA 0.146 53.221 53.050 0.041 0.000 0.953 1289 N CB 0.489 39.005 38.487 0.048 0.000 1.251 1289 N HN 0.068 nan 8.380 nan 0.000 0.502 1290 T N 0.093 114.677 114.554 0.051 0.000 3.160 1290 T HA 0.088 4.425 4.350 -0.022 0.000 0.257 1290 T C 0.898 175.646 174.700 0.081 0.000 1.147 1290 T CA 0.740 62.878 62.100 0.063 0.000 1.064 1290 T CB -0.087 68.811 68.868 0.050 0.000 0.949 1290 T HN 0.388 nan 8.240 nan 0.000 0.526 1291 K N 0.613 121.063 120.400 0.083 0.000 2.374 1291 K HA 0.210 4.516 4.320 -0.022 0.000 0.202 1291 K C 0.581 177.247 176.600 0.110 0.000 1.040 1291 K CA -0.247 56.096 56.287 0.094 0.000 1.085 1291 K CB 0.574 33.124 32.500 0.084 0.000 0.873 1291 K HN 0.553 nan 8.250 nan 0.000 0.539 1292 E N 1.719 121.992 120.200 0.121 0.000 2.481 1292 E HA -0.035 4.302 4.350 -0.022 0.000 0.263 1292 E C -0.919 175.793 176.600 0.188 0.000 0.992 1292 E CA 0.329 56.820 56.400 0.152 0.000 0.938 1292 E CB 0.491 30.292 29.700 0.168 0.000 0.933 1292 E HN 0.101 nan 8.360 nan 0.000 0.453 1293 L N 5.623 126.954 121.223 0.179 0.000 2.341 1293 L HA 0.489 4.816 4.340 -0.022 0.000 0.278 1293 L C -0.682 176.314 176.870 0.209 0.000 1.005 1293 L CA -1.038 53.885 54.840 0.139 0.000 0.818 1293 L CB 0.859 42.983 42.059 0.108 0.000 1.259 1293 L HN 0.489 nan 8.230 nan 0.000 0.418 1294 F N 0.245 120.263 119.950 0.114 0.000 2.556 1294 F HA 0.618 5.132 4.527 -0.022 0.000 0.314 1294 F C -0.196 175.691 175.800 0.144 0.000 1.106 1294 F CA -1.238 56.829 58.000 0.111 0.000 0.911 1294 F CB 1.195 40.250 39.000 0.090 0.000 1.190 1294 F HN 0.350 nan 8.300 nan 0.000 0.448 1295 R N 3.289 123.912 120.500 0.205 0.000 2.370 1295 R HA 0.419 4.746 4.340 -0.022 0.000 0.309 1295 R C -1.493 174.955 176.300 0.246 0.000 1.059 1295 R CA -0.464 55.742 56.100 0.177 0.000 0.981 1295 R CB 0.493 30.918 30.300 0.209 0.000 0.972 1295 R HN 0.835 nan 8.270 nan 0.000 0.437 1296 L N 5.700 127.037 121.223 0.190 0.000 2.295 1296 L HA 0.337 4.664 4.340 -0.022 0.000 0.281 1296 L C -0.955 176.200 176.870 0.475 0.000 1.018 1296 L CA -0.373 54.659 54.840 0.319 0.000 0.841 1296 L CB 1.173 43.365 42.059 0.223 0.000 1.218 1296 L HN 0.659 nan 8.230 nan 0.000 0.424 1297 D N 1.474 122.126 120.400 0.420 0.000 2.398 1297 D HA 0.249 4.876 4.640 -0.022 0.000 0.247 1297 D C -0.320 176.261 176.300 0.467 0.000 1.227 1297 D CA 0.026 54.293 54.000 0.445 0.000 0.980 1297 D CB 1.359 42.395 40.800 0.393 0.000 1.106 1297 D HN 0.439 nan 8.370 nan 0.000 0.493 1298 S N 0.015 115.866 115.700 0.251 0.000 2.472 1298 S HA 0.548 5.005 4.470 -0.022 0.000 0.303 1298 S C -2.766 171.863 174.600 0.047 0.000 1.099 1298 S CA -1.540 56.678 58.200 0.030 0.000 1.077 1298 S CB 1.468 64.282 63.200 -0.643 0.000 1.031 1298 S HN 0.129 nan 8.310 nan 0.000 0.487 1299 P HA 0.268 nan 4.420 nan 0.000 0.278 1299 P C -1.182 176.227 177.300 0.182 0.000 1.238 1299 P CA -0.464 62.678 63.100 0.070 0.000 0.794 1299 P CB 0.820 32.514 31.700 -0.010 0.000 0.955 1300 A N 2.864 125.829 122.820 0.243 0.000 2.807 1300 A HA 0.418 4.725 4.320 -0.022 0.000 0.307 1300 A C 0.915 178.527 177.584 0.047 0.000 1.532 1300 A CA -0.232 51.882 52.037 0.128 0.000 1.215 1300 A CB -1.124 17.821 19.000 -0.092 0.000 1.127 1300 A HN 0.600 nan 8.150 nan 0.000 0.543 1301 T N 0.124 114.712 114.554 0.058 0.000 2.849 1301 T HA 0.406 4.743 4.350 -0.022 0.000 0.284 1301 T C -1.691 173.029 174.700 0.034 0.000 1.004 1301 T CA -1.543 60.579 62.100 0.036 0.000 1.021 1301 T CB 0.646 69.530 68.868 0.028 0.000 1.013 1301 T HN 0.183 nan 8.240 nan 0.000 0.527 1302 P HA -0.204 nan 4.420 nan 0.000 0.218 1302 P C 1.494 178.806 177.300 0.020 0.000 1.154 1302 P CA 1.462 64.579 63.100 0.028 0.000 0.872 1302 P CB 0.041 31.747 31.700 0.010 0.000 0.790 1303 E N 0.073 120.282 120.200 0.015 0.000 2.038 1303 E HA -0.248 4.089 4.350 -0.022 0.000 0.195 1303 E C 1.868 178.489 176.600 0.034 0.000 1.000 1303 E CA 1.453 57.862 56.400 0.017 0.000 0.803 1303 E CB -0.201 29.505 29.700 0.011 0.000 0.750 1303 E HN 0.155 nan 8.360 nan 0.000 0.448 1304 K N 0.131 120.561 120.400 0.049 0.000 2.025 1304 K HA -0.117 4.190 4.320 -0.022 0.000 0.207 1304 K C 2.342 178.978 176.600 0.059 0.000 1.049 1304 K CA 1.453 57.784 56.287 0.074 0.000 0.933 1304 K CB -0.195 32.367 32.500 0.103 0.000 0.714 1304 K HN 0.239 nan 8.250 nan 0.000 0.438 1305 I N 0.674 121.264 120.570 0.032 0.000 2.099 1305 I HA -0.319 3.838 4.170 -0.022 0.000 0.239 1305 I C 2.608 178.737 176.117 0.020 0.000 1.066 1305 I CA 1.204 62.512 61.300 0.013 0.000 1.324 1305 I CB -0.322 37.676 38.000 -0.002 0.000 1.037 1305 I HN 0.078 nan 8.210 nan 0.000 0.401 1306 R N 1.668 122.183 120.500 0.025 0.000 2.096 1306 R HA -0.196 4.131 4.340 -0.022 0.000 0.240 1306 R C 1.934 178.251 176.300 0.029 0.000 1.139 1306 R CA 1.908 58.024 56.100 0.027 0.000 0.952 1306 R CB -0.679 29.631 30.300 0.016 0.000 0.854 1306 R HN 0.323 nan 8.270 nan 0.000 0.436 1307 N N -0.097 118.621 118.700 0.030 0.000 2.289 1307 N HA -0.092 4.635 4.740 -0.022 0.000 0.184 1307 N C 1.245 176.766 175.510 0.018 0.000 1.016 1307 N CA 1.506 54.576 53.050 0.033 0.000 0.872 1307 N CB -0.286 38.227 38.487 0.044 0.000 0.973 1307 N HN 0.407 nan 8.380 nan 0.000 0.433 1308 A N -0.477 122.343 122.820 -0.001 0.000 2.021 1308 A HA 0.034 4.341 4.320 -0.022 0.000 0.216 1308 A C 1.082 178.578 177.584 -0.148 0.000 1.163 1308 A CA 0.223 52.209 52.037 -0.085 0.000 0.676 1308 A CB -0.174 18.782 19.000 -0.073 0.000 0.818 1308 A HN 0.329 nan 8.150 nan 0.000 0.453 1309 C N 2.021 121.289 119.300 -0.054 0.000 2.756 1309 C HA 0.413 4.860 4.460 -0.022 0.000 0.504 1309 C C 0.597 175.606 174.990 0.033 0.000 1.028 1309 C CA -1.080 57.931 59.018 -0.011 0.000 1.167 1309 C CB -2.216 25.560 27.740 0.059 0.000 1.444 1309 C HN 0.300 nan 8.230 nan 0.000 0.577 1310 V N 4.246 124.157 119.914 -0.005 0.000 2.585 1310 V HA 0.299 4.406 4.120 -0.022 0.000 0.296 1310 V C 0.284 176.415 176.094 0.061 0.000 1.035 1310 V CA 0.794 63.109 62.300 0.024 0.000 1.084 1310 V CB 0.595 32.417 31.823 -0.002 0.000 0.953 1310 V HN 0.891 nan 8.190 nan 0.000 0.483 1311 D N 2.733 123.171 120.400 0.064 0.000 3.145 1311 D HA 0.200 4.827 4.640 -0.022 0.000 0.345 1311 D C 0.528 176.813 176.300 -0.025 0.000 1.391 1311 D CA -0.426 53.603 54.000 0.048 0.000 0.930 1311 D CB 0.655 41.484 40.800 0.047 0.000 1.451 1311 D HN 0.335 nan 8.370 nan 0.000 0.555 1312 K N -0.540 119.768 120.400 -0.153 0.000 2.362 1312 K HA 0.059 4.366 4.320 -0.022 0.000 0.200 1312 K C 1.268 177.609 176.600 -0.432 0.000 1.046 1312 K CA 1.162 57.249 56.287 -0.332 0.000 0.952 1312 K CB -0.490 31.731 32.500 -0.465 0.000 0.753 1312 K HN 0.255 nan 8.250 nan 0.000 0.466 1313 F N 2.059 122.006 119.950 -0.006 0.000 2.220 1313 F HA -0.046 4.468 4.527 -0.022 0.000 0.290 1313 F C 2.900 178.691 175.800 -0.016 0.000 1.080 1313 F CA 1.120 59.104 58.000 -0.028 0.000 1.318 1313 F CB -0.714 38.248 39.000 -0.063 0.000 1.063 1313 F HN 0.117 nan 8.300 nan 0.000 0.498 1314 T N -1.970 112.678 114.554 0.156 0.000 2.746 1314 T HA -0.105 4.232 4.350 -0.022 0.000 0.267 1314 T C 1.218 175.948 174.700 0.049 0.000 1.039 1314 T CA 1.169 63.322 62.100 0.088 0.000 1.142 1314 T CB -1.378 67.533 68.868 0.072 0.000 0.866 1314 T HN 0.252 nan 8.240 nan 0.000 0.444 1315 T N 0.329 114.899 114.554 0.027 0.000 2.849 1315 T HA 0.602 4.939 4.350 -0.022 0.000 0.284 1315 T C 0.331 175.030 174.700 -0.003 0.000 1.004 1315 T CA -1.025 61.079 62.100 0.007 0.000 1.021 1315 T CB 0.647 69.510 68.868 -0.007 0.000 1.013 1315 T HN 0.295 nan 8.240 nan 0.000 0.527 1316 L N 0.244 121.464 121.223 -0.006 0.000 2.567 1316 L HA 0.377 4.704 4.340 -0.022 0.000 0.238 1316 L C 1.580 178.421 176.870 -0.049 0.000 1.168 1316 L CA -1.141 53.691 54.840 -0.013 0.000 0.817 1316 L CB 0.205 42.265 42.059 0.003 0.000 1.409 1316 L HN 0.850 nan 8.230 nan 0.000 0.502 1317 C N -1.180 118.085 119.300 -0.058 0.000 4.562 1317 C HA 0.162 4.609 4.460 -0.022 0.000 0.169 1317 C C 1.829 176.754 174.990 -0.109 0.000 2.634 1317 C CA 0.308 59.249 59.018 -0.127 0.000 1.762 1317 C CB 0.298 27.958 27.740 -0.133 0.000 2.071 1317 C HN 0.759 nan 8.230 nan 0.000 0.208 1318 V N 0.067 119.922 119.914 -0.097 0.000 0.378 1318 V HA -0.344 3.762 4.120 -0.022 0.000 0.091 1318 V C 2.048 178.103 176.094 -0.065 0.000 2.785 1318 V CA 2.837 65.067 62.300 -0.116 0.000 3.834 1318 V CB -2.653 29.010 31.823 -0.267 0.000 1.090 1318 V HN 1.035 nan 8.190 nan 0.000 1.145 1319 T N -0.110 114.421 114.554 -0.038 0.000 2.719 1319 T HA -0.325 4.012 4.350 -0.022 0.000 0.254 1319 T C 2.242 176.929 174.700 -0.022 0.000 1.106 1319 T CA 3.855 65.943 62.100 -0.020 0.000 1.146 1319 T CB -0.984 67.880 68.868 -0.008 0.000 0.839 1319 T HN 2.762 nan 8.240 nan 0.000 0.473 1320 G N 1.391 110.172 108.800 -0.032 0.000 2.148 1320 G HA2 0.118 4.065 3.960 -0.022 0.000 0.254 1320 G HA3 0.118 4.065 3.960 -0.022 0.000 0.254 1320 G C 0.625 175.515 174.900 -0.017 0.000 0.981 1320 G CA 0.727 45.812 45.100 -0.025 0.000 0.670 1320 G HN 2.043 nan 8.290 nan 0.000 0.528 1321 A N 0.035 122.846 122.820 -0.014 0.000 1.806 1321 A HA 0.226 4.533 4.320 -0.022 0.000 0.342 1321 A C -0.475 177.099 177.584 -0.017 0.000 0.732 1321 A CA 1.270 53.298 52.037 -0.015 0.000 1.550 1321 A CB -0.278 18.713 19.000 -0.014 0.000 0.611 1321 A HN 0.903 nan 8.150 nan 0.000 0.194 1322 P HA 0.711 nan 4.420 nan 0.000 0.276 1322 P C 0.741 178.035 177.300 -0.010 0.000 1.252 1322 P CA 0.632 63.725 63.100 -0.011 0.000 0.802 1322 P CB 1.520 33.216 31.700 -0.006 0.000 1.035 1323 G N -0.396 108.398 108.800 -0.010 0.000 2.441 1323 G HA2 0.386 4.333 3.960 -0.022 0.000 0.222 1323 G HA3 0.386 4.333 3.960 -0.022 0.000 0.222 1323 G C -1.282 173.616 174.900 -0.004 0.000 1.254 1323 G CA -0.131 44.966 45.100 -0.005 0.000 0.959 1323 G HN 0.667 nan 8.290 nan 0.000 0.474 1324 N N -2.714 115.986 118.700 -0.000 0.000 6.766 1324 N HA 0.328 5.055 4.740 -0.022 0.000 0.417 1324 N C -0.362 175.154 175.510 0.009 0.000 0.962 1324 N CA 1.425 54.477 53.050 0.002 0.000 1.096 1324 N CB -0.711 37.776 38.487 -0.000 0.000 0.978 1324 N HN 2.499 nan 8.380 nan 0.000 0.187 1325 C N 0.000 119.307 119.300 0.012 0.000 2.653 1325 C HA 0.000 4.447 4.460 -0.022 0.000 0.325 1325 C CA 0.000 59.026 59.018 0.013 0.000 1.963 1325 C CB 0.000 27.745 27.740 0.009 0.000 2.134 1325 C HN 0.000 nan 8.230 nan 0.000 0.568