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 3nrz_1_L DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.256 176.300 -0.074 0.000 2.045 571 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 571 D CB 0.000 40.750 40.800 -0.083 0.000 0.688 572 T N -0.726 113.784 114.554 -0.074 0.000 3.069 572 T HA 0.204 4.554 4.350 -0.000 0.000 0.252 572 T C 0.916 175.572 174.700 -0.074 0.000 1.053 572 T CA -0.026 62.038 62.100 -0.060 0.000 0.964 572 T CB 0.089 68.932 68.868 -0.043 0.000 1.005 572 T HN 0.117 nan 8.240 nan 0.000 0.532 573 V N 2.353 122.198 119.914 -0.116 0.000 2.493 573 V HA 0.446 4.566 4.120 -0.000 0.000 0.292 573 V C 1.687 177.717 176.094 -0.106 0.000 1.016 573 V CA 1.295 63.512 62.300 -0.138 0.000 1.097 573 V CB -0.204 31.446 31.823 -0.289 0.000 0.947 573 V HN 0.865 nan 8.190 nan 0.000 0.479 574 G N 4.648 113.408 108.800 -0.067 0.000 2.176 574 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.232 574 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.232 574 G C 0.268 175.146 174.900 -0.036 0.000 0.986 574 G CA -0.131 44.941 45.100 -0.047 0.000 0.643 574 G HN 0.601 nan 8.290 nan 0.000 0.522 575 R N 0.846 121.324 120.500 -0.036 0.000 2.486 575 R HA 0.447 4.786 4.340 -0.000 0.000 0.286 575 R C -2.317 173.972 176.300 -0.018 0.000 0.999 575 R CA -1.699 54.385 56.100 -0.026 0.000 0.993 575 R CB 1.497 31.781 30.300 -0.028 0.000 1.084 575 R HN 0.033 nan 8.270 nan 0.000 0.487 576 P HA 0.014 nan 4.420 nan 0.000 0.225 576 P C -0.468 176.834 177.300 0.003 0.000 1.768 576 P CA -0.214 62.884 63.100 -0.004 0.000 0.943 576 P CB -0.147 31.550 31.700 -0.005 0.000 1.936 577 L N 2.864 124.088 121.223 0.001 0.000 2.462 577 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 577 L C -2.218 174.666 176.870 0.024 0.000 1.166 577 L CA -1.652 53.192 54.840 0.008 0.000 0.880 577 L CB -0.471 41.587 42.059 -0.001 0.000 1.142 577 L HN 0.014 nan 8.230 nan 0.000 0.473 578 P HA -0.027 nan 4.420 nan 0.000 0.269 578 P C -0.789 176.572 177.300 0.100 0.000 1.209 578 P CA -0.071 63.071 63.100 0.071 0.000 0.776 578 P CB 0.216 31.956 31.700 0.067 0.000 0.876 579 H N 2.871 121.957 119.070 0.025 0.000 3.195 579 H HA -0.075 4.481 4.556 -0.001 0.000 0.302 579 H C 1.088 176.437 175.328 0.035 0.000 0.950 579 H CA 0.760 56.826 56.048 0.029 0.000 1.398 579 H CB 0.352 30.133 29.762 0.031 0.000 1.377 579 H HN 0.377 nan 8.280 nan 0.000 0.572 580 L N 4.414 125.696 121.223 0.098 0.000 2.131 580 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 580 L C 2.412 179.410 176.870 0.213 0.000 1.092 580 L CA 1.426 56.342 54.840 0.126 0.000 0.759 580 L CB -0.329 41.758 42.059 0.048 0.000 0.903 580 L HN 0.638 nan 8.230 nan 0.000 0.435 581 A N -0.638 122.422 122.820 0.400 0.000 2.275 581 A HA 0.314 4.633 4.320 -0.000 0.000 0.212 581 A C 2.386 180.039 177.584 0.115 0.000 1.201 581 A CA 0.732 52.907 52.037 0.230 0.000 0.843 581 A CB -0.270 18.854 19.000 0.207 0.000 0.873 581 A HN 0.305 nan 8.150 nan 0.000 0.492 582 A N 0.425 123.320 122.820 0.125 0.000 1.908 582 A HA 0.059 4.378 4.320 -0.000 0.000 0.218 582 A C 2.437 180.045 177.584 0.041 0.000 1.181 582 A CA 2.057 54.111 52.037 0.028 0.000 0.627 582 A CB -0.868 18.165 19.000 0.056 0.000 0.818 582 A HN 1.024 nan 8.150 nan 0.000 0.445 583 A N -0.711 122.144 122.820 0.059 0.000 1.898 583 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 583 A C 2.245 179.857 177.584 0.046 0.000 1.181 583 A CA 1.756 53.822 52.037 0.048 0.000 0.620 583 A CB -0.513 18.516 19.000 0.048 0.000 0.819 583 A HN 0.538 nan 8.150 nan 0.000 0.442 584 M N -1.002 118.629 119.600 0.051 0.000 2.229 584 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 584 M C 2.313 178.645 176.300 0.053 0.000 1.063 584 M CA 1.324 56.651 55.300 0.046 0.000 1.114 584 M CB -0.344 32.282 32.600 0.044 0.000 1.387 584 M HN 0.491 nan 8.290 nan 0.000 0.420 585 Q N 0.165 119.997 119.800 0.054 0.000 2.119 585 Q HA -0.065 4.274 4.340 -0.000 0.000 0.201 585 Q C 2.226 178.271 176.000 0.074 0.000 0.972 585 Q CA 1.522 57.374 55.803 0.082 0.000 0.847 585 Q CB -0.220 28.551 28.738 0.055 0.000 0.903 585 Q HN 0.575 nan 8.270 nan 0.000 0.433 586 A N 0.827 123.678 122.820 0.052 0.000 2.067 586 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 586 A C 2.038 179.649 177.584 0.046 0.000 1.158 586 A CA 1.513 53.578 52.037 0.048 0.000 0.661 586 A CB -0.208 18.817 19.000 0.041 0.000 0.801 586 A HN 0.385 nan 8.150 nan 0.000 0.452 587 S N -2.550 113.178 115.700 0.046 0.000 2.540 587 S HA 0.412 4.882 4.470 -0.000 0.000 0.218 587 S C 1.291 175.918 174.600 0.045 0.000 0.977 587 S CA 0.944 59.168 58.200 0.039 0.000 0.918 587 S CB -0.095 63.125 63.200 0.033 0.000 0.806 587 S HN 1.823 nan 8.310 nan 0.000 0.496 588 G N 1.470 110.307 108.800 0.062 0.000 2.153 588 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 588 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 588 G C 0.418 175.362 174.900 0.072 0.000 0.994 588 G CA 0.550 45.697 45.100 0.077 0.000 0.698 588 G HN 0.606 nan 8.290 nan 0.000 0.521 589 E N -0.087 120.148 120.200 0.057 0.000 2.318 589 E HA 0.401 4.751 4.350 -0.000 0.000 0.193 589 E C 1.757 178.372 176.600 0.024 0.000 0.998 589 E CA 0.309 56.731 56.400 0.036 0.000 0.859 589 E CB 0.220 29.935 29.700 0.025 0.000 0.812 589 E HN 0.781 nan 8.360 nan 0.000 0.492 590 A N 1.708 124.545 122.820 0.029 0.000 2.524 590 A HA 0.163 4.483 4.320 -0.000 0.000 0.250 590 A C 0.172 177.686 177.584 -0.116 0.000 1.078 590 A CA -0.085 51.914 52.037 -0.063 0.000 0.761 590 A CB 0.257 19.204 19.000 -0.087 0.000 1.012 590 A HN 0.003 nan 8.150 nan 0.000 0.500 591 V N 4.362 124.156 119.914 -0.201 0.000 2.383 591 V HA 0.296 4.415 4.120 -0.000 0.000 0.275 591 V C -0.436 175.460 176.094 -0.329 0.000 1.036 591 V CA -0.120 62.092 62.300 -0.147 0.000 0.889 591 V CB -0.047 31.719 31.823 -0.096 0.000 0.985 591 V HN 0.752 nan 8.190 nan 0.000 0.459 592 Y N 1.785 122.078 120.300 -0.011 0.000 2.519 592 Y HA 0.318 4.868 4.550 -0.000 0.000 0.324 592 Y C 1.602 177.492 175.900 -0.017 0.000 1.214 592 Y CA -0.278 57.815 58.100 -0.012 0.000 1.260 592 Y CB 0.687 39.142 38.460 -0.009 0.000 1.311 592 Y HN 0.657 nan 8.280 nan 0.000 0.505 593 C N 0.656 120.044 119.300 0.147 0.000 2.376 593 C HA -0.274 4.186 4.460 -0.000 0.000 0.275 593 C C 2.431 177.457 174.990 0.059 0.000 1.200 593 C CA 2.474 61.541 59.018 0.082 0.000 1.756 593 C CB -0.883 26.912 27.740 0.092 0.000 2.050 593 C HN 1.076 nan 8.230 nan 0.000 0.460 594 D N -0.402 120.049 120.400 0.085 0.000 2.371 594 D HA -0.055 4.585 4.640 -0.000 0.000 0.221 594 D C 1.442 177.775 176.300 0.056 0.000 0.986 594 D CA 0.823 54.867 54.000 0.073 0.000 0.899 594 D CB -0.302 40.548 40.800 0.083 0.000 0.902 594 D HN 0.549 nan 8.370 nan 0.000 0.530 595 D N -0.278 120.159 120.400 0.062 0.000 2.317 595 D HA 0.005 4.644 4.640 -0.000 0.000 0.211 595 D C 0.606 176.891 176.300 -0.026 0.000 0.966 595 D CA 0.118 54.143 54.000 0.041 0.000 0.876 595 D CB 0.090 40.942 40.800 0.086 0.000 0.927 595 D HN 0.368 nan 8.370 nan 0.000 0.519 596 I N 2.625 123.151 120.570 -0.073 0.000 2.668 596 I HA -0.010 4.160 4.170 -0.000 0.000 0.285 596 I C -1.906 174.119 176.117 -0.154 0.000 1.168 596 I CA -1.371 59.825 61.300 -0.173 0.000 1.424 596 I CB 0.084 37.903 38.000 -0.302 0.000 1.377 596 I HN -0.298 nan 8.210 nan 0.000 0.560 597 P HA 0.081 nan 4.420 nan 0.000 0.267 597 P C -0.852 176.320 177.300 -0.213 0.000 1.200 597 P CA -0.103 62.903 63.100 -0.158 0.000 0.772 597 P CB 0.476 32.071 31.700 -0.176 0.000 0.855 598 R N 1.821 122.251 120.500 -0.117 0.000 2.410 598 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 598 R C -0.140 176.085 176.300 -0.125 0.000 1.051 598 R CA -0.274 55.771 56.100 -0.092 0.000 1.021 598 R CB -0.020 30.313 30.300 0.056 0.000 1.032 598 R HN 0.450 nan 8.270 nan 0.000 0.481 599 Y N 1.519 121.808 120.300 -0.018 0.000 2.511 599 Y HA -0.145 4.404 4.550 -0.000 0.000 0.347 599 Y C 1.905 177.814 175.900 0.016 0.000 1.257 599 Y CA 0.372 58.468 58.100 -0.007 0.000 1.469 599 Y CB 0.685 39.136 38.460 -0.016 0.000 1.353 599 Y HN 0.720 nan 8.280 nan 0.000 0.617 600 E N 0.401 120.733 120.200 0.219 0.000 2.160 600 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 600 E C 0.644 177.328 176.600 0.141 0.000 0.991 600 E CA 1.669 58.152 56.400 0.139 0.000 0.810 600 E CB -0.311 29.452 29.700 0.105 0.000 0.742 600 E HN 0.733 nan 8.360 nan 0.000 0.466 601 N N 1.034 119.819 118.700 0.141 0.000 2.235 601 N HA 0.009 4.749 4.740 -0.000 0.000 0.209 601 N C -0.337 175.314 175.510 0.235 0.000 1.122 601 N CA -0.097 53.056 53.050 0.172 0.000 0.845 601 N CB 0.175 38.669 38.487 0.013 0.000 1.004 601 N HN 0.227 nan 8.380 nan 0.000 0.499 602 E N 0.912 121.203 120.200 0.152 0.000 2.376 602 E HA 0.194 4.544 4.350 -0.000 0.000 0.266 602 E C -0.472 176.073 176.600 -0.092 0.000 1.009 602 E CA -0.173 56.243 56.400 0.026 0.000 0.902 602 E CB 0.581 30.255 29.700 -0.044 0.000 0.972 602 E HN 0.239 nan 8.360 nan 0.000 0.439 603 L N 3.474 124.591 121.223 -0.177 0.000 2.335 603 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 603 L C -0.645 175.949 176.870 -0.459 0.000 1.016 603 L CA -1.046 53.703 54.840 -0.151 0.000 0.805 603 L CB 0.830 42.844 42.059 -0.075 0.000 1.311 603 L HN 0.512 nan 8.230 nan 0.000 0.456 604 F N 0.811 120.785 119.950 0.041 0.000 2.540 604 F HA 0.569 5.095 4.527 -0.000 0.000 0.317 604 F C -0.323 175.507 175.800 0.050 0.000 1.104 604 F CA -0.467 57.564 58.000 0.052 0.000 0.913 604 F CB 1.920 40.952 39.000 0.054 0.000 1.170 604 F HN 0.148 nan 8.300 nan 0.000 0.450 605 L N 3.359 124.705 121.223 0.204 0.000 2.334 605 L HA 0.798 5.137 4.340 -0.000 0.000 0.276 605 L C -0.931 176.040 176.870 0.169 0.000 1.014 605 L CA -0.680 54.251 54.840 0.152 0.000 0.815 605 L CB 1.489 43.614 42.059 0.110 0.000 1.268 605 L HN 0.723 nan 8.230 nan 0.000 0.428 606 R N 3.972 124.566 120.500 0.156 0.000 2.538 606 R HA 0.557 4.897 4.340 -0.000 0.000 0.292 606 R C -1.666 174.725 176.300 0.151 0.000 1.008 606 R CA -0.444 55.749 56.100 0.154 0.000 0.896 606 R CB 1.293 31.689 30.300 0.160 0.000 1.187 606 R HN 0.677 nan 8.270 nan 0.000 0.440 607 L N 3.731 125.043 121.223 0.148 0.000 2.426 607 L HA 0.343 4.683 4.340 -0.000 0.000 0.271 607 L C -0.263 176.703 176.870 0.160 0.000 1.169 607 L CA -0.627 54.306 54.840 0.155 0.000 0.836 607 L CB 1.162 43.317 42.059 0.161 0.000 1.112 607 L HN 0.326 nan 8.230 nan 0.000 0.465 608 V N 2.256 122.268 119.914 0.163 0.000 2.398 608 V HA 0.402 4.521 4.120 -0.000 0.000 0.286 608 V C 0.167 176.363 176.094 0.170 0.000 1.026 608 V CA -0.260 62.151 62.300 0.185 0.000 0.868 608 V CB 1.652 33.638 31.823 0.272 0.000 0.982 608 V HN 0.778 nan 8.190 nan 0.000 0.443 609 T N 2.984 117.639 114.554 0.169 0.000 2.876 609 T HA 0.327 4.676 4.350 -0.000 0.000 0.289 609 T C -0.131 174.685 174.700 0.193 0.000 1.014 609 T CA -0.227 61.978 62.100 0.175 0.000 0.986 609 T CB 1.746 70.707 68.868 0.156 0.000 1.021 609 T HN 0.722 nan 8.240 nan 0.000 0.458 610 S N 1.165 116.992 115.700 0.211 0.000 2.549 610 S HA 0.112 4.582 4.470 -0.000 0.000 0.286 610 S C 1.442 176.113 174.600 0.117 0.000 1.314 610 S CA 0.215 58.549 58.200 0.224 0.000 1.062 610 S CB 0.262 63.591 63.200 0.215 0.000 0.865 610 S HN 0.867 nan 8.310 nan 0.000 0.498 611 T N 2.805 117.377 114.554 0.030 0.000 3.069 611 T HA 0.340 4.690 4.350 -0.000 0.000 0.252 611 T C 0.327 174.901 174.700 -0.211 0.000 1.053 611 T CA -0.399 61.666 62.100 -0.059 0.000 0.964 611 T CB 0.024 68.895 68.868 0.005 0.000 1.005 611 T HN 0.434 nan 8.240 nan 0.000 0.532 612 R N 0.290 120.587 120.500 -0.339 0.000 2.670 612 R HA 0.764 5.103 4.340 -0.000 0.000 0.289 612 R C 0.990 177.233 176.300 -0.096 0.000 0.965 612 R CA -0.237 55.681 56.100 -0.304 0.000 0.899 612 R CB 1.386 31.349 30.300 -0.562 0.000 1.173 612 R HN 0.135 nan 8.270 nan 0.000 0.456 613 A N 1.177 123.974 122.820 -0.039 0.000 1.898 613 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 613 A C 0.285 177.938 177.584 0.116 0.000 1.181 613 A CA 1.572 53.624 52.037 0.024 0.000 0.620 613 A CB -0.200 18.804 19.000 0.007 0.000 0.819 613 A HN 0.650 nan 8.150 nan 0.000 0.442 614 H N -1.958 117.098 119.070 -0.024 0.000 3.179 614 H HA 0.633 5.189 4.556 -0.001 0.000 0.331 614 H C -0.991 174.346 175.328 0.015 0.000 1.013 614 H CA -0.491 55.565 56.048 0.013 0.000 1.430 614 H CB 0.804 30.567 29.762 0.002 0.000 1.895 614 H HN 0.475 nan 8.280 nan 0.000 0.468 615 A N 3.919 126.764 122.820 0.043 0.000 2.605 615 A HA 0.534 4.853 4.320 -0.000 0.000 0.294 615 A C -1.308 176.316 177.584 0.066 0.000 1.062 615 A CA -0.940 51.094 52.037 -0.004 0.000 0.682 615 A CB 1.475 20.519 19.000 0.073 0.000 1.278 615 A HN 0.554 nan 8.150 nan 0.000 0.410 616 K N 1.150 121.573 120.400 0.038 0.000 2.249 616 K HA 0.572 4.892 4.320 -0.000 0.000 0.280 616 K C -0.896 175.761 176.600 0.095 0.000 1.033 616 K CA -0.002 56.319 56.287 0.057 0.000 0.946 616 K CB 0.244 32.753 32.500 0.015 0.000 1.005 616 K HN 0.491 nan 8.250 nan 0.000 0.469 617 I N 5.643 126.247 120.570 0.057 0.000 2.337 617 I HA 0.071 4.240 4.170 -0.000 0.000 0.291 617 I C 1.205 177.290 176.117 -0.054 0.000 1.046 617 I CA -0.103 61.179 61.300 -0.030 0.000 1.324 617 I CB 1.106 39.080 38.000 -0.043 0.000 1.409 617 I HN 0.812 nan 8.210 nan 0.000 0.494 618 K N 5.191 125.537 120.400 -0.090 0.000 2.128 618 K HA 0.068 4.387 4.320 -0.000 0.000 0.202 618 K C 0.346 176.896 176.600 -0.083 0.000 1.050 618 K CA 0.780 57.026 56.287 -0.068 0.000 0.966 618 K CB 0.360 32.827 32.500 -0.055 0.000 0.759 618 K HN 0.716 nan 8.250 nan 0.000 0.454 619 S N -0.760 114.863 115.700 -0.129 0.000 2.587 619 S HA 0.496 4.966 4.470 -0.000 0.000 0.269 619 S C -0.921 173.576 174.600 -0.173 0.000 1.154 619 S CA -1.132 56.994 58.200 -0.123 0.000 0.824 619 S CB 1.123 64.260 63.200 -0.105 0.000 1.118 619 S HN 0.120 nan 8.310 nan 0.000 0.462 620 I N 1.502 121.976 120.570 -0.160 0.000 2.478 620 I HA 0.428 4.598 4.170 -0.000 0.000 0.287 620 I C -1.528 174.445 176.117 -0.239 0.000 1.042 620 I CA -0.307 60.858 61.300 -0.225 0.000 1.067 620 I CB 1.919 39.787 38.000 -0.220 0.000 1.233 620 I HN 0.719 nan 8.210 nan 0.000 0.431 621 D N 5.648 125.894 120.400 -0.257 0.000 2.344 621 D HA 0.338 4.978 4.640 -0.000 0.000 0.239 621 D C 0.386 176.508 176.300 -0.296 0.000 1.064 621 D CA -0.459 53.403 54.000 -0.231 0.000 0.829 621 D CB 1.991 42.686 40.800 -0.176 0.000 1.129 621 D HN 0.321 nan 8.370 nan 0.000 0.506 622 V N 1.278 121.013 119.914 -0.299 0.000 3.483 622 V HA 0.183 4.303 4.120 -0.000 0.000 0.301 622 V C 1.529 177.440 176.094 -0.304 0.000 1.389 622 V CA 0.138 62.233 62.300 -0.342 0.000 1.101 622 V CB -0.028 31.586 31.823 -0.349 0.000 0.971 622 V HN 0.372 nan 8.190 nan 0.000 0.434 623 S N 1.835 117.398 115.700 -0.228 0.000 2.368 623 S HA -0.212 4.257 4.470 -0.000 0.000 0.226 623 S C 1.899 176.368 174.600 -0.219 0.000 1.044 623 S CA 2.396 60.480 58.200 -0.193 0.000 1.062 623 S CB -0.259 62.856 63.200 -0.142 0.000 0.931 623 S HN 0.806 nan 8.310 nan 0.000 0.440 624 E N 1.323 121.397 120.200 -0.210 0.000 2.112 624 E HA 0.057 4.406 4.350 -0.000 0.000 0.190 624 E C 2.393 178.848 176.600 -0.243 0.000 0.979 624 E CA 0.869 57.156 56.400 -0.188 0.000 0.814 624 E CB -0.516 29.096 29.700 -0.147 0.000 0.762 624 E HN 0.501 nan 8.360 nan 0.000 0.460 625 A N 1.905 124.532 122.820 -0.322 0.000 1.917 625 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 625 A C 2.149 179.245 177.584 -0.814 0.000 1.182 625 A CA 1.701 53.473 52.037 -0.442 0.000 0.633 625 A CB -0.648 18.095 19.000 -0.429 0.000 0.819 625 A HN 0.228 nan 8.150 nan 0.000 0.448 626 Q N -0.575 118.684 119.800 -0.901 0.000 2.226 626 Q HA -0.146 4.193 4.340 -0.000 0.000 0.204 626 Q C 1.703 177.514 176.000 -0.314 0.000 0.975 626 Q CA 1.492 56.827 55.803 -0.782 0.000 0.866 626 Q CB -0.158 28.317 28.738 -0.439 0.000 0.915 626 Q HN 0.666 nan 8.270 nan 0.000 0.440 627 K N 0.067 120.323 120.400 -0.239 0.000 2.432 627 K HA 0.051 4.371 4.320 -0.000 0.000 0.196 627 K C 0.099 176.641 176.600 -0.097 0.000 1.038 627 K CA 0.039 56.250 56.287 -0.127 0.000 0.986 627 K CB 0.437 32.873 32.500 -0.106 0.000 0.782 627 K HN -0.040 nan 8.250 nan 0.000 0.485 628 V N 3.853 123.701 119.914 -0.110 0.000 2.521 628 V HA 0.050 4.170 4.120 -0.000 0.000 0.286 628 V C -2.201 173.838 176.094 -0.092 0.000 1.034 628 V CA -1.643 60.614 62.300 -0.072 0.000 1.045 628 V CB 0.452 32.269 31.823 -0.010 0.000 0.974 628 V HN 0.051 nan 8.190 nan 0.000 0.480 629 P HA 0.230 nan 4.420 nan 0.000 0.265 629 P C 0.934 177.992 177.300 -0.405 0.000 1.193 629 P CA 1.156 64.089 63.100 -0.277 0.000 0.765 629 P CB 0.620 32.130 31.700 -0.318 0.000 0.823 630 G N 2.204 110.934 108.800 -0.116 0.000 2.179 630 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 630 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 630 G C 0.114 175.065 174.900 0.084 0.000 0.977 630 G CA -0.369 44.740 45.100 0.015 0.000 0.641 630 G HN 0.561 nan 8.290 nan 0.000 0.533 631 F N 1.298 121.226 119.950 -0.037 0.000 2.602 631 F HA 0.394 4.921 4.527 -0.000 0.000 0.385 631 F C 1.327 177.135 175.800 0.014 0.000 1.063 631 F CA 0.842 58.847 58.000 0.008 0.000 1.233 631 F CB 0.905 39.902 39.000 -0.005 0.000 1.067 631 F HN -0.071 nan 8.300 nan 0.000 0.564 632 V N 4.765 124.230 119.914 -0.748 0.000 2.599 632 V HA 0.069 4.189 4.120 -0.000 0.000 0.237 632 V C 0.504 176.120 176.094 -0.797 0.000 1.081 632 V CA 1.094 63.058 62.300 -0.559 0.000 1.107 632 V CB 0.241 31.864 31.823 -0.333 0.000 0.808 632 V HN 1.012 nan 8.190 nan 0.000 0.486 633 C N -1.828 116.848 119.300 -1.040 0.000 3.312 633 C HA 0.687 5.147 4.460 -0.000 0.000 0.332 633 C C -1.202 173.662 174.990 -0.210 0.000 1.340 633 C CA -1.358 57.340 59.018 -0.533 0.000 1.265 633 C CB 0.774 28.399 27.740 -0.193 0.000 1.563 633 C HN 0.318 nan 8.230 nan 0.000 0.471 634 F N 1.872 121.867 119.950 0.075 0.000 2.427 634 F HA 0.828 5.354 4.527 -0.000 0.000 0.346 634 F C -0.735 175.057 175.800 -0.014 0.000 1.120 634 F CA -0.985 57.067 58.000 0.086 0.000 1.033 634 F CB 0.831 39.931 39.000 0.167 0.000 1.126 634 F HN 0.679 nan 8.300 nan 0.000 0.462 635 L N 5.817 126.544 121.223 -0.825 0.000 2.325 635 L HA 0.686 5.025 4.340 -0.000 0.000 0.278 635 L C -0.233 175.893 176.870 -1.241 0.000 1.023 635 L CA -0.449 53.980 54.840 -0.685 0.000 0.811 635 L CB 1.830 43.708 42.059 -0.302 0.000 1.249 635 L HN 0.783 nan 8.230 nan 0.000 0.431 636 S N 0.906 116.193 115.700 -0.687 0.000 2.794 636 S HA 0.663 5.133 4.470 -0.000 0.000 0.299 636 S C 0.658 175.262 174.600 0.007 0.000 1.179 636 S CA -0.145 57.721 58.200 -0.556 0.000 0.838 636 S CB 1.353 64.442 63.200 -0.185 0.000 1.206 636 S HN 0.606 nan 8.310 nan 0.000 0.523 637 A N 0.789 123.699 122.820 0.149 0.000 1.948 637 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 637 A C 1.534 179.199 177.584 0.135 0.000 1.177 637 A CA 2.080 54.256 52.037 0.231 0.000 0.636 637 A CB -1.283 17.811 19.000 0.156 0.000 0.815 637 A HN 0.828 nan 8.150 nan 0.000 0.449 638 D N 0.228 120.682 120.400 0.089 0.000 2.263 638 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 638 D C 0.818 177.164 176.300 0.077 0.000 0.971 638 D CA 1.034 55.076 54.000 0.070 0.000 0.867 638 D CB -0.303 40.532 40.800 0.059 0.000 0.929 638 D HN 0.485 nan 8.370 nan 0.000 0.492 639 D N 0.238 120.694 120.400 0.094 0.000 2.347 639 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 639 D C 0.912 177.289 176.300 0.128 0.000 0.985 639 D CA 0.031 54.099 54.000 0.112 0.000 0.879 639 D CB 0.903 41.765 40.800 0.104 0.000 0.919 639 D HN 0.271 nan 8.370 nan 0.000 0.526 640 I N 3.257 123.883 120.570 0.094 0.000 2.533 640 I HA -0.017 4.153 4.170 -0.000 0.000 0.284 640 I C -0.946 175.155 176.117 -0.027 0.000 1.109 640 I CA -1.025 60.285 61.300 0.016 0.000 1.412 640 I CB 1.085 39.078 38.000 -0.011 0.000 1.396 640 I HN -0.171 nan 8.210 nan 0.000 0.543 641 P HA 0.059 nan 4.420 nan 0.000 0.230 641 P C 0.960 178.190 177.300 -0.116 0.000 1.168 641 P CA 0.631 63.657 63.100 -0.123 0.000 0.793 641 P CB 0.592 32.109 31.700 -0.306 0.000 0.851 642 G N -0.427 108.288 108.800 -0.142 0.000 2.598 642 G HA2 0.228 4.188 3.960 -0.000 0.000 0.225 642 G HA3 0.228 4.188 3.960 -0.000 0.000 0.225 642 G C -0.213 174.639 174.900 -0.080 0.000 1.631 642 G CA 0.294 45.329 45.100 -0.109 0.000 0.821 642 G HN 0.371 nan 8.290 nan 0.000 0.610 643 S N -0.777 114.868 115.700 -0.091 0.000 2.540 643 S HA 0.397 4.867 4.470 -0.000 0.000 0.275 643 S C -0.390 174.154 174.600 -0.094 0.000 1.123 643 S CA -0.607 57.546 58.200 -0.079 0.000 0.907 643 S CB 1.814 64.965 63.200 -0.082 0.000 1.081 643 S HN 0.213 nan 8.310 nan 0.000 0.476 644 N N 2.474 121.133 118.700 -0.069 0.000 2.270 644 N HA 0.131 4.870 4.740 -0.000 0.000 0.198 644 N C -0.163 175.299 175.510 -0.080 0.000 1.117 644 N CA 0.047 53.054 53.050 -0.072 0.000 0.845 644 N CB 0.302 38.778 38.487 -0.018 0.000 0.980 644 N HN 0.744 nan 8.380 nan 0.000 0.486 645 E N -0.092 120.052 120.200 -0.093 0.000 2.146 645 E HA 0.286 4.636 4.350 -0.000 0.000 0.282 645 E C -0.878 175.610 176.600 -0.187 0.000 0.989 645 E CA -0.253 56.086 56.400 -0.102 0.000 0.799 645 E CB 0.856 30.512 29.700 -0.074 0.000 1.088 645 E HN 0.047 nan 8.360 nan 0.000 0.397 646 T N 2.194 116.610 114.554 -0.231 0.000 2.681 646 T HA 0.766 5.116 4.350 -0.000 0.000 0.296 646 T C -0.699 173.752 174.700 -0.415 0.000 1.157 646 T CA 0.380 62.213 62.100 -0.445 0.000 1.025 646 T CB 1.253 69.854 68.868 -0.446 0.000 1.441 646 T HN 0.902 nan 8.240 nan 0.000 0.504 647 G N 0.544 108.936 108.800 -0.679 0.000 2.662 647 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.686 647 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.686 647 G C 0.228 175.057 174.900 -0.118 0.000 1.271 647 G CA -0.152 44.801 45.100 -0.244 0.000 0.816 647 G HN 0.964 nan 8.290 nan 0.000 0.608 648 L N -0.128 121.181 121.223 0.143 0.000 2.079 648 L HA 0.216 4.556 4.340 -0.000 0.000 0.210 648 L C 2.027 178.689 176.870 -0.346 0.000 1.081 648 L CA 2.304 57.157 54.840 0.021 0.000 0.752 648 L CB -0.385 41.670 42.059 -0.006 0.000 0.896 648 L HN 0.538 nan 8.230 nan 0.000 0.433 649 F N -0.808 119.160 119.950 0.030 0.000 2.772 649 F HA 0.271 4.798 4.527 -0.000 0.000 0.302 649 F C 0.965 176.746 175.800 -0.032 0.000 1.136 649 F CA -0.552 57.446 58.000 -0.003 0.000 1.322 649 F CB -0.284 38.699 39.000 -0.029 0.000 0.967 649 F HN -0.008 nan 8.300 nan 0.000 0.513 650 N N 1.707 120.413 118.700 0.010 0.000 2.721 650 N HA -0.205 4.534 4.740 -0.000 0.000 0.249 650 N C -0.011 175.501 175.510 0.004 0.000 1.072 650 N CA 1.363 54.390 53.050 -0.039 0.000 0.710 650 N CB -0.907 37.561 38.487 -0.032 0.000 0.993 650 N HN 0.556 nan 8.380 nan 0.000 0.547 651 D N -1.285 119.131 120.400 0.026 0.000 2.501 651 D HA 0.136 4.775 4.640 -0.000 0.000 0.224 651 D C 0.079 176.394 176.300 0.025 0.000 1.202 651 D CA 0.059 54.082 54.000 0.038 0.000 0.829 651 D CB 0.232 41.063 40.800 0.051 0.000 1.023 651 D HN 0.374 nan 8.370 nan 0.000 0.499 652 E N -0.180 120.016 120.200 -0.006 0.000 2.320 652 E HA 0.504 4.854 4.350 -0.000 0.000 0.264 652 E C -0.475 176.126 176.600 0.001 0.000 0.923 652 E CA -0.983 55.420 56.400 0.005 0.000 0.796 652 E CB 1.748 31.437 29.700 -0.018 0.000 1.262 652 E HN 0.127 nan 8.360 nan 0.000 0.428 653 T N -2.091 112.502 114.554 0.064 0.000 2.929 653 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 653 T C 1.005 175.704 174.700 -0.002 0.000 1.014 653 T CA -0.824 61.304 62.100 0.047 0.000 1.051 653 T CB 1.341 70.283 68.868 0.123 0.000 1.028 653 T HN 0.165 nan 8.240 nan 0.000 0.485 654 V N 0.519 120.369 119.914 -0.106 0.000 2.270 654 V HA 0.136 4.256 4.120 -0.000 0.000 0.245 654 V C 0.395 176.322 176.094 -0.278 0.000 1.043 654 V CA 1.142 63.279 62.300 -0.272 0.000 1.014 654 V CB -0.704 30.862 31.823 -0.429 0.000 0.645 654 V HN 0.845 nan 8.190 nan 0.000 0.447 655 F N -0.982 118.971 119.950 0.004 0.000 2.540 655 F HA 0.704 5.230 4.527 -0.001 0.000 0.317 655 F C 0.339 176.122 175.800 -0.028 0.000 1.104 655 F CA -0.991 57.002 58.000 -0.012 0.000 0.913 655 F CB 1.280 40.257 39.000 -0.038 0.000 1.170 655 F HN 0.017 nan 8.300 nan 0.000 0.450 656 A N 3.351 126.225 122.820 0.091 0.000 2.498 656 A HA 0.172 4.491 4.320 -0.000 0.000 0.239 656 A C 0.707 178.301 177.584 0.016 0.000 1.068 656 A CA 0.042 52.029 52.037 -0.084 0.000 0.766 656 A CB 0.696 19.430 19.000 -0.444 0.000 1.003 656 A HN 1.015 nan 8.150 nan 0.000 0.497 657 K N 0.060 120.479 120.400 0.031 0.000 2.274 657 K HA 0.056 4.375 4.320 -0.000 0.000 0.219 657 K C 0.522 177.142 176.600 0.033 0.000 1.058 657 K CA 0.759 57.073 56.287 0.044 0.000 0.920 657 K CB 0.246 32.778 32.500 0.054 0.000 1.124 657 K HN 0.723 nan 8.250 nan 0.000 0.464 658 D N 0.066 120.491 120.400 0.042 0.000 2.379 658 D HA 0.011 4.651 4.640 -0.000 0.000 0.218 658 D C 0.119 176.452 176.300 0.055 0.000 1.006 658 D CA 0.748 54.773 54.000 0.042 0.000 0.893 658 D CB 0.800 41.627 40.800 0.045 0.000 1.019 658 D HN 0.360 nan 8.370 nan 0.000 0.503 659 T N -0.723 113.879 114.554 0.080 0.000 2.912 659 T HA 0.550 4.900 4.350 -0.000 0.000 0.299 659 T C -0.194 174.596 174.700 0.149 0.000 1.052 659 T CA -1.000 61.178 62.100 0.129 0.000 0.996 659 T CB 2.522 71.496 68.868 0.176 0.000 1.070 659 T HN -0.087 nan 8.240 nan 0.000 0.465 660 V N 0.216 120.258 119.914 0.213 0.000 2.532 660 V HA 0.827 4.946 4.120 -0.000 0.000 0.295 660 V C 0.665 177.040 176.094 0.467 0.000 1.041 660 V CA -0.175 62.311 62.300 0.310 0.000 0.926 660 V CB 1.165 33.135 31.823 0.245 0.000 0.992 660 V HN 1.210 nan 8.190 nan 0.000 0.457 661 T N -1.069 113.834 114.554 0.582 0.000 3.091 661 T HA 0.403 4.753 4.350 -0.000 0.000 0.277 661 T C 0.228 174.941 174.700 0.021 0.000 0.996 661 T CA 0.363 62.560 62.100 0.162 0.000 0.897 661 T CB -0.681 68.192 68.868 0.009 0.000 1.109 661 T HN 1.663 nan 8.240 nan 0.000 0.534 662 C N -1.588 117.770 119.300 0.096 0.000 3.292 662 C HA 0.688 5.147 4.460 -0.000 0.000 0.338 662 C C 1.283 176.330 174.990 0.096 0.000 1.323 662 C CA -0.677 58.366 59.018 0.042 0.000 1.232 662 C CB 0.803 28.527 27.740 -0.026 0.000 1.517 662 C HN 0.010 nan 8.230 nan 0.000 0.470 663 V N 1.999 121.949 119.914 0.060 0.000 2.332 663 V HA 0.004 4.124 4.120 -0.000 0.000 0.248 663 V C 2.407 178.561 176.094 0.099 0.000 1.055 663 V CA 2.928 65.264 62.300 0.060 0.000 1.038 663 V CB -0.876 30.968 31.823 0.035 0.000 0.651 663 V HN 1.222 nan 8.190 nan 0.000 0.450 664 G N -2.007 106.857 108.800 0.106 0.000 3.327 664 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.240 664 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.240 664 G C 0.344 175.358 174.900 0.190 0.000 1.222 664 G CA -0.336 44.841 45.100 0.128 0.000 0.871 664 G HN 0.634 nan 8.290 nan 0.000 0.525 665 H N 0.379 119.508 119.070 0.098 0.000 3.004 665 H HA 0.183 4.738 4.556 -0.001 0.000 0.316 665 H C 0.173 175.587 175.328 0.144 0.000 1.014 665 H CA -0.739 55.377 56.048 0.114 0.000 1.454 665 H CB 0.559 30.392 29.762 0.117 0.000 1.472 665 H HN 0.023 nan 8.280 nan 0.000 0.571 666 I N 7.278 128.087 120.570 0.398 0.000 2.452 666 I HA -0.109 4.061 4.170 -0.000 0.000 0.287 666 I C 0.866 177.112 176.117 0.215 0.000 1.079 666 I CA 0.372 61.842 61.300 0.284 0.000 1.387 666 I CB 0.746 38.932 38.000 0.310 0.000 1.404 666 I HN 0.701 nan 8.210 nan 0.000 0.522 667 I N 4.632 125.288 120.570 0.142 0.000 3.339 667 I HA 0.303 4.473 4.170 -0.000 0.000 0.285 667 I C 1.165 177.204 176.117 -0.131 0.000 1.201 667 I CA 0.197 61.531 61.300 0.056 0.000 1.434 667 I CB 0.245 38.294 38.000 0.080 0.000 1.152 667 I HN 0.743 nan 8.210 nan 0.000 0.443 668 G N 0.395 109.019 108.800 -0.294 0.000 2.428 668 G HA2 0.719 4.679 3.960 -0.000 0.000 0.304 668 G HA3 0.719 4.679 3.960 -0.000 0.000 0.304 668 G C -2.112 172.437 174.900 -0.586 0.000 1.303 668 G CA 0.096 44.594 45.100 -1.003 0.000 0.825 668 G HN 0.167 nan 8.290 nan 0.000 0.484 669 A N -1.171 121.221 122.820 -0.714 0.000 2.547 669 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 669 A C -1.243 176.279 177.584 -0.103 0.000 1.056 669 A CA -0.443 51.480 52.037 -0.189 0.000 0.688 669 A CB 1.788 20.771 19.000 -0.028 0.000 1.282 669 A HN 1.535 nan 8.150 nan 0.000 0.400 670 V N 1.688 121.685 119.914 0.138 0.000 2.472 670 V HA 0.555 4.674 4.120 -0.000 0.000 0.290 670 V C -0.195 175.949 176.094 0.084 0.000 1.037 670 V CA -0.424 62.001 62.300 0.208 0.000 0.908 670 V CB 1.599 33.634 31.823 0.354 0.000 0.985 670 V HN 0.696 nan 8.190 nan 0.000 0.454 671 V N 3.715 123.604 119.914 -0.042 0.000 2.555 671 V HA 0.948 5.068 4.120 -0.000 0.000 0.302 671 V C 0.211 176.238 176.094 -0.112 0.000 1.038 671 V CA -0.168 62.097 62.300 -0.058 0.000 0.887 671 V CB 1.414 33.167 31.823 -0.116 0.000 0.991 671 V HN 1.100 nan 8.190 nan 0.000 0.434 672 A N 2.698 125.543 122.820 0.042 0.000 2.583 672 A HA 0.680 5.000 4.320 -0.000 0.000 0.289 672 A C 0.330 178.038 177.584 0.207 0.000 1.151 672 A CA -0.036 52.055 52.037 0.091 0.000 0.695 672 A CB 1.467 20.582 19.000 0.192 0.000 1.290 672 A HN 0.752 nan 8.150 nan 0.000 0.419 673 D N -0.376 120.156 120.400 0.219 0.000 2.347 673 D HA 0.049 4.688 4.640 -0.000 0.000 0.213 673 D C 0.645 177.131 176.300 0.311 0.000 0.985 673 D CA 1.569 55.728 54.000 0.266 0.000 0.879 673 D CB -0.104 40.815 40.800 0.199 0.000 0.919 673 D HN 0.769 nan 8.370 nan 0.000 0.526 674 T N -4.376 110.262 114.554 0.141 0.000 2.896 674 T HA 0.418 4.767 4.350 -0.000 0.000 0.297 674 T C -2.424 172.026 174.700 -0.416 0.000 1.108 674 T CA -1.546 60.352 62.100 -0.337 0.000 1.004 674 T CB 2.828 71.462 68.868 -0.389 0.000 1.159 674 T HN -0.362 nan 8.240 nan 0.000 0.499 675 P HA -0.001 nan 4.420 nan 0.000 0.219 675 P C 0.921 178.130 177.300 -0.153 0.000 1.150 675 P CA 1.077 63.965 63.100 -0.353 0.000 0.814 675 P CB 0.203 31.669 31.700 -0.390 0.000 0.787 676 E N -1.007 119.058 120.200 -0.224 0.000 2.106 676 E HA -0.182 4.167 4.350 -0.000 0.000 0.192 676 E C 2.136 178.724 176.600 -0.020 0.000 0.984 676 E CA 1.079 57.395 56.400 -0.140 0.000 0.806 676 E CB -0.839 28.732 29.700 -0.214 0.000 0.750 676 E HN 0.395 nan 8.360 nan 0.000 0.458 677 H N -0.176 118.892 119.070 -0.003 0.000 2.389 677 H HA 0.118 4.674 4.556 -0.001 0.000 0.299 677 H C 1.977 177.366 175.328 0.102 0.000 1.081 677 H CA 1.231 57.312 56.048 0.055 0.000 1.345 677 H CB -0.549 29.252 29.762 0.064 0.000 1.393 677 H HN 0.228 nan 8.280 nan 0.000 0.520 678 A N 0.901 123.850 122.820 0.214 0.000 1.902 678 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 678 A C 2.393 180.085 177.584 0.180 0.000 1.181 678 A CA 1.857 54.014 52.037 0.201 0.000 0.623 678 A CB -0.434 18.680 19.000 0.190 0.000 0.818 678 A HN 0.529 nan 8.150 nan 0.000 0.443 679 E N -0.495 119.786 120.200 0.135 0.000 2.051 679 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 679 E C 2.294 178.982 176.600 0.147 0.000 0.991 679 E CA 1.088 57.560 56.400 0.121 0.000 0.799 679 E CB -0.138 29.604 29.700 0.070 0.000 0.748 679 E HN 0.560 nan 8.360 nan 0.000 0.449 680 R N -0.187 120.404 120.500 0.152 0.000 2.083 680 R HA -0.156 4.183 4.340 -0.000 0.000 0.237 680 R C 2.368 178.768 176.300 0.166 0.000 1.137 680 R CA 1.402 57.600 56.100 0.163 0.000 0.951 680 R CB -0.313 30.089 30.300 0.170 0.000 0.851 680 R HN 0.239 nan 8.270 nan 0.000 0.434 681 A N 0.536 123.463 122.820 0.178 0.000 1.902 681 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 681 A C 2.292 179.963 177.584 0.144 0.000 1.181 681 A CA 1.665 53.799 52.037 0.162 0.000 0.623 681 A CB -0.651 18.536 19.000 0.311 0.000 0.818 681 A HN 0.464 nan 8.150 nan 0.000 0.443 682 A N -0.834 122.098 122.820 0.186 0.000 1.902 682 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 682 A C 2.020 179.689 177.584 0.141 0.000 1.181 682 A CA 2.113 54.255 52.037 0.175 0.000 0.623 682 A CB -0.870 18.243 19.000 0.187 0.000 0.818 682 A HN 0.781 nan 8.150 nan 0.000 0.443 683 H N -0.749 118.361 119.070 0.066 0.000 2.457 683 H HA 0.032 4.588 4.556 -0.001 0.000 0.294 683 H C 1.265 176.605 175.328 0.020 0.000 1.064 683 H CA 1.708 57.784 56.048 0.047 0.000 1.330 683 H CB -0.031 29.759 29.762 0.046 0.000 1.395 683 H HN 0.142 nan 8.280 nan 0.000 0.541 684 V N 0.551 120.376 119.914 -0.148 0.000 3.647 684 V HA 0.080 4.200 4.120 -0.000 0.000 0.279 684 V C 0.321 176.303 176.094 -0.186 0.000 1.314 684 V CA 0.128 62.300 62.300 -0.213 0.000 1.125 684 V CB 0.196 31.946 31.823 -0.122 0.000 0.907 684 V HN 0.112 nan 8.190 nan 0.000 0.434 685 V N 1.758 121.581 119.914 -0.152 0.000 2.521 685 V HA 0.147 4.267 4.120 -0.000 0.000 0.286 685 V C 0.215 176.194 176.094 -0.190 0.000 1.034 685 V CA -0.003 62.175 62.300 -0.202 0.000 1.045 685 V CB 0.912 32.620 31.823 -0.192 0.000 0.974 685 V HN 0.338 nan 8.190 nan 0.000 0.480 686 K N 4.125 124.396 120.400 -0.216 0.000 2.293 686 K HA 0.562 4.882 4.320 -0.000 0.000 0.267 686 K C -0.914 175.558 176.600 -0.213 0.000 1.010 686 K CA -0.214 55.966 56.287 -0.180 0.000 0.875 686 K CB 1.692 34.098 32.500 -0.157 0.000 1.106 686 K HN 0.469 nan 8.250 nan 0.000 0.450 687 V N 2.951 122.731 119.914 -0.223 0.000 2.435 687 V HA 0.393 4.513 4.120 -0.000 0.000 0.290 687 V C -0.159 175.640 176.094 -0.492 0.000 1.030 687 V CA -0.816 61.250 62.300 -0.389 0.000 0.881 687 V CB 1.818 33.337 31.823 -0.506 0.000 0.983 687 V HN 0.726 nan 8.190 nan 0.000 0.445 688 T N 5.013 119.302 114.554 -0.442 0.000 2.799 688 T HA 0.634 4.983 4.350 -0.000 0.000 0.286 688 T C -0.816 173.642 174.700 -0.403 0.000 0.973 688 T CA -0.070 61.841 62.100 -0.316 0.000 1.035 688 T CB 0.451 69.224 68.868 -0.158 0.000 0.932 688 T HN 0.453 nan 8.240 nan 0.000 0.469 689 Y N 0.908 121.198 120.300 -0.017 0.000 2.549 689 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 689 Y C 0.569 176.458 175.900 -0.019 0.000 1.053 689 Y CA -1.193 56.899 58.100 -0.013 0.000 1.105 689 Y CB 1.548 40.005 38.460 -0.004 0.000 1.258 689 Y HN 0.546 nan 8.280 nan 0.000 0.478 690 E N 1.923 122.213 120.200 0.149 0.000 2.182 690 E HA 0.199 4.549 4.350 -0.000 0.000 0.258 690 E C -1.508 175.112 176.600 0.033 0.000 0.879 690 E CA -0.845 55.595 56.400 0.067 0.000 0.754 690 E CB 0.704 30.418 29.700 0.024 0.000 1.162 690 E HN 0.584 nan 8.360 nan 0.000 0.419 691 D N 3.453 123.861 120.400 0.013 0.000 2.443 691 D HA 0.174 4.814 4.640 -0.000 0.000 0.239 691 D C -0.190 176.060 176.300 -0.084 0.000 1.136 691 D CA 0.508 54.486 54.000 -0.036 0.000 0.879 691 D CB 0.705 41.488 40.800 -0.029 0.000 1.195 691 D HN 0.391 nan 8.370 nan 0.000 0.443 692 L N 2.941 124.066 121.223 -0.163 0.000 2.319 692 L HA 0.459 4.799 4.340 -0.000 0.000 0.267 692 L C -2.187 174.623 176.870 -0.101 0.000 1.011 692 L CA -2.102 52.597 54.840 -0.235 0.000 0.818 692 L CB 1.676 43.352 42.059 -0.638 0.000 1.316 692 L HN 0.162 nan 8.230 nan 0.000 0.432 693 P HA 0.208 nan 4.420 nan 0.000 0.271 693 P C -1.118 176.268 177.300 0.144 0.000 1.220 693 P CA -0.124 63.001 63.100 0.041 0.000 0.768 693 P CB 0.877 32.593 31.700 0.026 0.000 0.848 694 A N 3.591 126.463 122.820 0.086 0.000 2.330 694 A HA 0.760 5.080 4.320 -0.000 0.000 0.329 694 A C -0.585 176.989 177.584 -0.016 0.000 1.135 694 A CA -0.784 51.294 52.037 0.069 0.000 0.817 694 A CB 0.759 19.791 19.000 0.052 0.000 1.269 694 A HN 0.496 nan 8.150 nan 0.000 0.469 695 I N 1.835 122.365 120.570 -0.068 0.000 2.411 695 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 695 I C -0.123 175.922 176.117 -0.119 0.000 1.012 695 I CA 0.086 61.323 61.300 -0.105 0.000 1.119 695 I CB 1.547 39.460 38.000 -0.145 0.000 1.261 695 I HN 0.687 nan 8.210 nan 0.000 0.448 696 I N 2.883 123.384 120.570 -0.115 0.000 3.443 696 I HA 0.037 4.207 4.170 -0.000 0.000 0.277 696 I C 1.185 177.213 176.117 -0.149 0.000 1.169 696 I CA 0.470 61.686 61.300 -0.140 0.000 1.419 696 I CB 0.464 38.384 38.000 -0.133 0.000 1.331 696 I HN 0.574 nan 8.210 nan 0.000 0.458 697 T N -1.142 113.339 114.554 -0.121 0.000 2.899 697 T HA 0.370 4.719 4.350 -0.000 0.000 0.284 697 T C 1.237 175.886 174.700 -0.086 0.000 1.004 697 T CA -0.470 61.567 62.100 -0.104 0.000 1.043 697 T CB 1.483 70.291 68.868 -0.100 0.000 1.013 697 T HN 0.065 nan 8.240 nan 0.000 0.518 698 I N 0.692 121.238 120.570 -0.040 0.000 2.264 698 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 698 I C 2.495 178.561 176.117 -0.085 0.000 1.111 698 I CA 1.469 62.758 61.300 -0.018 0.000 1.382 698 I CB -0.383 37.664 38.000 0.079 0.000 1.060 698 I HN 0.706 nan 8.210 nan 0.000 0.418 699 E N 0.873 121.017 120.200 -0.093 0.000 2.051 699 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 699 E C 1.789 178.320 176.600 -0.114 0.000 0.991 699 E CA 1.284 57.618 56.400 -0.109 0.000 0.799 699 E CB -0.363 29.283 29.700 -0.090 0.000 0.748 699 E HN 0.371 nan 8.360 nan 0.000 0.449 700 D N 0.203 120.537 120.400 -0.109 0.000 2.116 700 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 700 D C 1.824 178.026 176.300 -0.163 0.000 0.998 700 D CA 1.789 55.719 54.000 -0.117 0.000 0.836 700 D CB -0.416 40.317 40.800 -0.110 0.000 0.951 700 D HN 0.236 nan 8.370 nan 0.000 0.449 701 A N 0.348 123.050 122.820 -0.197 0.000 1.898 701 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 701 A C 2.422 179.741 177.584 -0.441 0.000 1.181 701 A CA 0.837 52.678 52.037 -0.325 0.000 0.620 701 A CB -0.663 18.155 19.000 -0.304 0.000 0.819 701 A HN 0.199 nan 8.150 nan 0.000 0.442 702 I N -0.293 120.128 120.570 -0.249 0.000 2.226 702 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 702 I C 2.539 178.598 176.117 -0.097 0.000 1.100 702 I CA 1.848 63.092 61.300 -0.093 0.000 1.374 702 I CB -0.190 37.743 38.000 -0.112 0.000 1.057 702 I HN 0.358 nan 8.210 nan 0.000 0.413 703 K N 0.876 121.206 120.400 -0.117 0.000 2.209 703 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 703 K C 1.230 177.772 176.600 -0.097 0.000 1.048 703 K CA 1.297 57.534 56.287 -0.084 0.000 0.940 703 K CB -0.017 32.438 32.500 -0.076 0.000 0.729 703 K HN 0.384 nan 8.250 nan 0.000 0.451 704 N N 1.196 119.800 118.700 -0.160 0.000 2.230 704 N HA -0.027 4.713 4.740 -0.000 0.000 0.202 704 N C -0.549 174.831 175.510 -0.217 0.000 1.119 704 N CA 0.047 52.999 53.050 -0.163 0.000 0.851 704 N CB 0.228 38.615 38.487 -0.167 0.000 0.990 704 N HN 0.169 nan 8.380 nan 0.000 0.497 705 N N 0.601 119.139 118.700 -0.271 0.000 2.708 705 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 705 N C -0.795 174.367 175.510 -0.580 0.000 1.017 705 N CA 0.395 53.252 53.050 -0.323 0.000 0.742 705 N CB -0.840 37.654 38.487 0.011 0.000 0.943 705 N HN 0.011 nan 8.380 nan 0.000 0.539 706 S N 0.751 115.939 115.700 -0.853 0.000 2.955 706 S HA 0.488 4.957 4.470 -0.000 0.000 0.294 706 S C -0.660 173.426 174.600 -0.856 0.000 1.198 706 S CA -0.463 57.345 58.200 -0.654 0.000 1.008 706 S CB -0.285 62.636 63.200 -0.465 0.000 1.279 706 S HN 0.289 nan 8.310 nan 0.000 0.508 707 F N 2.421 122.264 119.950 -0.179 0.000 2.577 707 F HA 0.461 4.988 4.527 -0.001 0.000 0.318 707 F C -0.451 175.222 175.800 -0.213 0.000 1.065 707 F CA -1.300 56.592 58.000 -0.179 0.000 0.929 707 F CB 1.253 40.226 39.000 -0.044 0.000 1.237 707 F HN 0.282 nan 8.300 nan 0.000 0.468 708 Y N 1.241 121.650 120.300 0.183 0.000 2.327 708 Y HA 0.480 5.030 4.550 -0.000 0.000 0.336 708 Y C 0.925 176.858 175.900 0.056 0.000 1.035 708 Y CA 0.178 58.321 58.100 0.072 0.000 1.165 708 Y CB 0.917 39.390 38.460 0.022 0.000 1.181 708 Y HN 0.913 nan 8.280 nan 0.000 0.494 709 G N 2.167 111.078 108.800 0.186 0.000 2.601 709 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.252 709 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.252 709 G C -0.510 174.429 174.900 0.065 0.000 1.294 709 G CA -0.330 44.823 45.100 0.088 0.000 0.912 709 G HN 0.856 nan 8.290 nan 0.000 0.574 710 S N -0.904 114.809 115.700 0.022 0.000 2.739 710 S HA 0.663 5.133 4.470 -0.000 0.000 0.306 710 S C -0.015 174.541 174.600 -0.073 0.000 1.115 710 S CA 0.084 58.273 58.200 -0.019 0.000 0.985 710 S CB 2.025 65.218 63.200 -0.012 0.000 1.133 710 S HN 1.039 nan 8.310 nan 0.000 0.541 711 E N 0.199 120.330 120.200 -0.116 0.000 2.529 711 E HA 0.073 4.423 4.350 -0.000 0.000 0.259 711 E C -1.074 175.444 176.600 -0.136 0.000 0.966 711 E CA -0.035 56.271 56.400 -0.156 0.000 0.937 711 E CB 0.220 29.837 29.700 -0.140 0.000 0.923 711 E HN 0.446 nan 8.360 nan 0.000 0.468 712 L N 4.703 125.810 121.223 -0.193 0.000 2.357 712 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 712 L C 0.127 176.932 176.870 -0.109 0.000 1.080 712 L CA -0.175 54.520 54.840 -0.241 0.000 0.803 712 L CB 1.109 42.912 42.059 -0.427 0.000 1.174 712 L HN 0.529 nan 8.230 nan 0.000 0.443 713 K N 3.236 123.642 120.400 0.011 0.000 2.523 713 K HA 0.605 4.924 4.320 -0.000 0.000 0.257 713 K C -1.713 175.059 176.600 0.286 0.000 0.932 713 K CA -0.538 55.822 56.287 0.121 0.000 0.812 713 K CB 1.966 34.520 32.500 0.089 0.000 1.326 713 K HN 0.451 nan 8.250 nan 0.000 0.433 714 I N 2.588 123.315 120.570 0.262 0.000 2.466 714 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 714 I C -0.875 175.381 176.117 0.232 0.000 1.026 714 I CA -0.586 60.888 61.300 0.290 0.000 1.078 714 I CB 2.113 40.313 38.000 0.333 0.000 1.249 714 I HN 0.618 nan 8.210 nan 0.000 0.429 715 E N 6.757 127.074 120.200 0.195 0.000 2.272 715 E HA 0.517 4.866 4.350 -0.000 0.000 0.269 715 E C -1.435 175.244 176.600 0.132 0.000 0.877 715 E CA -0.817 55.670 56.400 0.145 0.000 0.755 715 E CB 2.291 32.055 29.700 0.107 0.000 1.192 715 E HN 0.458 nan 8.360 nan 0.000 0.422 716 K N 2.866 123.332 120.400 0.110 0.000 2.502 716 K HA 0.616 4.935 4.320 -0.000 0.000 0.257 716 K C -0.194 176.430 176.600 0.039 0.000 0.938 716 K CA 0.125 56.462 56.287 0.083 0.000 0.819 716 K CB 1.665 34.231 32.500 0.110 0.000 1.333 716 K HN 0.746 nan 8.250 nan 0.000 0.434 717 G N 2.268 111.080 108.800 0.020 0.000 2.553 717 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.242 717 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.242 717 G C -1.233 173.662 174.900 -0.007 0.000 1.277 717 G CA 0.202 45.298 45.100 -0.006 0.000 0.910 717 G HN 0.704 nan 8.290 nan 0.000 0.576 718 D N -0.357 120.026 120.400 -0.027 0.000 2.476 718 D HA 0.567 5.206 4.640 -0.000 0.000 0.251 718 D C 1.523 177.797 176.300 -0.043 0.000 1.291 718 D CA -0.539 53.449 54.000 -0.019 0.000 0.939 718 D CB 0.931 41.724 40.800 -0.012 0.000 1.221 718 D HN 0.383 nan 8.370 nan 0.000 0.567 719 L N 2.337 123.547 121.223 -0.021 0.000 2.046 719 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 719 L C 1.517 178.423 176.870 0.060 0.000 1.077 719 L CA 0.827 55.652 54.840 -0.024 0.000 0.747 719 L CB -0.067 42.044 42.059 0.087 0.000 0.896 719 L HN 0.356 nan 8.230 nan 0.000 0.432 720 K N 0.608 121.056 120.400 0.081 0.000 2.278 720 K HA -0.008 4.311 4.320 -0.000 0.000 0.237 720 K C 0.383 177.009 176.600 0.043 0.000 1.229 720 K CA 0.331 56.672 56.287 0.090 0.000 1.155 720 K CB 0.089 32.628 32.500 0.065 0.000 1.590 720 K HN 0.214 nan 8.250 nan 0.000 0.290 721 K N -0.388 120.030 120.400 0.029 0.000 1.934 721 K HA -0.082 4.238 4.320 -0.000 0.000 0.141 721 K C 1.372 177.948 176.600 -0.040 0.000 2.505 721 K CA 0.627 56.911 56.287 -0.005 0.000 1.204 721 K CB -1.067 31.423 32.500 -0.016 0.000 2.779 721 K HN 0.316 nan 8.250 nan 0.000 0.384 722 G N 1.043 109.782 108.800 -0.102 0.000 2.446 722 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 722 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 722 G C 1.209 175.980 174.900 -0.215 0.000 1.168 722 G CA 1.264 46.237 45.100 -0.210 0.000 0.771 722 G HN 0.243 nan 8.290 nan 0.000 0.551 723 F N 1.673 121.592 119.950 -0.051 0.000 2.259 723 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 723 F C 3.173 178.936 175.800 -0.062 0.000 1.088 723 F CA 1.096 59.058 58.000 -0.063 0.000 1.358 723 F CB 0.052 39.017 39.000 -0.059 0.000 1.040 723 F HN 0.275 nan 8.300 nan 0.000 0.505 724 S N -0.090 115.684 115.700 0.124 0.000 2.419 724 S HA -0.262 4.208 4.470 -0.000 0.000 0.233 724 S C 1.729 176.340 174.600 0.018 0.000 1.016 724 S CA 1.667 59.899 58.200 0.054 0.000 0.974 724 S CB -0.339 62.880 63.200 0.032 0.000 0.786 724 S HN 0.452 nan 8.310 nan 0.000 0.492 725 E N 1.792 121.992 120.200 -0.002 0.000 2.400 725 E HA 0.415 4.765 4.350 -0.000 0.000 0.195 725 E C 0.633 177.212 176.600 -0.035 0.000 1.012 725 E CA 0.437 56.823 56.400 -0.024 0.000 0.875 725 E CB -0.151 29.527 29.700 -0.037 0.000 0.859 725 E HN 0.648 nan 8.360 nan 0.000 0.498 726 A N 1.162 123.964 122.820 -0.031 0.000 2.520 726 A HA 0.027 4.347 4.320 -0.000 0.000 0.245 726 A C 0.681 178.206 177.584 -0.098 0.000 1.072 726 A CA 0.182 52.181 52.037 -0.065 0.000 0.761 726 A CB 0.191 19.176 19.000 -0.026 0.000 1.004 726 A HN 0.207 nan 8.150 nan 0.000 0.499 727 D N 1.094 121.412 120.400 -0.137 0.000 2.117 727 D HA -0.044 4.595 4.640 -0.000 0.000 0.198 727 D C 0.388 176.550 176.300 -0.230 0.000 0.982 727 D CA 1.381 55.296 54.000 -0.142 0.000 0.828 727 D CB 0.179 40.918 40.800 -0.101 0.000 0.967 727 D HN 0.622 nan 8.370 nan 0.000 0.464 728 N N -0.675 117.741 118.700 -0.473 0.000 2.405 728 N HA 0.381 5.121 4.740 -0.000 0.000 0.285 728 N C -1.282 173.756 175.510 -0.788 0.000 1.262 728 N CA -0.448 52.204 53.050 -0.663 0.000 0.773 728 N CB 3.282 41.207 38.487 -0.937 0.000 1.490 728 N HN -0.266 nan 8.380 nan 0.000 0.486 729 V N 1.061 120.710 119.914 -0.441 0.000 2.876 729 V HA 0.545 4.665 4.120 -0.000 0.000 0.312 729 V C -0.483 175.661 176.094 0.083 0.000 1.085 729 V CA -0.711 61.493 62.300 -0.160 0.000 0.945 729 V CB 2.332 34.095 31.823 -0.100 0.000 1.017 729 V HN 0.329 nan 8.190 nan 0.000 0.428 730 V N 2.763 122.856 119.914 0.299 0.000 2.656 730 V HA 0.801 4.921 4.120 -0.000 0.000 0.307 730 V C -0.169 176.013 176.094 0.147 0.000 1.051 730 V CA -0.287 62.178 62.300 0.275 0.000 0.893 730 V CB 2.221 34.288 31.823 0.406 0.000 0.999 730 V HN 1.057 nan 8.190 nan 0.000 0.426 731 S N 2.749 118.451 115.700 0.003 0.000 2.599 731 S HA 1.028 5.498 4.470 -0.000 0.000 0.287 731 S C -0.348 174.015 174.600 -0.394 0.000 1.105 731 S CA 0.002 58.072 58.200 -0.217 0.000 0.899 731 S CB 2.406 65.498 63.200 -0.180 0.000 1.100 731 S HN 1.614 nan 8.310 nan 0.000 0.482 732 G N 0.238 108.528 108.800 -0.851 0.000 2.340 732 G HA2 0.495 4.454 3.960 -0.000 0.000 0.299 732 G HA3 0.495 4.454 3.960 -0.000 0.000 0.299 732 G C -2.155 172.385 174.900 -0.600 0.000 1.291 732 G CA -0.662 44.058 45.100 -0.634 0.000 0.841 732 G HN 0.899 nan 8.290 nan 0.000 0.500 733 E N -1.072 119.078 120.200 -0.084 0.000 2.314 733 E HA 0.658 5.008 4.350 -0.000 0.000 0.272 733 E C -1.970 174.842 176.600 0.353 0.000 0.884 733 E CA -0.741 55.751 56.400 0.153 0.000 0.753 733 E CB 2.549 32.313 29.700 0.107 0.000 1.213 733 E HN 0.519 nan 8.360 nan 0.000 0.432 734 L N 4.085 125.567 121.223 0.432 0.000 2.422 734 L HA 0.533 4.873 4.340 -0.000 0.000 0.264 734 L C -2.057 175.088 176.870 0.457 0.000 0.984 734 L CA -0.631 54.472 54.840 0.438 0.000 0.819 734 L CB 1.762 44.073 42.059 0.420 0.000 1.330 734 L HN 0.628 nan 8.230 nan 0.000 0.410 735 Y N 4.831 125.311 120.300 0.300 0.000 2.446 735 Y HA 0.709 5.259 4.550 -0.000 0.000 0.345 735 Y C -1.297 174.754 175.900 0.251 0.000 0.984 735 Y CA -0.909 57.350 58.100 0.266 0.000 1.058 735 Y CB 1.731 40.314 38.460 0.205 0.000 1.220 735 Y HN 0.621 nan 8.280 nan 0.000 0.455 736 I N 5.841 126.143 120.570 -0.447 0.000 2.439 736 I HA 0.622 4.792 4.170 -0.000 0.000 0.285 736 I C 0.162 175.822 176.117 -0.763 0.000 1.021 736 I CA -0.483 60.544 61.300 -0.454 0.000 1.091 736 I CB 0.830 38.668 38.000 -0.270 0.000 1.242 736 I HN 0.853 nan 8.210 nan 0.000 0.439 737 G N 4.564 113.073 108.800 -0.485 0.000 2.664 737 G HA2 0.391 4.351 3.960 -0.000 0.000 0.242 737 G HA3 0.391 4.351 3.960 -0.000 0.000 0.242 737 G C 0.458 175.273 174.900 -0.142 0.000 1.225 737 G CA 0.085 45.077 45.100 -0.181 0.000 0.849 737 G HN 0.853 nan 8.290 nan 0.000 0.581 738 G N -1.285 107.516 108.800 0.001 0.000 2.486 738 G HA2 0.475 4.435 3.960 -0.000 0.000 0.272 738 G HA3 0.475 4.435 3.960 -0.000 0.000 0.272 738 G C -0.146 174.725 174.900 -0.048 0.000 1.426 738 G CA -0.113 44.983 45.100 -0.007 0.000 1.058 738 G HN 0.751 nan 8.290 nan 0.000 0.531 739 Q N -1.425 118.357 119.800 -0.030 0.000 2.403 739 Q HA 0.249 4.589 4.340 -0.000 0.000 0.267 739 Q C -2.176 173.907 176.000 0.138 0.000 0.991 739 Q CA -0.635 55.165 55.803 -0.005 0.000 0.906 739 Q CB 2.240 30.722 28.738 -0.427 0.000 1.422 739 Q HN 0.618 nan 8.270 nan 0.000 0.400 740 D N -0.063 120.426 120.400 0.147 0.000 2.210 740 D HA 0.226 4.866 4.640 -0.000 0.000 0.249 740 D C 0.520 176.912 176.300 0.153 0.000 1.062 740 D CA 0.002 53.999 54.000 -0.005 0.000 0.891 740 D CB 0.943 41.505 40.800 -0.397 0.000 1.186 740 D HN 0.584 nan 8.370 nan 0.000 0.432 741 H N 2.762 121.779 119.070 -0.089 0.000 2.353 741 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 741 H C 0.514 175.657 175.328 -0.309 0.000 1.090 741 H CA 1.111 56.864 56.048 -0.491 0.000 1.327 741 H CB -0.220 29.135 29.762 -0.679 0.000 1.383 741 H HN 0.520 nan 8.280 nan 0.000 0.508 742 F N 0.347 120.024 119.950 -0.454 0.000 3.079 742 F HA -0.289 4.237 4.527 -0.000 0.000 0.274 742 F C -0.628 175.076 175.800 -0.160 0.000 0.940 742 F CA -0.503 57.333 58.000 -0.275 0.000 0.932 742 F CB -1.723 37.266 39.000 -0.019 0.000 0.891 742 F HN 0.150 nan 8.300 nan 0.000 0.722 743 Y N -0.884 119.595 120.300 0.298 0.000 2.805 743 Y HA 0.070 4.620 4.550 -0.000 0.000 0.337 743 Y C 1.133 177.125 175.900 0.153 0.000 1.252 743 Y CA -0.916 57.388 58.100 0.340 0.000 1.515 743 Y CB 0.020 38.575 38.460 0.158 0.000 1.305 743 Y HN 0.077 nan 8.280 nan 0.000 0.600 744 L N 1.023 122.455 121.223 0.347 0.000 2.093 744 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 744 L C 1.069 178.001 176.870 0.103 0.000 1.085 744 L CA 1.406 56.366 54.840 0.200 0.000 0.755 744 L CB -0.639 41.511 42.059 0.151 0.000 0.904 744 L HN 0.860 nan 8.230 nan 0.000 0.435 745 E N 0.781 121.028 120.200 0.078 0.000 2.130 745 E HA 0.140 4.490 4.350 -0.000 0.000 0.284 745 E C -0.038 176.561 176.600 -0.001 0.000 1.018 745 E CA -0.253 56.138 56.400 -0.015 0.000 0.817 745 E CB 0.966 30.607 29.700 -0.098 0.000 1.078 745 E HN 0.258 nan 8.360 nan 0.000 0.396 746 T N 1.418 115.989 114.554 0.028 0.000 2.729 746 T HA 0.128 4.478 4.350 -0.000 0.000 0.298 746 T C 0.619 175.239 174.700 -0.134 0.000 1.013 746 T CA -0.542 61.585 62.100 0.044 0.000 0.957 746 T CB 0.419 69.360 68.868 0.122 0.000 1.130 746 T HN 0.437 nan 8.240 nan 0.000 0.526 747 H N -1.043 117.968 119.070 -0.097 0.000 2.815 747 H HA 0.362 4.918 4.556 -0.001 0.000 0.350 747 H C -0.202 175.109 175.328 -0.029 0.000 1.080 747 H CA 0.020 56.002 56.048 -0.111 0.000 1.433 747 H CB 0.630 30.355 29.762 -0.062 0.000 1.432 747 H HN 0.673 nan 8.280 nan 0.000 0.592 748 C N 3.019 122.364 119.300 0.074 0.000 2.811 748 C HA 0.396 4.856 4.460 -0.000 0.000 0.352 748 C C -0.681 174.357 174.990 0.081 0.000 1.098 748 C CA -0.185 58.879 59.018 0.078 0.000 1.295 748 C CB 1.067 28.842 27.740 0.058 0.000 1.758 748 C HN 0.888 nan 8.230 nan 0.000 0.488 749 T N 5.903 120.512 114.554 0.093 0.000 2.933 749 T HA 0.600 4.950 4.350 -0.000 0.000 0.305 749 T C -1.076 173.687 174.700 0.105 0.000 1.092 749 T CA -0.250 61.907 62.100 0.096 0.000 1.008 749 T CB 1.255 70.169 68.868 0.078 0.000 1.102 749 T HN 0.574 nan 8.240 nan 0.000 0.469 750 I N 2.157 122.816 120.570 0.148 0.000 2.433 750 I HA 0.705 4.875 4.170 -0.000 0.000 0.292 750 I C -0.089 176.134 176.117 0.178 0.000 1.001 750 I CA -0.968 60.430 61.300 0.163 0.000 1.119 750 I CB 1.681 39.819 38.000 0.230 0.000 1.289 750 I HN 0.699 nan 8.210 nan 0.000 0.438 751 A N 7.593 130.486 122.820 0.121 0.000 2.318 751 A HA 0.828 5.147 4.320 -0.000 0.000 0.317 751 A C -0.734 176.912 177.584 0.104 0.000 1.159 751 A CA -0.427 51.665 52.037 0.092 0.000 0.799 751 A CB 0.672 19.708 19.000 0.059 0.000 1.194 751 A HN 0.676 nan 8.150 nan 0.000 0.479 752 I N 4.670 125.300 120.570 0.100 0.000 2.359 752 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 752 I C -2.263 173.867 176.117 0.021 0.000 1.018 752 I CA -2.060 59.289 61.300 0.082 0.000 1.173 752 I CB 2.169 40.267 38.000 0.163 0.000 1.326 752 I HN 0.411 nan 8.210 nan 0.000 0.462 753 P HA 0.176 nan 4.420 nan 0.000 0.281 753 P C -0.227 177.050 177.300 -0.037 0.000 1.252 753 P CA -0.517 62.581 63.100 -0.002 0.000 0.778 753 P CB 1.413 33.116 31.700 0.004 0.000 0.895 754 K N 2.331 122.716 120.400 -0.025 0.000 2.243 754 K HA 0.081 4.401 4.320 -0.000 0.000 0.201 754 K C 1.569 178.142 176.600 -0.045 0.000 1.051 754 K CA 1.068 57.332 56.287 -0.039 0.000 0.970 754 K CB -0.876 31.610 32.500 -0.023 0.000 0.755 754 K HN 0.829 nan 8.250 nan 0.000 0.465 755 G N 1.317 110.098 108.800 -0.031 0.000 2.175 755 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 755 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 755 G C -0.335 174.553 174.900 -0.020 0.000 0.982 755 G CA 0.058 45.138 45.100 -0.035 0.000 0.641 755 G HN 0.370 nan 8.290 nan 0.000 0.527 756 E N 0.174 120.368 120.200 -0.011 0.000 2.234 756 E HA 0.516 4.866 4.350 -0.000 0.000 0.266 756 E C 0.205 176.807 176.600 0.004 0.000 0.877 756 E CA -0.879 55.518 56.400 -0.005 0.000 0.758 756 E CB 1.185 30.879 29.700 -0.009 0.000 1.170 756 E HN 0.102 nan 8.360 nan 0.000 0.415 757 E N 1.134 121.340 120.200 0.009 0.000 2.660 757 E HA -0.281 4.069 4.350 -0.000 0.000 0.260 757 E C 0.688 177.299 176.600 0.019 0.000 1.122 757 E CA 1.215 57.622 56.400 0.012 0.000 0.755 757 E CB -1.422 28.280 29.700 0.004 0.000 1.345 757 E HN 1.134 nan 8.360 nan 0.000 0.421 758 G N 0.130 108.952 108.800 0.036 0.000 2.155 758 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 758 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 758 G C 0.106 175.024 174.900 0.031 0.000 0.983 758 G CA 0.719 45.850 45.100 0.051 0.000 0.676 758 G HN 0.393 nan 8.290 nan 0.000 0.528 759 E N -0.381 119.828 120.200 0.016 0.000 2.384 759 E HA 0.478 4.828 4.350 -0.000 0.000 0.266 759 E C 0.333 176.934 176.600 0.002 0.000 1.012 759 E CA 0.346 56.747 56.400 0.001 0.000 0.901 759 E CB 0.672 30.369 29.700 -0.006 0.000 0.967 759 E HN 0.440 nan 8.360 nan 0.000 0.435 760 M N 2.511 122.105 119.600 -0.011 0.000 2.378 760 M HA 0.226 4.705 4.480 -0.000 0.000 0.289 760 M C -1.480 174.789 176.300 -0.052 0.000 1.136 760 M CA -0.466 54.825 55.300 -0.015 0.000 0.917 760 M CB 2.164 34.764 32.600 0.000 0.000 1.669 760 M HN 0.394 nan 8.290 nan 0.000 0.461 761 E N 3.577 123.737 120.200 -0.067 0.000 2.171 761 E HA 0.620 4.969 4.350 -0.000 0.000 0.271 761 E C -1.998 174.467 176.600 -0.224 0.000 0.916 761 E CA -0.627 55.670 56.400 -0.172 0.000 0.774 761 E CB 1.436 31.035 29.700 -0.167 0.000 1.128 761 E HN 0.586 nan 8.360 nan 0.000 0.403 762 L N 4.437 125.467 121.223 -0.322 0.000 2.365 762 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 762 L C -1.085 175.514 176.870 -0.452 0.000 1.000 762 L CA -0.427 54.265 54.840 -0.245 0.000 0.819 762 L CB 1.242 43.237 42.059 -0.106 0.000 1.284 762 L HN 0.526 nan 8.230 nan 0.000 0.418 763 F N 3.067 123.025 119.950 0.014 0.000 2.411 763 F HA 0.684 5.211 4.527 -0.001 0.000 0.352 763 F C 0.035 175.836 175.800 0.002 0.000 1.123 763 F CA -0.935 57.068 58.000 0.004 0.000 1.044 763 F CB 1.711 40.716 39.000 0.008 0.000 1.135 763 F HN 0.177 nan 8.300 nan 0.000 0.461 764 V N -0.151 119.831 119.914 0.112 0.000 2.760 764 V HA 0.531 4.651 4.120 -0.000 0.000 0.309 764 V C -0.353 175.755 176.094 0.025 0.000 1.077 764 V CA -0.844 61.489 62.300 0.055 0.000 0.910 764 V CB 1.543 33.371 31.823 0.008 0.000 1.008 764 V HN 0.640 nan 8.190 nan 0.000 0.424 765 S N 3.153 118.854 115.700 0.001 0.000 3.530 765 S HA 0.506 4.975 4.470 -0.000 0.000 0.279 765 S C 0.022 174.551 174.600 -0.118 0.000 1.280 765 S CA 0.363 58.522 58.200 -0.068 0.000 0.946 765 S CB -0.857 62.279 63.200 -0.107 0.000 1.501 765 S HN 1.279 nan 8.310 nan 0.000 0.498 766 T N 3.037 117.537 114.554 -0.090 0.000 2.916 766 T HA 0.346 4.696 4.350 -0.000 0.000 0.305 766 T C 0.373 175.023 174.700 -0.083 0.000 1.119 766 T CA -0.545 61.503 62.100 -0.086 0.000 1.008 766 T CB 1.676 70.516 68.868 -0.047 0.000 1.129 766 T HN 0.520 nan 8.240 nan 0.000 0.480 767 Q N 1.778 121.534 119.800 -0.075 0.000 2.403 767 Q HA 0.210 4.550 4.340 -0.000 0.000 0.203 767 Q C 0.128 176.118 176.000 -0.017 0.000 0.932 767 Q CA 0.137 55.913 55.803 -0.044 0.000 0.945 767 Q CB 0.251 28.974 28.738 -0.024 0.000 1.045 767 Q HN 0.341 nan 8.270 nan 0.000 0.511 768 N N -0.363 118.315 118.700 -0.036 0.000 2.726 768 N HA 0.239 4.979 4.740 -0.000 0.000 0.253 768 N C -0.275 175.186 175.510 -0.081 0.000 1.530 768 N CA -0.003 53.019 53.050 -0.047 0.000 0.772 768 N CB 0.783 39.237 38.487 -0.054 0.000 1.220 768 N HN 0.071 nan 8.380 nan 0.000 0.508 769 A N 2.203 124.982 122.820 -0.068 0.000 1.933 769 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 769 A C 2.135 179.661 177.584 -0.096 0.000 1.175 769 A CA 1.197 53.187 52.037 -0.078 0.000 0.628 769 A CB -0.324 18.634 19.000 -0.069 0.000 0.814 769 A HN 0.657 nan 8.150 nan 0.000 0.444 770 M N -0.821 118.726 119.600 -0.090 0.000 2.065 770 M HA -0.193 4.286 4.480 -0.000 0.000 0.259 770 M C 1.765 177.957 176.300 -0.180 0.000 1.069 770 M CA 1.961 57.200 55.300 -0.101 0.000 1.110 770 M CB -0.146 32.411 32.600 -0.071 0.000 1.328 770 M HN 0.158 nan 8.290 nan 0.000 0.405 771 K N -0.339 119.896 120.400 -0.274 0.000 2.155 771 K HA -0.027 4.292 4.320 -0.000 0.000 0.203 771 K C 1.893 178.142 176.600 -0.585 0.000 1.052 771 K CA 1.729 57.667 56.287 -0.581 0.000 0.948 771 K CB -0.824 31.227 32.500 -0.749 0.000 0.728 771 K HN 0.445 nan 8.250 nan 0.000 0.448 772 T N 1.920 116.293 114.554 -0.302 0.000 2.652 772 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 772 T C 1.940 176.583 174.700 -0.096 0.000 1.039 772 T CA 1.572 63.580 62.100 -0.153 0.000 1.153 772 T CB -0.146 68.667 68.868 -0.090 0.000 0.863 772 T HN 0.348 nan 8.240 nan 0.000 0.428 773 Q N 0.471 120.209 119.800 -0.103 0.000 2.030 773 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 773 Q C 2.550 178.530 176.000 -0.033 0.000 0.986 773 Q CA 1.728 57.492 55.803 -0.065 0.000 0.843 773 Q CB -0.220 28.477 28.738 -0.069 0.000 0.904 773 Q HN 0.407 nan 8.270 nan 0.000 0.420 774 S N -0.002 115.667 115.700 -0.051 0.000 2.368 774 S HA -0.099 4.370 4.470 -0.000 0.000 0.225 774 S C 1.536 176.253 174.600 0.196 0.000 1.030 774 S CA 0.999 59.219 58.200 0.033 0.000 0.999 774 S CB -0.248 62.956 63.200 0.006 0.000 0.844 774 S HN 0.357 nan 8.310 nan 0.000 0.459 775 F N 1.131 121.049 119.950 -0.053 0.000 2.206 775 F HA 0.044 4.571 4.527 -0.001 0.000 0.298 775 F C 2.360 178.118 175.800 -0.072 0.000 1.090 775 F CA -0.276 57.688 58.000 -0.060 0.000 1.323 775 F CB -1.320 37.648 39.000 -0.053 0.000 1.028 775 F HN 0.007 nan 8.300 nan 0.000 0.492 776 V N 0.162 120.153 119.914 0.127 0.000 2.295 776 V HA -0.284 3.835 4.120 -0.000 0.000 0.246 776 V C 2.678 178.768 176.094 -0.007 0.000 1.049 776 V CA 1.792 64.110 62.300 0.030 0.000 1.024 776 V CB -1.386 30.442 31.823 0.008 0.000 0.648 776 V HN 0.301 nan 8.190 nan 0.000 0.447 777 A N -0.347 122.475 122.820 0.003 0.000 1.908 777 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 777 A C 2.348 179.913 177.584 -0.032 0.000 1.181 777 A CA 2.315 54.340 52.037 -0.020 0.000 0.627 777 A CB -0.518 18.475 19.000 -0.011 0.000 0.818 777 A HN 0.537 nan 8.150 nan 0.000 0.445 778 K N -1.038 119.358 120.400 -0.007 0.000 2.026 778 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 778 K C 2.165 178.718 176.600 -0.079 0.000 1.048 778 K CA 1.638 57.903 56.287 -0.035 0.000 0.929 778 K CB -0.250 32.236 32.500 -0.024 0.000 0.713 778 K HN 0.442 nan 8.250 nan 0.000 0.439 779 M N 1.170 120.715 119.600 -0.091 0.000 2.117 779 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 779 M C 1.708 177.909 176.300 -0.166 0.000 1.065 779 M CA 1.613 56.834 55.300 -0.132 0.000 1.114 779 M CB -0.415 32.100 32.600 -0.142 0.000 1.361 779 M HN 0.246 nan 8.290 nan 0.000 0.408 780 L N -0.179 120.941 121.223 -0.172 0.000 2.395 780 L HA 0.055 4.395 4.340 -0.000 0.000 0.218 780 L C 1.297 178.037 176.870 -0.216 0.000 1.130 780 L CA 0.606 55.288 54.840 -0.264 0.000 0.826 780 L CB -0.714 41.218 42.059 -0.212 0.000 0.941 780 L HN 0.648 nan 8.230 nan 0.000 0.451 781 G N 1.069 109.789 108.800 -0.133 0.000 2.225 781 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 781 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 781 G C 0.027 174.885 174.900 -0.069 0.000 1.060 781 G CA 0.317 45.361 45.100 -0.092 0.000 0.833 781 G HN 0.303 nan 8.290 nan 0.000 0.498 782 V N -3.620 116.256 119.914 -0.062 0.000 2.960 782 V HA 0.959 5.079 4.120 -0.000 0.000 0.315 782 V C -2.121 173.955 176.094 -0.030 0.000 1.087 782 V CA -2.913 59.363 62.300 -0.040 0.000 0.982 782 V CB 1.996 33.797 31.823 -0.035 0.000 1.039 782 V HN 0.054 nan 8.190 nan 0.000 0.437 783 P HA 0.261 nan 4.420 nan 0.000 0.269 783 P C 0.995 178.282 177.300 -0.021 0.000 1.215 783 P CA -0.156 62.931 63.100 -0.021 0.000 0.780 783 P CB 0.917 32.606 31.700 -0.018 0.000 0.898 784 V N 1.592 121.494 119.914 -0.020 0.000 2.568 784 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 784 V C 1.915 177.994 176.094 -0.024 0.000 1.072 784 V CA 2.250 64.538 62.300 -0.021 0.000 1.084 784 V CB -1.419 30.391 31.823 -0.021 0.000 0.676 784 V HN 0.692 nan 8.190 nan 0.000 0.469 785 N N 0.723 119.410 118.700 -0.021 0.000 2.573 785 N HA -0.181 4.559 4.740 -0.000 0.000 0.187 785 N C 1.537 177.035 175.510 -0.020 0.000 1.107 785 N CA 0.923 53.961 53.050 -0.020 0.000 0.918 785 N CB -0.411 38.066 38.487 -0.017 0.000 0.966 785 N HN 0.324 nan 8.380 nan 0.000 0.448 786 R N -0.173 120.315 120.500 -0.020 0.000 2.276 786 R HA 0.209 4.549 4.340 -0.000 0.000 0.196 786 R C -0.078 176.208 176.300 -0.025 0.000 0.961 786 R CA 0.057 56.147 56.100 -0.018 0.000 1.024 786 R CB 0.180 30.472 30.300 -0.013 0.000 0.940 786 R HN 0.267 nan 8.270 nan 0.000 0.480 787 I N 1.973 122.524 120.570 -0.032 0.000 2.362 787 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 787 I C -0.376 175.706 176.117 -0.058 0.000 0.994 787 I CA -1.746 59.528 61.300 -0.042 0.000 1.158 787 I CB 1.346 39.323 38.000 -0.038 0.000 1.315 787 I HN -0.164 nan 8.210 nan 0.000 0.451 788 L N 8.599 129.774 121.223 -0.081 0.000 2.313 788 L HA 0.632 4.971 4.340 -0.000 0.000 0.283 788 L C -0.787 175.991 176.870 -0.153 0.000 1.013 788 L CA -0.372 54.405 54.840 -0.105 0.000 0.816 788 L CB 1.695 43.688 42.059 -0.110 0.000 1.236 788 L HN 0.274 nan 8.230 nan 0.000 0.419 789 V N 6.003 125.833 119.914 -0.139 0.000 2.495 789 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 789 V C -0.135 175.864 176.094 -0.159 0.000 1.031 789 V CA -0.632 61.573 62.300 -0.158 0.000 0.871 789 V CB 1.708 33.466 31.823 -0.108 0.000 0.988 789 V HN 0.734 nan 8.190 nan 0.000 0.432 790 R N 3.140 123.517 120.500 -0.205 0.000 2.561 790 R HA 0.789 5.129 4.340 -0.000 0.000 0.297 790 R C -1.640 174.643 176.300 -0.028 0.000 0.969 790 R CA -0.665 55.359 56.100 -0.127 0.000 0.879 790 R CB 2.494 32.691 30.300 -0.172 0.000 1.178 790 R HN 0.499 nan 8.270 nan 0.000 0.445 791 V N 3.621 123.528 119.914 -0.012 0.000 2.409 791 V HA 0.151 4.271 4.120 -0.000 0.000 0.290 791 V C 0.463 176.564 176.094 0.011 0.000 1.017 791 V CA -0.703 61.600 62.300 0.005 0.000 0.841 791 V CB 1.472 33.276 31.823 -0.031 0.000 1.003 791 V HN 0.695 nan 8.190 nan 0.000 0.426 792 K N 5.040 125.457 120.400 0.029 0.000 2.005 792 K HA 0.184 4.504 4.320 -0.000 0.000 0.206 792 K C 0.709 177.301 176.600 -0.012 0.000 1.044 792 K CA 1.367 57.656 56.287 0.002 0.000 0.942 792 K CB 0.261 32.750 32.500 -0.018 0.000 0.727 792 K HN 0.805 nan 8.250 nan 0.000 0.439 793 R N -1.558 118.911 120.500 -0.052 0.000 2.712 793 R HA 0.427 4.766 4.340 -0.000 0.000 0.272 793 R C -1.291 174.994 176.300 -0.026 0.000 1.032 793 R CA -0.812 55.247 56.100 -0.068 0.000 0.874 793 R CB 0.738 30.956 30.300 -0.138 0.000 1.256 793 R HN -0.016 nan 8.270 nan 0.000 0.468 794 M N 0.701 120.298 119.600 -0.005 0.000 2.456 794 M HA 0.403 4.883 4.480 -0.000 0.000 0.324 794 M C 0.533 176.908 176.300 0.124 0.000 1.124 794 M CA -0.687 54.625 55.300 0.020 0.000 0.959 794 M CB 2.414 34.941 32.600 -0.121 0.000 1.692 794 M HN 0.939 nan 8.290 nan 0.000 0.444 795 G N 1.728 110.623 108.800 0.159 0.000 3.401 795 G HA2 0.483 4.443 3.960 -0.000 0.000 0.251 795 G HA3 0.483 4.443 3.960 -0.000 0.000 0.251 795 G C 0.369 175.277 174.900 0.014 0.000 0.960 795 G CA 0.299 45.438 45.100 0.064 0.000 1.900 795 G HN 1.100 nan 8.290 nan 0.000 0.645 796 G N -1.306 107.441 108.800 -0.087 0.000 2.712 796 G HA2 0.363 4.322 3.960 -0.000 0.000 0.686 796 G HA3 0.363 4.322 3.960 -0.000 0.000 0.686 796 G C 0.516 175.176 174.900 -0.400 0.000 1.181 796 G CA -0.329 44.580 45.100 -0.317 0.000 0.762 796 G HN 1.201 nan 8.290 nan 0.000 0.641 797 G N -0.709 107.655 108.800 -0.728 0.000 2.645 797 G HA2 0.548 4.508 3.960 -0.000 0.000 0.208 797 G HA3 0.548 4.508 3.960 -0.000 0.000 0.208 797 G C 0.832 175.644 174.900 -0.147 0.000 1.264 797 G CA 0.825 45.696 45.100 -0.382 0.000 0.586 797 G HN 1.747 nan 8.290 nan 0.000 0.952 798 F N 0.937 120.917 119.950 0.051 0.000 3.084 798 F HA -0.189 4.337 4.527 -0.000 0.000 0.286 798 F C 1.956 177.801 175.800 0.074 0.000 0.855 798 F CA 0.900 58.932 58.000 0.054 0.000 1.091 798 F CB -1.494 37.492 39.000 -0.023 0.000 1.177 798 F HN 1.160 nan 8.300 nan 0.000 0.542 799 G N -1.048 107.845 108.800 0.155 0.000 2.284 799 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.230 799 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.230 799 G C 1.162 176.103 174.900 0.069 0.000 1.021 799 G CA 0.138 45.364 45.100 0.211 0.000 0.619 799 G HN 1.228 nan 8.290 nan 0.000 0.510 800 G N 0.118 108.718 108.800 -0.332 0.000 2.559 800 G HA2 0.162 4.122 3.960 -0.000 0.000 0.216 800 G HA3 0.162 4.122 3.960 -0.000 0.000 0.216 800 G C 1.177 175.998 174.900 -0.132 0.000 1.126 800 G CA 1.388 46.070 45.100 -0.697 0.000 0.778 800 G HN 0.539 nan 8.290 nan 0.000 0.543 801 K N -0.250 120.069 120.400 -0.136 0.000 2.478 801 K HA 0.200 4.519 4.320 -0.000 0.000 0.205 801 K C 1.308 177.901 176.600 -0.012 0.000 1.033 801 K CA -0.157 56.070 56.287 -0.101 0.000 1.091 801 K CB 0.730 33.040 32.500 -0.317 0.000 0.844 801 K HN 0.284 nan 8.250 nan 0.000 0.507 802 E N 0.711 120.940 120.200 0.049 0.000 2.170 802 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 802 E C 1.224 177.875 176.600 0.084 0.000 0.981 802 E CA 1.620 58.072 56.400 0.086 0.000 0.830 802 E CB 0.498 30.296 29.700 0.163 0.000 0.775 802 E HN 0.311 nan 8.360 nan 0.000 0.470 803 T N -3.205 111.417 114.554 0.114 0.000 3.154 803 T HA 0.178 4.528 4.350 -0.000 0.000 0.258 803 T C 1.527 176.302 174.700 0.126 0.000 0.899 803 T CA -0.589 61.577 62.100 0.111 0.000 0.908 803 T CB -0.067 68.902 68.868 0.169 0.000 1.260 803 T HN -0.100 nan 8.240 nan 0.000 0.521 804 R N 2.634 123.214 120.500 0.134 0.000 2.276 804 R HA 0.195 4.535 4.340 -0.000 0.000 0.203 804 R C 2.593 178.896 176.300 0.004 0.000 1.017 804 R CA 1.114 57.263 56.100 0.082 0.000 1.010 804 R CB -1.072 29.272 30.300 0.073 0.000 0.900 804 R HN 0.731 nan 8.270 nan 0.000 0.469 805 S N 0.544 116.322 115.700 0.130 0.000 2.419 805 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 805 S C 1.925 176.569 174.600 0.073 0.000 1.019 805 S CA 1.657 59.964 58.200 0.178 0.000 0.982 805 S CB -0.729 62.580 63.200 0.181 0.000 0.789 805 S HN 0.467 nan 8.310 nan 0.000 0.490 806 T N 0.772 115.372 114.554 0.077 0.000 3.007 806 T HA 0.127 4.477 4.350 -0.000 0.000 0.270 806 T C 1.681 176.425 174.700 0.072 0.000 1.107 806 T CA 0.816 62.981 62.100 0.108 0.000 1.118 806 T CB -0.815 68.209 68.868 0.260 0.000 0.889 806 T HN 0.416 nan 8.240 nan 0.000 0.506 807 L N 0.465 121.706 121.223 0.029 0.000 2.042 807 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 807 L C 2.894 179.767 176.870 0.006 0.000 1.076 807 L CA 1.061 55.903 54.840 0.004 0.000 0.749 807 L CB -0.682 41.365 42.059 -0.019 0.000 0.893 807 L HN 0.193 nan 8.230 nan 0.000 0.432 808 V N -1.476 118.442 119.914 0.007 0.000 2.346 808 V HA -0.174 3.945 4.120 -0.000 0.000 0.244 808 V C 2.543 178.664 176.094 0.046 0.000 1.037 808 V CA 1.648 63.972 62.300 0.041 0.000 1.029 808 V CB -0.002 31.856 31.823 0.058 0.000 0.663 808 V HN 0.311 nan 8.190 nan 0.000 0.454 809 S N 0.191 115.917 115.700 0.045 0.000 2.370 809 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 809 S C 2.000 176.614 174.600 0.023 0.000 1.033 809 S CA 1.693 59.917 58.200 0.040 0.000 1.011 809 S CB -0.236 62.986 63.200 0.038 0.000 0.852 809 S HN 0.375 nan 8.310 nan 0.000 0.457 810 V N 1.661 121.579 119.914 0.007 0.000 2.358 810 V HA -0.136 3.983 4.120 -0.000 0.000 0.246 810 V C 2.575 178.621 176.094 -0.080 0.000 1.047 810 V CA 1.570 63.845 62.300 -0.040 0.000 1.035 810 V CB -1.159 30.624 31.823 -0.065 0.000 0.658 810 V HN 0.531 nan 8.190 nan 0.000 0.452 811 A N -0.093 122.686 122.820 -0.069 0.000 1.898 811 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 811 A C 2.380 180.008 177.584 0.073 0.000 1.181 811 A CA 1.991 54.025 52.037 -0.005 0.000 0.620 811 A CB -0.656 18.413 19.000 0.115 0.000 0.819 811 A HN 0.328 nan 8.150 nan 0.000 0.442 812 V N -0.084 119.867 119.914 0.063 0.000 2.343 812 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 812 V C 3.041 179.171 176.094 0.060 0.000 1.051 812 V CA 1.844 64.183 62.300 0.067 0.000 1.036 812 V CB -1.233 30.629 31.823 0.064 0.000 0.654 812 V HN 0.611 nan 8.190 nan 0.000 0.451 813 A N -0.052 122.794 122.820 0.044 0.000 1.902 813 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 813 A C 2.167 179.798 177.584 0.078 0.000 1.181 813 A CA 2.122 54.187 52.037 0.047 0.000 0.623 813 A CB -0.564 18.445 19.000 0.016 0.000 0.818 813 A HN 0.461 nan 8.150 nan 0.000 0.443 814 L N -0.234 121.026 121.223 0.062 0.000 2.046 814 L HA -0.037 4.302 4.340 -0.000 0.000 0.208 814 L C 2.643 179.618 176.870 0.175 0.000 1.077 814 L CA 2.209 57.118 54.840 0.115 0.000 0.747 814 L CB -0.874 41.229 42.059 0.073 0.000 0.896 814 L HN 0.333 nan 8.230 nan 0.000 0.432 815 A N -0.350 122.543 122.820 0.122 0.000 1.908 815 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 815 A C 2.468 180.093 177.584 0.069 0.000 1.181 815 A CA 1.987 54.073 52.037 0.081 0.000 0.627 815 A CB -1.238 17.796 19.000 0.056 0.000 0.818 815 A HN 0.598 nan 8.150 nan 0.000 0.445 816 A N -1.295 121.575 122.820 0.083 0.000 1.902 816 A HA -0.121 4.198 4.320 -0.000 0.000 0.217 816 A C 2.158 179.793 177.584 0.085 0.000 1.181 816 A CA 1.742 53.825 52.037 0.077 0.000 0.623 816 A CB -0.891 18.153 19.000 0.074 0.000 0.818 816 A HN 0.846 nan 8.150 nan 0.000 0.443 817 Y N 0.474 120.781 120.300 0.012 0.000 2.145 817 Y HA -0.199 4.351 4.550 -0.001 0.000 0.286 817 Y C 2.336 178.244 175.900 0.013 0.000 1.145 817 Y CA 2.426 60.531 58.100 0.008 0.000 1.148 817 Y CB -0.152 38.310 38.460 0.003 0.000 0.981 817 Y HN 0.202 nan 8.280 nan 0.000 0.507 818 K N -0.210 120.126 120.400 -0.106 0.000 2.062 818 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 818 K C 2.049 178.550 176.600 -0.164 0.000 1.051 818 K CA 1.956 58.126 56.287 -0.195 0.000 0.941 818 K CB -0.495 32.015 32.500 0.016 0.000 0.719 818 K HN 0.587 nan 8.250 nan 0.000 0.440 819 T N -3.356 111.153 114.554 -0.075 0.000 3.014 819 T HA 0.094 4.444 4.350 -0.000 0.000 0.263 819 T C 1.454 176.203 174.700 0.081 0.000 1.078 819 T CA 1.060 63.143 62.100 -0.028 0.000 1.135 819 T CB -0.089 68.741 68.868 -0.064 0.000 0.895 819 T HN 0.370 nan 8.240 nan 0.000 0.480 820 G N 1.099 109.908 108.800 0.015 0.000 2.168 820 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.263 820 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.263 820 G C -0.109 174.804 174.900 0.021 0.000 0.977 820 G CA 0.544 45.647 45.100 0.003 0.000 0.659 820 G HN 0.778 nan 8.290 nan 0.000 0.533 821 H N 0.641 119.671 119.070 -0.066 0.000 2.502 821 H HA 0.546 5.102 4.556 -0.000 0.000 0.338 821 H C -2.237 173.060 175.328 -0.052 0.000 1.155 821 H CA -1.930 54.080 56.048 -0.062 0.000 1.237 821 H CB 1.132 30.864 29.762 -0.050 0.000 1.534 821 H HN 0.050 nan 8.280 nan 0.000 0.523 822 P HA 0.036 nan 4.420 nan 0.000 0.268 822 P C -0.852 176.468 177.300 0.033 0.000 1.205 822 P CA 0.119 63.254 63.100 0.059 0.000 0.771 822 P CB 0.621 32.394 31.700 0.121 0.000 0.858 823 V N 3.979 123.898 119.914 0.009 0.000 2.789 823 V HA 0.640 4.760 4.120 -0.000 0.000 0.311 823 V C 0.153 176.208 176.094 -0.065 0.000 1.073 823 V CA -0.694 61.569 62.300 -0.062 0.000 0.921 823 V CB 2.147 33.961 31.823 -0.014 0.000 1.009 823 V HN 0.594 nan 8.190 nan 0.000 0.426 824 R N 1.894 122.297 120.500 -0.161 0.000 2.837 824 R HA 0.929 5.268 4.340 -0.000 0.000 0.271 824 R C -1.379 174.947 176.300 0.043 0.000 0.993 824 R CA -0.641 55.426 56.100 -0.054 0.000 0.931 824 R CB 1.879 32.135 30.300 -0.074 0.000 1.206 824 R HN 0.716 nan 8.270 nan 0.000 0.474 825 C N 3.107 122.469 119.300 0.102 0.000 2.642 825 C HA 0.601 5.061 4.460 -0.000 0.000 0.344 825 C C -0.947 174.124 174.990 0.135 0.000 1.110 825 C CA -0.609 58.496 59.018 0.145 0.000 1.298 825 C CB 1.266 29.083 27.740 0.128 0.000 1.827 825 C HN 1.010 nan 8.230 nan 0.000 0.467 826 M N 6.642 126.329 119.600 0.145 0.000 2.311 826 M HA 0.593 5.073 4.480 -0.000 0.000 0.325 826 M C -1.281 175.086 176.300 0.111 0.000 1.061 826 M CA -0.563 54.807 55.300 0.117 0.000 0.957 826 M CB 1.226 33.888 32.600 0.102 0.000 1.646 826 M HN 0.720 nan 8.290 nan 0.000 0.434 827 L N 3.397 124.687 121.223 0.113 0.000 2.417 827 L HA 0.254 4.593 4.340 -0.000 0.000 0.268 827 L C 0.168 177.088 176.870 0.083 0.000 1.158 827 L CA -0.504 54.400 54.840 0.107 0.000 0.819 827 L CB 0.452 42.587 42.059 0.126 0.000 1.112 827 L HN 0.653 nan 8.230 nan 0.000 0.458 828 D N 0.832 121.274 120.400 0.070 0.000 2.362 828 D HA 0.031 4.671 4.640 -0.000 0.000 0.242 828 D C 0.951 177.272 176.300 0.035 0.000 1.132 828 D CA -0.159 53.869 54.000 0.047 0.000 0.907 828 D CB 1.216 42.043 40.800 0.044 0.000 1.195 828 D HN 0.341 nan 8.370 nan 0.000 0.429 829 R N 1.792 122.293 120.500 0.003 0.000 2.103 829 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 829 R C 1.686 177.967 176.300 -0.032 0.000 1.142 829 R CA 1.885 57.952 56.100 -0.053 0.000 0.960 829 R CB -0.132 30.120 30.300 -0.079 0.000 0.858 829 R HN 0.520 nan 8.270 nan 0.000 0.439 830 N N 0.258 118.961 118.700 0.006 0.000 2.244 830 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 830 N C 1.105 176.632 175.510 0.029 0.000 1.016 830 N CA 1.773 54.834 53.050 0.018 0.000 0.866 830 N CB -0.365 38.141 38.487 0.032 0.000 0.980 830 N HN 0.471 nan 8.380 nan 0.000 0.430 831 E N 0.442 120.668 120.200 0.045 0.000 2.047 831 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 831 E C 1.398 178.037 176.600 0.064 0.000 0.987 831 E CA 0.922 57.360 56.400 0.063 0.000 0.799 831 E CB -0.132 29.614 29.700 0.077 0.000 0.752 831 E HN 0.386 nan 8.360 nan 0.000 0.449 832 D N 0.879 121.323 120.400 0.073 0.000 2.116 832 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 832 D C 2.013 178.362 176.300 0.081 0.000 0.998 832 D CA 1.247 55.318 54.000 0.118 0.000 0.836 832 D CB 0.036 40.943 40.800 0.179 0.000 0.951 832 D HN 0.152 nan 8.370 nan 0.000 0.449 833 M N -0.202 119.403 119.600 0.008 0.000 2.213 833 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 833 M C 2.328 178.633 176.300 0.008 0.000 1.062 833 M CA 0.688 55.969 55.300 -0.031 0.000 1.105 833 M CB -0.095 32.447 32.600 -0.097 0.000 1.385 833 M HN 0.066 nan 8.290 nan 0.000 0.417 834 L N 0.445 121.684 121.223 0.027 0.000 2.068 834 L HA -0.036 4.303 4.340 -0.000 0.000 0.204 834 L C 1.992 178.904 176.870 0.070 0.000 1.076 834 L CA 1.739 56.607 54.840 0.047 0.000 0.753 834 L CB -0.173 41.916 42.059 0.050 0.000 0.910 834 L HN 0.174 nan 8.230 nan 0.000 0.439 835 I N -1.202 119.409 120.570 0.068 0.000 2.585 835 I HA -0.113 4.056 4.170 -0.000 0.000 0.254 835 I C 1.847 177.996 176.117 0.053 0.000 1.129 835 I CA 1.263 62.602 61.300 0.065 0.000 1.455 835 I CB -0.385 37.650 38.000 0.058 0.000 1.111 835 I HN 0.386 nan 8.210 nan 0.000 0.433 836 T N -1.623 112.968 114.554 0.061 0.000 3.086 836 T HA 0.444 4.794 4.350 -0.000 0.000 0.250 836 T C 0.949 175.736 174.700 0.145 0.000 1.074 836 T CA 0.213 62.344 62.100 0.052 0.000 0.988 836 T CB 0.012 68.894 68.868 0.024 0.000 0.988 836 T HN 0.485 nan 8.240 nan 0.000 0.530 837 G N -0.664 108.226 108.800 0.151 0.000 2.758 837 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 837 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 837 G C -0.122 174.941 174.900 0.272 0.000 1.389 837 G CA -0.564 44.639 45.100 0.172 0.000 0.845 837 G HN 1.125 nan 8.290 nan 0.000 0.572 838 G N -0.739 108.187 108.800 0.211 0.000 3.058 838 G HA2 0.805 4.765 3.960 -0.000 0.000 0.282 838 G HA3 0.805 4.765 3.960 -0.000 0.000 0.282 838 G C -0.003 175.017 174.900 0.200 0.000 1.248 838 G CA 0.082 45.296 45.100 0.190 0.000 0.822 838 G HN 1.052 nan 8.290 nan 0.000 0.579 839 R N 0.168 120.787 120.500 0.198 0.000 2.590 839 R HA 0.127 4.467 4.340 -0.000 0.000 0.274 839 R C -0.345 176.028 176.300 0.121 0.000 1.061 839 R CA -0.282 55.918 56.100 0.166 0.000 1.081 839 R CB 0.002 30.203 30.300 -0.166 0.000 0.984 839 R HN 0.590 nan 8.270 nan 0.000 0.448 840 H N 5.000 124.150 119.070 0.134 0.000 2.975 840 H HA 0.077 4.632 4.556 -0.001 0.000 0.303 840 H C -1.907 173.549 175.328 0.214 0.000 1.023 840 H CA -1.402 54.757 56.048 0.184 0.000 1.473 840 H CB 0.692 30.618 29.762 0.275 0.000 1.498 840 H HN 0.457 nan 8.280 nan 0.000 0.549 841 P HA 0.005 nan 4.420 nan 0.000 0.268 841 P C -0.644 176.824 177.300 0.280 0.000 1.205 841 P CA 0.602 63.775 63.100 0.122 0.000 0.771 841 P CB 0.355 32.136 31.700 0.135 0.000 0.858 842 F N 1.932 121.826 119.950 -0.094 0.000 2.520 842 F HA 0.468 4.995 4.527 -0.001 0.000 0.322 842 F C -0.084 175.794 175.800 0.131 0.000 1.103 842 F CA -1.102 56.947 58.000 0.080 0.000 0.926 842 F CB 1.644 40.710 39.000 0.110 0.000 1.154 842 F HN 0.096 nan 8.300 nan 0.000 0.453 843 L N 3.658 125.128 121.223 0.411 0.000 2.329 843 L HA 0.885 5.225 4.340 -0.000 0.000 0.279 843 L C -0.981 176.174 176.870 0.475 0.000 1.014 843 L CA -0.343 54.783 54.840 0.476 0.000 0.814 843 L CB 1.427 43.736 42.059 0.417 0.000 1.257 843 L HN 0.617 nan 8.230 nan 0.000 0.424 844 A N 5.147 128.223 122.820 0.428 0.000 2.393 844 A HA 0.864 5.184 4.320 -0.000 0.000 0.306 844 A C -0.880 176.912 177.584 0.346 0.000 1.050 844 A CA -0.738 51.506 52.037 0.346 0.000 0.724 844 A CB 1.169 20.341 19.000 0.288 0.000 1.248 844 A HN 0.729 nan 8.150 nan 0.000 0.424 845 R N 0.974 121.633 120.500 0.266 0.000 2.437 845 R HA 0.603 4.943 4.340 -0.000 0.000 0.310 845 R C -1.531 174.860 176.300 0.151 0.000 0.955 845 R CA -0.416 55.783 56.100 0.164 0.000 0.851 845 R CB 1.588 31.969 30.300 0.134 0.000 1.161 845 R HN 0.803 nan 8.270 nan 0.000 0.446 846 Y N -0.832 119.500 120.300 0.053 0.000 2.553 846 Y HA 0.634 5.184 4.550 -0.000 0.000 0.347 846 Y C -1.040 174.858 175.900 -0.004 0.000 1.019 846 Y CA -1.319 56.790 58.100 0.015 0.000 1.032 846 Y CB 1.933 40.429 38.460 0.060 0.000 1.284 846 Y HN 0.314 nan 8.280 nan 0.000 0.466 847 K N 2.796 123.256 120.400 0.099 0.000 2.601 847 K HA 0.642 4.962 4.320 -0.000 0.000 0.249 847 K C -2.456 174.243 176.600 0.165 0.000 0.966 847 K CA -0.783 55.531 56.287 0.046 0.000 0.827 847 K CB 2.458 34.899 32.500 -0.099 0.000 1.178 847 K HN 0.799 nan 8.250 nan 0.000 0.437 848 V N 3.178 123.194 119.914 0.169 0.000 2.540 848 V HA 0.791 4.910 4.120 -0.000 0.000 0.302 848 V C -0.520 175.778 176.094 0.340 0.000 1.035 848 V CA -0.268 62.087 62.300 0.090 0.000 0.873 848 V CB 1.641 33.293 31.823 -0.286 0.000 0.992 848 V HN 0.848 nan 8.190 nan 0.000 0.428 849 G N 5.874 114.834 108.800 0.266 0.000 2.415 849 G HA2 0.767 4.727 3.960 -0.000 0.000 0.327 849 G HA3 0.767 4.727 3.960 -0.000 0.000 0.327 849 G C -1.242 173.720 174.900 0.103 0.000 1.182 849 G CA -0.537 44.662 45.100 0.165 0.000 0.924 849 G HN 1.033 nan 8.290 nan 0.000 0.470 850 F N 0.327 120.270 119.950 -0.011 0.000 2.662 850 F HA 0.755 5.282 4.527 -0.000 0.000 0.312 850 F C -0.580 175.211 175.800 -0.015 0.000 1.113 850 F CA -1.887 56.093 58.000 -0.034 0.000 0.951 850 F CB 1.357 40.344 39.000 -0.022 0.000 1.344 850 F HN 0.233 nan 8.300 nan 0.000 0.462 851 M N 1.582 121.285 119.600 0.171 0.000 2.283 851 M HA 0.343 4.823 4.480 -0.000 0.000 0.314 851 M C 0.882 177.296 176.300 0.190 0.000 1.153 851 M CA -0.419 54.935 55.300 0.091 0.000 1.084 851 M CB 1.267 33.899 32.600 0.053 0.000 1.468 851 M HN 0.799 nan 8.290 nan 0.000 0.474 852 K N 0.241 120.707 120.400 0.110 0.000 2.442 852 K HA -0.062 4.258 4.320 -0.000 0.000 0.198 852 K C 1.188 177.861 176.600 0.122 0.000 1.044 852 K CA 1.132 57.498 56.287 0.132 0.000 0.948 852 K CB -0.324 32.219 32.500 0.072 0.000 0.762 852 K HN 0.707 nan 8.250 nan 0.000 0.472 853 T N -0.714 113.900 114.554 0.099 0.000 3.088 853 T HA 0.057 4.406 4.350 -0.000 0.000 0.259 853 T C 1.376 176.116 174.700 0.067 0.000 1.122 853 T CA 0.760 62.903 62.100 0.072 0.000 1.095 853 T CB 0.284 69.181 68.868 0.049 0.000 0.930 853 T HN 0.464 nan 8.240 nan 0.000 0.508 854 G N 1.437 110.298 108.800 0.102 0.000 2.176 854 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 854 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 854 G C 0.272 175.173 174.900 0.001 0.000 0.986 854 G CA -0.021 45.090 45.100 0.018 0.000 0.643 854 G HN 0.520 nan 8.290 nan 0.000 0.522 855 T N 1.774 116.352 114.554 0.041 0.000 2.817 855 T HA 0.471 4.821 4.350 -0.000 0.000 0.295 855 T C 0.784 175.509 174.700 0.042 0.000 0.958 855 T CA 0.196 62.301 62.100 0.007 0.000 1.157 855 T CB 1.084 69.951 68.868 -0.003 0.000 0.898 855 T HN 0.309 nan 8.240 nan 0.000 0.536 856 I N 3.880 124.445 120.570 -0.008 0.000 2.496 856 I HA 0.071 4.241 4.170 -0.000 0.000 0.285 856 I C 1.117 177.194 176.117 -0.067 0.000 1.080 856 I CA 0.316 61.608 61.300 -0.013 0.000 1.404 856 I CB 1.158 39.127 38.000 -0.052 0.000 1.403 856 I HN 0.450 nan 8.210 nan 0.000 0.539 857 V N 5.223 125.081 119.914 -0.094 0.000 3.572 857 V HA 0.494 4.613 4.120 -0.000 0.000 0.260 857 V C 0.442 176.364 176.094 -0.288 0.000 1.324 857 V CA 0.560 62.766 62.300 -0.158 0.000 1.068 857 V CB 0.413 32.159 31.823 -0.128 0.000 0.837 857 V HN 0.820 nan 8.190 nan 0.000 0.450 858 A N 0.470 123.047 122.820 -0.405 0.000 2.589 858 A HA 0.819 5.138 4.320 -0.000 0.000 0.296 858 A C -2.054 175.200 177.584 -0.550 0.000 1.062 858 A CA -0.341 51.291 52.037 -0.675 0.000 0.686 858 A CB 2.225 20.337 19.000 -1.480 0.000 1.282 858 A HN 0.177 nan 8.150 nan 0.000 0.404 859 L N 0.704 121.693 121.223 -0.390 0.000 2.505 859 L HA 0.737 5.077 4.340 -0.000 0.000 0.266 859 L C -0.786 176.057 176.870 -0.045 0.000 0.954 859 L CA 0.056 54.755 54.840 -0.235 0.000 0.852 859 L CB 1.985 43.822 42.059 -0.370 0.000 1.282 859 L HN 0.840 nan 8.230 nan 0.000 0.403 860 E N 4.200 124.451 120.200 0.085 0.000 2.218 860 E HA 0.712 5.062 4.350 -0.000 0.000 0.263 860 E C -2.004 174.635 176.600 0.066 0.000 0.879 860 E CA -0.680 55.784 56.400 0.107 0.000 0.762 860 E CB 1.943 31.755 29.700 0.186 0.000 1.166 860 E HN 0.492 nan 8.360 nan 0.000 0.415 861 V N 3.902 123.844 119.914 0.047 0.000 2.577 861 V HA 0.333 4.453 4.120 -0.000 0.000 0.303 861 V C -1.033 175.011 176.094 -0.083 0.000 1.042 861 V CA -1.022 61.271 62.300 -0.011 0.000 0.872 861 V CB 1.980 33.768 31.823 -0.059 0.000 0.998 861 V HN 0.699 nan 8.190 nan 0.000 0.423 862 D N 2.490 122.828 120.400 -0.103 0.000 2.303 862 D HA 0.489 5.129 4.640 -0.000 0.000 0.236 862 D C -0.561 175.586 176.300 -0.256 0.000 1.068 862 D CA -0.239 53.668 54.000 -0.156 0.000 0.830 862 D CB 1.319 42.080 40.800 -0.065 0.000 1.109 862 D HN 0.617 nan 8.370 nan 0.000 0.496 863 H N 1.031 119.967 119.070 -0.225 0.000 2.479 863 H HA 0.459 5.014 4.556 -0.000 0.000 0.335 863 H C -0.760 174.242 175.328 -0.543 0.000 1.142 863 H CA -0.363 55.611 56.048 -0.124 0.000 1.234 863 H CB 1.021 30.827 29.762 0.072 0.000 1.503 863 H HN 0.305 nan 8.280 nan 0.000 0.510 864 Y N 0.313 120.622 120.300 0.015 0.000 2.386 864 Y HA 0.352 4.902 4.550 -0.001 0.000 0.334 864 Y C -0.374 175.322 175.900 -0.340 0.000 1.002 864 Y CA -0.940 57.103 58.100 -0.095 0.000 1.068 864 Y CB 1.959 40.448 38.460 0.047 0.000 1.203 864 Y HN 0.664 nan 8.280 nan 0.000 0.443 865 S N 1.564 117.082 115.700 -0.303 0.000 2.537 865 S HA 0.417 4.886 4.470 -0.000 0.000 0.301 865 S C -0.753 173.848 174.600 0.001 0.000 1.092 865 S CA -0.957 56.977 58.200 -0.442 0.000 1.048 865 S CB 1.614 64.435 63.200 -0.631 0.000 1.053 865 S HN 0.623 nan 8.310 nan 0.000 0.501 866 N N 1.429 120.178 118.700 0.081 0.000 2.521 866 N HA 0.371 5.110 4.740 -0.000 0.000 0.236 866 N C 0.755 176.322 175.510 0.095 0.000 1.067 866 N CA -0.253 52.851 53.050 0.090 0.000 0.939 866 N CB 1.020 39.547 38.487 0.067 0.000 1.201 866 N HN 0.788 nan 8.380 nan 0.000 0.511 867 A N 2.486 125.409 122.820 0.172 0.000 2.072 867 A HA 0.353 4.673 4.320 -0.000 0.000 0.216 867 A C 1.244 178.905 177.584 0.128 0.000 1.156 867 A CA 0.989 53.167 52.037 0.235 0.000 0.701 867 A CB -0.708 18.549 19.000 0.428 0.000 0.816 867 A HN 0.871 nan 8.150 nan 0.000 0.458 868 G N 0.526 109.381 108.800 0.093 0.000 2.553 868 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 868 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 868 G C 0.276 175.257 174.900 0.134 0.000 1.277 868 G CA 0.315 45.443 45.100 0.047 0.000 0.910 868 G HN 1.082 nan 8.290 nan 0.000 0.576 869 N N 0.442 119.181 118.700 0.065 0.000 2.322 869 N HA 0.277 5.017 4.740 -0.000 0.000 0.194 869 N C 0.620 176.195 175.510 0.109 0.000 1.126 869 N CA 1.292 54.379 53.050 0.060 0.000 0.845 869 N CB 0.028 38.467 38.487 -0.080 0.000 0.976 869 N HN 1.725 nan 8.380 nan 0.000 0.475 870 S N -1.429 114.327 115.700 0.093 0.000 2.625 870 S HA 0.501 4.971 4.470 -0.000 0.000 0.271 870 S C 0.498 174.914 174.600 -0.307 0.000 1.161 870 S CA -0.919 57.244 58.200 -0.062 0.000 0.820 870 S CB 2.040 65.228 63.200 -0.020 0.000 1.137 870 S HN -0.005 nan 8.310 nan 0.000 0.470 871 R N 0.677 120.882 120.500 -0.492 0.000 2.062 871 R HA 0.085 4.425 4.340 -0.000 0.000 0.231 871 R C 0.891 177.163 176.300 -0.045 0.000 1.136 871 R CA 1.517 57.313 56.100 -0.507 0.000 0.948 871 R CB -0.825 29.152 30.300 -0.538 0.000 0.845 871 R HN 0.905 nan 8.270 nan 0.000 0.430 872 D N -0.931 119.561 120.400 0.153 0.000 3.417 872 D HA -0.292 4.348 4.640 -0.000 0.000 0.163 872 D C 0.220 176.737 176.300 0.361 0.000 1.070 872 D CA 2.125 56.287 54.000 0.269 0.000 1.047 872 D CB -0.762 40.164 40.800 0.210 0.000 0.514 872 D HN 0.099 nan 8.370 nan 0.000 0.532 873 L N 0.299 121.712 121.223 0.318 0.000 2.629 873 L HA 0.206 4.546 4.340 -0.000 0.000 0.230 873 L C 2.004 178.955 176.870 0.134 0.000 1.151 873 L CA 0.185 55.218 54.840 0.321 0.000 0.924 873 L CB -0.074 42.226 42.059 0.401 0.000 1.137 873 L HN 0.164 nan 8.230 nan 0.000 0.457 874 S N -0.636 115.128 115.700 0.107 0.000 2.383 874 S HA -0.257 4.213 4.470 -0.000 0.000 0.229 874 S C 1.859 176.398 174.600 -0.103 0.000 1.030 874 S CA 1.507 59.678 58.200 -0.048 0.000 1.002 874 S CB -0.242 63.046 63.200 0.147 0.000 0.829 874 S HN 0.592 nan 8.310 nan 0.000 0.467 875 H N 1.250 120.261 119.070 -0.098 0.000 2.326 875 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 875 H C 2.218 177.511 175.328 -0.058 0.000 1.081 875 H CA 1.832 57.812 56.048 -0.113 0.000 1.334 875 H CB -0.221 29.450 29.762 -0.152 0.000 1.385 875 H HN 0.233 nan 8.280 nan 0.000 0.504 876 S N -0.169 115.653 115.700 0.203 0.000 2.382 876 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 876 S C 2.199 176.879 174.600 0.132 0.000 1.027 876 S CA 1.336 59.712 58.200 0.292 0.000 0.991 876 S CB -0.198 63.332 63.200 0.550 0.000 0.823 876 S HN 0.372 nan 8.310 nan 0.000 0.469 877 I N 0.777 121.169 120.570 -0.296 0.000 2.226 877 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 877 I C 2.448 178.437 176.117 -0.214 0.000 1.100 877 I CA 1.088 62.040 61.300 -0.579 0.000 1.374 877 I CB -0.238 37.249 38.000 -0.855 0.000 1.057 877 I HN 0.283 nan 8.210 nan 0.000 0.413 878 M N 0.810 120.282 119.600 -0.213 0.000 2.159 878 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 878 M C 2.051 178.219 176.300 -0.220 0.000 1.063 878 M CA 1.804 56.999 55.300 -0.175 0.000 1.110 878 M CB -0.459 31.966 32.600 -0.292 0.000 1.374 878 M HN 0.124 nan 8.290 nan 0.000 0.411 879 E N -0.665 119.385 120.200 -0.251 0.000 2.058 879 E HA -0.271 4.078 4.350 -0.000 0.000 0.194 879 E C 2.229 178.711 176.600 -0.196 0.000 0.997 879 E CA 1.499 57.750 56.400 -0.249 0.000 0.801 879 E CB -0.390 29.290 29.700 -0.033 0.000 0.746 879 E HN 0.535 nan 8.360 nan 0.000 0.450 880 R N 0.761 121.339 120.500 0.131 0.000 2.091 880 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 880 R C 2.310 178.749 176.300 0.231 0.000 1.136 880 R CA 1.327 57.638 56.100 0.352 0.000 0.959 880 R CB -0.224 30.313 30.300 0.395 0.000 0.856 880 R HN 0.147 nan 8.270 nan 0.000 0.437 881 A N 1.123 123.958 122.820 0.026 0.000 1.883 881 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 881 A C 2.200 179.747 177.584 -0.062 0.000 1.186 881 A CA 1.490 53.486 52.037 -0.070 0.000 0.624 881 A CB -0.669 18.261 19.000 -0.117 0.000 0.822 881 A HN 0.368 nan 8.150 nan 0.000 0.444 882 L N -1.919 119.222 121.223 -0.137 0.000 2.083 882 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 882 L C 2.447 179.398 176.870 0.134 0.000 1.083 882 L CA 1.298 56.093 54.840 -0.075 0.000 0.752 882 L CB -0.559 41.421 42.059 -0.131 0.000 0.899 882 L HN 0.456 nan 8.230 nan 0.000 0.433 883 F N -1.246 118.759 119.950 0.091 0.000 2.451 883 F HA -0.171 4.356 4.527 -0.001 0.000 0.299 883 F C 2.122 177.949 175.800 0.045 0.000 1.101 883 F CA 0.604 58.525 58.000 -0.132 0.000 1.436 883 F CB -0.091 38.682 39.000 -0.378 0.000 1.074 883 F HN 0.227 nan 8.300 nan 0.000 0.553 884 H N -0.145 119.110 119.070 0.308 0.000 2.672 884 H HA 0.150 4.706 4.556 -0.001 0.000 0.277 884 H C 1.924 177.333 175.328 0.136 0.000 1.074 884 H CA 0.289 56.458 56.048 0.202 0.000 1.173 884 H CB 0.050 29.822 29.762 0.017 0.000 1.558 884 H HN 0.416 nan 8.280 nan 0.000 0.539 885 M N 0.429 120.163 119.600 0.223 0.000 2.632 885 M HA -0.050 4.430 4.480 -0.000 0.000 0.256 885 M C 1.042 177.421 176.300 0.132 0.000 1.080 885 M CA 1.312 56.715 55.300 0.171 0.000 1.084 885 M CB -0.092 32.640 32.600 0.221 0.000 1.439 885 M HN -0.072 nan 8.290 nan 0.000 0.509 886 D N -0.551 119.889 120.400 0.067 0.000 2.333 886 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 886 D C 0.910 177.263 176.300 0.089 0.000 0.984 886 D CA 0.407 54.472 54.000 0.108 0.000 0.873 886 D CB -0.506 40.404 40.800 0.183 0.000 0.935 886 D HN 0.494 nan 8.370 nan 0.000 0.521 887 N N 0.194 118.913 118.700 0.031 0.000 1.211 887 N HA -0.303 4.436 4.740 -0.000 0.000 0.135 887 N C -0.085 175.349 175.510 -0.126 0.000 0.603 887 N CA 2.628 55.610 53.050 -0.113 0.000 0.964 887 N CB -1.264 37.040 38.487 -0.304 0.000 1.307 887 N HN 0.366 nan 8.380 nan 0.000 0.501 888 C N 0.043 119.003 119.300 -0.565 0.000 2.668 888 C HA 0.420 4.880 4.460 -0.000 0.000 0.301 888 C C -0.570 174.129 174.990 -0.485 0.000 1.351 888 C CA -0.545 58.327 59.018 -0.242 0.000 1.757 888 C CB -2.088 25.564 27.740 -0.147 0.000 2.179 888 C HN 0.330 nan 8.230 nan 0.000 0.586 889 Y N 0.576 120.691 120.300 -0.308 0.000 2.352 889 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 889 Y C 0.277 175.598 175.900 -0.964 0.000 0.992 889 Y CA -1.022 56.756 58.100 -0.536 0.000 1.100 889 Y CB 0.935 39.258 38.460 -0.227 0.000 1.192 889 Y HN -0.123 nan 8.280 nan 0.000 0.458 890 K N 3.894 123.794 120.400 -0.834 0.000 2.316 890 K HA 0.471 4.790 4.320 -0.000 0.000 0.289 890 K C -1.546 174.895 176.600 -0.265 0.000 1.070 890 K CA 0.202 56.079 56.287 -0.683 0.000 0.928 890 K CB -0.022 32.197 32.500 -0.469 0.000 1.039 890 K HN 0.659 nan 8.250 nan 0.000 0.480 891 I N 8.473 128.947 120.570 -0.159 0.000 2.448 891 I HA 0.259 4.429 4.170 -0.000 0.000 0.281 891 I C -1.469 174.603 176.117 -0.074 0.000 1.027 891 I CA -1.949 59.292 61.300 -0.099 0.000 1.111 891 I CB 2.039 39.996 38.000 -0.072 0.000 1.236 891 I HN 0.634 nan 8.210 nan 0.000 0.452 892 P HA -0.091 nan 4.420 nan 0.000 0.218 892 P C -0.280 176.981 177.300 -0.065 0.000 1.149 892 P CA 1.325 64.383 63.100 -0.069 0.000 0.817 892 P CB 0.228 31.879 31.700 -0.082 0.000 0.785 893 N N 0.203 118.839 118.700 -0.106 0.000 2.461 893 N HA 0.446 5.185 4.740 -0.000 0.000 0.284 893 N C -0.887 174.545 175.510 -0.131 0.000 1.049 893 N CA -0.332 52.648 53.050 -0.116 0.000 0.889 893 N CB 2.413 40.793 38.487 -0.178 0.000 1.365 893 N HN 0.087 nan 8.380 nan 0.000 0.499 894 I N 0.752 121.292 120.570 -0.050 0.000 2.692 894 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 894 I C -1.477 174.666 176.117 0.043 0.000 1.200 894 I CA -0.672 60.614 61.300 -0.023 0.000 1.036 894 I CB 2.390 40.385 38.000 -0.008 0.000 1.258 894 I HN 0.341 nan 8.210 nan 0.000 0.421 895 R N 5.260 125.792 120.500 0.054 0.000 2.502 895 R HA 0.661 5.001 4.340 -0.000 0.000 0.298 895 R C -1.368 174.995 176.300 0.105 0.000 1.018 895 R CA -0.576 55.578 56.100 0.091 0.000 0.899 895 R CB 1.926 32.277 30.300 0.084 0.000 1.181 895 R HN 0.816 nan 8.270 nan 0.000 0.444 896 G N 1.890 110.777 108.800 0.145 0.000 2.530 896 G HA2 0.488 4.448 3.960 -0.000 0.000 0.316 896 G HA3 0.488 4.448 3.960 -0.000 0.000 0.316 896 G C -0.693 174.300 174.900 0.156 0.000 1.298 896 G CA -0.430 44.784 45.100 0.189 0.000 0.948 896 G HN 0.555 nan 8.290 nan 0.000 0.486 897 T N -0.982 113.651 114.554 0.132 0.000 2.916 897 T HA 0.845 5.195 4.350 -0.000 0.000 0.292 897 T C -0.029 174.676 174.700 0.009 0.000 1.055 897 T CA -0.633 61.483 62.100 0.027 0.000 1.009 897 T CB 2.369 71.205 68.868 -0.054 0.000 1.118 897 T HN 1.169 nan 8.240 nan 0.000 0.497 898 G N 1.224 109.944 108.800 -0.133 0.000 2.701 898 G HA2 0.644 4.604 3.960 -0.000 0.000 0.300 898 G HA3 0.644 4.604 3.960 -0.000 0.000 0.300 898 G C -1.332 173.377 174.900 -0.318 0.000 1.410 898 G CA -0.919 44.050 45.100 -0.217 0.000 1.014 898 G HN 0.616 nan 8.290 nan 0.000 0.509 899 R N 0.603 120.869 120.500 -0.391 0.000 2.740 899 R HA 0.542 4.881 4.340 -0.000 0.000 0.282 899 R C -0.672 175.566 176.300 -0.105 0.000 0.969 899 R CA -1.127 54.783 56.100 -0.317 0.000 0.918 899 R CB 1.793 31.797 30.300 -0.493 0.000 1.175 899 R HN 0.474 nan 8.270 nan 0.000 0.464 900 L N 1.749 122.996 121.223 0.039 0.000 2.276 900 L HA 0.480 4.820 4.340 -0.000 0.000 0.286 900 L C -0.252 176.809 176.870 0.318 0.000 1.024 900 L CA -0.882 54.057 54.840 0.165 0.000 0.826 900 L CB 1.387 43.573 42.059 0.212 0.000 1.211 900 L HN 0.382 nan 8.230 nan 0.000 0.422 901 C N 2.996 122.457 119.300 0.269 0.000 2.566 901 C HA 0.143 4.602 4.460 -0.000 0.000 0.393 901 C C 0.861 175.809 174.990 -0.071 0.000 1.309 901 C CA -0.624 58.477 59.018 0.138 0.000 1.801 901 C CB -0.072 27.731 27.740 0.104 0.000 2.493 901 C HN 0.691 nan 8.230 nan 0.000 0.575 902 K N 3.539 123.708 120.400 -0.385 0.000 2.285 902 K HA 0.423 4.742 4.320 -0.000 0.000 0.286 902 K C 0.216 176.620 176.600 -0.326 0.000 1.072 902 K CA 0.182 56.080 56.287 -0.647 0.000 0.913 902 K CB 0.451 32.280 32.500 -1.118 0.000 1.067 902 K HN 0.915 nan 8.250 nan 0.000 0.479 903 T N 0.159 114.609 114.554 -0.175 0.000 2.865 903 T HA 0.311 4.661 4.350 -0.000 0.000 0.294 903 T C -0.101 174.522 174.700 -0.128 0.000 1.119 903 T CA -1.096 60.913 62.100 -0.152 0.000 1.007 903 T CB 1.051 69.845 68.868 -0.124 0.000 1.225 903 T HN 0.445 nan 8.240 nan 0.000 0.515 904 N N 1.339 119.956 118.700 -0.139 0.000 3.250 904 N HA 0.347 5.086 4.740 -0.000 0.000 0.307 904 N C -0.874 174.581 175.510 -0.091 0.000 1.355 904 N CA 0.002 52.979 53.050 -0.121 0.000 1.192 904 N CB -0.408 38.010 38.487 -0.114 0.000 1.478 904 N HN 0.491 nan 8.380 nan 0.000 0.543 905 L N -0.334 120.837 121.223 -0.087 0.000 2.350 905 L HA 0.350 4.690 4.340 -0.000 0.000 0.260 905 L C 0.411 177.260 176.870 -0.034 0.000 1.015 905 L CA -0.871 53.925 54.840 -0.073 0.000 0.821 905 L CB 1.844 43.816 42.059 -0.144 0.000 1.370 905 L HN -0.042 nan 8.230 nan 0.000 0.416 906 S N 0.698 116.402 115.700 0.007 0.000 2.558 906 S HA -0.042 4.427 4.470 -0.000 0.000 0.293 906 S C 0.247 174.854 174.600 0.012 0.000 1.292 906 S CA -0.016 58.195 58.200 0.018 0.000 1.063 906 S CB 0.615 63.852 63.200 0.061 0.000 0.831 906 S HN 0.556 nan 8.310 nan 0.000 0.499 907 S N 3.483 119.190 115.700 0.011 0.000 2.546 907 S HA 0.044 4.513 4.470 -0.000 0.000 0.290 907 S C 0.327 174.940 174.600 0.022 0.000 1.262 907 S CA -0.555 57.659 58.200 0.024 0.000 1.083 907 S CB -0.255 62.968 63.200 0.039 0.000 0.859 907 S HN 0.612 nan 8.310 nan 0.000 0.495 908 N N 2.760 121.415 118.700 -0.076 0.000 2.445 908 N HA 0.427 5.167 4.740 -0.000 0.000 0.264 908 N C 0.244 175.759 175.510 0.009 0.000 1.227 908 N CA -0.130 52.807 53.050 -0.188 0.000 0.963 908 N CB 1.532 39.623 38.487 -0.660 0.000 1.188 908 N HN 0.683 nan 8.380 nan 0.000 0.491 909 T N -1.460 113.220 114.554 0.211 0.000 2.612 909 T HA 0.618 4.968 4.350 -0.000 0.000 0.296 909 T C -1.313 173.676 174.700 0.483 0.000 1.148 909 T CA -0.516 61.822 62.100 0.397 0.000 1.077 909 T CB 0.370 69.435 68.868 0.329 0.000 1.591 909 T HN 0.475 nan 8.240 nan 0.000 0.479 910 A N 1.077 124.192 122.820 0.492 0.000 2.462 910 A HA 0.621 4.940 4.320 -0.000 0.000 0.243 910 A C -0.764 177.241 177.584 0.702 0.000 1.076 910 A CA -0.028 52.375 52.037 0.610 0.000 0.773 910 A CB -0.593 18.831 19.000 0.708 0.000 1.010 910 A HN 0.725 nan 8.150 nan 0.000 0.493 911 F N 1.853 122.087 119.950 0.475 0.000 2.605 911 F HA 0.429 4.956 4.527 -0.000 0.000 0.320 911 F C 0.475 176.465 175.800 0.316 0.000 1.159 911 F CA -1.090 57.154 58.000 0.407 0.000 0.999 911 F CB 1.207 40.289 39.000 0.137 0.000 1.258 911 F HN 0.788 nan 8.300 nan 0.000 0.464 912 R N 4.138 125.095 120.500 0.762 0.000 4.326 912 R HA -0.058 4.282 4.340 -0.000 0.000 0.141 912 R C 0.890 177.383 176.300 0.322 0.000 0.356 912 R CA 1.991 58.386 56.100 0.492 0.000 0.851 912 R CB -0.750 29.854 30.300 0.506 0.000 1.039 912 R HN 1.182 nan 8.270 nan 0.000 0.246 913 G N 3.479 112.443 108.800 0.273 0.000 2.436 913 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.204 913 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.204 913 G C 0.271 175.441 174.900 0.450 0.000 1.026 913 G CA -0.081 45.174 45.100 0.259 0.000 0.658 913 G HN 0.818 nan 8.290 nan 0.000 0.499 914 F N 0.745 120.815 119.950 0.199 0.000 2.983 914 F HA 0.072 4.599 4.527 -0.000 0.000 0.288 914 F C 1.755 177.602 175.800 0.078 0.000 0.980 914 F CA 2.553 60.660 58.000 0.178 0.000 0.965 914 F CB -0.999 38.121 39.000 0.200 0.000 0.967 914 F HN 2.082 nan 8.300 nan 0.000 0.800 915 G N -0.536 108.246 108.800 -0.029 0.000 2.268 915 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.240 915 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.240 915 G C 1.530 176.301 174.900 -0.215 0.000 1.010 915 G CA 0.734 45.715 45.100 -0.197 0.000 0.618 915 G HN 1.545 nan 8.290 nan 0.000 0.516 916 G N 1.710 110.458 108.800 -0.086 0.000 2.433 916 G HA2 0.064 4.023 3.960 -0.000 0.000 0.216 916 G HA3 0.064 4.023 3.960 -0.000 0.000 0.216 916 G C 0.112 174.941 174.900 -0.119 0.000 1.186 916 G CA 2.017 47.009 45.100 -0.180 0.000 0.779 916 G HN 0.547 nan 8.290 nan 0.000 0.543 917 P HA -0.067 nan 4.420 nan 0.000 0.217 917 P C 1.770 179.111 177.300 0.068 0.000 1.150 917 P CA 1.279 64.453 63.100 0.124 0.000 0.832 917 P CB -0.000 31.787 31.700 0.145 0.000 0.787 918 Q N -0.331 119.364 119.800 -0.174 0.000 2.050 918 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 918 Q C 2.312 178.210 176.000 -0.169 0.000 0.980 918 Q CA 2.135 57.757 55.803 -0.302 0.000 0.840 918 Q CB -1.332 26.794 28.738 -1.020 0.000 0.898 918 Q HN 0.168 nan 8.270 nan 0.000 0.424 919 A N 0.243 122.915 122.820 -0.247 0.000 1.898 919 A HA -0.118 4.201 4.320 -0.000 0.000 0.216 919 A C 2.064 179.611 177.584 -0.061 0.000 1.181 919 A CA 1.131 53.130 52.037 -0.065 0.000 0.620 919 A CB -0.660 18.298 19.000 -0.070 0.000 0.819 919 A HN 0.321 nan 8.150 nan 0.000 0.442 920 L N -2.163 118.907 121.223 -0.254 0.000 2.093 920 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 920 L C 2.434 179.038 176.870 -0.443 0.000 1.085 920 L CA 1.402 55.880 54.840 -0.603 0.000 0.755 920 L CB -0.572 40.628 42.059 -1.433 0.000 0.904 920 L HN 0.469 nan 8.230 nan 0.000 0.435 921 F N 0.945 120.769 119.950 -0.210 0.000 2.134 921 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 921 F C 2.239 178.052 175.800 0.021 0.000 1.097 921 F CA 1.492 59.577 58.000 0.141 0.000 1.264 921 F CB -0.171 38.924 39.000 0.159 0.000 1.001 921 F HN -0.112 nan 8.300 nan 0.000 0.479 922 I N 0.163 120.732 120.570 -0.001 0.000 2.226 922 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 922 I C 2.689 178.586 176.117 -0.367 0.000 1.100 922 I CA 1.303 62.544 61.300 -0.099 0.000 1.374 922 I CB -0.955 37.136 38.000 0.151 0.000 1.057 922 I HN 0.229 nan 8.210 nan 0.000 0.413 923 A N 0.262 122.857 122.820 -0.374 0.000 1.877 923 A HA -0.187 4.132 4.320 -0.000 0.000 0.216 923 A C 2.230 179.092 177.584 -1.204 0.000 1.186 923 A CA 1.483 52.994 52.037 -0.877 0.000 0.620 923 A CB -0.437 18.343 19.000 -0.368 0.000 0.822 923 A HN 0.323 nan 8.150 nan 0.000 0.443 924 E N -0.046 119.765 120.200 -0.650 0.000 2.153 924 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 924 E C 1.766 177.864 176.600 -0.837 0.000 0.988 924 E CA 1.299 57.276 56.400 -0.704 0.000 0.811 924 E CB -0.518 28.864 29.700 -0.530 0.000 0.746 924 E HN 0.741 nan 8.360 nan 0.000 0.466 925 N N 1.042 119.373 118.700 -0.614 0.000 2.084 925 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 925 N C 1.913 177.218 175.510 -0.340 0.000 1.030 925 N CA 1.953 54.785 53.050 -0.363 0.000 0.849 925 N CB -0.309 37.940 38.487 -0.396 0.000 1.012 925 N HN 0.394 nan 8.380 nan 0.000 0.423 926 W N -0.748 120.304 121.300 -0.414 0.000 2.436 926 W HA 0.001 4.661 4.660 -0.001 0.000 0.284 926 W C 1.664 178.020 176.519 -0.272 0.000 1.225 926 W CA 0.085 57.221 57.345 -0.349 0.000 1.271 926 W CB -0.767 28.436 29.460 -0.428 0.000 1.114 926 W HN 0.123 nan 8.180 nan 0.000 0.559 927 M N 3.411 122.684 119.600 -0.545 0.000 2.117 927 M HA -0.205 4.275 4.480 -0.000 0.000 0.262 927 M C 2.623 178.728 176.300 -0.326 0.000 1.065 927 M CA 2.866 57.873 55.300 -0.488 0.000 1.114 927 M CB -0.914 31.155 32.600 -0.884 0.000 1.361 927 M HN 0.094 nan 8.290 nan 0.000 0.408 928 S N -0.807 114.683 115.700 -0.349 0.000 2.399 928 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 928 S C 1.782 176.310 174.600 -0.120 0.000 1.022 928 S CA 1.648 59.712 58.200 -0.226 0.000 0.983 928 S CB -0.763 62.310 63.200 -0.210 0.000 0.803 928 S HN 0.716 nan 8.310 nan 0.000 0.480 929 E N 0.524 120.678 120.200 -0.077 0.000 2.158 929 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 929 E C 2.095 178.647 176.600 -0.079 0.000 0.982 929 E CA 0.809 57.201 56.400 -0.012 0.000 0.823 929 E CB -0.183 29.576 29.700 0.099 0.000 0.766 929 E HN 0.397 nan 8.360 nan 0.000 0.468 930 V N 1.509 121.298 119.914 -0.208 0.000 2.295 930 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 930 V C 2.347 178.212 176.094 -0.381 0.000 1.049 930 V CA 1.989 63.937 62.300 -0.586 0.000 1.024 930 V CB -0.711 30.716 31.823 -0.660 0.000 0.648 930 V HN 0.331 nan 8.190 nan 0.000 0.447 931 A N -0.200 122.489 122.820 -0.220 0.000 1.877 931 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 931 A C 2.390 179.945 177.584 -0.047 0.000 1.186 931 A CA 2.164 54.132 52.037 -0.115 0.000 0.620 931 A CB -0.755 18.197 19.000 -0.081 0.000 0.822 931 A HN 0.338 nan 8.150 nan 0.000 0.443 932 V N -0.159 119.736 119.914 -0.031 0.000 2.287 932 V HA -0.252 3.867 4.120 -0.000 0.000 0.248 932 V C 2.735 178.856 176.094 0.045 0.000 1.053 932 V CA 2.523 64.835 62.300 0.020 0.000 1.027 932 V CB -1.429 30.414 31.823 0.033 0.000 0.646 932 V HN 0.613 nan 8.190 nan 0.000 0.447 933 T N -0.971 113.610 114.554 0.046 0.000 2.746 933 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 933 T C 1.773 176.562 174.700 0.148 0.000 1.039 933 T CA 1.981 64.159 62.100 0.131 0.000 1.142 933 T CB -0.480 68.543 68.868 0.257 0.000 0.866 933 T HN 0.571 nan 8.240 nan 0.000 0.444 934 C N 0.820 120.181 119.300 0.101 0.000 2.539 934 C HA 0.440 4.900 4.460 -0.000 0.000 0.268 934 C C 2.147 177.183 174.990 0.076 0.000 1.395 934 C CA -0.394 58.693 59.018 0.115 0.000 1.757 934 C CB -1.383 26.410 27.740 0.088 0.000 1.851 934 C HN 0.812 nan 8.230 nan 0.000 0.545 935 G N 0.888 109.724 108.800 0.059 0.000 2.198 935 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 935 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 935 G C -0.174 174.756 174.900 0.049 0.000 1.025 935 G CA 0.087 45.219 45.100 0.054 0.000 0.769 935 G HN 0.550 nan 8.290 nan 0.000 0.507 936 L N -0.239 121.009 121.223 0.042 0.000 2.334 936 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 936 L C -1.923 174.981 176.870 0.056 0.000 1.020 936 L CA -2.607 52.262 54.840 0.049 0.000 0.812 936 L CB 1.723 43.807 42.059 0.043 0.000 1.264 936 L HN -0.153 nan 8.230 nan 0.000 0.439 937 P HA 0.034 nan 4.420 nan 0.000 0.267 937 P C 0.153 177.520 177.300 0.111 0.000 1.205 937 P CA -0.019 63.150 63.100 0.114 0.000 0.765 937 P CB 1.006 32.802 31.700 0.160 0.000 0.828 938 A N 4.472 127.353 122.820 0.101 0.000 1.917 938 A HA -0.277 4.042 4.320 -0.000 0.000 0.219 938 A C 1.777 179.438 177.584 0.128 0.000 1.182 938 A CA 2.017 54.095 52.037 0.068 0.000 0.633 938 A CB -1.052 17.977 19.000 0.049 0.000 0.819 938 A HN 0.596 nan 8.150 nan 0.000 0.448 939 E N 0.105 120.432 120.200 0.212 0.000 2.160 939 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 939 E C 1.825 178.646 176.600 0.369 0.000 0.991 939 E CA 1.337 57.945 56.400 0.347 0.000 0.810 939 E CB -0.366 29.463 29.700 0.215 0.000 0.742 939 E HN 0.863 nan 8.360 nan 0.000 0.466 940 E N 0.895 121.252 120.200 0.262 0.000 2.072 940 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 940 E C 1.927 178.631 176.600 0.174 0.000 0.985 940 E CA 1.178 57.722 56.400 0.240 0.000 0.801 940 E CB 0.143 29.950 29.700 0.179 0.000 0.750 940 E HN 0.175 nan 8.360 nan 0.000 0.452 941 V N 1.511 121.472 119.914 0.078 0.000 2.307 941 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 941 V C 2.509 178.535 176.094 -0.113 0.000 1.045 941 V CA 1.967 64.248 62.300 -0.031 0.000 1.024 941 V CB -0.578 31.189 31.823 -0.093 0.000 0.651 941 V HN 0.258 nan 8.190 nan 0.000 0.449 942 R N -0.966 119.474 120.500 -0.100 0.000 2.081 942 R HA -0.211 4.128 4.340 -0.000 0.000 0.235 942 R C 2.255 178.483 176.300 -0.120 0.000 1.131 942 R CA 1.969 57.961 56.100 -0.180 0.000 0.960 942 R CB -0.511 29.760 30.300 -0.049 0.000 0.856 942 R HN 0.705 nan 8.270 nan 0.000 0.436 943 W N 2.424 123.571 121.300 -0.254 0.000 2.355 943 W HA -0.187 4.473 4.660 -0.001 0.000 0.309 943 W C 1.404 177.839 176.519 -0.140 0.000 1.206 943 W CA 1.290 58.470 57.345 -0.275 0.000 1.284 943 W CB -0.101 29.289 29.460 -0.116 0.000 1.145 943 W HN 0.034 nan 8.180 nan 0.000 0.502 944 K N -0.090 120.261 120.400 -0.081 0.000 2.152 944 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 944 K C 1.353 177.816 176.600 -0.228 0.000 1.048 944 K CA 1.439 57.639 56.287 -0.144 0.000 0.933 944 K CB -0.278 32.204 32.500 -0.030 0.000 0.721 944 K HN 0.147 nan 8.250 nan 0.000 0.447 945 N N 0.081 118.650 118.700 -0.218 0.000 2.236 945 N HA 0.037 4.777 4.740 -0.000 0.000 0.196 945 N C 0.060 175.472 175.510 -0.163 0.000 1.114 945 N CA -0.008 52.925 53.050 -0.194 0.000 0.859 945 N CB 0.427 38.779 38.487 -0.225 0.000 0.982 945 N HN 0.190 nan 8.380 nan 0.000 0.493 946 M N 0.978 120.438 119.600 -0.233 0.000 2.238 946 M HA 0.057 4.537 4.480 -0.000 0.000 0.347 946 M C -0.287 175.829 176.300 -0.306 0.000 1.173 946 M CA -0.209 54.954 55.300 -0.228 0.000 1.147 946 M CB 0.557 32.929 32.600 -0.380 0.000 1.547 946 M HN 0.031 nan 8.290 nan 0.000 0.455 947 Y N 3.471 123.578 120.300 -0.320 0.000 2.709 947 Y HA -0.039 4.511 4.550 -0.000 0.000 0.348 947 Y C 0.527 176.092 175.900 -0.558 0.000 1.267 947 Y CA 0.310 58.073 58.100 -0.561 0.000 1.486 947 Y CB 0.404 38.239 38.460 -1.041 0.000 1.356 947 Y HN 0.438 nan 8.280 nan 0.000 0.639 948 K N 1.266 121.496 120.400 -0.283 0.000 2.221 948 K HA 0.189 4.509 4.320 -0.000 0.000 0.243 948 K C -0.804 175.640 176.600 -0.260 0.000 0.968 948 K CA -1.222 54.944 56.287 -0.203 0.000 0.846 948 K CB 1.551 33.971 32.500 -0.135 0.000 1.141 948 K HN 0.572 nan 8.250 nan 0.000 0.434 949 E N 0.056 120.211 120.200 -0.075 0.000 2.608 949 E HA 0.043 4.393 4.350 -0.000 0.000 0.259 949 E C 0.838 177.375 176.600 -0.104 0.000 0.951 949 E CA 1.827 58.198 56.400 -0.049 0.000 0.945 949 E CB -0.211 29.505 29.700 0.027 0.000 0.916 949 E HN 0.728 nan 8.360 nan 0.000 0.477 950 G N 3.751 112.474 108.800 -0.127 0.000 2.217 950 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.246 950 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.246 950 G C -0.030 174.772 174.900 -0.163 0.000 0.990 950 G CA 0.063 45.092 45.100 -0.118 0.000 0.627 950 G HN 0.658 nan 8.290 nan 0.000 0.522 951 D N 0.562 120.824 120.400 -0.230 0.000 2.400 951 D HA 0.409 5.048 4.640 -0.000 0.000 0.238 951 D C 1.162 177.279 176.300 -0.305 0.000 1.157 951 D CA 0.181 54.047 54.000 -0.223 0.000 0.889 951 D CB 0.531 41.230 40.800 -0.168 0.000 1.199 951 D HN 0.336 nan 8.370 nan 0.000 0.436 952 L N 1.481 122.571 121.223 -0.222 0.000 2.312 952 L HA 0.245 4.585 4.340 -0.000 0.000 0.281 952 L C 1.340 178.025 176.870 -0.308 0.000 1.070 952 L CA -0.728 53.950 54.840 -0.271 0.000 0.805 952 L CB 1.220 43.180 42.059 -0.166 0.000 1.174 952 L HN 0.462 nan 8.230 nan 0.000 0.434 953 T N -2.460 111.765 114.554 -0.549 0.000 2.667 953 T HA -0.014 4.336 4.350 -0.000 0.000 0.305 953 T C 1.461 176.004 174.700 -0.263 0.000 1.022 953 T CA -0.192 61.604 62.100 -0.506 0.000 0.995 953 T CB 0.396 68.564 68.868 -1.168 0.000 1.026 953 T HN 0.749 nan 8.240 nan 0.000 0.527 954 H N 0.265 119.279 119.070 -0.093 0.000 2.518 954 H HA -0.043 4.513 4.556 -0.000 0.000 0.289 954 H C 1.130 176.535 175.328 0.128 0.000 1.051 954 H CA 1.171 57.255 56.048 0.061 0.000 1.280 954 H CB -0.757 29.110 29.762 0.175 0.000 1.380 954 H HN 0.791 nan 8.280 nan 0.000 0.566 955 F N -0.042 119.727 119.950 -0.301 0.000 2.647 955 F HA 0.426 4.952 4.527 -0.000 0.000 0.300 955 F C 0.044 175.844 175.800 -0.001 0.000 1.106 955 F CA -0.969 56.956 58.000 -0.125 0.000 1.313 955 F CB -0.074 38.721 39.000 -0.341 0.000 1.007 955 F HN -0.155 nan 8.300 nan 0.000 0.536 956 N N 1.403 119.947 118.700 -0.259 0.000 2.776 956 N HA -0.253 4.487 4.740 -0.000 0.000 0.250 956 N C -0.249 175.154 175.510 -0.180 0.000 1.112 956 N CA 0.983 53.940 53.050 -0.154 0.000 0.733 956 N CB -1.150 37.335 38.487 -0.004 0.000 1.097 956 N HN 0.779 nan 8.380 nan 0.000 0.558 957 Q N 0.456 120.016 119.800 -0.400 0.000 2.271 957 Q HA 0.405 4.745 4.340 -0.000 0.000 0.258 957 Q C 0.089 175.940 176.000 -0.249 0.000 0.936 957 Q CA -0.754 54.919 55.803 -0.216 0.000 0.909 957 Q CB 1.098 29.815 28.738 -0.035 0.000 1.253 957 Q HN 0.210 nan 8.270 nan 0.000 0.440 958 R N 3.160 123.587 120.500 -0.121 0.000 2.537 958 R HA 0.144 4.483 4.340 -0.000 0.000 0.280 958 R C -0.919 175.306 176.300 -0.125 0.000 1.058 958 R CA 0.184 56.203 56.100 -0.134 0.000 1.057 958 R CB 0.276 30.538 30.300 -0.063 0.000 0.973 958 R HN 0.634 nan 8.270 nan 0.000 0.438 959 L N 5.454 126.525 121.223 -0.252 0.000 2.328 959 L HA 0.241 4.580 4.340 -0.000 0.000 0.280 959 L C -0.094 176.748 176.870 -0.046 0.000 1.111 959 L CA -0.025 54.680 54.840 -0.226 0.000 0.909 959 L CB 0.474 42.199 42.059 -0.555 0.000 1.277 959 L HN 0.607 nan 8.230 nan 0.000 0.433 960 E N 2.421 122.664 120.200 0.072 0.000 2.200 960 E HA 0.370 4.720 4.350 -0.000 0.000 0.283 960 E C 0.728 177.421 176.600 0.155 0.000 1.015 960 E CA -0.318 56.133 56.400 0.085 0.000 0.819 960 E CB 1.497 31.239 29.700 0.070 0.000 1.081 960 E HN 0.690 nan 8.360 nan 0.000 0.397 961 G N 3.415 112.287 108.800 0.120 0.000 2.298 961 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.287 961 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.287 961 G C -0.400 174.595 174.900 0.159 0.000 1.075 961 G CA -0.281 44.895 45.100 0.126 0.000 0.960 961 G HN 0.503 nan 8.290 nan 0.000 0.502 962 F N 2.220 122.104 119.950 -0.111 0.000 2.462 962 F HA 0.482 5.008 4.527 -0.001 0.000 0.360 962 F C 1.329 176.862 175.800 -0.446 0.000 1.134 962 F CA -0.303 57.446 58.000 -0.419 0.000 1.148 962 F CB 0.838 39.636 39.000 -0.337 0.000 1.147 962 F HN 0.311 nan 8.300 nan 0.000 0.550 963 S N 2.987 118.071 115.700 -1.027 0.000 2.554 963 S HA 0.073 4.542 4.470 -0.000 0.000 0.226 963 S C 1.407 175.641 174.600 -0.609 0.000 0.980 963 S CA 0.128 57.995 58.200 -0.555 0.000 0.939 963 S CB -0.299 62.788 63.200 -0.189 0.000 0.832 963 S HN 0.410 nan 8.310 nan 0.000 0.486 964 V N 2.911 122.132 119.914 -1.156 0.000 2.332 964 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 964 V C -0.476 175.497 176.094 -0.202 0.000 1.055 964 V CA 1.893 63.817 62.300 -0.626 0.000 1.038 964 V CB -1.695 29.685 31.823 -0.738 0.000 0.651 964 V HN 0.380 nan 8.190 nan 0.000 0.450 965 P HA -0.162 nan 4.420 nan 0.000 0.216 965 P C 1.777 179.210 177.300 0.222 0.000 1.153 965 P CA 1.510 64.744 63.100 0.224 0.000 0.858 965 P CB -0.104 31.727 31.700 0.219 0.000 0.789 966 R N -1.116 119.424 120.500 0.066 0.000 2.073 966 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 966 R C 2.323 178.662 176.300 0.066 0.000 1.134 966 R CA 1.679 57.813 56.100 0.057 0.000 0.952 966 R CB -1.197 29.108 30.300 0.008 0.000 0.850 966 R HN 0.231 nan 8.270 nan 0.000 0.433 967 C N -0.431 118.901 119.300 0.053 0.000 2.413 967 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 967 C C 2.391 177.452 174.990 0.118 0.000 1.248 967 C CA 0.214 59.276 59.018 0.073 0.000 1.742 967 C CB -1.126 26.660 27.740 0.076 0.000 2.017 967 C HN 0.668 nan 8.230 nan 0.000 0.481 968 W N 1.977 123.263 121.300 -0.023 0.000 2.354 968 W HA -0.126 4.534 4.660 -0.001 0.000 0.315 968 W C 1.924 178.396 176.519 -0.078 0.000 1.206 968 W CA 1.758 59.088 57.345 -0.025 0.000 1.290 968 W CB -0.550 28.960 29.460 0.083 0.000 1.152 968 W HN 0.394 nan 8.180 nan 0.000 0.489 969 D N 0.024 120.496 120.400 0.120 0.000 2.144 969 D HA -0.206 4.433 4.640 -0.000 0.000 0.199 969 D C 1.887 178.144 176.300 -0.073 0.000 0.984 969 D CA 1.576 55.558 54.000 -0.030 0.000 0.834 969 D CB -0.466 40.348 40.800 0.022 0.000 0.955 969 D HN 0.416 nan 8.370 nan 0.000 0.465 970 E N -0.080 120.097 120.200 -0.037 0.000 2.107 970 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 970 E C 2.103 178.651 176.600 -0.088 0.000 0.982 970 E CA 0.484 56.856 56.400 -0.046 0.000 0.809 970 E CB 0.030 29.719 29.700 -0.019 0.000 0.756 970 E HN 0.141 nan 8.360 nan 0.000 0.459 971 C N 0.294 119.518 119.300 -0.126 0.000 2.446 971 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 971 C C 2.526 177.362 174.990 -0.257 0.000 1.275 971 C CA 0.428 59.339 59.018 -0.177 0.000 1.727 971 C CB -1.031 26.591 27.740 -0.196 0.000 2.010 971 C HN 0.445 nan 8.230 nan 0.000 0.486 972 L N 0.675 121.669 121.223 -0.381 0.000 2.042 972 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 972 L C 2.738 179.503 176.870 -0.176 0.000 1.076 972 L CA 2.036 56.637 54.840 -0.398 0.000 0.749 972 L CB -0.689 41.063 42.059 -0.511 0.000 0.893 972 L HN 0.395 nan 8.230 nan 0.000 0.432 973 K N -0.075 120.255 120.400 -0.117 0.000 2.001 973 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 973 K C 2.303 178.877 176.600 -0.045 0.000 1.048 973 K CA 1.738 57.996 56.287 -0.049 0.000 0.932 973 K CB -0.011 32.467 32.500 -0.036 0.000 0.715 973 K HN 0.334 nan 8.250 nan 0.000 0.437 974 S N -0.277 115.388 115.700 -0.059 0.000 2.461 974 S HA -0.068 4.401 4.470 -0.000 0.000 0.228 974 S C 1.832 176.404 174.600 -0.046 0.000 1.005 974 S CA 1.021 59.193 58.200 -0.046 0.000 0.942 974 S CB 0.024 63.197 63.200 -0.045 0.000 0.776 974 S HN 0.362 nan 8.310 nan 0.000 0.514 975 S N 0.650 116.313 115.700 -0.061 0.000 2.528 975 S HA 0.136 4.606 4.470 -0.000 0.000 0.219 975 S C 0.558 175.137 174.600 -0.034 0.000 0.985 975 S CA 0.055 58.226 58.200 -0.048 0.000 0.914 975 S CB -0.746 62.419 63.200 -0.058 0.000 0.776 975 S HN 0.565 nan 8.310 nan 0.000 0.526 976 Q N -0.414 119.368 119.800 -0.030 0.000 2.451 976 Q HA -0.275 4.064 4.340 -0.000 0.000 0.305 976 Q C 0.198 176.183 176.000 -0.024 0.000 1.345 976 Q CA 0.708 56.504 55.803 -0.012 0.000 0.854 976 Q CB -2.483 26.247 28.738 -0.013 0.000 1.162 976 Q HN 0.795 nan 8.270 nan 0.000 0.440 977 Y N -0.414 119.759 120.300 -0.212 0.000 2.097 977 Y HA -0.332 4.218 4.550 -0.000 0.000 0.282 977 Y C 1.617 177.367 175.900 -0.251 0.000 1.152 977 Y CA 2.486 60.401 58.100 -0.309 0.000 1.136 977 Y CB -0.237 37.904 38.460 -0.532 0.000 0.975 977 Y HN 0.418 nan 8.280 nan 0.000 0.498 978 Y N -0.523 119.764 120.300 -0.021 0.000 2.242 978 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 978 Y C 2.649 178.471 175.900 -0.128 0.000 1.137 978 Y CA 0.853 58.896 58.100 -0.095 0.000 1.181 978 Y CB -0.721 37.744 38.460 0.008 0.000 0.989 978 Y HN 0.253 nan 8.280 nan 0.000 0.527 979 A N 0.511 123.362 122.820 0.052 0.000 1.873 979 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 979 A C 2.197 179.748 177.584 -0.056 0.000 1.186 979 A CA 1.493 53.531 52.037 0.002 0.000 0.616 979 A CB -0.511 18.493 19.000 0.007 0.000 0.823 979 A HN 0.357 nan 8.150 nan 0.000 0.442 980 R N -0.597 119.839 120.500 -0.107 0.000 2.148 980 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 980 R C 2.263 178.451 176.300 -0.187 0.000 1.103 980 R CA 1.325 57.345 56.100 -0.134 0.000 0.983 980 R CB -0.226 29.991 30.300 -0.139 0.000 0.874 980 R HN 0.600 nan 8.270 nan 0.000 0.451 981 K N 0.488 120.710 120.400 -0.296 0.000 2.097 981 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 981 K C 1.889 178.413 176.600 -0.125 0.000 1.049 981 K CA 1.603 57.712 56.287 -0.297 0.000 0.933 981 K CB 0.110 32.344 32.500 -0.444 0.000 0.717 981 K HN 0.008 nan 8.250 nan 0.000 0.442 982 S N 1.176 116.830 115.700 -0.076 0.000 2.368 982 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 982 S C 1.586 176.178 174.600 -0.014 0.000 1.030 982 S CA 1.434 59.617 58.200 -0.029 0.000 0.999 982 S CB -0.214 62.978 63.200 -0.013 0.000 0.844 982 S HN 0.412 nan 8.310 nan 0.000 0.459 983 E N 0.664 120.851 120.200 -0.022 0.000 2.118 983 E HA -0.119 4.230 4.350 -0.000 0.000 0.195 983 E C 2.076 178.699 176.600 0.038 0.000 0.992 983 E CA 1.170 57.575 56.400 0.008 0.000 0.804 983 E CB -0.272 29.422 29.700 -0.011 0.000 0.741 983 E HN 0.238 nan 8.360 nan 0.000 0.458 984 V N 1.992 121.901 119.914 -0.009 0.000 2.295 984 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 984 V C 1.627 177.767 176.094 0.077 0.000 1.049 984 V CA 2.054 64.360 62.300 0.009 0.000 1.024 984 V CB -0.436 31.352 31.823 -0.059 0.000 0.648 984 V HN 0.225 nan 8.190 nan 0.000 0.447 985 D N -0.160 120.261 120.400 0.035 0.000 2.097 985 D HA -0.186 4.453 4.640 -0.000 0.000 0.195 985 D C 2.105 178.433 176.300 0.047 0.000 0.989 985 D CA 1.377 55.399 54.000 0.036 0.000 0.827 985 D CB -0.287 40.520 40.800 0.012 0.000 0.966 985 D HN 0.392 nan 8.370 nan 0.000 0.456 986 K N -0.159 120.270 120.400 0.048 0.000 2.032 986 K HA -0.178 4.141 4.320 -0.000 0.000 0.209 986 K C 2.165 178.800 176.600 0.059 0.000 1.048 986 K CA 0.903 57.214 56.287 0.040 0.000 0.927 986 K CB -0.382 32.140 32.500 0.038 0.000 0.712 986 K HN 0.068 nan 8.250 nan 0.000 0.441 987 F N 2.100 122.035 119.950 -0.025 0.000 2.120 987 F HA -0.242 4.284 4.527 -0.000 0.000 0.300 987 F C 1.696 177.482 175.800 -0.024 0.000 1.095 987 F CA 1.689 59.678 58.000 -0.020 0.000 1.249 987 F CB -0.162 38.829 39.000 -0.016 0.000 0.995 987 F HN 0.159 nan 8.300 nan 0.000 0.480 988 N N 0.333 119.138 118.700 0.175 0.000 2.459 988 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 988 N C 1.464 176.943 175.510 -0.053 0.000 1.046 988 N CA 0.865 53.967 53.050 0.085 0.000 0.904 988 N CB -0.179 38.372 38.487 0.107 0.000 0.964 988 N HN 0.421 nan 8.380 nan 0.000 0.444 989 K N 0.457 120.818 120.400 -0.065 0.000 2.262 989 K HA 0.099 4.419 4.320 -0.000 0.000 0.200 989 K C 1.083 177.605 176.600 -0.130 0.000 1.049 989 K CA 0.559 56.793 56.287 -0.088 0.000 0.979 989 K CB 0.293 32.759 32.500 -0.056 0.000 0.773 989 K HN 0.252 nan 8.250 nan 0.000 0.474 990 E N 0.343 120.438 120.200 -0.176 0.000 2.447 990 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 990 E C 0.011 176.451 176.600 -0.267 0.000 1.028 990 E CA 0.155 56.434 56.400 -0.202 0.000 0.876 990 E CB 0.306 29.886 29.700 -0.201 0.000 0.885 990 E HN 0.208 nan 8.360 nan 0.000 0.500 991 N N -0.193 118.302 118.700 -0.341 0.000 2.319 991 N HA 0.125 4.865 4.740 -0.000 0.000 0.305 991 N C -0.452 174.922 175.510 -0.227 0.000 1.103 991 N CA -0.278 52.575 53.050 -0.327 0.000 0.815 991 N CB 2.216 40.357 38.487 -0.576 0.000 1.288 991 N HN -0.027 nan 8.380 nan 0.000 0.493 992 C N 0.845 120.023 119.300 -0.204 0.000 2.464 992 C HA 0.283 4.742 4.460 -0.000 0.000 0.348 992 C C 0.962 175.723 174.990 -0.382 0.000 1.367 992 C CA -0.272 58.511 59.018 -0.390 0.000 2.012 992 C CB -0.591 26.835 27.740 -0.524 0.000 2.434 992 C HN 0.897 nan 8.230 nan 0.000 0.536 993 W N 1.542 122.913 121.300 0.119 0.000 3.008 993 W HA 0.430 5.089 4.660 -0.001 0.000 0.355 993 W C 0.512 177.095 176.519 0.107 0.000 1.095 993 W CA -0.322 57.100 57.345 0.129 0.000 1.738 993 W CB 0.312 29.817 29.460 0.075 0.000 1.091 993 W HN 0.021 nan 8.180 nan 0.000 0.574 994 K N 1.364 121.928 120.400 0.273 0.000 2.378 994 K HA 0.432 4.752 4.320 -0.000 0.000 0.252 994 K C -0.212 176.599 176.600 0.352 0.000 0.931 994 K CA -0.837 55.629 56.287 0.299 0.000 0.794 994 K CB 2.165 34.878 32.500 0.355 0.000 1.181 994 K HN -0.435 nan 8.250 nan 0.000 0.425 995 K N 2.253 122.841 120.400 0.313 0.000 2.435 995 K HA 0.486 4.805 4.320 -0.000 0.000 0.251 995 K C -0.591 176.095 176.600 0.143 0.000 0.954 995 K CA -0.810 55.648 56.287 0.285 0.000 0.820 995 K CB 2.413 35.004 32.500 0.151 0.000 1.292 995 K HN 0.530 nan 8.250 nan 0.000 0.436 996 R N -0.222 120.320 120.500 0.071 0.000 2.732 996 R HA 0.705 5.044 4.340 -0.000 0.000 0.278 996 R C -0.047 176.234 176.300 -0.032 0.000 0.976 996 R CA -0.956 55.078 56.100 -0.109 0.000 0.963 996 R CB 1.968 32.057 30.300 -0.352 0.000 1.150 996 R HN 0.759 nan 8.270 nan 0.000 0.478 997 G N 1.110 109.882 108.800 -0.047 0.000 2.620 997 G HA2 0.597 4.557 3.960 -0.000 0.000 0.301 997 G HA3 0.597 4.557 3.960 -0.000 0.000 0.301 997 G C -2.026 172.862 174.900 -0.020 0.000 1.347 997 G CA -0.411 44.681 45.100 -0.014 0.000 0.971 997 G HN 0.349 nan 8.290 nan 0.000 0.488 998 L N 0.894 122.118 121.223 0.001 0.000 2.464 998 L HA 0.837 5.176 4.340 -0.000 0.000 0.266 998 L C -1.054 175.881 176.870 0.109 0.000 0.965 998 L CA -0.602 54.248 54.840 0.016 0.000 0.833 998 L CB 1.809 43.819 42.059 -0.081 0.000 1.296 998 L HN 0.781 nan 8.230 nan 0.000 0.405 999 C N 5.283 124.676 119.300 0.155 0.000 2.985 999 C HA 0.700 5.160 4.460 -0.000 0.000 0.314 999 C C -1.158 173.902 174.990 0.117 0.000 1.215 999 C CA -0.788 58.339 59.018 0.181 0.000 1.414 999 C CB 1.236 29.080 27.740 0.173 0.000 1.842 999 C HN 0.920 nan 8.230 nan 0.000 0.477 1000 I N 5.361 125.934 120.570 0.006 0.000 2.436 1000 I HA 0.711 4.881 4.170 -0.000 0.000 0.289 1000 I C -1.218 174.928 176.117 0.048 0.000 1.010 1000 I CA -0.617 60.590 61.300 -0.155 0.000 1.098 1000 I CB 1.111 38.696 38.000 -0.692 0.000 1.266 1000 I HN 0.668 nan 8.210 nan 0.000 0.434 1001 I N 9.153 129.803 120.570 0.134 0.000 2.582 1001 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 1001 I C -2.510 173.804 176.117 0.328 0.000 1.066 1001 I CA -1.781 59.665 61.300 0.243 0.000 1.053 1001 I CB 2.834 40.896 38.000 0.105 0.000 1.241 1001 I HN 0.383 nan 8.210 nan 0.000 0.421 1002 P HA 0.420 nan 4.420 nan 0.000 0.287 1002 P C -1.056 176.409 177.300 0.274 0.000 1.279 1002 P CA -0.591 62.688 63.100 0.298 0.000 0.867 1002 P CB 2.090 33.885 31.700 0.159 0.000 1.127 1003 T N -0.617 114.106 114.554 0.283 0.000 2.900 1003 T HA 0.599 4.949 4.350 -0.000 0.000 0.303 1003 T C -1.541 173.345 174.700 0.310 0.000 1.142 1003 T CA -0.713 61.578 62.100 0.318 0.000 1.007 1003 T CB 1.006 70.157 68.868 0.471 0.000 1.156 1003 T HN 0.628 nan 8.240 nan 0.000 0.490 1004 K N 2.414 122.993 120.400 0.298 0.000 2.422 1004 K HA 0.731 5.051 4.320 -0.000 0.000 0.251 1004 K C -2.021 174.795 176.600 0.361 0.000 0.933 1004 K CA -0.860 55.605 56.287 0.297 0.000 0.798 1004 K CB 1.963 34.673 32.500 0.350 0.000 1.238 1004 K HN 0.468 nan 8.250 nan 0.000 0.428 1005 F N 1.401 121.405 119.950 0.091 0.000 2.562 1005 F HA 0.463 4.989 4.527 -0.001 0.000 0.319 1005 F C -0.240 175.477 175.800 -0.139 0.000 1.154 1005 F CA -0.306 57.751 58.000 0.095 0.000 0.931 1005 F CB 2.094 41.067 39.000 -0.045 0.000 1.198 1005 F HN 0.797 nan 8.300 nan 0.000 0.444 1006 G N 6.385 114.744 108.800 -0.735 0.000 2.380 1006 G HA2 0.443 4.403 3.960 -0.000 0.000 0.262 1006 G HA3 0.443 4.403 3.960 -0.000 0.000 0.262 1006 G C -0.808 173.311 174.900 -1.303 0.000 1.243 1006 G CA -0.439 43.541 45.100 -1.866 0.000 0.865 1006 G HN 0.477 nan 8.290 nan 0.000 0.513 1007 I N 1.599 121.628 120.570 -0.902 0.000 2.312 1007 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 1007 I C 0.292 176.250 176.117 -0.265 0.000 1.008 1007 I CA -0.167 60.805 61.300 -0.547 0.000 1.226 1007 I CB 0.151 37.576 38.000 -0.958 0.000 1.371 1007 I HN 0.441 nan 8.210 nan 0.000 0.468 1008 S N 4.596 120.217 115.700 -0.131 0.000 2.802 1008 S HA 0.185 4.655 4.470 -0.000 0.000 0.272 1008 S C -0.745 173.797 174.600 -0.096 0.000 0.788 1008 S CA -0.907 57.242 58.200 -0.084 0.000 1.016 1008 S CB 0.147 63.327 63.200 -0.033 0.000 1.278 1008 S HN 0.295 nan 8.310 nan 0.000 0.494 1009 F N 2.312 122.200 119.950 -0.103 0.000 2.572 1009 F HA 0.118 4.645 4.527 -0.000 0.000 0.370 1009 F C 2.346 178.071 175.800 -0.126 0.000 1.103 1009 F CA 0.999 58.920 58.000 -0.131 0.000 1.286 1009 F CB 0.735 39.633 39.000 -0.170 0.000 1.105 1009 F HN 0.804 nan 8.300 nan 0.000 0.583 1010 T N -0.952 113.680 114.554 0.130 0.000 2.962 1010 T HA -0.033 4.316 4.350 -0.000 0.000 0.270 1010 T C 0.535 175.282 174.700 0.078 0.000 1.088 1010 T CA 0.378 62.532 62.100 0.090 0.000 1.127 1010 T CB -0.489 68.559 68.868 0.299 0.000 0.883 1010 T HN 0.179 nan 8.240 nan 0.000 0.493 1011 V N 3.909 123.842 119.914 0.031 0.000 2.368 1011 V HA 0.226 4.345 4.120 -0.000 0.000 0.266 1011 V C -1.300 174.658 176.094 -0.228 0.000 1.045 1011 V CA -1.674 60.533 62.300 -0.155 0.000 0.899 1011 V CB 1.153 32.734 31.823 -0.404 0.000 1.006 1011 V HN 0.170 nan 8.190 nan 0.000 0.470 1012 P HA -0.184 nan 4.420 nan 0.000 0.216 1012 P C 1.550 178.805 177.300 -0.075 0.000 1.150 1012 P CA 1.394 64.452 63.100 -0.071 0.000 0.843 1012 P CB -0.008 31.692 31.700 0.001 0.000 0.787 1013 F N -1.474 118.447 119.950 -0.048 0.000 2.451 1013 F HA 0.024 4.550 4.527 -0.000 0.000 0.299 1013 F C 1.560 177.275 175.800 -0.142 0.000 1.101 1013 F CA 0.758 58.713 58.000 -0.074 0.000 1.436 1013 F CB -1.736 37.233 39.000 -0.052 0.000 1.074 1013 F HN -0.197 nan 8.300 nan 0.000 0.553 1014 L N 0.696 121.651 121.223 -0.446 0.000 2.465 1014 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 1014 L C 0.715 177.345 176.870 -0.399 0.000 1.145 1014 L CA 0.422 54.905 54.840 -0.595 0.000 0.834 1014 L CB -0.727 40.550 42.059 -1.304 0.000 0.944 1014 L HN 0.161 nan 8.230 nan 0.000 0.451 1015 N N 2.442 121.053 118.700 -0.148 0.000 3.254 1015 N HA 0.054 4.794 4.740 -0.000 0.000 0.308 1015 N C -0.423 174.986 175.510 -0.168 0.000 1.281 1015 N CA 0.171 53.194 53.050 -0.046 0.000 1.212 1015 N CB 0.252 38.713 38.487 -0.044 0.000 1.478 1015 N HN 0.533 nan 8.380 nan 0.000 0.548 1016 Q N -0.969 118.717 119.800 -0.190 0.000 2.418 1016 Q HA 0.818 5.157 4.340 -0.000 0.000 0.282 1016 Q C -1.847 173.941 176.000 -0.354 0.000 1.044 1016 Q CA -1.279 54.320 55.803 -0.340 0.000 0.813 1016 Q CB 2.236 30.896 28.738 -0.130 0.000 1.428 1016 Q HN 0.062 nan 8.270 nan 0.000 0.402 1017 A N 0.663 123.133 122.820 -0.583 0.000 2.517 1017 A HA 0.864 5.184 4.320 -0.000 0.000 0.297 1017 A C -0.816 176.646 177.584 -0.204 0.000 1.050 1017 A CA -0.125 51.696 52.037 -0.360 0.000 0.694 1017 A CB 1.876 20.483 19.000 -0.656 0.000 1.277 1017 A HN 0.911 nan 8.150 nan 0.000 0.400 1018 G N -0.219 108.718 108.800 0.228 0.000 2.473 1018 G HA2 0.889 4.848 3.960 -0.000 0.000 0.321 1018 G HA3 0.889 4.848 3.960 -0.000 0.000 0.321 1018 G C -0.433 174.666 174.900 0.333 0.000 1.200 1018 G CA -0.041 45.263 45.100 0.340 0.000 0.963 1018 G HN 1.909 nan 8.290 nan 0.000 0.483 1019 A N -0.235 122.735 122.820 0.250 0.000 2.556 1019 A HA 0.800 5.120 4.320 -0.000 0.000 0.294 1019 A C -1.843 175.802 177.584 0.102 0.000 1.091 1019 A CA -0.600 51.548 52.037 0.186 0.000 0.704 1019 A CB 2.138 21.247 19.000 0.182 0.000 1.300 1019 A HN 1.460 nan 8.150 nan 0.000 0.406 1020 L N 1.895 123.131 121.223 0.021 0.000 2.438 1020 L HA 0.735 5.075 4.340 -0.000 0.000 0.270 1020 L C -1.739 175.014 176.870 -0.195 0.000 0.972 1020 L CA -0.323 54.471 54.840 -0.077 0.000 0.831 1020 L CB 1.611 43.606 42.059 -0.107 0.000 1.273 1020 L HN 0.551 nan 8.230 nan 0.000 0.405 1021 I N 4.391 124.850 120.570 -0.186 0.000 2.509 1021 I HA 0.486 4.655 4.170 -0.000 0.000 0.293 1021 I C -0.585 175.412 176.117 -0.200 0.000 1.020 1021 I CA -0.565 60.629 61.300 -0.178 0.000 1.088 1021 I CB 1.675 39.661 38.000 -0.023 0.000 1.267 1021 I HN 0.568 nan 8.210 nan 0.000 0.430 1022 H N 4.610 123.633 119.070 -0.079 0.000 2.538 1022 H HA 0.588 5.144 4.556 -0.000 0.000 0.353 1022 H C -0.721 174.446 175.328 -0.268 0.000 1.109 1022 H CA -0.758 55.144 56.048 -0.244 0.000 1.192 1022 H CB 2.517 31.994 29.762 -0.475 0.000 1.555 1022 H HN 0.175 nan 8.280 nan 0.000 0.518 1023 V N 4.460 124.306 119.914 -0.113 0.000 2.384 1023 V HA 0.219 4.339 4.120 -0.000 0.000 0.287 1023 V C -0.251 175.710 176.094 -0.220 0.000 1.020 1023 V CA -0.788 61.476 62.300 -0.059 0.000 0.850 1023 V CB 0.150 32.025 31.823 0.087 0.000 0.987 1023 V HN 0.590 nan 8.190 nan 0.000 0.436 1024 Y N 1.872 122.216 120.300 0.073 0.000 2.334 1024 Y HA 0.233 4.783 4.550 -0.001 0.000 0.325 1024 Y C 2.079 177.937 175.900 -0.071 0.000 1.308 1024 Y CA 0.055 58.144 58.100 -0.018 0.000 1.389 1024 Y CB 0.936 39.391 38.460 -0.009 0.000 1.328 1024 Y HN 0.728 nan 8.280 nan 0.000 0.532 1025 T N -3.539 111.025 114.554 0.017 0.000 3.118 1025 T HA -0.127 4.223 4.350 -0.000 0.000 0.260 1025 T C 0.851 175.513 174.700 -0.064 0.000 1.139 1025 T CA 0.921 62.942 62.100 -0.132 0.000 1.085 1025 T CB -0.323 68.334 68.868 -0.353 0.000 0.934 1025 T HN 0.737 nan 8.240 nan 0.000 0.518 1026 D N 1.084 121.489 120.400 0.009 0.000 2.349 1026 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 1026 D C 1.714 178.066 176.300 0.086 0.000 1.029 1026 D CA 0.605 54.621 54.000 0.026 0.000 0.879 1026 D CB -0.787 40.026 40.800 0.021 0.000 0.906 1026 D HN 0.548 nan 8.370 nan 0.000 0.528 1027 G N 0.482 109.353 108.800 0.118 0.000 2.179 1027 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 1027 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 1027 G C 0.402 175.590 174.900 0.482 0.000 0.977 1027 G CA 0.575 45.852 45.100 0.296 0.000 0.641 1027 G HN 0.845 nan 8.290 nan 0.000 0.533 1028 S N -0.695 115.188 115.700 0.304 0.000 2.576 1028 S HA 0.662 5.131 4.470 -0.000 0.000 0.276 1028 S C 0.066 174.870 174.600 0.340 0.000 1.339 1028 S CA -0.078 58.288 58.200 0.277 0.000 1.039 1028 S CB 2.477 65.792 63.200 0.190 0.000 0.902 1028 S HN 1.074 nan 8.310 nan 0.000 0.516 1029 V N 3.158 123.235 119.914 0.272 0.000 2.495 1029 V HA 0.560 4.679 4.120 -0.000 0.000 0.298 1029 V C -0.576 175.658 176.094 0.232 0.000 1.031 1029 V CA -0.815 61.623 62.300 0.230 0.000 0.871 1029 V CB 1.352 33.276 31.823 0.168 0.000 0.988 1029 V HN 0.887 nan 8.190 nan 0.000 0.432 1030 L N 6.025 127.376 121.223 0.213 0.000 2.325 1030 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 1030 L C -0.649 176.248 176.870 0.044 0.000 1.004 1030 L CA -0.026 54.940 54.840 0.209 0.000 0.823 1030 L CB 1.802 44.092 42.059 0.385 0.000 1.236 1030 L HN 0.447 nan 8.230 nan 0.000 0.415 1031 V N 3.998 123.918 119.914 0.011 0.000 2.435 1031 V HA 0.648 4.768 4.120 -0.000 0.000 0.290 1031 V C -0.029 176.015 176.094 -0.084 0.000 1.030 1031 V CA -0.363 61.920 62.300 -0.029 0.000 0.881 1031 V CB 1.578 33.413 31.823 0.020 0.000 0.983 1031 V HN 0.844 nan 8.190 nan 0.000 0.445 1032 S N 4.506 120.148 115.700 -0.097 0.000 2.513 1032 S HA 0.752 5.222 4.470 -0.000 0.000 0.299 1032 S C -0.862 173.709 174.600 -0.048 0.000 1.087 1032 S CA -0.600 57.512 58.200 -0.147 0.000 1.012 1032 S CB 0.856 63.973 63.200 -0.138 0.000 1.044 1032 S HN 1.030 nan 8.310 nan 0.000 0.485 1033 H N 0.624 119.633 119.070 -0.102 0.000 2.990 1033 H HA 0.449 5.004 4.556 -0.000 0.000 0.343 1033 H C 0.727 175.923 175.328 -0.219 0.000 1.270 1033 H CA -0.595 55.401 56.048 -0.088 0.000 1.118 1033 H CB 1.073 30.799 29.762 -0.060 0.000 1.861 1033 H HN 0.686 nan 8.280 nan 0.000 0.544 1034 G N -0.127 108.583 108.800 -0.150 0.000 2.744 1034 G HA2 0.123 4.083 3.960 -0.000 0.000 0.211 1034 G HA3 0.123 4.083 3.960 -0.000 0.000 0.211 1034 G C 0.676 175.295 174.900 -0.469 0.000 1.143 1034 G CA 0.335 45.329 45.100 -0.177 0.000 0.788 1034 G HN 0.797 nan 8.290 nan 0.000 0.534 1035 G N -0.009 108.262 108.800 -0.882 0.000 2.476 1035 G HA2 0.464 4.424 3.960 -0.000 0.000 0.269 1035 G HA3 0.464 4.424 3.960 -0.000 0.000 0.269 1035 G C 0.014 174.802 174.900 -0.188 0.000 1.195 1035 G CA 0.266 45.056 45.100 -0.516 0.000 0.843 1035 G HN 0.336 nan 8.290 nan 0.000 0.545 1036 T N -1.322 113.162 114.554 -0.118 0.000 2.888 1036 T HA 0.544 4.893 4.350 -0.000 0.000 0.284 1036 T C -0.365 174.205 174.700 -0.216 0.000 1.017 1036 T CA -0.804 61.222 62.100 -0.123 0.000 1.022 1036 T CB 2.250 71.062 68.868 -0.093 0.000 1.013 1036 T HN 0.443 nan 8.240 nan 0.000 0.465 1037 E N 2.552 122.553 120.200 -0.333 0.000 2.194 1037 E HA 0.370 4.720 4.350 -0.000 0.000 0.284 1037 E C 0.462 176.967 176.600 -0.159 0.000 1.035 1037 E CA -0.556 55.626 56.400 -0.363 0.000 0.836 1037 E CB 0.601 29.998 29.700 -0.504 0.000 1.070 1037 E HN 0.773 nan 8.360 nan 0.000 0.401 1038 M N 2.441 121.963 119.600 -0.130 0.000 2.414 1038 M HA 0.482 4.962 4.480 -0.000 0.000 0.357 1038 M C 0.821 177.063 176.300 -0.096 0.000 1.059 1038 M CA 0.112 55.333 55.300 -0.132 0.000 0.959 1038 M CB 0.810 33.275 32.600 -0.225 0.000 1.522 1038 M HN 0.577 nan 8.290 nan 0.000 0.551 1039 G N 1.712 110.516 108.800 0.007 0.000 2.231 1039 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 1039 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 1039 G C 0.852 175.828 174.900 0.127 0.000 0.996 1039 G CA 0.362 45.505 45.100 0.071 0.000 0.645 1039 G HN 0.589 nan 8.290 nan 0.000 0.498 1040 Q N 1.526 121.359 119.800 0.055 0.000 2.451 1040 Q HA 0.323 4.662 4.340 -0.000 0.000 0.206 1040 Q C 1.632 177.656 176.000 0.040 0.000 0.947 1040 Q CA 1.478 57.311 55.803 0.050 0.000 0.937 1040 Q CB -0.270 28.473 28.738 0.007 0.000 1.025 1040 Q HN 1.942 nan 8.270 nan 0.000 0.511 1041 G N 1.664 110.470 108.800 0.010 0.000 2.137 1041 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.237 1041 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.237 1041 G C 0.386 175.186 174.900 -0.166 0.000 1.002 1041 G CA 0.363 45.357 45.100 -0.176 0.000 0.702 1041 G HN 0.379 nan 8.290 nan 0.000 0.515 1042 L N 0.358 121.494 121.223 -0.145 0.000 2.012 1042 L HA -0.023 4.316 4.340 -0.000 0.000 0.210 1042 L C 2.591 179.437 176.870 -0.040 0.000 1.073 1042 L CA 3.018 57.797 54.840 -0.102 0.000 0.748 1042 L CB -0.511 41.482 42.059 -0.110 0.000 0.891 1042 L HN 0.426 nan 8.230 nan 0.000 0.431 1043 H N -1.012 118.023 119.070 -0.058 0.000 2.387 1043 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 1043 H C 2.162 177.430 175.328 -0.101 0.000 1.090 1043 H CA 1.756 57.781 56.048 -0.038 0.000 1.332 1043 H CB -1.022 28.692 29.762 -0.080 0.000 1.386 1043 H HN 0.368 nan 8.280 nan 0.000 0.516 1044 T N 1.294 115.803 114.554 -0.074 0.000 2.652 1044 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 1044 T C 2.024 176.697 174.700 -0.044 0.000 1.039 1044 T CA 1.583 63.625 62.100 -0.097 0.000 1.153 1044 T CB -0.033 68.719 68.868 -0.194 0.000 0.863 1044 T HN 0.358 nan 8.240 nan 0.000 0.428 1045 K N 0.393 120.766 120.400 -0.044 0.000 2.063 1045 K HA -0.029 4.290 4.320 -0.000 0.000 0.208 1045 K C 2.396 178.996 176.600 -0.001 0.000 1.048 1045 K CA 1.164 57.441 56.287 -0.017 0.000 0.928 1045 K CB -0.172 32.319 32.500 -0.016 0.000 0.713 1045 K HN 0.221 nan 8.250 nan 0.000 0.442 1046 M N 0.371 119.966 119.600 -0.009 0.000 2.132 1046 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 1046 M C 2.282 178.593 176.300 0.019 0.000 1.065 1046 M CA 1.300 56.590 55.300 -0.016 0.000 1.122 1046 M CB -0.724 31.830 32.600 -0.077 0.000 1.365 1046 M HN -0.055 nan 8.290 nan 0.000 0.411 1047 V N 0.493 120.417 119.914 0.018 0.000 2.343 1047 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 1047 V C 2.430 178.528 176.094 0.008 0.000 1.051 1047 V CA 1.599 63.906 62.300 0.011 0.000 1.036 1047 V CB -0.806 31.020 31.823 0.005 0.000 0.654 1047 V HN 0.520 nan 8.190 nan 0.000 0.451 1048 Q N -0.607 119.195 119.800 0.004 0.000 2.096 1048 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 1048 Q C 2.366 178.378 176.000 0.020 0.000 0.982 1048 Q CA 1.858 57.658 55.803 -0.005 0.000 0.850 1048 Q CB -0.379 28.351 28.738 -0.014 0.000 0.901 1048 Q HN 0.544 nan 8.270 nan 0.000 0.422 1049 V N 1.091 121.049 119.914 0.074 0.000 2.261 1049 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 1049 V C 2.329 178.525 176.094 0.170 0.000 1.047 1049 V CA 1.944 64.358 62.300 0.190 0.000 1.015 1049 V CB -1.067 30.871 31.823 0.192 0.000 0.642 1049 V HN 0.425 nan 8.190 nan 0.000 0.446 1050 A N -0.494 122.381 122.820 0.093 0.000 1.883 1050 A HA -0.274 4.045 4.320 -0.000 0.000 0.217 1050 A C 2.586 180.178 177.584 0.013 0.000 1.186 1050 A CA 2.480 54.551 52.037 0.057 0.000 0.624 1050 A CB -0.934 18.086 19.000 0.034 0.000 0.822 1050 A HN 0.528 nan 8.150 nan 0.000 0.444 1051 S N -0.431 115.262 115.700 -0.013 0.000 2.370 1051 S HA -0.244 4.226 4.470 -0.000 0.000 0.226 1051 S C 2.130 176.702 174.600 -0.048 0.000 1.033 1051 S CA 2.060 60.224 58.200 -0.060 0.000 1.011 1051 S CB -0.340 62.826 63.200 -0.057 0.000 0.852 1051 S HN 0.628 nan 8.310 nan 0.000 0.457 1052 K N 0.461 120.850 120.400 -0.017 0.000 2.026 1052 K HA -0.002 4.317 4.320 -0.000 0.000 0.208 1052 K C 2.236 178.874 176.600 0.064 0.000 1.048 1052 K CA 1.246 57.518 56.287 -0.025 0.000 0.929 1052 K CB -0.601 31.812 32.500 -0.145 0.000 0.713 1052 K HN 0.408 nan 8.250 nan 0.000 0.439 1053 A N 1.075 123.984 122.820 0.149 0.000 1.898 1053 A HA -0.074 4.245 4.320 -0.000 0.000 0.216 1053 A C 2.054 179.663 177.584 0.041 0.000 1.181 1053 A CA 1.190 53.318 52.037 0.152 0.000 0.620 1053 A CB -0.500 18.581 19.000 0.135 0.000 0.819 1053 A HN 0.340 nan 8.150 nan 0.000 0.442 1054 L N -1.369 119.853 121.223 -0.001 0.000 2.395 1054 L HA -0.005 4.335 4.340 -0.000 0.000 0.218 1054 L C 0.165 176.998 176.870 -0.062 0.000 1.130 1054 L CA 0.497 55.313 54.840 -0.040 0.000 0.826 1054 L CB -0.224 41.739 42.059 -0.159 0.000 0.941 1054 L HN 0.371 nan 8.230 nan 0.000 0.451 1055 K N 1.352 121.721 120.400 -0.051 0.000 3.150 1055 K HA -0.185 4.134 4.320 -0.000 0.000 0.267 1055 K C -0.409 176.121 176.600 -0.117 0.000 1.028 1055 K CA 0.644 56.909 56.287 -0.037 0.000 0.753 1055 K CB -2.096 30.432 32.500 0.047 0.000 1.288 1055 K HN 0.520 nan 8.250 nan 0.000 0.473 1056 I N -4.347 116.085 120.570 -0.230 0.000 2.934 1056 I HA 0.623 4.792 4.170 -0.000 0.000 0.306 1056 I C -2.740 173.249 176.117 -0.212 0.000 1.110 1056 I CA -3.256 57.849 61.300 -0.326 0.000 1.019 1056 I CB 2.366 39.918 38.000 -0.747 0.000 1.227 1056 I HN -0.287 nan 8.210 nan 0.000 0.434 1057 P HA 0.198 nan 4.420 nan 0.000 0.269 1057 P C 1.131 178.372 177.300 -0.097 0.000 1.209 1057 P CA -0.270 62.766 63.100 -0.106 0.000 0.776 1057 P CB 0.582 32.234 31.700 -0.080 0.000 0.876 1058 I N 0.334 120.869 120.570 -0.060 0.000 2.399 1058 I HA -0.274 3.895 4.170 -0.000 0.000 0.254 1058 I C 1.584 177.695 176.117 -0.011 0.000 1.146 1058 I CA 2.114 63.395 61.300 -0.032 0.000 1.412 1058 I CB -1.070 36.920 38.000 -0.016 0.000 1.076 1058 I HN 0.239 nan 8.210 nan 0.000 0.432 1059 S N 1.126 116.816 115.700 -0.016 0.000 2.469 1059 S HA -0.098 4.371 4.470 -0.000 0.000 0.238 1059 S C 1.777 176.379 174.600 0.003 0.000 0.998 1059 S CA 0.812 59.013 58.200 0.001 0.000 0.957 1059 S CB -0.543 62.652 63.200 -0.008 0.000 0.764 1059 S HN 0.614 nan 8.310 nan 0.000 0.514 1060 K N 0.291 120.676 120.400 -0.025 0.000 2.418 1060 K HA 0.305 4.625 4.320 -0.000 0.000 0.195 1060 K C -0.010 176.614 176.600 0.041 0.000 1.035 1060 K CA 0.310 56.590 56.287 -0.011 0.000 1.003 1060 K CB -0.009 32.428 32.500 -0.104 0.000 0.793 1060 K HN 0.460 nan 8.250 nan 0.000 0.494 1061 I N 0.195 120.794 120.570 0.048 0.000 2.493 1061 I HA 0.235 4.405 4.170 -0.000 0.000 0.298 1061 I C -0.940 175.285 176.117 0.180 0.000 0.998 1061 I CA -1.202 60.151 61.300 0.089 0.000 1.137 1061 I CB 1.237 39.256 38.000 0.032 0.000 1.310 1061 I HN -0.145 nan 8.210 nan 0.000 0.445 1062 Y N 5.938 126.251 120.300 0.022 0.000 2.492 1062 Y HA 0.659 5.209 4.550 -0.001 0.000 0.346 1062 Y C -1.294 174.591 175.900 -0.025 0.000 0.997 1062 Y CA -1.045 57.057 58.100 0.004 0.000 1.025 1062 Y CB 1.676 40.146 38.460 0.017 0.000 1.263 1062 Y HN 0.331 nan 8.280 nan 0.000 0.454 1063 I N 4.303 124.485 120.570 -0.647 0.000 2.418 1063 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 1063 I C 0.318 175.860 176.117 -0.959 0.000 1.008 1063 I CA -0.293 60.618 61.300 -0.647 0.000 1.104 1063 I CB 2.097 39.724 38.000 -0.622 0.000 1.264 1063 I HN 0.711 nan 8.210 nan 0.000 0.438 1064 S N 5.152 120.501 115.700 -0.585 0.000 2.452 1064 S HA 0.171 4.641 4.470 -0.000 0.000 0.225 1064 S C 0.320 174.776 174.600 -0.240 0.000 1.057 1064 S CA 0.573 58.560 58.200 -0.354 0.000 0.949 1064 S CB 0.307 63.521 63.200 0.023 0.000 0.836 1064 S HN 0.815 nan 8.310 nan 0.000 0.518 1065 E N -1.056 119.003 120.200 -0.236 0.000 2.432 1065 E HA 0.389 4.738 4.350 -0.000 0.000 0.279 1065 E C -1.654 174.828 176.600 -0.197 0.000 1.099 1065 E CA -1.008 55.301 56.400 -0.152 0.000 0.859 1065 E CB 0.722 30.395 29.700 -0.044 0.000 1.402 1065 E HN -0.021 nan 8.360 nan 0.000 0.451 1066 T N 1.188 115.662 114.554 -0.134 0.000 2.794 1066 T HA 0.644 4.994 4.350 -0.000 0.000 0.280 1066 T C -0.777 173.861 174.700 -0.104 0.000 0.987 1066 T CA -0.428 61.575 62.100 -0.161 0.000 0.993 1066 T CB 1.080 69.861 68.868 -0.145 0.000 0.939 1066 T HN 0.595 nan 8.240 nan 0.000 0.449 1067 S N 0.229 115.870 115.700 -0.098 0.000 2.541 1067 S HA 0.423 4.893 4.470 -0.000 0.000 0.271 1067 S C 0.954 175.519 174.600 -0.058 0.000 1.133 1067 S CA -0.600 57.556 58.200 -0.073 0.000 0.876 1067 S CB 1.394 64.561 63.200 -0.057 0.000 1.105 1067 S HN 0.701 nan 8.310 nan 0.000 0.470 1068 T N -0.955 113.564 114.554 -0.058 0.000 3.085 1068 T HA -0.049 4.301 4.350 -0.000 0.000 0.263 1068 T C 1.133 175.818 174.700 -0.027 0.000 1.127 1068 T CA 1.144 63.219 62.100 -0.042 0.000 1.103 1068 T CB -0.741 68.096 68.868 -0.052 0.000 0.921 1068 T HN 0.740 nan 8.240 nan 0.000 0.510 1069 N N 1.554 120.239 118.700 -0.026 0.000 2.336 1069 N HA -0.009 4.731 4.740 -0.000 0.000 0.189 1069 N C 1.366 176.883 175.510 0.012 0.000 1.113 1069 N CA 0.897 53.943 53.050 -0.007 0.000 0.858 1069 N CB -0.330 38.152 38.487 -0.008 0.000 0.970 1069 N HN 0.641 nan 8.380 nan 0.000 0.471 1070 T N -3.138 111.419 114.554 0.005 0.000 3.056 1070 T HA 0.269 4.619 4.350 -0.000 0.000 0.241 1070 T C 0.440 175.150 174.700 0.017 0.000 1.006 1070 T CA 0.060 62.169 62.100 0.016 0.000 1.115 1070 T CB -0.093 68.773 68.868 -0.003 0.000 0.939 1070 T HN -0.102 nan 8.240 nan 0.000 0.462 1071 V N 4.611 124.532 119.914 0.011 0.000 2.419 1071 V HA 0.489 4.609 4.120 -0.000 0.000 0.287 1071 V C -2.585 173.535 176.094 0.043 0.000 1.017 1071 V CA -1.995 60.333 62.300 0.046 0.000 0.844 1071 V CB 1.781 33.645 31.823 0.068 0.000 1.011 1071 V HN 0.348 nan 8.190 nan 0.000 0.429 1072 P HA 0.370 nan 4.420 nan 0.000 0.279 1072 P C -0.146 177.185 177.300 0.052 0.000 1.252 1072 P CA -0.236 62.882 63.100 0.030 0.000 0.811 1072 P CB 0.623 32.332 31.700 0.016 0.000 1.035 1073 N N -2.039 116.678 118.700 0.027 0.000 2.747 1073 N HA -0.131 4.608 4.740 -0.000 0.000 0.249 1073 N C -0.202 175.351 175.510 0.071 0.000 1.107 1073 N CA 1.019 54.089 53.050 0.034 0.000 0.707 1073 N CB -2.430 36.077 38.487 0.033 0.000 1.054 1073 N HN 0.640 nan 8.380 nan 0.000 0.555 1074 S N -1.456 114.288 115.700 0.074 0.000 2.549 1074 S HA 0.441 4.911 4.470 -0.000 0.000 0.279 1074 S C 0.710 175.354 174.600 0.073 0.000 1.321 1074 S CA -0.587 57.685 58.200 0.119 0.000 1.054 1074 S CB 1.672 64.944 63.200 0.121 0.000 0.899 1074 S HN 0.194 nan 8.310 nan 0.000 0.497 1075 S N 4.190 119.936 115.700 0.077 0.000 2.584 1075 S HA 0.303 4.773 4.470 -0.000 0.000 0.270 1075 S C -1.952 172.691 174.600 0.073 0.000 1.346 1075 S CA -0.791 57.385 58.200 -0.039 0.000 1.018 1075 S CB -0.179 62.893 63.200 -0.213 0.000 0.899 1075 S HN 0.727 nan 8.310 nan 0.000 0.542 1076 P HA 0.038 nan 4.420 nan 0.000 0.268 1076 P C -0.680 176.774 177.300 0.256 0.000 1.208 1076 P CA -0.132 63.044 63.100 0.127 0.000 0.777 1076 P CB 0.016 31.793 31.700 0.129 0.000 0.875 1077 T N 1.599 116.256 114.554 0.171 0.000 2.848 1077 T HA 0.490 4.840 4.350 -0.000 0.000 0.283 1077 T C 0.265 175.042 174.700 0.128 0.000 0.919 1077 T CA 0.338 62.543 62.100 0.175 0.000 1.071 1077 T CB -0.597 68.313 68.868 0.070 0.000 0.912 1077 T HN 0.632 nan 8.240 nan 0.000 0.570 1078 A N 2.201 125.100 122.820 0.131 0.000 2.511 1078 A HA 0.828 5.147 4.320 -0.000 0.000 0.293 1078 A C 0.564 177.928 177.584 -0.368 0.000 1.098 1078 A CA -0.283 51.735 52.037 -0.031 0.000 0.643 1078 A CB 0.052 19.095 19.000 0.072 0.000 1.302 1078 A HN 1.523 nan 8.150 nan 0.000 0.446 1079 A N -0.835 121.708 122.820 -0.462 0.000 2.945 1079 A HA 0.044 4.363 4.320 -0.000 0.000 0.263 1079 A C 1.263 178.669 177.584 -0.295 0.000 1.293 1079 A CA 1.857 53.553 52.037 -0.567 0.000 0.944 1079 A CB -2.501 15.727 19.000 -1.287 0.000 1.093 1079 A HN 2.542 nan 8.150 nan 0.000 0.786 1080 S N -4.432 111.166 115.700 -0.171 0.000 3.270 1080 S HA -0.338 4.132 4.470 -0.000 0.000 0.293 1080 S C 1.069 175.627 174.600 -0.071 0.000 1.278 1080 S CA 1.942 60.090 58.200 -0.086 0.000 1.038 1080 S CB -2.441 60.718 63.200 -0.069 0.000 1.218 1080 S HN 2.331 nan 8.310 nan 0.000 0.659 1081 V N -2.123 117.721 119.914 -0.117 0.000 3.542 1081 V HA 0.310 4.430 4.120 -0.000 0.000 0.296 1081 V C 1.592 177.679 176.094 -0.011 0.000 1.364 1081 V CA 0.784 63.044 62.300 -0.066 0.000 1.118 1081 V CB 0.382 32.136 31.823 -0.116 0.000 0.972 1081 V HN 0.364 nan 8.190 nan 0.000 0.430 1082 S N 1.585 117.319 115.700 0.057 0.000 2.370 1082 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 1082 S C 1.969 176.664 174.600 0.159 0.000 1.033 1082 S CA 2.278 60.609 58.200 0.218 0.000 1.011 1082 S CB -0.588 62.797 63.200 0.309 0.000 0.852 1082 S HN 0.740 nan 8.310 nan 0.000 0.457 1083 T N 2.423 117.019 114.554 0.070 0.000 2.684 1083 T HA -0.133 4.216 4.350 -0.000 0.000 0.267 1083 T C 1.435 176.117 174.700 -0.030 0.000 1.036 1083 T CA 1.679 63.792 62.100 0.022 0.000 1.148 1083 T CB -0.662 68.216 68.868 0.016 0.000 0.863 1083 T HN 0.331 nan 8.240 nan 0.000 0.436 1084 D N 1.176 121.558 120.400 -0.030 0.000 2.092 1084 D HA -0.082 4.558 4.640 -0.000 0.000 0.193 1084 D C 2.139 178.311 176.300 -0.213 0.000 0.994 1084 D CA 1.199 55.150 54.000 -0.081 0.000 0.828 1084 D CB -0.407 40.413 40.800 0.032 0.000 0.963 1084 D HN 0.587 nan 8.370 nan 0.000 0.450 1085 I N -2.747 117.705 120.570 -0.196 0.000 2.429 1085 I HA -0.093 4.077 4.170 -0.000 0.000 0.247 1085 I C 1.893 177.790 176.117 -0.367 0.000 1.099 1085 I CA 0.708 61.844 61.300 -0.272 0.000 1.422 1085 I CB -0.679 37.179 38.000 -0.236 0.000 1.112 1085 I HN -0.091 nan 8.210 nan 0.000 0.430 1086 Y N 2.443 122.701 120.300 -0.070 0.000 2.263 1086 Y HA 0.062 4.612 4.550 -0.001 0.000 0.292 1086 Y C 2.874 178.684 175.900 -0.150 0.000 1.130 1086 Y CA 1.222 59.258 58.100 -0.106 0.000 1.179 1086 Y CB -0.829 37.514 38.460 -0.193 0.000 0.998 1086 Y HN 0.217 nan 8.280 nan 0.000 0.532 1087 G N -0.268 108.499 108.800 -0.055 0.000 2.476 1087 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 1087 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 1087 G C 1.500 176.325 174.900 -0.124 0.000 1.164 1087 G CA 1.288 46.338 45.100 -0.083 0.000 0.768 1087 G HN 0.291 nan 8.290 nan 0.000 0.560 1088 Q N 0.371 120.006 119.800 -0.275 0.000 2.046 1088 Q HA 0.164 4.504 4.340 -0.000 0.000 0.200 1088 Q C 2.824 178.775 176.000 -0.082 0.000 0.975 1088 Q CA 1.772 57.364 55.803 -0.351 0.000 0.836 1088 Q CB -0.613 27.540 28.738 -0.975 0.000 0.896 1088 Q HN 0.387 nan 8.270 nan 0.000 0.428 1089 A N -0.602 122.196 122.820 -0.037 0.000 1.892 1089 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 1089 A C 2.280 179.928 177.584 0.106 0.000 1.188 1089 A CA 1.881 53.967 52.037 0.080 0.000 0.631 1089 A CB -1.039 18.029 19.000 0.112 0.000 0.822 1089 A HN 0.281 nan 8.150 nan 0.000 0.447 1090 V N -1.579 118.390 119.914 0.092 0.000 2.295 1090 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 1090 V C 2.325 178.475 176.094 0.093 0.000 1.049 1090 V CA 2.106 64.459 62.300 0.089 0.000 1.024 1090 V CB -0.976 30.888 31.823 0.067 0.000 0.648 1090 V HN 0.719 nan 8.190 nan 0.000 0.447 1091 Y N 1.210 121.494 120.300 -0.028 0.000 2.128 1091 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 1091 Y C 2.636 178.535 175.900 -0.002 0.000 1.154 1091 Y CA 2.145 60.224 58.100 -0.035 0.000 1.149 1091 Y CB -0.081 38.297 38.460 -0.137 0.000 0.976 1091 Y HN 0.230 nan 8.280 nan 0.000 0.505 1092 E N 0.321 120.582 120.200 0.102 0.000 2.077 1092 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 1092 E C 2.410 179.008 176.600 -0.003 0.000 0.989 1092 E CA 1.163 57.594 56.400 0.050 0.000 0.800 1092 E CB -0.793 28.990 29.700 0.138 0.000 0.746 1092 E HN 0.595 nan 8.360 nan 0.000 0.452 1093 A N 0.601 123.439 122.820 0.030 0.000 1.933 1093 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 1093 A C 2.626 180.210 177.584 0.000 0.000 1.175 1093 A CA 1.403 53.458 52.037 0.030 0.000 0.628 1093 A CB -0.872 18.159 19.000 0.051 0.000 0.814 1093 A HN 0.348 nan 8.150 nan 0.000 0.444 1094 C N -0.810 118.467 119.300 -0.038 0.000 2.425 1094 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 1094 C C 2.892 177.831 174.990 -0.085 0.000 1.280 1094 C CA 1.093 60.084 59.018 -0.045 0.000 1.744 1094 C CB -1.029 26.666 27.740 -0.075 0.000 1.989 1094 C HN 0.593 nan 8.230 nan 0.000 0.491 1095 Q N 0.517 120.196 119.800 -0.202 0.000 2.050 1095 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 1095 Q C 2.250 178.217 176.000 -0.055 0.000 0.980 1095 Q CA 2.027 57.721 55.803 -0.181 0.000 0.840 1095 Q CB -1.245 27.337 28.738 -0.260 0.000 0.898 1095 Q HN 0.651 nan 8.270 nan 0.000 0.424 1096 T N 1.889 116.428 114.554 -0.025 0.000 2.665 1096 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 1096 T C 2.085 176.805 174.700 0.033 0.000 1.035 1096 T CA 1.396 63.504 62.100 0.013 0.000 1.151 1096 T CB -0.351 68.533 68.868 0.027 0.000 0.862 1096 T HN 0.188 nan 8.240 nan 0.000 0.438 1097 I N 0.732 121.331 120.570 0.049 0.000 2.163 1097 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 1097 I C 2.377 178.554 176.117 0.100 0.000 1.085 1097 I CA 1.272 62.625 61.300 0.088 0.000 1.347 1097 I CB -0.479 37.605 38.000 0.141 0.000 1.044 1097 I HN 0.193 nan 8.210 nan 0.000 0.408 1098 L N 0.345 121.625 121.223 0.095 0.000 2.042 1098 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 1098 L C 2.680 179.576 176.870 0.043 0.000 1.076 1098 L CA 1.301 56.196 54.840 0.091 0.000 0.749 1098 L CB -0.727 41.368 42.059 0.060 0.000 0.893 1098 L HN 0.250 nan 8.230 nan 0.000 0.432 1099 K N 0.291 120.705 120.400 0.024 0.000 2.057 1099 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 1099 K C 2.116 178.728 176.600 0.020 0.000 1.049 1099 K CA 1.353 57.645 56.287 0.009 0.000 0.931 1099 K CB -0.360 32.144 32.500 0.006 0.000 0.714 1099 K HN 0.380 nan 8.250 nan 0.000 0.440 1100 R N 0.508 121.038 120.500 0.050 0.000 2.115 1100 R HA 0.077 4.417 4.340 -0.000 0.000 0.226 1100 R C 2.409 178.808 176.300 0.165 0.000 1.100 1100 R CA 0.625 56.779 56.100 0.090 0.000 0.980 1100 R CB -0.179 30.172 30.300 0.086 0.000 0.875 1100 R HN 0.119 nan 8.270 nan 0.000 0.445 1101 L N 0.256 121.553 121.223 0.124 0.000 2.313 1101 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 1101 L C 2.236 179.139 176.870 0.054 0.000 1.119 1101 L CA 0.487 55.424 54.840 0.161 0.000 0.809 1101 L CB -0.231 41.862 42.059 0.057 0.000 0.933 1101 L HN 0.093 nan 8.230 nan 0.000 0.449 1102 E N 1.197 121.372 120.200 -0.043 0.000 2.086 1102 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 1102 E C -0.635 175.821 176.600 -0.239 0.000 1.012 1102 E CA 1.923 58.234 56.400 -0.148 0.000 0.812 1102 E CB -1.065 28.572 29.700 -0.106 0.000 0.743 1102 E HN 0.274 nan 8.360 nan 0.000 0.453 1103 P HA -0.087 nan 4.420 nan 0.000 0.218 1103 P C 0.875 177.826 177.300 -0.582 0.000 1.149 1103 P CA 1.213 64.008 63.100 -0.507 0.000 0.817 1103 P CB -0.131 31.123 31.700 -0.744 0.000 0.785 1104 F N -0.217 119.634 119.950 -0.165 0.000 2.234 1104 F HA 0.048 4.574 4.527 -0.001 0.000 0.296 1104 F C 2.399 177.994 175.800 -0.342 0.000 1.089 1104 F CA 0.907 58.818 58.000 -0.148 0.000 1.343 1104 F CB -0.685 38.279 39.000 -0.059 0.000 1.040 1104 F HN -0.226 nan 8.300 nan 0.000 0.498 1105 K N 1.066 121.129 120.400 -0.562 0.000 2.020 1105 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 1105 K C 1.969 178.310 176.600 -0.433 0.000 1.050 1105 K CA 1.677 57.338 56.287 -1.043 0.000 0.929 1105 K CB -0.135 31.790 32.500 -0.959 0.000 0.714 1105 K HN 0.156 nan 8.250 nan 0.000 0.443 1106 K N 0.350 120.575 120.400 -0.290 0.000 2.209 1106 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 1106 K C 1.916 178.461 176.600 -0.092 0.000 1.048 1106 K CA 1.340 57.529 56.287 -0.164 0.000 0.940 1106 K CB 0.039 32.444 32.500 -0.158 0.000 0.729 1106 K HN 0.107 nan 8.250 nan 0.000 0.451 1107 K N 0.078 120.429 120.400 -0.082 0.000 2.296 1107 K HA -0.040 4.280 4.320 -0.000 0.000 0.200 1107 K C 0.621 177.269 176.600 0.078 0.000 1.048 1107 K CA 0.593 56.879 56.287 -0.002 0.000 0.966 1107 K CB 0.160 32.670 32.500 0.018 0.000 0.754 1107 K HN -0.045 nan 8.250 nan 0.000 0.466 1108 N N -0.070 118.711 118.700 0.136 0.000 2.687 1108 N HA 0.119 4.859 4.740 -0.000 0.000 0.275 1108 N C -2.415 173.325 175.510 0.383 0.000 1.789 1108 N CA -1.741 51.473 53.050 0.274 0.000 0.806 1108 N CB 0.949 39.680 38.487 0.407 0.000 1.256 1108 N HN -0.170 nan 8.380 nan 0.000 0.500 1109 P HA 0.040 nan 4.420 nan 0.000 0.226 1109 P C -0.238 177.245 177.300 0.304 0.000 1.153 1109 P CA 1.013 64.243 63.100 0.217 0.000 0.777 1109 P CB 0.487 32.245 31.700 0.098 0.000 0.794 1110 D N -0.498 120.048 120.400 0.243 0.000 2.424 1110 D HA 0.179 4.819 4.640 -0.000 0.000 0.220 1110 D C 1.279 177.666 176.300 0.144 0.000 1.150 1110 D CA 0.106 54.213 54.000 0.178 0.000 0.831 1110 D CB 0.280 41.145 40.800 0.108 0.000 0.981 1110 D HN 0.104 nan 8.370 nan 0.000 0.500 1111 G N 0.357 109.290 108.800 0.222 0.000 2.537 1111 G HA2 0.436 4.396 3.960 -0.000 0.000 0.297 1111 G HA3 0.436 4.396 3.960 -0.000 0.000 0.297 1111 G C 0.108 174.746 174.900 -0.437 0.000 1.310 1111 G CA -0.336 44.750 45.100 -0.024 0.000 1.027 1111 G HN 0.146 nan 8.290 nan 0.000 0.505 1112 S N -1.476 113.804 115.700 -0.699 0.000 2.664 1112 S HA 0.238 4.708 4.470 -0.000 0.000 0.304 1112 S C 0.957 174.843 174.600 -1.191 0.000 1.099 1112 S CA -0.634 57.105 58.200 -0.768 0.000 1.003 1112 S CB 1.528 64.534 63.200 -0.324 0.000 1.092 1112 S HN 0.803 nan 8.310 nan 0.000 0.525 1113 W N 1.707 122.456 121.300 -0.918 0.000 2.290 1113 W HA -0.296 4.364 4.660 -0.000 0.000 0.318 1113 W C 1.094 177.480 176.519 -0.222 0.000 1.248 1113 W CA 2.639 59.745 57.345 -0.399 0.000 1.263 1113 W CB -0.515 28.872 29.460 -0.123 0.000 1.147 1113 W HN 0.875 nan 8.180 nan 0.000 0.494 1114 E N 0.538 120.647 120.200 -0.152 0.000 2.110 1114 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 1114 E C 1.695 178.167 176.600 -0.212 0.000 0.988 1114 E CA 1.967 58.272 56.400 -0.159 0.000 0.804 1114 E CB -0.726 28.953 29.700 -0.035 0.000 0.745 1114 E HN 0.245 nan 8.360 nan 0.000 0.458 1115 D N -0.534 119.713 120.400 -0.256 0.000 2.117 1115 D HA -0.151 4.488 4.640 -0.000 0.000 0.197 1115 D C 1.601 177.871 176.300 -0.049 0.000 0.987 1115 D CA 0.798 54.700 54.000 -0.164 0.000 0.829 1115 D CB -0.223 40.469 40.800 -0.180 0.000 0.961 1115 D HN 0.297 nan 8.370 nan 0.000 0.460 1116 W N 1.201 122.425 121.300 -0.127 0.000 2.381 1116 W HA -0.044 4.616 4.660 -0.001 0.000 0.301 1116 W C 2.369 178.692 176.519 -0.327 0.000 1.205 1116 W CA 0.005 57.260 57.345 -0.151 0.000 1.285 1116 W CB -1.308 28.083 29.460 -0.115 0.000 1.133 1116 W HN -0.140 nan 8.180 nan 0.000 0.521 1117 V N 0.684 120.441 119.914 -0.261 0.000 2.295 1117 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 1117 V C 2.280 178.249 176.094 -0.209 0.000 1.049 1117 V CA 2.219 64.308 62.300 -0.352 0.000 1.024 1117 V CB -0.887 30.637 31.823 -0.498 0.000 0.648 1117 V HN 0.043 nan 8.190 nan 0.000 0.447 1118 M N 0.776 120.289 119.600 -0.145 0.000 2.132 1118 M HA -0.031 4.448 4.480 -0.000 0.000 0.263 1118 M C 2.041 178.300 176.300 -0.068 0.000 1.065 1118 M CA 2.088 57.355 55.300 -0.055 0.000 1.122 1118 M CB -0.796 31.780 32.600 -0.040 0.000 1.365 1118 M HN 0.247 nan 8.290 nan 0.000 0.411 1119 A N -0.196 122.544 122.820 -0.134 0.000 1.908 1119 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 1119 A C 2.384 179.578 177.584 -0.650 0.000 1.181 1119 A CA 2.160 54.067 52.037 -0.216 0.000 0.627 1119 A CB -1.462 17.523 19.000 -0.026 0.000 0.818 1119 A HN 0.641 nan 8.150 nan 0.000 0.445 1120 A N -1.415 120.823 122.820 -0.971 0.000 1.902 1120 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 1120 A C 2.149 179.445 177.584 -0.479 0.000 1.181 1120 A CA 1.721 53.029 52.037 -1.216 0.000 0.623 1120 A CB -0.867 17.664 19.000 -0.781 0.000 0.818 1120 A HN 0.771 nan 8.150 nan 0.000 0.443 1121 Y N 0.645 120.736 120.300 -0.348 0.000 2.097 1121 Y HA -0.252 4.297 4.550 -0.001 0.000 0.282 1121 Y C 2.428 178.239 175.900 -0.148 0.000 1.152 1121 Y CA 2.361 60.345 58.100 -0.194 0.000 1.136 1121 Y CB -0.512 37.862 38.460 -0.143 0.000 0.975 1121 Y HN 0.427 nan 8.280 nan 0.000 0.498 1122 Q N -0.850 118.770 119.800 -0.300 0.000 2.291 1122 Q HA -0.178 4.162 4.340 -0.000 0.000 0.205 1122 Q C 0.963 176.822 176.000 -0.236 0.000 0.970 1122 Q CA 1.441 57.066 55.803 -0.296 0.000 0.876 1122 Q CB -0.134 28.551 28.738 -0.088 0.000 0.935 1122 Q HN 0.493 nan 8.270 nan 0.000 0.455 1123 D N -0.062 120.215 120.400 -0.205 0.000 2.325 1123 D HA 0.041 4.681 4.640 -0.000 0.000 0.225 1123 D C -0.563 175.686 176.300 -0.085 0.000 1.096 1123 D CA -0.064 53.896 54.000 -0.066 0.000 0.844 1123 D CB 0.136 41.022 40.800 0.143 0.000 0.925 1123 D HN 0.019 nan 8.370 nan 0.000 0.513 1124 R N -0.708 119.666 120.500 -0.210 0.000 3.267 1124 R HA -0.131 4.208 4.340 -0.000 0.000 0.254 1124 R C -0.964 175.292 176.300 -0.073 0.000 0.993 1124 R CA 0.033 56.027 56.100 -0.176 0.000 0.670 1124 R CB -2.223 27.996 30.300 -0.135 0.000 1.125 1124 R HN 0.041 nan 8.270 nan 0.000 0.434 1125 V N 0.725 120.598 119.914 -0.069 0.000 2.427 1125 V HA 0.237 4.357 4.120 -0.000 0.000 0.286 1125 V C 0.846 176.936 176.094 -0.007 0.000 1.034 1125 V CA -0.399 61.901 62.300 -0.002 0.000 0.893 1125 V CB 1.883 33.741 31.823 0.059 0.000 0.982 1125 V HN 0.378 nan 8.190 nan 0.000 0.452 1126 S N 4.420 120.129 115.700 0.015 0.000 2.531 1126 S HA 0.331 4.801 4.470 -0.000 0.000 0.279 1126 S C 0.357 174.971 174.600 0.024 0.000 1.305 1126 S CA -0.347 57.866 58.200 0.023 0.000 1.058 1126 S CB 0.167 63.382 63.200 0.026 0.000 0.899 1126 S HN 0.597 nan 8.310 nan 0.000 0.493 1127 L N 4.061 125.296 121.223 0.020 0.000 2.928 1127 L HA 0.337 4.677 4.340 -0.000 0.000 0.246 1127 L C 0.520 177.406 176.870 0.027 0.000 1.239 1127 L CA -0.190 54.655 54.840 0.008 0.000 1.035 1127 L CB 0.399 42.444 42.059 -0.024 0.000 1.360 1127 L HN 0.533 nan 8.230 nan 0.000 0.529 1128 S N -0.571 115.164 115.700 0.058 0.000 2.521 1128 S HA 0.716 5.185 4.470 -0.000 0.000 0.295 1128 S C -0.604 174.054 174.600 0.096 0.000 1.098 1128 S CA -0.287 57.993 58.200 0.134 0.000 0.999 1128 S CB 1.979 65.282 63.200 0.171 0.000 1.034 1128 S HN 0.090 nan 8.310 nan 0.000 0.483 1129 T N 1.945 116.550 114.554 0.085 0.000 2.885 1129 T HA 0.600 4.949 4.350 -0.000 0.000 0.322 1129 T C -0.526 174.203 174.700 0.048 0.000 1.387 1129 T CA -0.379 61.757 62.100 0.061 0.000 1.041 1129 T CB 1.371 70.271 68.868 0.053 0.000 1.287 1129 T HN 0.849 nan 8.240 nan 0.000 0.491 1130 T N 0.720 115.309 114.554 0.059 0.000 2.874 1130 T HA 0.791 5.140 4.350 -0.000 0.000 0.281 1130 T C 0.448 175.209 174.700 0.102 0.000 0.994 1130 T CA -0.387 61.759 62.100 0.077 0.000 1.015 1130 T CB 1.292 70.208 68.868 0.081 0.000 1.028 1130 T HN 0.949 nan 8.240 nan 0.000 0.523 1131 G N -0.026 108.862 108.800 0.147 0.000 2.667 1131 G HA2 0.630 4.590 3.960 -0.000 0.000 0.298 1131 G HA3 0.630 4.590 3.960 -0.000 0.000 0.298 1131 G C -2.120 172.952 174.900 0.288 0.000 1.377 1131 G CA -0.844 44.363 45.100 0.177 0.000 0.964 1131 G HN 0.751 nan 8.290 nan 0.000 0.493 1132 F N 1.279 121.291 119.950 0.103 0.000 2.615 1132 F HA 0.696 5.222 4.527 -0.000 0.000 0.312 1132 F C -1.978 173.918 175.800 0.160 0.000 1.119 1132 F CA -1.104 56.961 58.000 0.108 0.000 0.979 1132 F CB 2.232 41.271 39.000 0.064 0.000 1.266 1132 F HN 0.584 nan 8.300 nan 0.000 0.444 1133 Y N 5.698 125.616 120.300 -0.637 0.000 2.477 1133 Y HA 0.645 5.195 4.550 -0.001 0.000 0.347 1133 Y C -1.475 174.034 175.900 -0.651 0.000 0.981 1133 Y CA -1.063 56.770 58.100 -0.445 0.000 1.033 1133 Y CB 1.456 39.739 38.460 -0.295 0.000 1.245 1133 Y HN 0.732 nan 8.280 nan 0.000 0.455 1134 R N 4.067 123.935 120.500 -1.052 0.000 2.483 1134 R HA 0.424 4.764 4.340 -0.000 0.000 0.303 1134 R C -1.333 174.330 176.300 -1.062 0.000 0.987 1134 R CA -0.490 55.139 56.100 -0.784 0.000 0.881 1134 R CB 1.266 31.406 30.300 -0.266 0.000 1.177 1134 R HN 0.812 nan 8.270 nan 0.000 0.451 1135 T N 7.087 121.124 114.554 -0.862 0.000 2.867 1135 T HA 0.137 4.487 4.350 -0.000 0.000 0.297 1135 T C -2.061 172.401 174.700 -0.397 0.000 0.989 1135 T CA -0.583 61.124 62.100 -0.654 0.000 1.159 1135 T CB 0.649 69.261 68.868 -0.427 0.000 0.928 1135 T HN 0.483 nan 8.240 nan 0.000 0.538 1136 P HA 0.217 nan 4.420 nan 0.000 0.276 1136 P C -0.109 177.168 177.300 -0.038 0.000 1.244 1136 P CA -0.526 62.506 63.100 -0.113 0.000 0.801 1136 P CB 0.438 32.129 31.700 -0.015 0.000 1.006 1137 N N -0.594 118.099 118.700 -0.013 0.000 2.740 1137 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 1137 N C -0.753 174.762 175.510 0.010 0.000 1.062 1137 N CA 0.802 53.862 53.050 0.016 0.000 0.704 1137 N CB -1.840 36.679 38.487 0.054 0.000 0.968 1137 N HN 0.470 nan 8.380 nan 0.000 0.547 1138 L N -0.345 120.862 121.223 -0.026 0.000 2.329 1138 L HA 0.711 5.051 4.340 -0.000 0.000 0.279 1138 L C 0.957 177.807 176.870 -0.032 0.000 1.014 1138 L CA -0.508 54.305 54.840 -0.046 0.000 0.814 1138 L CB 2.002 44.013 42.059 -0.081 0.000 1.257 1138 L HN 0.257 nan 8.230 nan 0.000 0.424 1139 G N 2.019 110.802 108.800 -0.028 0.000 3.705 1139 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.237 1139 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.237 1139 G C -1.388 173.523 174.900 0.017 0.000 3.926 1139 G CA -0.626 44.474 45.100 0.000 0.000 0.492 1139 G HN 0.398 nan 8.290 nan 0.000 0.257 1140 Y N 1.921 122.153 120.300 -0.113 0.000 2.346 1140 Y HA 0.630 5.180 4.550 -0.001 0.000 0.330 1140 Y C 0.451 176.328 175.900 -0.039 0.000 1.178 1140 Y CA 0.179 58.209 58.100 -0.118 0.000 1.331 1140 Y CB 1.618 39.931 38.460 -0.245 0.000 1.253 1140 Y HN 0.372 nan 8.280 nan 0.000 0.529 1141 S N 5.640 120.848 115.700 -0.819 0.000 2.478 1141 S HA 0.319 4.788 4.470 -0.000 0.000 0.312 1141 S C 0.194 174.302 174.600 -0.819 0.000 1.094 1141 S CA -0.694 57.186 58.200 -0.534 0.000 1.081 1141 S CB 0.127 63.172 63.200 -0.257 0.000 1.007 1141 S HN 0.729 nan 8.310 nan 0.000 0.475 1142 F N 2.524 122.315 119.950 -0.266 0.000 2.407 1142 F HA 0.069 4.596 4.527 -0.001 0.000 0.299 1142 F C 1.580 177.353 175.800 -0.046 0.000 1.097 1142 F CA 0.674 58.654 58.000 -0.034 0.000 1.422 1142 F CB 0.176 39.242 39.000 0.111 0.000 1.067 1142 F HN 0.710 nan 8.300 nan 0.000 0.539 1143 E N -0.114 120.131 120.200 0.075 0.000 2.490 1143 E HA 0.356 4.705 4.350 -0.000 0.000 0.232 1143 E C 0.117 176.697 176.600 -0.032 0.000 1.091 1143 E CA 0.358 56.781 56.400 0.038 0.000 1.050 1143 E CB -0.096 29.633 29.700 0.049 0.000 1.342 1143 E HN 0.304 nan 8.360 nan 0.000 0.454 1144 T N -1.672 112.845 114.554 -0.061 0.000 5.061 1144 T HA -0.136 4.213 4.350 -0.000 0.000 0.292 1144 T C 0.505 175.150 174.700 -0.092 0.000 1.334 1144 T CA -0.247 61.809 62.100 -0.073 0.000 0.920 1144 T CB -1.323 67.488 68.868 -0.095 0.000 0.728 1144 T HN 0.339 nan 8.240 nan 0.000 0.509 1145 N N 1.834 120.440 118.700 -0.157 0.000 2.699 1145 N HA -0.157 4.582 4.740 -0.000 0.000 0.256 1145 N C -0.282 175.202 175.510 -0.043 0.000 0.993 1145 N CA 1.318 54.317 53.050 -0.084 0.000 0.759 1145 N CB -1.222 37.325 38.487 0.100 0.000 0.906 1145 N HN 1.382 nan 8.380 nan 0.000 0.541 1146 S N -1.282 114.277 115.700 -0.235 0.000 2.596 1146 S HA 0.867 5.337 4.470 -0.000 0.000 0.270 1146 S C 0.044 174.585 174.600 -0.098 0.000 1.155 1146 S CA 0.027 58.184 58.200 -0.071 0.000 0.827 1146 S CB 1.783 64.948 63.200 -0.058 0.000 1.130 1146 S HN 1.483 nan 8.310 nan 0.000 0.467 1147 G N 1.496 110.311 108.800 0.024 0.000 2.785 1147 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 1147 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 1147 G C -1.145 173.825 174.900 0.117 0.000 1.155 1147 G CA -1.037 44.084 45.100 0.035 0.000 0.760 1147 G HN 0.904 nan 8.290 nan 0.000 0.624 1148 N N 0.578 119.310 118.700 0.053 0.000 2.447 1148 N HA 0.320 5.060 4.740 -0.000 0.000 0.263 1148 N C 1.345 176.773 175.510 -0.136 0.000 1.226 1148 N CA 0.665 53.722 53.050 0.012 0.000 0.906 1148 N CB 1.496 39.992 38.487 0.015 0.000 1.060 1148 N HN 1.042 nan 8.380 nan 0.000 0.468 1149 A N 3.013 125.599 122.820 -0.389 0.000 1.975 1149 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 1149 A C 0.185 177.025 177.584 -1.240 0.000 1.170 1149 A CA 0.775 52.165 52.037 -1.078 0.000 0.656 1149 A CB 0.132 17.755 19.000 -2.295 0.000 0.821 1149 A HN 0.570 nan 8.150 nan 0.000 0.449 1150 F N -3.768 115.948 119.950 -0.390 0.000 2.603 1150 F HA 0.478 5.005 4.527 -0.001 0.000 0.317 1150 F C 1.041 176.684 175.800 -0.262 0.000 1.066 1150 F CA -0.761 56.964 58.000 -0.457 0.000 0.941 1150 F CB 1.156 39.645 39.000 -0.853 0.000 1.291 1150 F HN 0.092 nan 8.300 nan 0.000 0.472 1151 H N 0.497 119.480 119.070 -0.146 0.000 2.372 1151 H HA 0.079 4.635 4.556 -0.000 0.000 0.301 1151 H C -0.854 174.523 175.328 0.082 0.000 1.065 1151 H CA 1.739 57.774 56.048 -0.022 0.000 1.364 1151 H CB 0.220 30.015 29.762 0.056 0.000 1.406 1151 H HN 0.525 nan 8.280 nan 0.000 0.521 1152 Y N -4.284 115.909 120.300 -0.178 0.000 2.871 1152 Y HA 0.441 4.990 4.550 -0.001 0.000 0.331 1152 Y C -1.825 173.820 175.900 -0.425 0.000 1.378 1152 Y CA -1.992 55.995 58.100 -0.188 0.000 1.079 1152 Y CB 0.557 38.949 38.460 -0.115 0.000 1.441 1152 Y HN -0.208 nan 8.280 nan 0.000 0.446 1153 F N 0.245 120.187 119.950 -0.014 0.000 2.532 1153 F HA 0.704 5.231 4.527 -0.000 0.000 0.321 1153 F C -0.078 175.485 175.800 -0.395 0.000 1.089 1153 F CA -0.876 56.914 58.000 -0.350 0.000 0.926 1153 F CB 2.559 41.257 39.000 -0.502 0.000 1.168 1153 F HN 0.488 nan 8.300 nan 0.000 0.459 1154 T N 1.896 116.339 114.554 -0.186 0.000 2.867 1154 T HA 0.547 4.896 4.350 -0.000 0.000 0.282 1154 T C -1.202 173.342 174.700 -0.260 0.000 1.000 1154 T CA -0.404 61.633 62.100 -0.105 0.000 1.042 1154 T CB 0.554 69.458 68.868 0.060 0.000 0.973 1154 T HN 0.326 nan 8.240 nan 0.000 0.465 1155 Y N -0.023 120.369 120.300 0.153 0.000 2.536 1155 Y HA 0.721 5.271 4.550 -0.000 0.000 0.347 1155 Y C 0.616 176.566 175.900 0.084 0.000 1.000 1155 Y CA -0.936 57.221 58.100 0.095 0.000 1.051 1155 Y CB 2.666 41.115 38.460 -0.018 0.000 1.259 1155 Y HN 0.916 nan 8.280 nan 0.000 0.468 1156 G N 0.098 109.058 108.800 0.266 0.000 2.601 1156 G HA2 0.584 4.544 3.960 -0.000 0.000 0.291 1156 G HA3 0.584 4.544 3.960 -0.000 0.000 0.291 1156 G C -2.402 172.617 174.900 0.198 0.000 1.456 1156 G CA -0.715 44.500 45.100 0.191 0.000 0.804 1156 G HN 0.476 nan 8.290 nan 0.000 0.499 1157 V N -0.336 119.673 119.914 0.159 0.000 2.841 1157 V HA 0.886 5.005 4.120 -0.000 0.000 0.310 1157 V C -0.027 176.119 176.094 0.086 0.000 1.090 1157 V CA -0.350 62.047 62.300 0.162 0.000 0.930 1157 V CB 1.692 33.624 31.823 0.181 0.000 1.014 1157 V HN 1.662 nan 8.190 nan 0.000 0.425 1158 A N 2.331 125.200 122.820 0.081 0.000 2.393 1158 A HA 0.783 5.103 4.320 -0.000 0.000 0.306 1158 A C -0.960 176.629 177.584 0.008 0.000 1.050 1158 A CA -0.468 51.599 52.037 0.050 0.000 0.724 1158 A CB 1.715 20.805 19.000 0.150 0.000 1.248 1158 A HN 1.083 nan 8.150 nan 0.000 0.424 1159 C N 1.935 121.220 119.300 -0.026 0.000 2.345 1159 C HA 0.853 5.313 4.460 -0.000 0.000 0.323 1159 C C -0.061 174.944 174.990 0.026 0.000 1.276 1159 C CA -0.053 58.952 59.018 -0.020 0.000 1.543 1159 C CB 0.100 27.801 27.740 -0.065 0.000 2.211 1159 C HN 0.849 nan 8.230 nan 0.000 0.493 1160 S N 3.487 119.225 115.700 0.064 0.000 2.542 1160 S HA 0.616 5.085 4.470 -0.000 0.000 0.293 1160 S C -1.295 173.330 174.600 0.042 0.000 1.089 1160 S CA -0.478 57.760 58.200 0.064 0.000 0.961 1160 S CB 1.748 65.024 63.200 0.126 0.000 1.062 1160 S HN 0.878 nan 8.310 nan 0.000 0.483 1161 E N 1.519 121.726 120.200 0.010 0.000 2.248 1161 E HA 0.658 5.008 4.350 -0.000 0.000 0.267 1161 E C -1.271 175.315 176.600 -0.022 0.000 0.877 1161 E CA -0.813 55.574 56.400 -0.021 0.000 0.759 1161 E CB 1.474 31.141 29.700 -0.056 0.000 1.182 1161 E HN 0.496 nan 8.360 nan 0.000 0.418 1162 V N 0.594 120.491 119.914 -0.029 0.000 3.040 1162 V HA 0.664 4.783 4.120 -0.000 0.000 0.312 1162 V C -0.930 175.127 176.094 -0.061 0.000 1.115 1162 V CA -0.837 61.460 62.300 -0.006 0.000 0.998 1162 V CB 1.841 33.697 31.823 0.056 0.000 1.042 1162 V HN 0.828 nan 8.190 nan 0.000 0.433 1163 E N 2.355 122.529 120.200 -0.043 0.000 2.199 1163 E HA 0.641 4.991 4.350 -0.000 0.000 0.265 1163 E C -0.853 175.771 176.600 0.041 0.000 0.882 1163 E CA -0.929 55.429 56.400 -0.070 0.000 0.759 1163 E CB 1.868 31.488 29.700 -0.133 0.000 1.148 1163 E HN 0.934 nan 8.360 nan 0.000 0.412 1164 I N 0.917 121.526 120.570 0.066 0.000 2.437 1164 I HA 0.491 4.661 4.170 -0.000 0.000 0.298 1164 I C -0.351 175.838 176.117 0.120 0.000 0.984 1164 I CA -0.797 60.564 61.300 0.101 0.000 1.214 1164 I CB 1.644 39.687 38.000 0.072 0.000 1.365 1164 I HN 0.368 nan 8.210 nan 0.000 0.469 1165 D N 5.608 126.073 120.400 0.107 0.000 2.411 1165 D HA 0.216 4.855 4.640 -0.000 0.000 0.225 1165 D C 0.648 177.015 176.300 0.112 0.000 1.156 1165 D CA -0.369 53.698 54.000 0.110 0.000 0.874 1165 D CB 1.383 42.222 40.800 0.065 0.000 1.034 1165 D HN 0.779 nan 8.370 nan 0.000 0.502 1166 C N 3.322 122.726 119.300 0.174 0.000 2.422 1166 C HA -0.041 4.419 4.460 -0.000 0.000 0.286 1166 C C 2.479 177.552 174.990 0.140 0.000 1.412 1166 C CA 0.095 59.227 59.018 0.189 0.000 1.786 1166 C CB -0.866 27.056 27.740 0.303 0.000 1.835 1166 C HN 0.659 nan 8.230 nan 0.000 0.533 1167 L N 0.578 121.839 121.223 0.063 0.000 2.477 1167 L HA 0.024 4.364 4.340 -0.000 0.000 0.220 1167 L C 2.488 179.293 176.870 -0.109 0.000 1.106 1167 L CA 1.522 56.297 54.840 -0.108 0.000 0.851 1167 L CB -0.258 41.628 42.059 -0.288 0.000 0.994 1167 L HN 0.523 nan 8.230 nan 0.000 0.462 1168 T N -6.114 108.412 114.554 -0.046 0.000 2.954 1168 T HA 0.272 4.621 4.350 -0.000 0.000 0.252 1168 T C 1.470 176.163 174.700 -0.012 0.000 0.983 1168 T CA 0.598 62.671 62.100 -0.045 0.000 0.941 1168 T CB 1.029 69.872 68.868 -0.042 0.000 1.141 1168 T HN 0.241 nan 8.240 nan 0.000 0.500 1169 G N 1.397 110.206 108.800 0.015 0.000 2.176 1169 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.253 1169 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.253 1169 G C -0.161 174.773 174.900 0.057 0.000 0.979 1169 G CA 0.184 45.301 45.100 0.029 0.000 0.641 1169 G HN 0.714 nan 8.290 nan 0.000 0.530 1170 D N 1.261 121.691 120.400 0.049 0.000 2.368 1170 D HA 0.480 5.119 4.640 -0.000 0.000 0.240 1170 D C 0.749 177.124 176.300 0.125 0.000 1.169 1170 D CA 0.474 54.512 54.000 0.063 0.000 0.906 1170 D CB 0.340 41.141 40.800 0.001 0.000 1.187 1170 D HN 0.625 nan 8.370 nan 0.000 0.435 1171 H N -1.002 118.052 119.070 -0.026 0.000 2.985 1171 H HA 0.546 5.101 4.556 -0.001 0.000 0.360 1171 H C -1.137 174.170 175.328 -0.036 0.000 1.221 1171 H CA -0.908 55.123 56.048 -0.029 0.000 1.121 1171 H CB 0.876 30.615 29.762 -0.038 0.000 1.854 1171 H HN 0.182 nan 8.280 nan 0.000 0.551 1172 K N 1.616 121.947 120.400 -0.116 0.000 2.345 1172 K HA 0.288 4.608 4.320 -0.000 0.000 0.255 1172 K C -0.778 175.780 176.600 -0.070 0.000 0.934 1172 K CA -0.973 55.216 56.287 -0.163 0.000 0.801 1172 K CB 1.609 34.057 32.500 -0.087 0.000 1.137 1172 K HN 0.452 nan 8.250 nan 0.000 0.424 1173 N N 3.765 122.408 118.700 -0.096 0.000 2.415 1173 N HA 0.116 4.856 4.740 -0.000 0.000 0.246 1173 N C 0.547 176.024 175.510 -0.054 0.000 1.078 1173 N CA 0.035 53.069 53.050 -0.026 0.000 0.942 1173 N CB 0.870 39.336 38.487 -0.035 0.000 1.140 1173 N HN 0.480 nan 8.380 nan 0.000 0.501 1174 L N 1.345 122.540 121.223 -0.046 0.000 2.145 1174 L HA 0.176 4.516 4.340 -0.000 0.000 0.201 1174 L C 0.993 177.835 176.870 -0.047 0.000 1.075 1174 L CA 0.689 55.495 54.840 -0.057 0.000 0.773 1174 L CB 0.152 42.165 42.059 -0.078 0.000 0.936 1174 L HN 0.409 nan 8.230 nan 0.000 0.451 1175 R N -1.006 119.468 120.500 -0.044 0.000 2.594 1175 R HA 0.378 4.718 4.340 -0.000 0.000 0.265 1175 R C -1.697 174.581 176.300 -0.036 0.000 1.070 1175 R CA -0.301 55.779 56.100 -0.035 0.000 0.909 1175 R CB 2.033 32.316 30.300 -0.028 0.000 1.243 1175 R HN -0.224 nan 8.270 nan 0.000 0.455 1176 T N 2.602 117.130 114.554 -0.043 0.000 2.921 1176 T HA 0.357 4.707 4.350 -0.000 0.000 0.297 1176 T C -1.695 172.988 174.700 -0.027 0.000 1.013 1176 T CA -0.646 61.414 62.100 -0.066 0.000 0.990 1176 T CB 1.603 70.328 68.868 -0.239 0.000 1.023 1176 T HN 0.540 nan 8.240 nan 0.000 0.447 1177 D N 1.964 122.335 120.400 -0.048 0.000 2.375 1177 D HA 0.639 5.279 4.640 -0.000 0.000 0.247 1177 D C -0.581 175.675 176.300 -0.073 0.000 1.061 1177 D CA -0.332 53.638 54.000 -0.051 0.000 0.834 1177 D CB 1.527 42.296 40.800 -0.052 0.000 1.247 1177 D HN 0.352 nan 8.370 nan 0.000 0.489 1178 I N 1.602 122.125 120.570 -0.078 0.000 2.545 1178 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 1178 I C -0.903 175.191 176.117 -0.039 0.000 1.040 1178 I CA -1.083 60.182 61.300 -0.058 0.000 1.068 1178 I CB 2.126 40.078 38.000 -0.080 0.000 1.251 1178 I HN 0.021 nan 8.210 nan 0.000 0.424 1179 V N 6.453 126.361 119.914 -0.009 0.000 2.444 1179 V HA 0.511 4.631 4.120 -0.000 0.000 0.294 1179 V C -0.198 175.921 176.094 0.041 0.000 1.022 1179 V CA -0.477 61.826 62.300 0.004 0.000 0.850 1179 V CB 1.723 33.545 31.823 -0.002 0.000 0.992 1179 V HN 0.582 nan 8.190 nan 0.000 0.426 1180 M N 3.464 123.088 119.600 0.041 0.000 2.393 1180 M HA 0.436 4.915 4.480 -0.000 0.000 0.316 1180 M C -0.875 175.469 176.300 0.072 0.000 1.087 1180 M CA -0.613 54.728 55.300 0.070 0.000 0.937 1180 M CB 1.851 34.485 32.600 0.057 0.000 1.668 1180 M HN 0.721 nan 8.290 nan 0.000 0.438 1181 D N 3.014 123.481 120.400 0.111 0.000 2.380 1181 D HA 0.331 4.971 4.640 -0.000 0.000 0.230 1181 D C 0.347 176.712 176.300 0.108 0.000 1.154 1181 D CA -0.307 53.762 54.000 0.115 0.000 0.859 1181 D CB 0.711 41.617 40.800 0.176 0.000 1.045 1181 D HN 0.421 nan 8.370 nan 0.000 0.495 1182 V N 2.002 121.958 119.914 0.071 0.000 3.006 1182 V HA 0.610 4.730 4.120 -0.000 0.000 0.357 1182 V C 1.119 177.235 176.094 0.036 0.000 1.377 1182 V CA 0.260 62.596 62.300 0.061 0.000 1.198 1182 V CB -0.346 31.504 31.823 0.045 0.000 1.216 1182 V HN 0.703 nan 8.190 nan 0.000 0.520 1183 G N 1.481 110.300 108.800 0.031 0.000 2.564 1183 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.273 1183 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.273 1183 G C 0.014 174.913 174.900 -0.002 0.000 1.242 1183 G CA 0.038 45.136 45.100 -0.003 0.000 0.951 1183 G HN 1.024 nan 8.290 nan 0.000 0.564 1184 S N 0.327 116.020 115.700 -0.012 0.000 2.399 1184 S HA 0.541 5.010 4.470 -0.000 0.000 0.301 1184 S C 0.483 175.083 174.600 -0.000 0.000 1.093 1184 S CA 0.589 58.786 58.200 -0.005 0.000 1.077 1184 S CB 1.285 64.482 63.200 -0.005 0.000 0.980 1184 S HN 1.193 nan 8.310 nan 0.000 0.494 1185 S N 3.358 119.058 115.700 0.000 0.000 2.537 1185 S HA 0.160 4.630 4.470 -0.000 0.000 0.286 1185 S C 1.354 175.954 174.600 0.000 0.000 1.299 1185 S CA -0.599 57.603 58.200 0.003 0.000 1.067 1185 S CB 0.046 63.246 63.200 0.001 0.000 0.864 1185 S HN 0.661 nan 8.310 nan 0.000 0.494 1186 L N 3.450 124.678 121.223 0.009 0.000 2.141 1186 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 1186 L C 1.109 177.973 176.870 -0.010 0.000 1.094 1186 L CA 0.672 55.515 54.840 0.005 0.000 0.763 1186 L CB -0.221 41.853 42.059 0.025 0.000 0.908 1186 L HN 0.621 nan 8.230 nan 0.000 0.437 1187 N N -1.161 117.537 118.700 -0.005 0.000 2.629 1187 N HA 0.142 4.882 4.740 -0.000 0.000 0.277 1187 N C -2.330 173.178 175.510 -0.003 0.000 1.188 1187 N CA -1.243 51.803 53.050 -0.007 0.000 0.835 1187 N CB 1.630 40.113 38.487 -0.006 0.000 1.420 1187 N HN -0.281 nan 8.380 nan 0.000 0.542 1188 P HA -0.020 nan 4.420 nan 0.000 0.220 1188 P C 1.041 178.336 177.300 -0.009 0.000 1.148 1188 P CA 0.920 64.014 63.100 -0.009 0.000 0.803 1188 P CB 0.373 32.064 31.700 -0.014 0.000 0.782 1189 A N 0.032 122.849 122.820 -0.005 0.000 1.873 1189 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 1189 A C 2.103 179.693 177.584 0.010 0.000 1.186 1189 A CA 1.456 53.493 52.037 0.000 0.000 0.616 1189 A CB -1.452 17.553 19.000 0.009 0.000 0.823 1189 A HN 0.002 nan 8.150 nan 0.000 0.442 1190 I N 0.817 121.398 120.570 0.019 0.000 2.179 1190 I HA -0.195 3.974 4.170 -0.000 0.000 0.242 1190 I C 1.809 177.941 176.117 0.025 0.000 1.088 1190 I CA 1.570 62.889 61.300 0.031 0.000 1.357 1190 I CB -1.667 36.348 38.000 0.025 0.000 1.051 1190 I HN 0.267 nan 8.210 nan 0.000 0.409 1191 D N 0.693 121.101 120.400 0.014 0.000 2.117 1191 D HA -0.115 4.524 4.640 -0.000 0.000 0.197 1191 D C 2.382 178.684 176.300 0.004 0.000 0.987 1191 D CA 1.066 55.074 54.000 0.013 0.000 0.829 1191 D CB -0.206 40.601 40.800 0.011 0.000 0.961 1191 D HN 0.288 nan 8.370 nan 0.000 0.460 1192 I N 0.808 121.370 120.570 -0.014 0.000 2.286 1192 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 1192 I C 2.445 178.537 176.117 -0.041 0.000 1.115 1192 I CA 1.283 62.557 61.300 -0.042 0.000 1.392 1192 I CB -0.283 37.677 38.000 -0.066 0.000 1.065 1192 I HN 0.030 nan 8.210 nan 0.000 0.418 1193 G N -0.288 108.504 108.800 -0.013 0.000 2.422 1193 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 1193 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 1193 G C 1.577 176.502 174.900 0.041 0.000 1.146 1193 G CA 0.356 45.461 45.100 0.009 0.000 0.769 1193 G HN 0.277 nan 8.290 nan 0.000 0.547 1194 Q N 0.157 119.985 119.800 0.048 0.000 2.079 1194 Q HA -0.032 4.307 4.340 -0.000 0.000 0.200 1194 Q C 2.997 179.043 176.000 0.076 0.000 0.974 1194 Q CA 0.935 56.781 55.803 0.071 0.000 0.840 1194 Q CB -0.652 28.120 28.738 0.057 0.000 0.898 1194 Q HN 0.415 nan 8.270 nan 0.000 0.430 1195 V N 1.512 121.457 119.914 0.051 0.000 2.261 1195 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 1195 V C 2.165 178.332 176.094 0.122 0.000 1.047 1195 V CA 2.000 64.341 62.300 0.068 0.000 1.015 1195 V CB -0.554 31.281 31.823 0.021 0.000 0.642 1195 V HN 0.387 nan 8.190 nan 0.000 0.446 1196 E N 0.277 120.505 120.200 0.047 0.000 2.077 1196 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 1196 E C 2.329 179.080 176.600 0.252 0.000 0.989 1196 E CA 1.303 57.765 56.400 0.103 0.000 0.800 1196 E CB -0.549 29.075 29.700 -0.127 0.000 0.746 1196 E HN 0.651 nan 8.360 nan 0.000 0.452 1197 G N 1.232 110.126 108.800 0.157 0.000 2.421 1197 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 1197 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 1197 G C 1.707 176.696 174.900 0.149 0.000 1.171 1197 G CA 0.988 46.178 45.100 0.149 0.000 0.775 1197 G HN 0.357 nan 8.290 nan 0.000 0.543 1198 A N 0.283 123.200 122.820 0.161 0.000 1.898 1198 A HA 0.083 4.402 4.320 -0.000 0.000 0.216 1198 A C 2.200 179.869 177.584 0.141 0.000 1.181 1198 A CA 1.582 53.698 52.037 0.132 0.000 0.620 1198 A CB -0.578 18.489 19.000 0.112 0.000 0.819 1198 A HN 0.424 nan 8.150 nan 0.000 0.442 1199 F N 0.749 120.756 119.950 0.095 0.000 2.134 1199 F HA -0.166 4.361 4.527 -0.001 0.000 0.299 1199 F C 2.152 177.991 175.800 0.065 0.000 1.097 1199 F CA 2.018 60.083 58.000 0.108 0.000 1.264 1199 F CB -0.158 38.963 39.000 0.202 0.000 1.001 1199 F HN 0.030 nan 8.300 nan 0.000 0.479 1200 V N 0.395 120.440 119.914 0.217 0.000 2.427 1200 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 1200 V C 2.277 178.302 176.094 -0.115 0.000 1.051 1200 V CA 2.109 64.430 62.300 0.035 0.000 1.048 1200 V CB -0.799 31.095 31.823 0.118 0.000 0.666 1200 V HN 0.411 nan 8.190 nan 0.000 0.456 1201 Q N -0.001 119.743 119.800 -0.095 0.000 2.124 1201 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 1201 Q C 2.397 178.251 176.000 -0.245 0.000 0.977 1201 Q CA 1.626 57.339 55.803 -0.150 0.000 0.850 1201 Q CB -0.481 28.200 28.738 -0.095 0.000 0.901 1201 Q HN 0.730 nan 8.270 nan 0.000 0.429 1202 G N 1.429 110.082 108.800 -0.245 0.000 2.421 1202 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 1202 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 1202 G C 1.431 176.164 174.900 -0.279 0.000 1.171 1202 G CA 0.925 45.851 45.100 -0.289 0.000 0.775 1202 G HN 0.344 nan 8.290 nan 0.000 0.543 1203 L N 1.845 122.844 121.223 -0.373 0.000 2.042 1203 L HA 0.104 4.444 4.340 -0.000 0.000 0.210 1203 L C 2.517 179.269 176.870 -0.196 0.000 1.076 1203 L CA 2.560 57.230 54.840 -0.284 0.000 0.749 1203 L CB -1.348 40.486 42.059 -0.375 0.000 0.893 1203 L HN 0.128 nan 8.230 nan 0.000 0.432 1204 G N 0.071 108.729 108.800 -0.237 0.000 2.459 1204 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 1204 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 1204 G C 1.603 176.319 174.900 -0.308 0.000 1.183 1204 G CA 1.089 46.041 45.100 -0.247 0.000 0.776 1204 G HN 0.501 nan 8.290 nan 0.000 0.552 1205 L N -0.225 120.729 121.223 -0.449 0.000 2.012 1205 L HA 0.058 4.398 4.340 -0.000 0.000 0.210 1205 L C 2.421 178.903 176.870 -0.646 0.000 1.073 1205 L CA 1.778 56.224 54.840 -0.658 0.000 0.748 1205 L CB -0.622 40.815 42.059 -1.036 0.000 0.891 1205 L HN 0.262 nan 8.230 nan 0.000 0.431 1206 F N -1.363 118.411 119.950 -0.292 0.000 2.743 1206 F HA 0.046 4.572 4.527 -0.000 0.000 0.297 1206 F C 1.927 177.682 175.800 -0.075 0.000 1.131 1206 F CA 0.739 58.571 58.000 -0.280 0.000 1.426 1206 F CB -0.248 38.566 39.000 -0.309 0.000 1.116 1206 F HN 0.311 nan 8.300 nan 0.000 0.583 1207 T N -4.842 109.731 114.554 0.032 0.000 2.993 1207 T HA 0.227 4.576 4.350 -0.000 0.000 0.260 1207 T C 0.978 175.672 174.700 -0.010 0.000 0.939 1207 T CA 0.156 62.273 62.100 0.028 0.000 0.886 1207 T CB 0.110 68.993 68.868 0.025 0.000 1.209 1207 T HN 0.051 nan 8.240 nan 0.000 0.518 1208 L N 0.303 121.473 121.223 -0.088 0.000 2.746 1208 L HA 0.535 4.874 4.340 -0.000 0.000 0.230 1208 L C 0.164 176.897 176.870 -0.228 0.000 1.034 1208 L CA 0.393 55.153 54.840 -0.134 0.000 0.922 1208 L CB 0.302 42.259 42.059 -0.170 0.000 1.496 1208 L HN 0.199 nan 8.230 nan 0.000 0.498 1209 E N 1.413 121.437 120.200 -0.293 0.000 2.194 1209 E HA 0.285 4.635 4.350 -0.000 0.000 0.284 1209 E C -0.360 176.127 176.600 -0.188 0.000 1.035 1209 E CA 0.048 56.174 56.400 -0.456 0.000 0.836 1209 E CB 0.901 30.331 29.700 -0.450 0.000 1.070 1209 E HN 0.065 nan 8.360 nan 0.000 0.401 1210 E N 4.290 124.425 120.200 -0.108 0.000 2.260 1210 E HA 0.234 4.584 4.350 -0.000 0.000 0.266 1210 E C -1.288 175.476 176.600 0.272 0.000 0.887 1210 E CA -0.527 55.935 56.400 0.104 0.000 0.777 1210 E CB 1.027 30.764 29.700 0.062 0.000 1.205 1210 E HN 0.408 nan 8.360 nan 0.000 0.414 1211 L N 3.828 125.228 121.223 0.295 0.000 2.292 1211 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 1211 L C -0.282 176.695 176.870 0.178 0.000 1.065 1211 L CA -0.614 54.341 54.840 0.192 0.000 0.806 1211 L CB 0.880 43.019 42.059 0.133 0.000 1.175 1211 L HN 0.536 nan 8.230 nan 0.000 0.431 1212 H N 2.336 121.354 119.070 -0.087 0.000 2.589 1212 H HA 0.506 5.062 4.556 -0.000 0.000 0.351 1212 H C -1.587 173.648 175.328 -0.155 0.000 1.074 1212 H CA -0.486 55.578 56.048 0.026 0.000 1.203 1212 H CB 1.106 30.936 29.762 0.112 0.000 1.558 1212 H HN 0.294 nan 8.280 nan 0.000 0.522 1213 Y N 1.732 121.823 120.300 -0.347 0.000 2.468 1213 Y HA 0.326 4.875 4.550 -0.001 0.000 0.342 1213 Y C 0.610 176.272 175.900 -0.398 0.000 1.021 1213 Y CA -0.728 57.184 58.100 -0.313 0.000 1.079 1213 Y CB 1.779 40.141 38.460 -0.165 0.000 1.226 1213 Y HN 0.743 nan 8.280 nan 0.000 0.460 1214 S N 1.458 116.982 115.700 -0.294 0.000 2.589 1214 S HA 0.150 4.620 4.470 -0.000 0.000 0.265 1214 S C -2.029 172.565 174.600 -0.009 0.000 1.342 1214 S CA -0.911 57.236 58.200 -0.088 0.000 1.005 1214 S CB 1.009 64.121 63.200 -0.147 0.000 0.909 1214 S HN 0.485 nan 8.310 nan 0.000 0.555 1215 P HA -0.046 nan 4.420 nan 0.000 0.219 1215 P C 0.522 177.817 177.300 -0.007 0.000 1.146 1215 P CA 1.117 64.224 63.100 0.013 0.000 0.808 1215 P CB -0.076 31.640 31.700 0.027 0.000 0.779 1216 E N -1.536 118.658 120.200 -0.010 0.000 2.502 1216 E HA 0.247 4.597 4.350 -0.000 0.000 0.194 1216 E C 1.324 177.908 176.600 -0.027 0.000 1.062 1216 E CA 0.663 57.051 56.400 -0.020 0.000 0.867 1216 E CB -0.777 28.910 29.700 -0.021 0.000 0.888 1216 E HN 0.163 nan 8.360 nan 0.000 0.510 1217 G N 0.505 109.292 108.800 -0.021 0.000 2.130 1217 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 1217 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 1217 G C 0.177 175.116 174.900 0.064 0.000 0.999 1217 G CA 0.257 45.352 45.100 -0.007 0.000 0.686 1217 G HN 0.267 nan 8.290 nan 0.000 0.515 1218 S N -0.261 115.442 115.700 0.006 0.000 2.442 1218 S HA 0.636 5.106 4.470 -0.000 0.000 0.297 1218 S C 0.366 174.871 174.600 -0.158 0.000 1.131 1218 S CA -0.675 57.499 58.200 -0.044 0.000 1.092 1218 S CB 0.919 64.054 63.200 -0.109 0.000 0.998 1218 S HN 1.132 nan 8.310 nan 0.000 0.478 1219 L N 6.725 127.879 121.223 -0.114 0.000 2.534 1219 L HA 0.215 4.555 4.340 -0.000 0.000 0.271 1219 L C 1.237 177.940 176.870 -0.278 0.000 1.178 1219 L CA 0.786 55.411 54.840 -0.358 0.000 0.907 1219 L CB 0.142 42.050 42.059 -0.252 0.000 1.164 1219 L HN 0.813 nan 8.230 nan 0.000 0.482 1220 H N 1.947 120.919 119.070 -0.163 0.000 2.415 1220 H HA 0.049 4.605 4.556 -0.000 0.000 0.297 1220 H C 0.316 175.645 175.328 0.000 0.000 1.048 1220 H CA 1.196 57.230 56.048 -0.024 0.000 1.365 1220 H CB -0.020 29.794 29.762 0.086 0.000 1.421 1220 H HN 0.675 nan 8.280 nan 0.000 0.533 1221 T N -0.007 114.602 114.554 0.092 0.000 2.875 1221 T HA 0.404 4.754 4.350 -0.000 0.000 0.307 1221 T C 0.794 175.523 174.700 0.049 0.000 1.013 1221 T CA -0.631 61.537 62.100 0.113 0.000 0.970 1221 T CB 0.625 69.596 68.868 0.173 0.000 0.986 1221 T HN 0.195 nan 8.240 nan 0.000 0.536 1222 R N 1.755 122.300 120.500 0.074 0.000 2.565 1222 R HA 0.437 4.777 4.340 -0.000 0.000 0.347 1222 R C 0.728 177.077 176.300 0.082 0.000 1.010 1222 R CA -0.481 55.644 56.100 0.042 0.000 1.126 1222 R CB 1.244 31.563 30.300 0.033 0.000 1.331 1222 R HN 0.788 nan 8.270 nan 0.000 0.552 1223 G N 0.324 109.222 108.800 0.164 0.000 2.550 1223 G HA2 0.196 4.156 3.960 -0.000 0.000 0.293 1223 G HA3 0.196 4.156 3.960 -0.000 0.000 0.293 1223 G C -2.616 172.483 174.900 0.332 0.000 1.402 1223 G CA -0.757 44.479 45.100 0.227 0.000 0.784 1223 G HN -0.308 nan 8.290 nan 0.000 0.482 1224 P HA -0.032 nan 4.420 nan 0.000 0.226 1224 P C 1.799 179.169 177.300 0.117 0.000 1.153 1224 P CA 1.638 64.881 63.100 0.238 0.000 0.777 1224 P CB 0.212 32.053 31.700 0.235 0.000 0.794 1225 S N -0.675 115.095 115.700 0.117 0.000 2.453 1225 S HA -0.068 4.401 4.470 -0.000 0.000 0.231 1225 S C 1.659 176.297 174.600 0.063 0.000 1.005 1225 S CA 1.637 59.879 58.200 0.069 0.000 0.949 1225 S CB -1.554 61.683 63.200 0.062 0.000 0.774 1225 S HN 0.320 nan 8.310 nan 0.000 0.510 1226 T N -3.669 110.949 114.554 0.106 0.000 2.975 1226 T HA 0.294 4.644 4.350 -0.000 0.000 0.261 1226 T C -0.224 174.569 174.700 0.155 0.000 0.984 1226 T CA -0.399 61.764 62.100 0.105 0.000 0.911 1226 T CB -0.282 68.658 68.868 0.120 0.000 1.127 1226 T HN 0.368 nan 8.240 nan 0.000 0.514 1227 Y N 2.564 122.885 120.300 0.034 0.000 2.338 1227 Y HA 0.565 5.114 4.550 -0.000 0.000 0.328 1227 Y C -1.145 174.704 175.900 -0.084 0.000 0.965 1227 Y CA -1.484 56.623 58.100 0.010 0.000 1.208 1227 Y CB 1.099 39.615 38.460 0.093 0.000 1.132 1227 Y HN -0.201 nan 8.280 nan 0.000 0.469 1228 K N 8.641 128.750 120.400 -0.484 0.000 2.299 1228 K HA 0.307 4.627 4.320 -0.000 0.000 0.268 1228 K C -0.253 176.026 176.600 -0.536 0.000 1.075 1228 K CA -0.401 55.649 56.287 -0.395 0.000 0.936 1228 K CB 0.541 32.894 32.500 -0.246 0.000 1.228 1228 K HN 0.845 nan 8.250 nan 0.000 0.454 1229 I N -0.423 119.837 120.570 -0.516 0.000 2.764 1229 I HA 0.388 4.558 4.170 -0.000 0.000 0.294 1229 I C -2.053 173.893 176.117 -0.284 0.000 1.045 1229 I CA -2.371 58.674 61.300 -0.425 0.000 1.340 1229 I CB 0.197 37.922 38.000 -0.458 0.000 1.436 1229 I HN 0.195 nan 8.210 nan 0.000 0.567 1230 P HA 0.130 nan 4.420 nan 0.000 0.264 1230 P C -0.800 176.414 177.300 -0.144 0.000 1.183 1230 P CA 0.139 63.140 63.100 -0.165 0.000 0.763 1230 P CB 0.599 32.213 31.700 -0.144 0.000 0.807 1231 A N 2.089 124.850 122.820 -0.099 0.000 2.309 1231 A HA 0.507 4.826 4.320 -0.000 0.000 0.317 1231 A C 0.715 178.298 177.584 -0.003 0.000 1.134 1231 A CA -0.560 51.456 52.037 -0.034 0.000 0.866 1231 A CB 0.041 19.047 19.000 0.011 0.000 1.329 1231 A HN 0.421 nan 8.150 nan 0.000 0.477 1232 F N 0.614 120.551 119.950 -0.022 0.000 2.115 1232 F HA -0.165 4.362 4.527 -0.001 0.000 0.300 1232 F C 2.524 178.315 175.800 -0.015 0.000 1.092 1232 F CA 2.640 60.638 58.000 -0.004 0.000 1.245 1232 F CB -0.312 38.688 39.000 0.000 0.000 0.995 1232 F HN 0.650 nan 8.300 nan 0.000 0.481 1233 G N -1.868 107.031 108.800 0.164 0.000 2.679 1233 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.212 1233 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.212 1233 G C 1.485 176.378 174.900 -0.012 0.000 1.137 1233 G CA 0.825 45.961 45.100 0.059 0.000 0.787 1233 G HN 0.365 nan 8.290 nan 0.000 0.534 1234 S N 0.050 115.730 115.700 -0.033 0.000 2.501 1234 S HA 0.165 4.635 4.470 -0.000 0.000 0.220 1234 S C 1.149 175.692 174.600 -0.094 0.000 0.997 1234 S CA -0.284 57.865 58.200 -0.085 0.000 0.919 1234 S CB -0.052 63.091 63.200 -0.096 0.000 0.778 1234 S HN 0.609 nan 8.310 nan 0.000 0.523 1235 I N 0.302 120.826 120.570 -0.076 0.000 2.720 1235 I HA 0.389 4.558 4.170 -0.000 0.000 0.287 1235 I C -2.948 173.074 176.117 -0.158 0.000 1.090 1235 I CA -2.580 58.638 61.300 -0.136 0.000 1.384 1235 I CB -0.098 37.860 38.000 -0.071 0.000 1.420 1235 I HN -0.214 nan 8.210 nan 0.000 0.575 1236 P HA 0.036 nan 4.420 nan 0.000 0.264 1236 P C 0.523 177.776 177.300 -0.078 0.000 1.183 1236 P CA 0.106 63.091 63.100 -0.191 0.000 0.763 1236 P CB 0.560 32.083 31.700 -0.296 0.000 0.807 1237 T N 0.703 115.233 114.554 -0.039 0.000 2.699 1237 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 1237 T C 0.716 175.436 174.700 0.033 0.000 1.036 1237 T CA 1.478 63.578 62.100 0.000 0.000 1.147 1237 T CB -0.200 68.661 68.868 -0.012 0.000 0.862 1237 T HN 0.429 nan 8.240 nan 0.000 0.446 1238 E N 0.236 120.452 120.200 0.027 0.000 2.145 1238 E HA 0.409 4.758 4.350 -0.000 0.000 0.270 1238 E C -1.649 175.024 176.600 0.122 0.000 0.906 1238 E CA -0.417 56.018 56.400 0.059 0.000 0.761 1238 E CB 1.188 30.902 29.700 0.023 0.000 1.116 1238 E HN 0.395 nan 8.360 nan 0.000 0.408 1239 F N 4.605 124.519 119.950 -0.061 0.000 2.610 1239 F HA 0.401 4.927 4.527 -0.000 0.000 0.355 1239 F C -0.434 175.303 175.800 -0.105 0.000 1.140 1239 F CA -0.774 57.167 58.000 -0.099 0.000 1.037 1239 F CB 0.738 39.692 39.000 -0.077 0.000 1.287 1239 F HN 0.184 nan 8.300 nan 0.000 0.457 1240 R N 5.254 125.808 120.500 0.090 0.000 2.437 1240 R HA 0.633 4.972 4.340 -0.000 0.000 0.310 1240 R C -1.472 174.750 176.300 -0.131 0.000 0.955 1240 R CA -0.960 55.099 56.100 -0.068 0.000 0.851 1240 R CB 2.742 33.022 30.300 -0.034 0.000 1.161 1240 R HN 0.287 nan 8.270 nan 0.000 0.446 1241 V N 2.065 121.864 119.914 -0.192 0.000 2.487 1241 V HA 0.390 4.509 4.120 -0.000 0.000 0.298 1241 V C -0.359 175.671 176.094 -0.108 0.000 1.028 1241 V CA -0.654 61.544 62.300 -0.169 0.000 0.860 1241 V CB 1.993 33.673 31.823 -0.239 0.000 0.991 1241 V HN 0.771 nan 8.190 nan 0.000 0.427 1242 S N 5.161 120.819 115.700 -0.071 0.000 2.513 1242 S HA 0.736 5.206 4.470 -0.000 0.000 0.299 1242 S C -0.623 173.960 174.600 -0.028 0.000 1.087 1242 S CA -0.661 57.511 58.200 -0.047 0.000 1.012 1242 S CB 1.658 64.835 63.200 -0.038 0.000 1.044 1242 S HN 0.530 nan 8.310 nan 0.000 0.485 1243 L N 2.707 123.918 121.223 -0.020 0.000 2.275 1243 L HA 0.438 4.777 4.340 -0.000 0.000 0.288 1243 L C -0.240 176.631 176.870 0.001 0.000 1.046 1243 L CA -0.957 53.880 54.840 -0.004 0.000 0.805 1243 L CB 0.622 42.679 42.059 -0.004 0.000 1.193 1243 L HN 0.468 nan 8.230 nan 0.000 0.426 1244 L N 4.529 125.760 121.223 0.014 0.000 2.540 1244 L HA 0.046 4.385 4.340 -0.000 0.000 0.276 1244 L C 0.493 177.369 176.870 0.010 0.000 1.212 1244 L CA 0.806 55.655 54.840 0.014 0.000 0.893 1244 L CB 0.053 42.128 42.059 0.027 0.000 1.138 1244 L HN 0.517 nan 8.230 nan 0.000 0.491 1245 R N 3.844 124.347 120.500 0.005 0.000 2.532 1245 R HA 0.236 4.576 4.340 -0.000 0.000 0.272 1245 R C -0.372 175.930 176.300 0.005 0.000 1.032 1245 R CA -0.644 55.457 56.100 0.002 0.000 1.089 1245 R CB 0.455 30.755 30.300 -0.001 0.000 1.098 1245 R HN 0.719 nan 8.270 nan 0.000 0.526 1246 D N 0.495 120.896 120.400 0.003 0.000 2.737 1246 D HA -0.135 4.505 4.640 -0.000 0.000 0.238 1246 D C -0.442 175.861 176.300 0.006 0.000 1.157 1246 D CA 0.946 54.948 54.000 0.003 0.000 0.694 1246 D CB -1.183 39.619 40.800 0.004 0.000 1.021 1246 D HN 0.708 nan 8.370 nan 0.000 0.420 1247 C N -1.256 118.048 119.300 0.006 0.000 3.517 1247 C HA 0.423 4.883 4.460 -0.000 0.000 0.202 1247 C C -2.260 172.730 174.990 0.001 0.000 1.370 1247 C CA -1.827 57.197 59.018 0.010 0.000 1.308 1247 C CB 0.489 28.243 27.740 0.024 0.000 1.840 1247 C HN 0.076 nan 8.230 nan 0.000 0.525 1248 P HA 0.170 nan 4.420 nan 0.000 0.271 1248 P C -0.561 176.709 177.300 -0.050 0.000 1.216 1248 P CA 0.436 63.521 63.100 -0.026 0.000 0.776 1248 P CB 0.800 32.488 31.700 -0.020 0.000 0.881 1249 N N 2.085 120.728 118.700 -0.095 0.000 2.527 1249 N HA 0.083 4.823 4.740 -0.000 0.000 0.236 1249 N C 0.853 176.256 175.510 -0.179 0.000 0.999 1249 N CA -0.297 52.648 53.050 -0.176 0.000 0.935 1249 N CB 0.330 38.623 38.487 -0.324 0.000 1.132 1249 N HN 0.142 nan 8.380 nan 0.000 0.511 1250 K N 1.659 121.980 120.400 -0.133 0.000 2.281 1250 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 1250 K C 0.799 177.319 176.600 -0.133 0.000 1.046 1250 K CA 0.952 57.175 56.287 -0.108 0.000 0.938 1250 K CB 0.234 32.692 32.500 -0.070 0.000 0.737 1250 K HN 0.487 nan 8.250 nan 0.000 0.458 1251 K N -0.205 120.065 120.400 -0.216 0.000 2.418 1251 K HA 0.103 4.422 4.320 -0.000 0.000 0.195 1251 K C 0.484 177.034 176.600 -0.082 0.000 1.035 1251 K CA 0.210 56.375 56.287 -0.204 0.000 1.003 1251 K CB 0.731 32.971 32.500 -0.432 0.000 0.793 1251 K HN 0.062 nan 8.250 nan 0.000 0.494 1252 A N 0.899 123.598 122.820 -0.201 0.000 2.527 1252 A HA 0.451 4.771 4.320 -0.000 0.000 0.293 1252 A C -0.783 176.676 177.584 -0.209 0.000 1.117 1252 A CA -0.874 51.071 52.037 -0.154 0.000 0.723 1252 A CB 0.902 19.820 19.000 -0.138 0.000 1.313 1252 A HN 0.134 nan 8.150 nan 0.000 0.411 1253 I N 1.019 121.431 120.570 -0.262 0.000 2.919 1253 I HA -0.000 4.170 4.170 -0.000 0.000 0.299 1253 I C 0.093 176.073 176.117 -0.228 0.000 1.221 1253 I CA 1.483 62.550 61.300 -0.389 0.000 1.424 1253 I CB -0.916 36.850 38.000 -0.390 0.000 1.358 1253 I HN 0.637 nan 8.210 nan 0.000 0.551 1254 Y N 5.417 125.608 120.300 -0.183 0.000 3.617 1254 Y HA -0.295 4.254 4.550 -0.001 0.000 0.215 1254 Y C 1.390 177.226 175.900 -0.107 0.000 1.178 1254 Y CA 0.516 58.539 58.100 -0.128 0.000 1.517 1254 Y CB -1.857 36.546 38.460 -0.095 0.000 1.457 1254 Y HN 1.034 nan 8.280 nan 0.000 0.615 1255 A N -1.062 121.742 122.820 -0.028 0.000 2.847 1255 A HA -0.245 4.075 4.320 -0.000 0.000 0.263 1255 A C 0.958 178.501 177.584 -0.068 0.000 1.391 1255 A CA 1.024 53.024 52.037 -0.062 0.000 0.866 1255 A CB -1.940 17.043 19.000 -0.029 0.000 1.057 1255 A HN 1.311 nan 8.150 nan 0.000 0.673 1256 S N -0.992 114.672 115.700 -0.060 0.000 2.681 1256 S HA 0.770 5.240 4.470 -0.000 0.000 0.270 1256 S C -0.106 174.438 174.600 -0.093 0.000 1.209 1256 S CA -0.164 58.010 58.200 -0.044 0.000 0.988 1256 S CB 1.534 64.735 63.200 0.001 0.000 1.006 1256 S HN 0.541 nan 8.310 nan 0.000 0.558 1257 K N -0.199 120.191 120.400 -0.016 0.000 2.435 1257 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 1257 K C -0.669 176.025 176.600 0.156 0.000 0.954 1257 K CA -0.901 55.432 56.287 0.077 0.000 0.820 1257 K CB 2.191 34.754 32.500 0.104 0.000 1.292 1257 K HN 0.854 nan 8.250 nan 0.000 0.436 1258 A N 1.152 124.131 122.820 0.264 0.000 2.540 1258 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 1258 A C 0.604 178.228 177.584 0.068 0.000 1.061 1258 A CA 0.088 52.199 52.037 0.124 0.000 0.758 1258 A CB 0.368 19.408 19.000 0.066 0.000 0.991 1258 A HN 0.522 nan 8.150 nan 0.000 0.502 1259 V N 2.757 122.687 119.914 0.028 0.000 3.485 1259 V HA 0.218 4.338 4.120 -0.000 0.000 0.280 1259 V C 1.722 177.806 176.094 -0.016 0.000 1.495 1259 V CA 1.413 63.719 62.300 0.011 0.000 1.018 1259 V CB -0.090 31.750 31.823 0.028 0.000 0.818 1259 V HN 1.078 nan 8.190 nan 0.000 0.436 1260 G N 0.159 108.944 108.800 -0.024 0.000 2.433 1260 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 1260 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 1260 G C 1.244 176.116 174.900 -0.047 0.000 1.186 1260 G CA 1.374 46.469 45.100 -0.008 0.000 0.779 1260 G HN 0.581 nan 8.290 nan 0.000 0.543 1261 E N 0.325 120.417 120.200 -0.180 0.000 2.166 1261 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 1261 E C -0.186 176.057 176.600 -0.595 0.000 0.967 1261 E CA 0.059 56.247 56.400 -0.353 0.000 0.840 1261 E CB 0.020 29.418 29.700 -0.503 0.000 0.795 1261 E HN 0.287 nan 8.360 nan 0.000 0.470 1262 P HA -0.149 nan 4.420 nan 0.000 0.217 1262 P C -1.731 175.492 177.300 -0.127 0.000 1.151 1262 P CA 1.728 64.518 63.100 -0.516 0.000 0.849 1262 P CB -0.764 30.818 31.700 -0.197 0.000 0.787 1263 P HA 0.020 nan 4.420 nan 0.000 0.241 1263 P C 1.470 178.859 177.300 0.148 0.000 1.191 1263 P CA 0.384 63.547 63.100 0.105 0.000 0.771 1263 P CB -0.402 31.373 31.700 0.125 0.000 0.929 1264 L N -1.125 120.145 121.223 0.078 0.000 2.042 1264 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 1264 L C 2.174 179.139 176.870 0.158 0.000 1.076 1264 L CA 1.598 56.487 54.840 0.081 0.000 0.749 1264 L CB -0.712 41.365 42.059 0.029 0.000 0.893 1264 L HN -0.110 nan 8.230 nan 0.000 0.432 1265 F N 0.220 120.241 119.950 0.118 0.000 2.269 1265 F HA -0.206 4.320 4.527 -0.001 0.000 0.301 1265 F C 1.896 177.814 175.800 0.197 0.000 1.082 1265 F CA 1.425 59.557 58.000 0.220 0.000 1.360 1265 F CB -0.330 38.782 39.000 0.188 0.000 1.041 1265 F HN 0.018 nan 8.300 nan 0.000 0.512 1266 L N -0.118 121.108 121.223 0.006 0.000 2.265 1266 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 1266 L C 2.724 179.583 176.870 -0.018 0.000 1.117 1266 L CA 0.975 55.827 54.840 0.020 0.000 0.782 1266 L CB -1.547 40.684 42.059 0.286 0.000 0.914 1266 L HN 0.329 nan 8.230 nan 0.000 0.441 1267 G N -0.003 108.624 108.800 -0.288 0.000 2.499 1267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.221 1267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.221 1267 G C 1.719 176.435 174.900 -0.308 0.000 1.109 1267 G CA 0.799 45.484 45.100 -0.692 0.000 0.749 1267 G HN 0.497 nan 8.290 nan 0.000 0.568 1268 A N 1.256 123.786 122.820 -0.484 0.000 2.125 1268 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 1268 A C 2.668 180.143 177.584 -0.182 0.000 1.156 1268 A CA 2.088 53.674 52.037 -0.751 0.000 0.671 1268 A CB -0.573 17.670 19.000 -1.261 0.000 0.794 1268 A HN 0.744 nan 8.150 nan 0.000 0.459 1269 S N -0.250 115.408 115.700 -0.071 0.000 2.400 1269 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 1269 S C 1.669 176.340 174.600 0.118 0.000 1.025 1269 S CA 1.524 59.791 58.200 0.113 0.000 0.993 1269 S CB -0.900 62.388 63.200 0.147 0.000 0.808 1269 S HN 0.279 nan 8.310 nan 0.000 0.478 1270 V N 0.878 120.829 119.914 0.063 0.000 2.453 1270 V HA -0.043 4.077 4.120 -0.000 0.000 0.247 1270 V C 2.057 178.134 176.094 -0.029 0.000 1.048 1270 V CA 1.845 64.167 62.300 0.036 0.000 1.049 1270 V CB -1.023 30.815 31.823 0.025 0.000 0.672 1270 V HN 0.556 nan 8.190 nan 0.000 0.457 1271 F N 0.598 120.415 119.950 -0.221 0.000 2.102 1271 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 1271 F C 2.052 177.635 175.800 -0.360 0.000 1.105 1271 F CA 1.881 59.675 58.000 -0.343 0.000 1.239 1271 F CB -0.328 38.365 39.000 -0.513 0.000 0.991 1271 F HN 0.132 nan 8.300 nan 0.000 0.474 1272 F N 0.218 120.258 119.950 0.150 0.000 2.234 1272 F HA -0.054 4.472 4.527 -0.001 0.000 0.299 1272 F C 2.522 178.305 175.800 -0.028 0.000 1.087 1272 F CA 0.780 58.813 58.000 0.054 0.000 1.340 1272 F CB -1.095 37.943 39.000 0.064 0.000 1.031 1272 F HN 0.073 nan 8.300 nan 0.000 0.500 1273 A N 0.760 123.643 122.820 0.105 0.000 1.883 1273 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 1273 A C 2.202 179.762 177.584 -0.040 0.000 1.186 1273 A CA 1.671 53.731 52.037 0.038 0.000 0.624 1273 A CB -1.068 17.952 19.000 0.033 0.000 0.822 1273 A HN 0.394 nan 8.150 nan 0.000 0.444 1274 I N -0.720 119.762 120.570 -0.147 0.000 2.226 1274 I HA -0.274 3.895 4.170 -0.000 0.000 0.245 1274 I C 2.564 178.579 176.117 -0.169 0.000 1.100 1274 I CA 1.841 63.011 61.300 -0.217 0.000 1.374 1274 I CB -0.290 37.470 38.000 -0.400 0.000 1.057 1274 I HN 0.368 nan 8.210 nan 0.000 0.413 1275 K N 0.887 121.154 120.400 -0.222 0.000 2.057 1275 K HA -0.272 4.047 4.320 -0.000 0.000 0.207 1275 K C 1.776 178.431 176.600 0.092 0.000 1.049 1275 K CA 2.159 58.402 56.287 -0.074 0.000 0.931 1275 K CB -0.129 32.304 32.500 -0.112 0.000 0.714 1275 K HN 0.172 nan 8.250 nan 0.000 0.440 1276 D N -0.201 120.240 120.400 0.069 0.000 2.106 1276 D HA -0.174 4.465 4.640 -0.000 0.000 0.191 1276 D C 1.662 178.006 176.300 0.074 0.000 0.997 1276 D CA 1.751 55.802 54.000 0.084 0.000 0.834 1276 D CB -0.071 40.771 40.800 0.069 0.000 0.956 1276 D HN 0.334 nan 8.370 nan 0.000 0.448 1277 A N -0.051 122.794 122.820 0.042 0.000 1.902 1277 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 1277 A C 2.415 180.033 177.584 0.056 0.000 1.181 1277 A CA 1.205 53.267 52.037 0.042 0.000 0.623 1277 A CB -0.778 18.232 19.000 0.017 0.000 0.818 1277 A HN 0.379 nan 8.150 nan 0.000 0.443 1278 I N -1.124 119.483 120.570 0.061 0.000 2.226 1278 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 1278 I C 2.692 178.834 176.117 0.042 0.000 1.100 1278 I CA 1.673 63.000 61.300 0.044 0.000 1.374 1278 I CB -0.330 37.708 38.000 0.063 0.000 1.057 1278 I HN 0.356 nan 8.210 nan 0.000 0.413 1279 R N 1.173 121.775 120.500 0.170 0.000 2.105 1279 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 1279 R C 2.348 178.697 176.300 0.081 0.000 1.135 1279 R CA 1.626 57.838 56.100 0.186 0.000 0.967 1279 R CB -0.219 30.233 30.300 0.253 0.000 0.861 1279 R HN 0.378 nan 8.270 nan 0.000 0.442 1280 A N 0.398 123.257 122.820 0.064 0.000 1.930 1280 A HA -0.049 4.270 4.320 -0.000 0.000 0.217 1280 A C 2.309 179.894 177.584 0.001 0.000 1.175 1280 A CA 1.489 53.545 52.037 0.032 0.000 0.627 1280 A CB -0.675 18.352 19.000 0.045 0.000 0.815 1280 A HN 0.517 nan 8.150 nan 0.000 0.443 1281 A N -0.070 122.764 122.820 0.022 0.000 1.898 1281 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 1281 A C 2.232 179.831 177.584 0.024 0.000 1.181 1281 A CA 1.502 53.564 52.037 0.042 0.000 0.620 1281 A CB -0.419 18.637 19.000 0.092 0.000 0.819 1281 A HN 0.543 nan 8.150 nan 0.000 0.442 1282 R N -0.462 120.026 120.500 -0.019 0.000 2.092 1282 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 1282 R C 2.450 178.731 176.300 -0.031 0.000 1.119 1282 R CA 1.017 57.092 56.100 -0.041 0.000 0.970 1282 R CB -0.454 29.766 30.300 -0.133 0.000 0.864 1282 R HN 0.502 nan 8.270 nan 0.000 0.440 1283 A N 1.126 123.928 122.820 -0.030 0.000 1.908 1283 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 1283 A C 2.142 179.665 177.584 -0.102 0.000 1.181 1283 A CA 1.772 53.784 52.037 -0.041 0.000 0.627 1283 A CB -0.507 18.477 19.000 -0.026 0.000 0.818 1283 A HN 0.306 nan 8.150 nan 0.000 0.445 1284 Q N -1.374 118.317 119.800 -0.182 0.000 2.046 1284 Q HA -0.173 4.166 4.340 -0.000 0.000 0.200 1284 Q C 1.655 177.378 176.000 -0.461 0.000 0.975 1284 Q CA 2.007 57.576 55.803 -0.389 0.000 0.836 1284 Q CB -0.158 28.220 28.738 -0.600 0.000 0.896 1284 Q HN 0.778 nan 8.270 nan 0.000 0.428 1285 H N -1.386 117.620 119.070 -0.106 0.000 2.874 1285 H HA 0.252 4.808 4.556 -0.000 0.000 0.264 1285 H C 0.516 175.816 175.328 -0.047 0.000 1.007 1285 H CA 0.979 56.974 56.048 -0.088 0.000 1.207 1285 H CB 0.674 30.393 29.762 -0.071 0.000 1.487 1285 H HN 0.428 nan 8.280 nan 0.000 0.505 1286 T N -0.767 113.814 114.554 0.046 0.000 2.644 1286 T HA 0.152 4.502 4.350 -0.000 0.000 0.253 1286 T C 0.324 175.028 174.700 0.006 0.000 0.910 1286 T CA -1.058 61.057 62.100 0.025 0.000 1.066 1286 T CB 1.045 69.919 68.868 0.009 0.000 1.484 1286 T HN 0.258 nan 8.240 nan 0.000 0.560 1287 N N 1.513 120.219 118.700 0.010 0.000 2.353 1287 N HA -0.055 4.685 4.740 -0.000 0.000 0.248 1287 N C -0.532 174.987 175.510 0.014 0.000 1.240 1287 N CA -0.161 52.897 53.050 0.014 0.000 0.862 1287 N CB 0.012 38.513 38.487 0.024 0.000 1.086 1287 N HN 0.554 nan 8.380 nan 0.000 0.453 1288 N N 1.148 119.855 118.700 0.013 0.000 2.380 1288 N HA 0.060 4.800 4.740 -0.000 0.000 0.255 1288 N C -0.711 174.813 175.510 0.024 0.000 1.158 1288 N CA -0.230 52.826 53.050 0.010 0.000 0.878 1288 N CB -0.112 38.373 38.487 -0.003 0.000 1.138 1288 N HN 0.519 nan 8.380 nan 0.000 0.509 1289 N N 0.810 119.533 118.700 0.038 0.000 2.431 1289 N HA 0.020 4.759 4.740 -0.000 0.000 0.265 1289 N C 1.023 176.569 175.510 0.060 0.000 1.184 1289 N CA 0.375 53.456 53.050 0.051 0.000 0.943 1289 N CB 1.223 39.748 38.487 0.064 0.000 1.080 1289 N HN 0.117 nan 8.380 nan 0.000 0.477 1290 T N 1.702 116.288 114.554 0.053 0.000 2.867 1290 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 1290 T C 1.125 175.870 174.700 0.076 0.000 1.057 1290 T CA 1.137 63.272 62.100 0.059 0.000 1.136 1290 T CB 0.150 69.047 68.868 0.047 0.000 0.874 1290 T HN 0.456 nan 8.240 nan 0.000 0.466 1291 K N 1.296 121.742 120.400 0.077 0.000 2.493 1291 K HA 0.193 4.512 4.320 -0.000 0.000 0.207 1291 K C 0.403 177.064 176.600 0.102 0.000 1.033 1291 K CA -0.171 56.167 56.287 0.087 0.000 1.161 1291 K CB 0.432 32.981 32.500 0.082 0.000 0.873 1291 K HN 0.371 nan 8.250 nan 0.000 0.491 1292 E N 2.017 122.287 120.200 0.117 0.000 2.344 1292 E HA 0.077 4.427 4.350 -0.000 0.000 0.270 1292 E C -0.851 175.865 176.600 0.194 0.000 1.021 1292 E CA 0.008 56.498 56.400 0.149 0.000 0.887 1292 E CB 0.564 30.357 29.700 0.155 0.000 0.997 1292 E HN 0.177 nan 8.360 nan 0.000 0.429 1293 L N 5.391 126.723 121.223 0.182 0.000 2.331 1293 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 1293 L C -0.306 176.718 176.870 0.257 0.000 1.022 1293 L CA -1.011 53.920 54.840 0.152 0.000 0.812 1293 L CB 0.891 43.011 42.059 0.103 0.000 1.257 1293 L HN 0.493 nan 8.230 nan 0.000 0.435 1294 F N -0.624 119.393 119.950 0.112 0.000 2.613 1294 F HA 0.630 5.157 4.527 -0.000 0.000 0.310 1294 F C -0.601 175.285 175.800 0.143 0.000 1.085 1294 F CA -1.258 56.809 58.000 0.111 0.000 0.945 1294 F CB 1.475 40.529 39.000 0.090 0.000 1.298 1294 F HN 0.303 nan 8.300 nan 0.000 0.455 1295 R N 2.458 123.125 120.500 0.278 0.000 2.234 1295 R HA 0.639 4.979 4.340 -0.000 0.000 0.324 1295 R C -1.870 174.612 176.300 0.303 0.000 1.054 1295 R CA -0.645 55.590 56.100 0.223 0.000 0.912 1295 R CB 1.014 31.449 30.300 0.225 0.000 1.030 1295 R HN 0.848 nan 8.270 nan 0.000 0.455 1296 L N 5.277 126.656 121.223 0.261 0.000 2.388 1296 L HA 0.367 4.706 4.340 -0.000 0.000 0.267 1296 L C -1.172 175.986 176.870 0.480 0.000 0.995 1296 L CA -0.460 54.590 54.840 0.351 0.000 0.864 1296 L CB 1.364 43.593 42.059 0.283 0.000 1.216 1296 L HN 0.680 nan 8.230 nan 0.000 0.430 1297 D N 1.419 122.072 120.400 0.422 0.000 2.377 1297 D HA 0.203 4.843 4.640 -0.000 0.000 0.245 1297 D C -0.250 176.314 176.300 0.441 0.000 1.196 1297 D CA 0.047 54.310 54.000 0.438 0.000 0.962 1297 D CB 1.456 42.502 40.800 0.410 0.000 1.127 1297 D HN 0.429 nan 8.370 nan 0.000 0.471 1298 S N 0.172 116.005 115.700 0.222 0.000 2.525 1298 S HA 0.506 4.976 4.470 -0.000 0.000 0.290 1298 S C -2.648 171.972 174.600 0.034 0.000 1.152 1298 S CA -1.482 56.718 58.200 0.000 0.000 1.072 1298 S CB 1.209 64.032 63.200 -0.628 0.000 1.027 1298 S HN 0.148 nan 8.310 nan 0.000 0.500 1299 P HA 0.260 nan 4.420 nan 0.000 0.278 1299 P C -1.200 176.212 177.300 0.187 0.000 1.238 1299 P CA -0.514 62.631 63.100 0.075 0.000 0.794 1299 P CB 0.838 32.532 31.700 -0.009 0.000 0.955 1300 A N 2.786 125.764 122.820 0.262 0.000 2.906 1300 A HA 0.345 4.665 4.320 -0.000 0.000 0.289 1300 A C 0.999 178.595 177.584 0.021 0.000 1.675 1300 A CA -0.121 51.986 52.037 0.116 0.000 1.372 1300 A CB -1.415 17.522 19.000 -0.105 0.000 1.091 1300 A HN 0.608 nan 8.150 nan 0.000 0.579 1301 T N -0.523 114.057 114.554 0.043 0.000 2.816 1301 T HA 0.383 4.733 4.350 -0.000 0.000 0.282 1301 T C -1.715 172.996 174.700 0.018 0.000 0.993 1301 T CA -1.455 60.659 62.100 0.023 0.000 0.994 1301 T CB 0.592 69.472 68.868 0.021 0.000 1.025 1301 T HN 0.177 nan 8.240 nan 0.000 0.529 1302 P HA -0.105 nan 4.420 nan 0.000 0.218 1302 P C 1.488 178.795 177.300 0.012 0.000 1.148 1302 P CA 1.062 64.175 63.100 0.022 0.000 0.822 1302 P CB 0.054 31.763 31.700 0.015 0.000 0.784 1303 E N 0.482 120.687 120.200 0.009 0.000 2.038 1303 E HA -0.239 4.110 4.350 -0.000 0.000 0.195 1303 E C 1.783 178.400 176.600 0.028 0.000 1.000 1303 E CA 1.404 57.811 56.400 0.012 0.000 0.803 1303 E CB -0.194 29.510 29.700 0.007 0.000 0.750 1303 E HN 0.146 nan 8.360 nan 0.000 0.448 1304 K N 0.122 120.548 120.400 0.043 0.000 2.057 1304 K HA -0.124 4.195 4.320 -0.000 0.000 0.207 1304 K C 2.315 178.943 176.600 0.045 0.000 1.049 1304 K CA 1.406 57.732 56.287 0.065 0.000 0.931 1304 K CB -0.168 32.391 32.500 0.098 0.000 0.714 1304 K HN 0.262 nan 8.250 nan 0.000 0.440 1305 I N 0.585 121.166 120.570 0.018 0.000 2.179 1305 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 1305 I C 2.618 178.739 176.117 0.008 0.000 1.088 1305 I CA 0.997 62.295 61.300 -0.003 0.000 1.357 1305 I CB -0.168 37.817 38.000 -0.024 0.000 1.051 1305 I HN 0.065 nan 8.210 nan 0.000 0.409 1306 R N 1.653 122.161 120.500 0.014 0.000 2.073 1306 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 1306 R C 1.939 178.249 176.300 0.018 0.000 1.134 1306 R CA 1.780 57.890 56.100 0.016 0.000 0.952 1306 R CB -0.581 29.723 30.300 0.007 0.000 0.850 1306 R HN 0.290 nan 8.270 nan 0.000 0.433 1307 N N 0.278 118.989 118.700 0.020 0.000 2.223 1307 N HA -0.114 4.625 4.740 -0.000 0.000 0.185 1307 N C 1.312 176.825 175.510 0.004 0.000 1.016 1307 N CA 1.549 54.613 53.050 0.023 0.000 0.863 1307 N CB -0.356 38.152 38.487 0.036 0.000 0.983 1307 N HN 0.395 nan 8.380 nan 0.000 0.429 1308 A N -0.305 122.507 122.820 -0.013 0.000 2.067 1308 A HA 0.018 4.337 4.320 -0.000 0.000 0.217 1308 A C 1.186 178.676 177.584 -0.156 0.000 1.156 1308 A CA 0.248 52.226 52.037 -0.099 0.000 0.683 1308 A CB -0.225 18.728 19.000 -0.079 0.000 0.808 1308 A HN 0.340 nan 8.150 nan 0.000 0.455 1309 C N 1.991 121.256 119.300 -0.059 0.000 3.057 1309 C HA 0.379 4.839 4.460 -0.000 0.000 0.563 1309 C C 0.671 175.674 174.990 0.022 0.000 1.129 1309 C CA -1.105 57.906 59.018 -0.013 0.000 1.284 1309 C CB -2.346 25.424 27.740 0.050 0.000 1.532 1309 C HN 0.321 nan 8.230 nan 0.000 0.631 1310 V N 4.113 124.019 119.914 -0.012 0.000 2.557 1310 V HA 0.163 4.283 4.120 -0.000 0.000 0.301 1310 V C 0.317 176.443 176.094 0.055 0.000 1.026 1310 V CA 1.015 63.325 62.300 0.016 0.000 1.137 1310 V CB -0.012 31.805 31.823 -0.010 0.000 0.917 1310 V HN 0.850 nan 8.190 nan 0.000 0.484 1311 D N 3.012 123.451 120.400 0.064 0.000 2.946 1311 D HA 0.223 4.863 4.640 -0.000 0.000 0.337 1311 D C 0.634 176.937 176.300 0.006 0.000 1.332 1311 D CA -0.501 53.535 54.000 0.060 0.000 0.935 1311 D CB 0.713 41.563 40.800 0.083 0.000 1.440 1311 D HN 0.349 nan 8.370 nan 0.000 0.540 1312 K N -0.470 119.873 120.400 -0.095 0.000 2.360 1312 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 1312 K C 0.977 177.328 176.600 -0.416 0.000 1.046 1312 K CA 1.124 57.238 56.287 -0.289 0.000 0.945 1312 K CB -0.477 31.782 32.500 -0.401 0.000 0.750 1312 K HN 0.296 nan 8.250 nan 0.000 0.464 1313 F N 2.146 122.093 119.950 -0.005 0.000 2.374 1313 F HA -0.025 4.502 4.527 -0.000 0.000 0.291 1313 F C 2.886 178.673 175.800 -0.022 0.000 1.084 1313 F CA 1.112 59.093 58.000 -0.033 0.000 1.413 1313 F CB -0.534 38.420 39.000 -0.078 0.000 1.099 1313 F HN 0.143 nan 8.300 nan 0.000 0.534 1314 T N -1.960 112.685 114.554 0.151 0.000 2.777 1314 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 1314 T C 1.297 176.024 174.700 0.045 0.000 1.040 1314 T CA 1.130 63.281 62.100 0.084 0.000 1.141 1314 T CB -1.307 67.600 68.868 0.065 0.000 0.868 1314 T HN 0.243 nan 8.240 nan 0.000 0.444 1315 T N 0.000 114.568 114.554 0.023 0.000 3.816 1315 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1315 T CA 0.000 62.102 62.100 0.004 0.000 1.349 1315 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658