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_C DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTTLCVTG DATA SEQUENCE APGNCK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.256 176.300 -0.073 0.000 2.045 571 D CA 0.000 53.954 54.000 -0.076 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.087 0.000 0.688 572 T N -0.646 113.864 114.554 -0.072 0.000 3.054 572 T HA 0.226 4.565 4.350 -0.018 0.000 0.255 572 T C 0.814 175.475 174.700 -0.065 0.000 1.035 572 T CA -0.031 62.035 62.100 -0.056 0.000 0.941 572 T CB 0.083 68.928 68.868 -0.038 0.000 1.026 572 T HN 0.123 nan 8.240 nan 0.000 0.533 573 V N 2.391 122.243 119.914 -0.103 0.000 2.540 573 V HA 0.440 4.550 4.120 -0.018 0.000 0.297 573 V C 1.709 177.748 176.094 -0.091 0.000 1.024 573 V CA 1.381 63.611 62.300 -0.116 0.000 1.105 573 V CB -0.170 31.505 31.823 -0.247 0.000 0.938 573 V HN 0.882 nan 8.190 nan 0.000 0.482 574 G N 4.718 113.486 108.800 -0.054 0.000 2.175 574 G HA2 -0.218 3.731 3.960 -0.018 0.000 0.244 574 G HA3 -0.218 3.731 3.960 -0.018 0.000 0.244 574 G C 0.254 175.136 174.900 -0.030 0.000 0.982 574 G CA -0.014 45.062 45.100 -0.039 0.000 0.641 574 G HN 0.621 nan 8.290 nan 0.000 0.527 575 R N 0.874 121.356 120.500 -0.030 0.000 2.474 575 R HA 0.459 4.789 4.340 -0.018 0.000 0.295 575 R C -2.364 173.928 176.300 -0.013 0.000 0.980 575 R CA -1.797 54.290 56.100 -0.022 0.000 0.934 575 R CB 1.532 31.818 30.300 -0.024 0.000 1.101 575 R HN 0.027 nan 8.270 nan 0.000 0.469 576 P HA 0.006 nan 4.420 nan 0.000 0.226 576 P C -0.565 176.738 177.300 0.006 0.000 1.783 576 P CA -0.209 62.890 63.100 -0.001 0.000 0.980 576 P CB -0.101 31.597 31.700 -0.003 0.000 1.967 577 L N 3.233 124.459 121.223 0.005 0.000 2.455 577 L HA 0.312 4.641 4.340 -0.018 0.000 0.272 577 L C -2.241 174.647 176.870 0.029 0.000 1.174 577 L CA -1.792 53.055 54.840 0.012 0.000 0.869 577 L CB -0.395 41.667 42.059 0.004 0.000 1.130 577 L HN 0.019 nan 8.230 nan 0.000 0.474 578 P HA -0.019 nan 4.420 nan 0.000 0.269 578 P C -0.834 176.530 177.300 0.107 0.000 1.209 578 P CA -0.049 63.095 63.100 0.074 0.000 0.776 578 P CB 0.208 31.949 31.700 0.067 0.000 0.876 579 H N 2.982 122.068 119.070 0.025 0.000 3.140 579 H HA -0.060 4.485 4.556 -0.018 0.000 0.316 579 H C 1.114 176.462 175.328 0.034 0.000 0.986 579 H CA 0.714 56.779 56.048 0.029 0.000 1.397 579 H CB 0.394 30.174 29.762 0.030 0.000 1.377 579 H HN 0.387 nan 8.280 nan 0.000 0.585 580 L N 4.240 125.508 121.223 0.075 0.000 2.187 580 L HA -0.193 4.137 4.340 -0.018 0.000 0.213 580 L C 2.295 179.284 176.870 0.198 0.000 1.100 580 L CA 1.502 56.407 54.840 0.108 0.000 0.765 580 L CB -0.320 41.757 42.059 0.031 0.000 0.904 580 L HN 0.645 nan 8.230 nan 0.000 0.437 581 A N -0.882 122.169 122.820 0.385 0.000 2.345 581 A HA 0.382 4.692 4.320 -0.018 0.000 0.225 581 A C 2.298 179.957 177.584 0.125 0.000 1.243 581 A CA 0.653 52.827 52.037 0.227 0.000 0.875 581 A CB -0.205 18.920 19.000 0.208 0.000 0.929 581 A HN 0.289 nan 8.150 nan 0.000 0.502 582 A N 0.443 123.345 122.820 0.136 0.000 1.908 582 A HA 0.065 4.374 4.320 -0.018 0.000 0.218 582 A C 2.435 180.044 177.584 0.041 0.000 1.181 582 A CA 2.054 54.112 52.037 0.035 0.000 0.627 582 A CB -0.872 18.164 19.000 0.059 0.000 0.818 582 A HN 1.044 nan 8.150 nan 0.000 0.445 583 A N -0.731 122.123 122.820 0.057 0.000 1.902 583 A HA -0.109 4.200 4.320 -0.018 0.000 0.217 583 A C 2.268 179.878 177.584 0.044 0.000 1.181 583 A CA 1.811 53.876 52.037 0.047 0.000 0.623 583 A CB -0.524 18.504 19.000 0.046 0.000 0.818 583 A HN 0.536 nan 8.150 nan 0.000 0.443 584 M N -1.026 118.603 119.600 0.049 0.000 2.229 584 M HA -0.201 4.268 4.480 -0.018 0.000 0.264 584 M C 2.376 178.705 176.300 0.048 0.000 1.063 584 M CA 1.497 56.823 55.300 0.043 0.000 1.114 584 M CB -0.377 32.247 32.600 0.040 0.000 1.387 584 M HN 0.503 nan 8.290 nan 0.000 0.420 585 Q N 0.008 119.838 119.800 0.049 0.000 2.119 585 Q HA -0.083 4.247 4.340 -0.018 0.000 0.201 585 Q C 2.187 178.230 176.000 0.073 0.000 0.972 585 Q CA 1.565 57.414 55.803 0.077 0.000 0.847 585 Q CB -0.234 28.537 28.738 0.054 0.000 0.903 585 Q HN 0.572 nan 8.270 nan 0.000 0.433 586 A N 0.850 123.701 122.820 0.051 0.000 2.067 586 A HA -0.115 4.194 4.320 -0.018 0.000 0.219 586 A C 2.075 179.686 177.584 0.045 0.000 1.158 586 A CA 1.460 53.526 52.037 0.047 0.000 0.661 586 A CB -0.258 18.766 19.000 0.040 0.000 0.801 586 A HN 0.390 nan 8.150 nan 0.000 0.452 587 S N -2.017 113.709 115.700 0.045 0.000 2.575 587 S HA 0.385 4.845 4.470 -0.018 0.000 0.215 587 S C 1.336 175.963 174.600 0.043 0.000 0.966 587 S CA 0.920 59.143 58.200 0.038 0.000 0.911 587 S CB -0.314 62.905 63.200 0.032 0.000 0.780 587 S HN 1.823 nan 8.310 nan 0.000 0.514 588 G N 1.292 110.129 108.800 0.060 0.000 2.179 588 G HA2 -0.286 3.664 3.960 -0.018 0.000 0.257 588 G HA3 -0.286 3.664 3.960 -0.018 0.000 0.257 588 G C 0.402 175.342 174.900 0.067 0.000 1.010 588 G CA 0.624 45.768 45.100 0.074 0.000 0.736 588 G HN 0.613 nan 8.290 nan 0.000 0.513 589 E N -0.328 119.904 120.200 0.052 0.000 2.364 589 E HA 0.401 4.741 4.350 -0.018 0.000 0.196 589 E C 1.725 178.334 176.600 0.015 0.000 0.990 589 E CA 0.294 56.712 56.400 0.031 0.000 0.886 589 E CB 0.296 30.010 29.700 0.022 0.000 0.866 589 E HN 0.733 nan 8.360 nan 0.000 0.493 590 A N 1.754 124.584 122.820 0.016 0.000 2.524 590 A HA 0.173 4.483 4.320 -0.018 0.000 0.250 590 A C 0.197 177.693 177.584 -0.147 0.000 1.078 590 A CA -0.080 51.910 52.037 -0.080 0.000 0.761 590 A CB 0.211 19.150 19.000 -0.102 0.000 1.012 590 A HN -0.005 nan 8.150 nan 0.000 0.500 591 V N 4.416 124.204 119.914 -0.209 0.000 2.406 591 V HA 0.277 4.387 4.120 -0.018 0.000 0.272 591 V C -0.378 175.520 176.094 -0.328 0.000 1.043 591 V CA -0.074 62.133 62.300 -0.156 0.000 0.915 591 V CB -0.150 31.610 31.823 -0.104 0.000 0.988 591 V HN 0.746 nan 8.190 nan 0.000 0.466 592 Y N 1.756 122.047 120.300 -0.014 0.000 2.519 592 Y HA 0.323 4.863 4.550 -0.018 0.000 0.324 592 Y C 1.599 177.485 175.900 -0.022 0.000 1.214 592 Y CA -0.337 57.754 58.100 -0.015 0.000 1.260 592 Y CB 0.644 39.096 38.460 -0.014 0.000 1.311 592 Y HN 0.652 nan 8.280 nan 0.000 0.505 593 C N 0.661 120.047 119.300 0.143 0.000 2.363 593 C HA -0.279 4.171 4.460 -0.018 0.000 0.274 593 C C 2.435 177.455 174.990 0.049 0.000 1.183 593 C CA 2.505 61.569 59.018 0.076 0.000 1.771 593 C CB -0.874 26.918 27.740 0.087 0.000 2.059 593 C HN 1.072 nan 8.230 nan 0.000 0.455 594 D N -0.404 120.042 120.400 0.077 0.000 2.371 594 D HA -0.049 4.580 4.640 -0.018 0.000 0.221 594 D C 1.443 177.773 176.300 0.051 0.000 0.986 594 D CA 0.831 54.871 54.000 0.066 0.000 0.899 594 D CB -0.310 40.536 40.800 0.077 0.000 0.902 594 D HN 0.569 nan 8.370 nan 0.000 0.530 595 D N -0.283 120.151 120.400 0.056 0.000 2.347 595 D HA 0.008 4.638 4.640 -0.018 0.000 0.213 595 D C 0.643 176.924 176.300 -0.031 0.000 0.985 595 D CA 0.069 54.090 54.000 0.034 0.000 0.879 595 D CB 0.256 41.102 40.800 0.076 0.000 0.919 595 D HN 0.361 nan 8.370 nan 0.000 0.526 596 I N 2.562 123.085 120.570 -0.079 0.000 2.683 596 I HA 0.001 4.161 4.170 -0.018 0.000 0.286 596 I C -1.906 174.115 176.117 -0.160 0.000 1.175 596 I CA -1.414 59.778 61.300 -0.179 0.000 1.429 596 I CB 0.248 38.058 38.000 -0.316 0.000 1.371 596 I HN -0.310 nan 8.210 nan 0.000 0.569 597 P HA 0.096 nan 4.420 nan 0.000 0.267 597 P C -0.968 176.202 177.300 -0.216 0.000 1.200 597 P CA -0.150 62.851 63.100 -0.165 0.000 0.772 597 P CB 0.471 32.058 31.700 -0.188 0.000 0.855 598 R N 1.682 122.108 120.500 -0.124 0.000 2.410 598 R HA 0.324 4.653 4.340 -0.018 0.000 0.288 598 R C -0.178 176.042 176.300 -0.132 0.000 1.051 598 R CA -0.310 55.733 56.100 -0.095 0.000 1.021 598 R CB 0.015 30.340 30.300 0.041 0.000 1.032 598 R HN 0.448 nan 8.270 nan 0.000 0.481 599 Y N 1.558 121.845 120.300 -0.022 0.000 2.457 599 Y HA -0.126 4.413 4.550 -0.018 0.000 0.341 599 Y C 1.810 177.716 175.900 0.011 0.000 1.240 599 Y CA 0.296 58.390 58.100 -0.010 0.000 1.437 599 Y CB 0.734 39.184 38.460 -0.016 0.000 1.328 599 Y HN 0.714 nan 8.280 nan 0.000 0.588 600 E N 0.303 120.627 120.200 0.207 0.000 2.160 600 E HA -0.271 4.068 4.350 -0.018 0.000 0.195 600 E C 0.612 177.296 176.600 0.140 0.000 0.991 600 E CA 1.595 58.076 56.400 0.134 0.000 0.810 600 E CB -0.299 29.462 29.700 0.102 0.000 0.742 600 E HN 0.694 nan 8.360 nan 0.000 0.466 601 N N 1.078 119.867 118.700 0.148 0.000 2.251 601 N HA 0.005 4.734 4.740 -0.018 0.000 0.217 601 N C -0.465 175.186 175.510 0.234 0.000 1.124 601 N CA -0.111 53.050 53.050 0.186 0.000 0.843 601 N CB 0.239 38.766 38.487 0.067 0.000 1.024 601 N HN 0.238 nan 8.380 nan 0.000 0.501 602 E N 0.952 121.233 120.200 0.136 0.000 2.316 602 E HA 0.251 4.591 4.350 -0.018 0.000 0.275 602 E C -0.472 176.039 176.600 -0.148 0.000 1.029 602 E CA -0.378 56.021 56.400 -0.001 0.000 0.871 602 E CB 0.648 30.312 29.700 -0.059 0.000 1.022 602 E HN 0.234 nan 8.360 nan 0.000 0.418 603 L N 3.424 124.518 121.223 -0.216 0.000 2.376 603 L HA 0.562 4.892 4.340 -0.018 0.000 0.267 603 L C -0.582 175.990 176.870 -0.497 0.000 1.035 603 L CA -1.040 53.676 54.840 -0.206 0.000 0.800 603 L CB 0.744 42.741 42.059 -0.102 0.000 1.290 603 L HN 0.517 nan 8.230 nan 0.000 0.462 604 F N 0.648 120.615 119.950 0.028 0.000 2.551 604 F HA 0.604 5.120 4.527 -0.018 0.000 0.316 604 F C -0.355 175.466 175.800 0.034 0.000 1.089 604 F CA -0.520 57.505 58.000 0.040 0.000 0.915 604 F CB 1.949 40.975 39.000 0.044 0.000 1.186 604 F HN 0.157 nan 8.300 nan 0.000 0.456 605 L N 2.952 124.295 121.223 0.201 0.000 2.346 605 L HA 0.792 5.122 4.340 -0.018 0.000 0.274 605 L C -1.025 175.939 176.870 0.156 0.000 1.007 605 L CA -0.740 54.182 54.840 0.137 0.000 0.818 605 L CB 1.609 43.726 42.059 0.096 0.000 1.284 605 L HN 0.719 nan 8.230 nan 0.000 0.424 606 R N 4.118 124.704 120.500 0.143 0.000 2.513 606 R HA 0.560 4.890 4.340 -0.018 0.000 0.301 606 R C -1.535 174.852 176.300 0.146 0.000 0.968 606 R CA -0.445 55.743 56.100 0.147 0.000 0.872 606 R CB 1.267 31.661 30.300 0.157 0.000 1.177 606 R HN 0.690 nan 8.270 nan 0.000 0.444 607 L N 3.837 125.148 121.223 0.147 0.000 2.456 607 L HA 0.270 4.599 4.340 -0.018 0.000 0.272 607 L C -0.255 176.721 176.870 0.176 0.000 1.189 607 L CA -0.454 54.483 54.840 0.162 0.000 0.846 607 L CB 0.964 43.119 42.059 0.161 0.000 1.111 607 L HN 0.330 nan 8.230 nan 0.000 0.475 608 V N 2.359 122.389 119.914 0.193 0.000 2.398 608 V HA 0.425 4.535 4.120 -0.018 0.000 0.286 608 V C 0.180 176.400 176.094 0.210 0.000 1.026 608 V CA -0.291 62.142 62.300 0.222 0.000 0.868 608 V CB 1.612 33.630 31.823 0.325 0.000 0.982 608 V HN 0.785 nan 8.190 nan 0.000 0.443 609 T N 2.814 117.487 114.554 0.198 0.000 2.900 609 T HA 0.342 4.681 4.350 -0.018 0.000 0.295 609 T C -0.153 174.674 174.700 0.213 0.000 1.044 609 T CA -0.251 61.968 62.100 0.199 0.000 0.995 609 T CB 1.808 70.779 68.868 0.173 0.000 1.072 609 T HN 0.747 nan 8.240 nan 0.000 0.473 610 S N 0.987 116.826 115.700 0.232 0.000 2.560 610 S HA 0.137 4.596 4.470 -0.018 0.000 0.284 610 S C 1.384 176.073 174.600 0.148 0.000 1.327 610 S CA 0.302 58.652 58.200 0.250 0.000 1.055 610 S CB 0.296 63.641 63.200 0.242 0.000 0.868 610 S HN 0.877 nan 8.310 nan 0.000 0.506 611 T N 2.507 117.107 114.554 0.076 0.000 3.092 611 T HA 0.369 4.708 4.350 -0.018 0.000 0.258 611 T C 0.314 174.901 174.700 -0.187 0.000 1.031 611 T CA -0.476 61.611 62.100 -0.022 0.000 0.925 611 T CB 0.049 68.942 68.868 0.043 0.000 1.036 611 T HN 0.426 nan 8.240 nan 0.000 0.544 612 R N 0.359 120.663 120.500 -0.326 0.000 2.711 612 R HA 0.771 5.101 4.340 -0.018 0.000 0.284 612 R C 1.066 177.310 176.300 -0.094 0.000 0.968 612 R CA -0.211 55.708 56.100 -0.302 0.000 0.924 612 R CB 1.352 31.314 30.300 -0.563 0.000 1.162 612 R HN 0.146 nan 8.270 nan 0.000 0.465 613 A N 1.120 123.916 122.820 -0.041 0.000 1.930 613 A HA -0.129 4.181 4.320 -0.018 0.000 0.217 613 A C 0.256 177.908 177.584 0.113 0.000 1.175 613 A CA 1.583 53.634 52.037 0.022 0.000 0.627 613 A CB -0.193 18.809 19.000 0.004 0.000 0.815 613 A HN 0.643 nan 8.150 nan 0.000 0.443 614 H N -2.140 116.915 119.070 -0.026 0.000 3.179 614 H HA 0.616 5.162 4.556 -0.017 0.000 0.331 614 H C -0.984 174.349 175.328 0.010 0.000 1.013 614 H CA -0.455 55.599 56.048 0.011 0.000 1.430 614 H CB 0.824 30.587 29.762 0.001 0.000 1.895 614 H HN 0.516 nan 8.280 nan 0.000 0.468 615 A N 3.756 126.600 122.820 0.039 0.000 2.599 615 A HA 0.521 4.830 4.320 -0.018 0.000 0.294 615 A C -1.371 176.255 177.584 0.069 0.000 1.055 615 A CA -0.896 51.139 52.037 -0.003 0.000 0.683 615 A CB 1.371 20.406 19.000 0.059 0.000 1.278 615 A HN 0.556 nan 8.150 nan 0.000 0.412 616 K N 1.084 121.510 120.400 0.044 0.000 2.270 616 K HA 0.582 4.892 4.320 -0.018 0.000 0.276 616 K C -0.925 175.739 176.600 0.106 0.000 1.023 616 K CA 0.069 56.393 56.287 0.061 0.000 0.955 616 K CB 0.211 32.722 32.500 0.018 0.000 0.975 616 K HN 0.482 nan 8.250 nan 0.000 0.471 617 I N 5.297 125.907 120.570 0.065 0.000 2.337 617 I HA 0.104 4.263 4.170 -0.018 0.000 0.291 617 I C 1.227 177.316 176.117 -0.046 0.000 1.046 617 I CA -0.094 61.197 61.300 -0.015 0.000 1.324 617 I CB 1.137 39.120 38.000 -0.028 0.000 1.409 617 I HN 0.804 nan 8.210 nan 0.000 0.494 618 K N 4.521 124.871 120.400 -0.084 0.000 2.202 618 K HA 0.081 4.391 4.320 -0.018 0.000 0.201 618 K C 0.297 176.844 176.600 -0.088 0.000 1.051 618 K CA 0.645 56.892 56.287 -0.066 0.000 0.977 618 K CB 0.435 32.904 32.500 -0.052 0.000 0.792 618 K HN 0.752 nan 8.250 nan 0.000 0.469 619 S N -0.641 114.975 115.700 -0.140 0.000 2.565 619 S HA 0.432 4.891 4.470 -0.018 0.000 0.274 619 S C -1.035 173.453 174.600 -0.187 0.000 1.144 619 S CA -1.100 57.018 58.200 -0.136 0.000 0.849 619 S CB 1.064 64.194 63.200 -0.117 0.000 1.103 619 S HN 0.096 nan 8.310 nan 0.000 0.455 620 I N 1.903 122.369 120.570 -0.174 0.000 2.439 620 I HA 0.418 4.577 4.170 -0.018 0.000 0.285 620 I C -1.318 174.640 176.117 -0.265 0.000 1.021 620 I CA -0.309 60.849 61.300 -0.238 0.000 1.091 620 I CB 1.790 39.648 38.000 -0.237 0.000 1.242 620 I HN 0.669 nan 8.210 nan 0.000 0.439 621 D N 5.589 125.829 120.400 -0.267 0.000 2.349 621 D HA 0.319 4.948 4.640 -0.018 0.000 0.232 621 D C 0.476 176.599 176.300 -0.295 0.000 1.071 621 D CA -0.339 53.518 54.000 -0.239 0.000 0.832 621 D CB 1.967 42.661 40.800 -0.177 0.000 1.086 621 D HN 0.334 nan 8.370 nan 0.000 0.504 622 V N 1.225 120.954 119.914 -0.308 0.000 3.427 622 V HA 0.188 4.297 4.120 -0.018 0.000 0.305 622 V C 1.567 177.483 176.094 -0.296 0.000 1.412 622 V CA 0.053 62.148 62.300 -0.341 0.000 1.086 622 V CB 0.183 31.787 31.823 -0.366 0.000 0.964 622 V HN 0.334 nan 8.190 nan 0.000 0.439 623 S N 1.513 117.078 115.700 -0.224 0.000 2.365 623 S HA -0.180 4.279 4.470 -0.018 0.000 0.225 623 S C 1.927 176.402 174.600 -0.207 0.000 1.039 623 S CA 2.286 60.372 58.200 -0.190 0.000 1.033 623 S CB -0.221 62.897 63.200 -0.137 0.000 0.887 623 S HN 0.775 nan 8.310 nan 0.000 0.447 624 E N 1.136 121.220 120.200 -0.193 0.000 2.158 624 E HA 0.057 4.396 4.350 -0.018 0.000 0.191 624 E C 2.353 178.822 176.600 -0.218 0.000 0.982 624 E CA 0.846 57.145 56.400 -0.169 0.000 0.823 624 E CB -0.448 29.177 29.700 -0.124 0.000 0.766 624 E HN 0.487 nan 8.360 nan 0.000 0.468 625 A N 1.604 124.252 122.820 -0.287 0.000 1.940 625 A HA -0.246 4.064 4.320 -0.018 0.000 0.219 625 A C 2.094 179.218 177.584 -0.766 0.000 1.176 625 A CA 1.494 53.300 52.037 -0.385 0.000 0.631 625 A CB -0.570 18.227 19.000 -0.338 0.000 0.814 625 A HN 0.209 nan 8.150 nan 0.000 0.446 626 Q N -0.556 118.727 119.800 -0.861 0.000 2.364 626 Q HA -0.107 4.223 4.340 -0.018 0.000 0.209 626 Q C 1.408 177.205 176.000 -0.339 0.000 0.977 626 Q CA 1.278 56.593 55.803 -0.813 0.000 0.885 626 Q CB -0.098 28.358 28.738 -0.469 0.000 0.941 626 Q HN 0.655 nan 8.270 nan 0.000 0.464 627 K N -0.070 120.181 120.400 -0.248 0.000 2.444 627 K HA 0.097 4.406 4.320 -0.018 0.000 0.193 627 K C -0.132 176.409 176.600 -0.099 0.000 1.024 627 K CA -0.058 56.150 56.287 -0.131 0.000 1.077 627 K CB 0.696 33.132 32.500 -0.106 0.000 0.833 627 K HN -0.054 nan 8.250 nan 0.000 0.517 628 V N 4.005 123.855 119.914 -0.108 0.000 2.508 628 V HA 0.067 4.177 4.120 -0.018 0.000 0.281 628 V C -2.170 173.871 176.094 -0.088 0.000 1.041 628 V CA -1.762 60.499 62.300 -0.065 0.000 1.016 628 V CB 0.357 32.183 31.823 0.006 0.000 0.984 628 V HN 0.047 nan 8.190 nan 0.000 0.478 629 P HA 0.123 nan 4.420 nan 0.000 0.263 629 P C 0.995 178.073 177.300 -0.370 0.000 1.175 629 P CA 1.446 64.381 63.100 -0.275 0.000 0.761 629 P CB 0.424 31.904 31.700 -0.368 0.000 0.794 630 G N 2.035 110.770 108.800 -0.108 0.000 2.162 630 G HA2 -0.308 3.641 3.960 -0.018 0.000 0.260 630 G HA3 -0.308 3.641 3.960 -0.018 0.000 0.260 630 G C 0.122 175.080 174.900 0.097 0.000 0.976 630 G CA -0.331 44.782 45.100 0.022 0.000 0.655 630 G HN 0.558 nan 8.290 nan 0.000 0.533 631 F N 0.818 120.750 119.950 -0.030 0.000 2.578 631 F HA 0.411 4.928 4.527 -0.018 0.000 0.376 631 F C 1.313 177.122 175.800 0.016 0.000 1.085 631 F CA 0.817 58.825 58.000 0.014 0.000 1.260 631 F CB 0.973 39.975 39.000 0.002 0.000 1.095 631 F HN -0.084 nan 8.300 nan 0.000 0.573 632 V N 4.515 124.008 119.914 -0.702 0.000 2.735 632 V HA 0.087 4.197 4.120 -0.018 0.000 0.234 632 V C 0.367 176.059 176.094 -0.670 0.000 1.121 632 V CA 1.075 63.085 62.300 -0.483 0.000 1.160 632 V CB 0.449 32.081 31.823 -0.317 0.000 0.908 632 V HN 1.014 nan 8.190 nan 0.000 0.495 633 C N -1.927 116.797 119.300 -0.959 0.000 3.312 633 C HA 0.702 5.152 4.460 -0.018 0.000 0.332 633 C C -1.217 173.612 174.990 -0.267 0.000 1.340 633 C CA -1.342 57.375 59.018 -0.502 0.000 1.265 633 C CB 0.858 28.491 27.740 -0.179 0.000 1.563 633 C HN 0.310 nan 8.230 nan 0.000 0.471 634 F N 1.777 121.747 119.950 0.033 0.000 2.436 634 F HA 0.815 5.331 4.527 -0.018 0.000 0.340 634 F C -0.665 175.103 175.800 -0.053 0.000 1.113 634 F CA -1.052 56.982 58.000 0.056 0.000 1.022 634 F CB 0.908 40.002 39.000 0.157 0.000 1.128 634 F HN 0.670 nan 8.300 nan 0.000 0.466 635 L N 5.826 126.540 121.223 -0.847 0.000 2.317 635 L HA 0.631 4.961 4.340 -0.018 0.000 0.281 635 L C -0.435 175.695 176.870 -1.234 0.000 1.024 635 L CA -0.409 53.991 54.840 -0.732 0.000 0.810 635 L CB 1.705 43.459 42.059 -0.508 0.000 1.240 635 L HN 0.688 nan 8.230 nan 0.000 0.427 636 S N 0.461 115.732 115.700 -0.716 0.000 2.806 636 S HA 0.542 5.001 4.470 -0.018 0.000 0.306 636 S C 0.794 175.279 174.600 -0.191 0.000 1.167 636 S CA -0.158 57.694 58.200 -0.580 0.000 0.847 636 S CB 1.530 64.663 63.200 -0.111 0.000 1.216 636 S HN 0.635 nan 8.310 nan 0.000 0.532 637 A N 0.902 123.749 122.820 0.046 0.000 1.948 637 A HA -0.169 4.140 4.320 -0.018 0.000 0.220 637 A C 1.405 179.054 177.584 0.109 0.000 1.177 637 A CA 2.023 54.174 52.037 0.190 0.000 0.636 637 A CB -0.991 18.099 19.000 0.150 0.000 0.815 637 A HN 0.761 nan 8.150 nan 0.000 0.449 638 D N 0.245 120.682 120.400 0.062 0.000 2.263 638 D HA -0.104 4.525 4.640 -0.018 0.000 0.208 638 D C 0.911 177.247 176.300 0.060 0.000 0.971 638 D CA 1.064 55.096 54.000 0.054 0.000 0.867 638 D CB -0.302 40.526 40.800 0.046 0.000 0.929 638 D HN 0.481 nan 8.370 nan 0.000 0.492 639 D N 0.093 120.531 120.400 0.063 0.000 2.347 639 D HA 0.034 4.663 4.640 -0.018 0.000 0.213 639 D C 0.837 177.207 176.300 0.116 0.000 0.985 639 D CA 0.010 54.061 54.000 0.085 0.000 0.879 639 D CB 0.832 41.664 40.800 0.053 0.000 0.919 639 D HN 0.268 nan 8.370 nan 0.000 0.526 640 I N 3.468 124.098 120.570 0.100 0.000 2.517 640 I HA -0.022 4.137 4.170 -0.018 0.000 0.285 640 I C -0.901 175.209 176.117 -0.012 0.000 1.106 640 I CA -1.032 60.294 61.300 0.044 0.000 1.402 640 I CB 1.132 39.159 38.000 0.045 0.000 1.399 640 I HN -0.161 nan 8.210 nan 0.000 0.535 641 P HA 0.016 nan 4.420 nan 0.000 0.227 641 P C 0.916 178.157 177.300 -0.100 0.000 1.161 641 P CA 0.733 63.769 63.100 -0.107 0.000 0.788 641 P CB 0.562 32.090 31.700 -0.287 0.000 0.822 642 G N -0.355 108.371 108.800 -0.124 0.000 2.529 642 G HA2 0.229 4.179 3.960 -0.018 0.000 0.220 642 G HA3 0.229 4.179 3.960 -0.018 0.000 0.220 642 G C -0.308 174.552 174.900 -0.067 0.000 1.976 642 G CA 0.233 45.277 45.100 -0.094 0.000 0.789 642 G HN 0.345 nan 8.290 nan 0.000 0.695 643 S N -0.577 115.077 115.700 -0.077 0.000 2.526 643 S HA 0.407 4.867 4.470 -0.018 0.000 0.293 643 S C -0.182 174.373 174.600 -0.074 0.000 1.092 643 S CA -0.614 57.546 58.200 -0.067 0.000 0.980 643 S CB 1.791 64.945 63.200 -0.076 0.000 1.048 643 S HN 0.259 nan 8.310 nan 0.000 0.483 644 N N 2.543 121.212 118.700 -0.052 0.000 2.270 644 N HA 0.113 4.843 4.740 -0.018 0.000 0.198 644 N C -0.139 175.329 175.510 -0.070 0.000 1.117 644 N CA -0.007 53.012 53.050 -0.051 0.000 0.845 644 N CB 0.292 38.781 38.487 0.003 0.000 0.980 644 N HN 0.767 nan 8.380 nan 0.000 0.486 645 E N -0.056 120.092 120.200 -0.088 0.000 2.156 645 E HA 0.298 4.637 4.350 -0.018 0.000 0.279 645 E C -0.890 175.594 176.600 -0.194 0.000 0.965 645 E CA -0.228 56.111 56.400 -0.102 0.000 0.789 645 E CB 0.987 30.643 29.700 -0.073 0.000 1.098 645 E HN 0.054 nan 8.360 nan 0.000 0.397 646 T N 2.139 116.553 114.554 -0.233 0.000 2.647 646 T HA 0.718 5.058 4.350 -0.018 0.000 0.295 646 T C -0.669 173.792 174.700 -0.399 0.000 1.126 646 T CA 0.459 62.291 62.100 -0.447 0.000 1.040 646 T CB 1.142 69.762 68.868 -0.414 0.000 1.472 646 T HN 0.952 nan 8.240 nan 0.000 0.500 647 G N 0.575 109.015 108.800 -0.600 0.000 2.699 647 G HA2 -0.021 3.928 3.960 -0.018 0.000 0.686 647 G HA3 -0.021 3.928 3.960 -0.018 0.000 0.686 647 G C 0.219 175.078 174.900 -0.069 0.000 1.301 647 G CA -0.164 44.843 45.100 -0.155 0.000 0.816 647 G HN 0.993 nan 8.290 nan 0.000 0.595 648 L N -0.029 121.276 121.223 0.137 0.000 2.079 648 L HA 0.215 4.544 4.340 -0.018 0.000 0.210 648 L C 2.064 178.674 176.870 -0.433 0.000 1.081 648 L CA 2.250 57.059 54.840 -0.051 0.000 0.752 648 L CB -0.656 41.316 42.059 -0.145 0.000 0.896 648 L HN 0.558 nan 8.230 nan 0.000 0.433 649 F N -0.734 119.241 119.950 0.041 0.000 2.708 649 F HA 0.276 4.792 4.527 -0.018 0.000 0.300 649 F C 1.017 176.800 175.800 -0.029 0.000 1.118 649 F CA -0.452 57.549 58.000 0.002 0.000 1.307 649 F CB -0.230 38.756 39.000 -0.023 0.000 0.986 649 F HN 0.039 nan 8.300 nan 0.000 0.522 650 N N 1.647 120.357 118.700 0.017 0.000 2.725 650 N HA -0.194 4.535 4.740 -0.018 0.000 0.249 650 N C -0.061 175.453 175.510 0.008 0.000 1.103 650 N CA 1.264 54.291 53.050 -0.037 0.000 0.707 650 N CB -0.899 37.569 38.487 -0.032 0.000 1.043 650 N HN 0.547 nan 8.380 nan 0.000 0.553 651 D N -0.989 119.432 120.400 0.036 0.000 2.440 651 D HA 0.125 4.754 4.640 -0.018 0.000 0.216 651 D C 0.187 176.512 176.300 0.040 0.000 1.150 651 D CA 0.160 54.189 54.000 0.049 0.000 0.832 651 D CB 0.326 41.163 40.800 0.063 0.000 0.992 651 D HN 0.348 nan 8.370 nan 0.000 0.502 652 E N 0.003 120.209 120.200 0.010 0.000 2.299 652 E HA 0.476 4.816 4.350 -0.018 0.000 0.265 652 E C -0.414 176.195 176.600 0.014 0.000 0.911 652 E CA -0.888 55.525 56.400 0.021 0.000 0.789 652 E CB 1.834 31.531 29.700 -0.005 0.000 1.246 652 E HN 0.134 nan 8.360 nan 0.000 0.427 653 T N -2.157 112.441 114.554 0.074 0.000 2.925 653 T HA 0.262 4.601 4.350 -0.018 0.000 0.285 653 T C 1.079 175.760 174.700 -0.030 0.000 1.021 653 T CA -0.825 61.296 62.100 0.034 0.000 1.042 653 T CB 1.379 70.300 68.868 0.087 0.000 1.037 653 T HN 0.155 nan 8.240 nan 0.000 0.481 654 V N 0.463 120.295 119.914 -0.136 0.000 2.237 654 V HA 0.098 4.207 4.120 -0.018 0.000 0.245 654 V C 0.352 176.181 176.094 -0.442 0.000 1.046 654 V CA 1.268 63.362 62.300 -0.343 0.000 1.007 654 V CB -0.725 30.829 31.823 -0.447 0.000 0.638 654 V HN 0.848 nan 8.190 nan 0.000 0.445 655 F N -1.114 118.836 119.950 0.001 0.000 2.529 655 F HA 0.706 5.222 4.527 -0.018 0.000 0.320 655 F C 0.307 176.085 175.800 -0.036 0.000 1.118 655 F CA -0.874 57.116 58.000 -0.016 0.000 0.915 655 F CB 1.209 40.188 39.000 -0.035 0.000 1.161 655 F HN 0.015 nan 8.300 nan 0.000 0.445 656 A N 3.415 126.282 122.820 0.078 0.000 2.531 656 A HA 0.170 4.479 4.320 -0.018 0.000 0.236 656 A C 0.828 178.423 177.584 0.019 0.000 1.062 656 A CA 0.060 52.041 52.037 -0.094 0.000 0.760 656 A CB 0.597 19.370 19.000 -0.379 0.000 0.995 656 A HN 1.026 nan 8.150 nan 0.000 0.501 657 K N 0.183 120.598 120.400 0.025 0.000 2.218 657 K HA 0.045 4.355 4.320 -0.018 0.000 0.214 657 K C 0.420 177.040 176.600 0.032 0.000 1.033 657 K CA 0.728 57.041 56.287 0.043 0.000 0.949 657 K CB 0.204 32.734 32.500 0.050 0.000 0.993 657 K HN 0.736 nan 8.250 nan 0.000 0.464 658 D N -0.013 120.410 120.400 0.038 0.000 2.394 658 D HA -0.002 4.627 4.640 -0.018 0.000 0.226 658 D C 0.341 176.672 176.300 0.052 0.000 0.990 658 D CA 0.734 54.757 54.000 0.039 0.000 0.902 658 D CB 0.845 41.669 40.800 0.041 0.000 1.038 658 D HN 0.366 nan 8.370 nan 0.000 0.499 659 T N -0.774 113.823 114.554 0.072 0.000 2.893 659 T HA 0.568 4.908 4.350 -0.018 0.000 0.291 659 T C -0.224 174.554 174.700 0.129 0.000 1.028 659 T CA -0.888 61.282 62.100 0.117 0.000 0.995 659 T CB 2.427 71.389 68.868 0.158 0.000 1.051 659 T HN -0.115 nan 8.240 nan 0.000 0.470 660 V N 0.710 120.744 119.914 0.201 0.000 2.547 660 V HA 0.805 4.914 4.120 -0.018 0.000 0.299 660 V C 0.743 177.101 176.094 0.439 0.000 1.040 660 V CA -0.148 62.321 62.300 0.283 0.000 0.913 660 V CB 1.127 33.097 31.823 0.245 0.000 0.992 660 V HN 1.199 nan 8.190 nan 0.000 0.449 661 T N -1.299 113.593 114.554 0.564 0.000 3.091 661 T HA 0.388 4.727 4.350 -0.018 0.000 0.277 661 T C 0.276 174.996 174.700 0.033 0.000 0.996 661 T CA 0.390 62.600 62.100 0.184 0.000 0.897 661 T CB -0.640 68.258 68.868 0.050 0.000 1.109 661 T HN 1.602 nan 8.240 nan 0.000 0.534 662 C N -1.575 117.785 119.300 0.101 0.000 3.312 662 C HA 0.684 5.133 4.460 -0.018 0.000 0.332 662 C C 1.315 176.364 174.990 0.098 0.000 1.340 662 C CA -0.725 58.318 59.018 0.042 0.000 1.265 662 C CB 0.830 28.554 27.740 -0.027 0.000 1.563 662 C HN 0.001 nan 8.230 nan 0.000 0.471 663 V N 1.729 121.680 119.914 0.062 0.000 2.546 663 V HA 0.017 4.127 4.120 -0.018 0.000 0.254 663 V C 2.128 178.286 176.094 0.106 0.000 1.076 663 V CA 2.879 65.218 62.300 0.066 0.000 1.087 663 V CB -0.771 31.076 31.823 0.040 0.000 0.674 663 V HN 1.209 nan 8.190 nan 0.000 0.470 664 G N -2.359 106.512 108.800 0.117 0.000 3.805 664 G HA2 0.122 4.072 3.960 -0.018 0.000 0.290 664 G HA3 0.122 4.072 3.960 -0.018 0.000 0.290 664 G C 0.146 175.160 174.900 0.191 0.000 1.077 664 G CA -0.408 44.774 45.100 0.136 0.000 0.852 664 G HN 0.585 nan 8.290 nan 0.000 0.531 665 H N 0.692 119.823 119.070 0.102 0.000 2.929 665 H HA 0.195 4.741 4.556 -0.017 0.000 0.317 665 H C 0.228 175.643 175.328 0.144 0.000 1.031 665 H CA -0.626 55.490 56.048 0.113 0.000 1.466 665 H CB 0.647 30.480 29.762 0.118 0.000 1.482 665 H HN 0.042 nan 8.280 nan 0.000 0.561 666 I N 7.205 128.006 120.570 0.384 0.000 2.517 666 I HA -0.115 4.044 4.170 -0.018 0.000 0.285 666 I C 0.875 177.133 176.117 0.235 0.000 1.106 666 I CA 0.394 61.861 61.300 0.278 0.000 1.402 666 I CB 0.767 38.922 38.000 0.259 0.000 1.399 666 I HN 0.705 nan 8.210 nan 0.000 0.535 667 I N 4.555 125.256 120.570 0.218 0.000 3.339 667 I HA 0.304 4.463 4.170 -0.018 0.000 0.285 667 I C 1.153 177.322 176.117 0.086 0.000 1.201 667 I CA 0.190 61.586 61.300 0.159 0.000 1.434 667 I CB 0.251 38.339 38.000 0.146 0.000 1.152 667 I HN 0.749 nan 8.210 nan 0.000 0.443 668 G N 0.395 109.190 108.800 -0.008 0.000 2.428 668 G HA2 0.727 4.676 3.960 -0.018 0.000 0.304 668 G HA3 0.727 4.676 3.960 -0.018 0.000 0.304 668 G C -2.112 172.519 174.900 -0.449 0.000 1.303 668 G CA 0.094 44.766 45.100 -0.714 0.000 0.825 668 G HN 0.161 nan 8.290 nan 0.000 0.484 669 A N -1.211 121.142 122.820 -0.777 0.000 2.549 669 A HA 0.788 5.097 4.320 -0.018 0.000 0.297 669 A C -1.188 176.250 177.584 -0.244 0.000 1.061 669 A CA -0.475 51.408 52.037 -0.257 0.000 0.690 669 A CB 1.808 20.779 19.000 -0.048 0.000 1.287 669 A HN 1.509 nan 8.150 nan 0.000 0.402 670 V N 1.365 121.321 119.914 0.069 0.000 2.539 670 V HA 0.535 4.645 4.120 -0.018 0.000 0.292 670 V C -0.239 175.873 176.094 0.030 0.000 1.045 670 V CA -0.402 61.987 62.300 0.150 0.000 0.945 670 V CB 1.568 33.594 31.823 0.338 0.000 0.993 670 V HN 0.675 nan 8.190 nan 0.000 0.464 671 V N 3.812 123.659 119.914 -0.110 0.000 2.495 671 V HA 0.928 5.038 4.120 -0.018 0.000 0.298 671 V C 0.218 176.221 176.094 -0.153 0.000 1.031 671 V CA -0.159 62.078 62.300 -0.104 0.000 0.871 671 V CB 1.364 33.099 31.823 -0.147 0.000 0.988 671 V HN 1.091 nan 8.190 nan 0.000 0.432 672 A N 2.859 125.693 122.820 0.023 0.000 2.583 672 A HA 0.696 5.005 4.320 -0.018 0.000 0.289 672 A C 0.445 178.150 177.584 0.201 0.000 1.151 672 A CA -0.048 52.035 52.037 0.077 0.000 0.695 672 A CB 1.429 20.536 19.000 0.178 0.000 1.290 672 A HN 0.748 nan 8.150 nan 0.000 0.419 673 D N -0.408 120.122 120.400 0.217 0.000 2.317 673 D HA 0.034 4.663 4.640 -0.018 0.000 0.211 673 D C 0.667 177.174 176.300 0.344 0.000 0.966 673 D CA 1.669 55.830 54.000 0.267 0.000 0.876 673 D CB -0.190 40.733 40.800 0.205 0.000 0.927 673 D HN 0.749 nan 8.370 nan 0.000 0.519 674 T N -4.582 110.071 114.554 0.166 0.000 2.896 674 T HA 0.417 4.756 4.350 -0.018 0.000 0.297 674 T C -2.416 172.013 174.700 -0.451 0.000 1.108 674 T CA -1.546 60.348 62.100 -0.345 0.000 1.004 674 T CB 2.808 71.433 68.868 -0.404 0.000 1.159 674 T HN -0.350 nan 8.240 nan 0.000 0.499 675 P HA -0.016 nan 4.420 nan 0.000 0.219 675 P C 0.950 178.148 177.300 -0.170 0.000 1.150 675 P CA 1.087 63.959 63.100 -0.380 0.000 0.814 675 P CB 0.229 31.689 31.700 -0.401 0.000 0.787 676 E N -0.789 119.268 120.200 -0.238 0.000 2.051 676 E HA -0.197 4.142 4.350 -0.018 0.000 0.192 676 E C 2.205 178.794 176.600 -0.018 0.000 0.991 676 E CA 1.216 57.526 56.400 -0.149 0.000 0.799 676 E CB -0.917 28.642 29.700 -0.236 0.000 0.748 676 E HN 0.396 nan 8.360 nan 0.000 0.449 677 H N -0.132 118.933 119.070 -0.008 0.000 2.353 677 H HA 0.053 4.598 4.556 -0.018 0.000 0.300 677 H C 1.992 177.379 175.328 0.099 0.000 1.090 677 H CA 1.318 57.398 56.048 0.053 0.000 1.327 677 H CB -0.700 29.100 29.762 0.063 0.000 1.383 677 H HN 0.235 nan 8.280 nan 0.000 0.508 678 A N 0.971 123.916 122.820 0.207 0.000 1.883 678 A HA -0.231 4.078 4.320 -0.018 0.000 0.217 678 A C 2.399 180.092 177.584 0.181 0.000 1.186 678 A CA 1.897 54.052 52.037 0.196 0.000 0.624 678 A CB -0.539 18.568 19.000 0.178 0.000 0.822 678 A HN 0.536 nan 8.150 nan 0.000 0.444 679 E N -0.410 119.870 120.200 0.134 0.000 2.058 679 E HA -0.238 4.102 4.350 -0.018 0.000 0.194 679 E C 2.337 179.028 176.600 0.151 0.000 0.997 679 E CA 1.253 57.726 56.400 0.122 0.000 0.801 679 E CB -0.135 29.606 29.700 0.069 0.000 0.746 679 E HN 0.559 nan 8.360 nan 0.000 0.450 680 R N -0.125 120.466 120.500 0.152 0.000 2.083 680 R HA -0.154 4.175 4.340 -0.018 0.000 0.237 680 R C 2.433 178.836 176.300 0.172 0.000 1.137 680 R CA 1.236 57.432 56.100 0.160 0.000 0.951 680 R CB -0.427 29.971 30.300 0.163 0.000 0.851 680 R HN 0.209 nan 8.270 nan 0.000 0.434 681 A N 1.170 124.102 122.820 0.187 0.000 1.902 681 A HA -0.083 4.226 4.320 -0.018 0.000 0.217 681 A C 2.379 180.067 177.584 0.174 0.000 1.181 681 A CA 1.640 53.785 52.037 0.180 0.000 0.623 681 A CB -0.563 18.633 19.000 0.328 0.000 0.818 681 A HN 0.408 nan 8.150 nan 0.000 0.443 682 A N -1.054 121.893 122.820 0.212 0.000 1.933 682 A HA -0.191 4.119 4.320 -0.018 0.000 0.218 682 A C 1.998 179.681 177.584 0.164 0.000 1.175 682 A CA 2.092 54.250 52.037 0.203 0.000 0.628 682 A CB -0.852 18.273 19.000 0.209 0.000 0.814 682 A HN 0.737 nan 8.150 nan 0.000 0.444 683 H N -0.317 118.805 119.070 0.086 0.000 2.456 683 H HA -0.026 4.520 4.556 -0.018 0.000 0.296 683 H C 1.352 176.702 175.328 0.037 0.000 1.079 683 H CA 1.807 57.893 56.048 0.063 0.000 1.322 683 H CB 0.022 29.818 29.762 0.056 0.000 1.388 683 H HN 0.188 nan 8.280 nan 0.000 0.538 684 V N 0.198 120.069 119.914 -0.072 0.000 3.649 684 V HA 0.064 4.173 4.120 -0.018 0.000 0.275 684 V C 0.559 176.562 176.094 -0.150 0.000 1.281 684 V CA 0.104 62.321 62.300 -0.139 0.000 1.143 684 V CB 0.145 31.929 31.823 -0.065 0.000 0.892 684 V HN 0.064 nan 8.190 nan 0.000 0.441 685 V N 2.018 121.859 119.914 -0.121 0.000 2.485 685 V HA 0.109 4.219 4.120 -0.018 0.000 0.287 685 V C 0.276 176.272 176.094 -0.163 0.000 1.022 685 V CA 0.054 62.256 62.300 -0.163 0.000 1.067 685 V CB 0.441 32.189 31.823 -0.125 0.000 0.967 685 V HN 0.428 nan 8.190 nan 0.000 0.479 686 K N 4.065 124.352 120.400 -0.188 0.000 2.213 686 K HA 0.628 4.938 4.320 -0.018 0.000 0.270 686 K C -0.846 175.637 176.600 -0.195 0.000 1.002 686 K CA -0.312 55.879 56.287 -0.161 0.000 0.868 686 K CB 1.836 34.249 32.500 -0.144 0.000 1.093 686 K HN 0.480 nan 8.250 nan 0.000 0.454 687 V N 2.362 122.154 119.914 -0.202 0.000 2.513 687 V HA 0.423 4.533 4.120 -0.018 0.000 0.299 687 V C -0.280 175.528 176.094 -0.477 0.000 1.035 687 V CA -0.838 61.232 62.300 -0.382 0.000 0.889 687 V CB 1.983 33.514 31.823 -0.487 0.000 0.988 687 V HN 0.759 nan 8.190 nan 0.000 0.440 688 T N 4.228 118.497 114.554 -0.475 0.000 2.797 688 T HA 0.707 5.047 4.350 -0.018 0.000 0.279 688 T C -1.050 173.416 174.700 -0.391 0.000 0.991 688 T CA -0.191 61.716 62.100 -0.322 0.000 0.979 688 T CB 0.793 69.570 68.868 -0.152 0.000 0.943 688 T HN 0.472 nan 8.240 nan 0.000 0.444 689 Y N 0.710 121.004 120.300 -0.011 0.000 2.598 689 Y HA 0.576 5.115 4.550 -0.017 0.000 0.340 689 Y C 0.388 176.279 175.900 -0.014 0.000 1.038 689 Y CA -1.219 56.876 58.100 -0.008 0.000 1.100 689 Y CB 1.690 40.151 38.460 0.001 0.000 1.281 689 Y HN 0.537 nan 8.280 nan 0.000 0.488 690 E N 1.687 121.985 120.200 0.163 0.000 2.220 690 E HA 0.197 4.537 4.350 -0.018 0.000 0.256 690 E C -1.576 175.046 176.600 0.035 0.000 0.881 690 E CA -0.783 55.660 56.400 0.072 0.000 0.766 690 E CB 0.850 30.567 29.700 0.029 0.000 1.187 690 E HN 0.575 nan 8.360 nan 0.000 0.419 691 D N 3.591 123.998 120.400 0.012 0.000 2.443 691 D HA 0.186 4.816 4.640 -0.018 0.000 0.239 691 D C -0.110 176.142 176.300 -0.080 0.000 1.136 691 D CA 0.520 54.499 54.000 -0.035 0.000 0.879 691 D CB 0.797 41.579 40.800 -0.029 0.000 1.195 691 D HN 0.409 nan 8.370 nan 0.000 0.443 692 L N 2.552 123.684 121.223 -0.151 0.000 2.323 692 L HA 0.403 4.732 4.340 -0.018 0.000 0.265 692 L C -2.240 174.581 176.870 -0.082 0.000 1.012 692 L CA -2.126 52.581 54.840 -0.221 0.000 0.820 692 L CB 1.727 43.419 42.059 -0.612 0.000 1.334 692 L HN 0.100 nan 8.230 nan 0.000 0.427 693 P HA 0.121 nan 4.420 nan 0.000 0.263 693 P C -1.069 176.327 177.300 0.160 0.000 1.195 693 P CA 0.074 63.205 63.100 0.052 0.000 0.762 693 P CB 0.681 32.403 31.700 0.036 0.000 0.799 694 A N 3.982 126.857 122.820 0.092 0.000 2.337 694 A HA 0.738 5.047 4.320 -0.018 0.000 0.331 694 A C -0.560 177.014 177.584 -0.017 0.000 1.137 694 A CA -0.758 51.319 52.037 0.068 0.000 0.807 694 A CB 0.784 19.815 19.000 0.052 0.000 1.250 694 A HN 0.480 nan 8.150 nan 0.000 0.468 695 I N 2.126 122.654 120.570 -0.070 0.000 2.410 695 I HA 0.334 4.494 4.170 -0.018 0.000 0.286 695 I C -0.055 175.992 176.117 -0.116 0.000 1.009 695 I CA 0.053 61.291 61.300 -0.103 0.000 1.111 695 I CB 1.613 39.528 38.000 -0.141 0.000 1.262 695 I HN 0.693 nan 8.210 nan 0.000 0.443 696 I N 2.900 123.404 120.570 -0.111 0.000 3.812 696 I HA 0.034 4.194 4.170 -0.018 0.000 0.292 696 I C 1.066 177.099 176.117 -0.139 0.000 1.206 696 I CA 0.451 61.669 61.300 -0.136 0.000 1.370 696 I CB 0.654 38.576 38.000 -0.131 0.000 1.328 696 I HN 0.596 nan 8.210 nan 0.000 0.453 697 T N -1.329 113.159 114.554 -0.109 0.000 2.918 697 T HA 0.413 4.753 4.350 -0.018 0.000 0.283 697 T C 1.247 175.905 174.700 -0.070 0.000 1.001 697 T CA -0.520 61.529 62.100 -0.087 0.000 1.041 697 T CB 1.655 70.473 68.868 -0.084 0.000 1.028 697 T HN 0.043 nan 8.240 nan 0.000 0.511 698 I N 0.622 121.182 120.570 -0.018 0.000 2.208 698 I HA -0.196 3.964 4.170 -0.018 0.000 0.245 698 I C 2.580 178.653 176.117 -0.073 0.000 1.097 698 I CA 1.542 62.842 61.300 -0.001 0.000 1.363 698 I CB -0.441 37.619 38.000 0.101 0.000 1.051 698 I HN 0.698 nan 8.210 nan 0.000 0.413 699 E N 0.923 121.077 120.200 -0.077 0.000 2.058 699 E HA -0.233 4.107 4.350 -0.018 0.000 0.194 699 E C 1.813 178.350 176.600 -0.105 0.000 0.997 699 E CA 1.387 57.729 56.400 -0.096 0.000 0.801 699 E CB -0.336 29.318 29.700 -0.077 0.000 0.746 699 E HN 0.387 nan 8.360 nan 0.000 0.450 700 D N -0.015 120.324 120.400 -0.101 0.000 2.106 700 D HA -0.202 4.428 4.640 -0.018 0.000 0.191 700 D C 1.839 178.043 176.300 -0.159 0.000 0.997 700 D CA 1.786 55.719 54.000 -0.111 0.000 0.834 700 D CB -0.430 40.307 40.800 -0.104 0.000 0.956 700 D HN 0.231 nan 8.370 nan 0.000 0.448 701 A N 0.495 123.198 122.820 -0.195 0.000 1.902 701 A HA -0.131 4.178 4.320 -0.018 0.000 0.217 701 A C 2.457 179.777 177.584 -0.440 0.000 1.181 701 A CA 0.949 52.790 52.037 -0.326 0.000 0.623 701 A CB -0.720 18.096 19.000 -0.308 0.000 0.818 701 A HN 0.212 nan 8.150 nan 0.000 0.443 702 I N -0.396 120.015 120.570 -0.266 0.000 2.163 702 I HA -0.286 3.873 4.170 -0.018 0.000 0.243 702 I C 2.579 178.629 176.117 -0.112 0.000 1.085 702 I CA 1.914 63.137 61.300 -0.128 0.000 1.347 702 I CB -0.246 37.676 38.000 -0.129 0.000 1.044 702 I HN 0.352 nan 8.210 nan 0.000 0.408 703 K N 0.790 121.120 120.400 -0.117 0.000 2.209 703 K HA -0.153 4.157 4.320 -0.018 0.000 0.204 703 K C 1.299 177.841 176.600 -0.095 0.000 1.048 703 K CA 1.264 57.501 56.287 -0.082 0.000 0.940 703 K CB -0.032 32.424 32.500 -0.074 0.000 0.729 703 K HN 0.409 nan 8.250 nan 0.000 0.451 704 N N 1.080 119.686 118.700 -0.157 0.000 2.236 704 N HA -0.070 4.659 4.740 -0.018 0.000 0.196 704 N C -0.386 175.003 175.510 -0.202 0.000 1.114 704 N CA 0.072 53.028 53.050 -0.157 0.000 0.859 704 N CB 0.201 38.590 38.487 -0.164 0.000 0.982 704 N HN 0.188 nan 8.380 nan 0.000 0.493 705 N N 0.995 119.538 118.700 -0.261 0.000 2.725 705 N HA -0.193 4.537 4.740 -0.018 0.000 0.251 705 N C -1.149 174.052 175.510 -0.516 0.000 1.031 705 N CA 0.334 53.218 53.050 -0.277 0.000 0.720 705 N CB -1.304 37.179 38.487 -0.006 0.000 0.930 705 N HN -0.002 nan 8.380 nan 0.000 0.543 706 S N 1.274 116.435 115.700 -0.898 0.000 2.512 706 S HA 0.630 5.090 4.470 -0.018 0.000 0.291 706 S C -0.836 173.272 174.600 -0.820 0.000 1.151 706 S CA -0.542 57.269 58.200 -0.648 0.000 1.120 706 S CB -0.259 62.668 63.200 -0.454 0.000 1.029 706 S HN 0.301 nan 8.310 nan 0.000 0.485 707 F N 2.382 122.217 119.950 -0.191 0.000 2.588 707 F HA 0.459 4.975 4.527 -0.018 0.000 0.314 707 F C -0.642 175.010 175.800 -0.248 0.000 1.069 707 F CA -1.257 56.634 58.000 -0.181 0.000 0.931 707 F CB 1.423 40.396 39.000 -0.045 0.000 1.260 707 F HN 0.318 nan 8.300 nan 0.000 0.465 708 Y N 1.458 121.872 120.300 0.190 0.000 2.383 708 Y HA 0.484 5.023 4.550 -0.018 0.000 0.344 708 Y C 0.854 176.784 175.900 0.049 0.000 0.986 708 Y CA 0.084 58.228 58.100 0.073 0.000 1.175 708 Y CB 0.852 39.326 38.460 0.024 0.000 1.152 708 Y HN 0.891 nan 8.280 nan 0.000 0.511 709 G N 2.089 110.990 108.800 0.168 0.000 2.697 709 G HA2 -0.193 3.756 3.960 -0.018 0.000 0.240 709 G HA3 -0.193 3.756 3.960 -0.018 0.000 0.240 709 G C -0.189 174.737 174.900 0.043 0.000 1.346 709 G CA -0.344 44.797 45.100 0.069 0.000 0.887 709 G HN 0.894 nan 8.290 nan 0.000 0.569 710 S N -1.151 114.546 115.700 -0.005 0.000 2.718 710 S HA 0.691 5.151 4.470 -0.018 0.000 0.292 710 S C 0.166 174.709 174.600 -0.095 0.000 1.125 710 S CA 0.209 58.381 58.200 -0.046 0.000 1.013 710 S CB 1.750 64.929 63.200 -0.035 0.000 1.192 710 S HN 1.012 nan 8.310 nan 0.000 0.535 711 E N -0.012 120.113 120.200 -0.124 0.000 2.344 711 E HA 0.239 4.579 4.350 -0.018 0.000 0.270 711 E C -1.020 175.504 176.600 -0.128 0.000 1.021 711 E CA -0.223 56.085 56.400 -0.153 0.000 0.887 711 E CB 0.330 29.947 29.700 -0.139 0.000 0.997 711 E HN 0.428 nan 8.360 nan 0.000 0.429 712 L N 4.513 125.635 121.223 -0.168 0.000 2.334 712 L HA 0.423 4.753 4.340 -0.018 0.000 0.277 712 L C 0.091 176.913 176.870 -0.081 0.000 1.075 712 L CA -0.186 54.529 54.840 -0.208 0.000 0.804 712 L CB 1.114 42.963 42.059 -0.350 0.000 1.174 712 L HN 0.490 nan 8.230 nan 0.000 0.438 713 K N 3.715 124.137 120.400 0.036 0.000 2.523 713 K HA 0.610 4.920 4.320 -0.018 0.000 0.257 713 K C -1.753 175.020 176.600 0.288 0.000 0.932 713 K CA -0.568 55.801 56.287 0.137 0.000 0.812 713 K CB 2.121 34.677 32.500 0.092 0.000 1.326 713 K HN 0.487 nan 8.250 nan 0.000 0.433 714 I N 2.495 123.215 120.570 0.250 0.000 2.466 714 I HA 0.352 4.512 4.170 -0.018 0.000 0.289 714 I C -0.865 175.385 176.117 0.222 0.000 1.026 714 I CA -0.659 60.797 61.300 0.260 0.000 1.078 714 I CB 2.156 40.316 38.000 0.266 0.000 1.249 714 I HN 0.648 nan 8.210 nan 0.000 0.429 715 E N 6.253 126.565 120.200 0.188 0.000 2.314 715 E HA 0.532 4.871 4.350 -0.018 0.000 0.272 715 E C -1.484 175.194 176.600 0.129 0.000 0.884 715 E CA -0.852 55.635 56.400 0.146 0.000 0.753 715 E CB 2.681 32.447 29.700 0.111 0.000 1.213 715 E HN 0.489 nan 8.360 nan 0.000 0.432 716 K N 2.628 123.093 120.400 0.108 0.000 2.498 716 K HA 0.599 4.909 4.320 -0.018 0.000 0.254 716 K C -0.278 176.346 176.600 0.041 0.000 0.933 716 K CA 0.170 56.505 56.287 0.080 0.000 0.806 716 K CB 1.651 34.213 32.500 0.103 0.000 1.301 716 K HN 0.748 nan 8.250 nan 0.000 0.432 717 G N 2.278 111.092 108.800 0.024 0.000 2.593 717 G HA2 -0.214 3.736 3.960 -0.018 0.000 0.237 717 G HA3 -0.214 3.736 3.960 -0.018 0.000 0.237 717 G C -1.281 173.620 174.900 0.001 0.000 1.312 717 G CA -0.041 45.059 45.100 0.000 0.000 0.896 717 G HN 0.668 nan 8.290 nan 0.000 0.574 718 D N 0.256 120.647 120.400 -0.015 0.000 2.473 718 D HA 0.464 5.094 4.640 -0.018 0.000 0.253 718 D C 1.665 177.954 176.300 -0.018 0.000 1.233 718 D CA -0.503 53.495 54.000 -0.004 0.000 0.908 718 D CB 1.222 42.021 40.800 -0.001 0.000 1.170 718 D HN 0.318 nan 8.370 nan 0.000 0.558 719 L N 2.339 123.569 121.223 0.013 0.000 2.017 719 L HA -0.035 4.294 4.340 -0.018 0.000 0.208 719 L C 1.579 178.524 176.870 0.126 0.000 1.073 719 L CA 0.992 55.849 54.840 0.029 0.000 0.745 719 L CB -0.099 42.045 42.059 0.142 0.000 0.894 719 L HN 0.228 nan 8.230 nan 0.000 0.432 720 K N 0.739 121.222 120.400 0.137 0.000 2.412 720 K HA -0.039 4.270 4.320 -0.018 0.000 0.281 720 K C 0.553 177.188 176.600 0.059 0.000 1.027 720 K CA 0.587 56.948 56.287 0.124 0.000 0.989 720 K CB 0.686 33.232 32.500 0.078 0.000 0.935 720 K HN 0.109 nan 8.250 nan 0.000 0.475 721 K N 1.560 121.990 120.400 0.051 0.000 5.199 721 K HA -0.162 4.148 4.320 -0.018 0.000 0.460 721 K C 1.342 177.924 176.600 -0.029 0.000 0.352 721 K CA 0.960 57.251 56.287 0.007 0.000 1.973 721 K CB -1.801 30.695 32.500 -0.007 0.000 0.539 721 K HN 0.754 nan 8.250 nan 0.000 0.601 722 G N 0.649 109.396 108.800 -0.087 0.000 2.459 722 G HA2 -0.194 3.756 3.960 -0.018 0.000 0.217 722 G HA3 -0.194 3.756 3.960 -0.018 0.000 0.217 722 G C 1.278 176.048 174.900 -0.216 0.000 1.183 722 G CA 1.415 46.394 45.100 -0.203 0.000 0.776 722 G HN 0.306 nan 8.290 nan 0.000 0.552 723 F N 1.384 121.307 119.950 -0.046 0.000 2.234 723 F HA -0.036 4.480 4.527 -0.018 0.000 0.299 723 F C 3.110 178.875 175.800 -0.058 0.000 1.087 723 F CA 1.048 59.014 58.000 -0.056 0.000 1.340 723 F CB 0.036 39.006 39.000 -0.050 0.000 1.031 723 F HN 0.075 nan 8.300 nan 0.000 0.500 724 S N -0.315 115.453 115.700 0.114 0.000 2.368 724 S HA -0.251 4.209 4.470 -0.018 0.000 0.225 724 S C 1.837 176.443 174.600 0.009 0.000 1.030 724 S CA 1.629 59.857 58.200 0.047 0.000 0.999 724 S CB -0.305 62.912 63.200 0.028 0.000 0.844 724 S HN 0.328 nan 8.310 nan 0.000 0.459 725 E N 1.566 121.759 120.200 -0.013 0.000 2.371 725 E HA 0.248 4.588 4.350 -0.018 0.000 0.194 725 E C 0.526 177.098 176.600 -0.046 0.000 1.012 725 E CA 0.237 56.617 56.400 -0.033 0.000 0.860 725 E CB -0.149 29.524 29.700 -0.045 0.000 0.811 725 E HN 0.432 nan 8.360 nan 0.000 0.502 726 A N 0.835 123.625 122.820 -0.049 0.000 2.477 726 A HA 0.070 4.380 4.320 -0.018 0.000 0.246 726 A C 0.584 178.104 177.584 -0.107 0.000 1.078 726 A CA 0.061 52.047 52.037 -0.085 0.000 0.770 726 A CB 0.296 19.254 19.000 -0.071 0.000 1.011 726 A HN 0.179 nan 8.150 nan 0.000 0.494 727 D N 0.734 121.043 120.400 -0.152 0.000 2.162 727 D HA -0.012 4.617 4.640 -0.018 0.000 0.203 727 D C 0.061 176.214 176.300 -0.245 0.000 0.967 727 D CA 1.253 55.160 54.000 -0.155 0.000 0.840 727 D CB 0.138 40.868 40.800 -0.116 0.000 0.972 727 D HN 0.601 nan 8.370 nan 0.000 0.482 728 N N -0.237 118.170 118.700 -0.489 0.000 2.262 728 N HA 0.393 5.122 4.740 -0.018 0.000 0.295 728 N C -1.102 173.989 175.510 -0.697 0.000 1.161 728 N CA -0.449 52.210 53.050 -0.652 0.000 0.767 728 N CB 3.310 41.179 38.487 -1.031 0.000 1.499 728 N HN -0.262 nan 8.380 nan 0.000 0.476 729 V N 1.117 120.831 119.914 -0.334 0.000 2.709 729 V HA 0.500 4.610 4.120 -0.018 0.000 0.308 729 V C -0.534 175.610 176.094 0.084 0.000 1.062 729 V CA -0.711 61.546 62.300 -0.071 0.000 0.901 729 V CB 2.351 34.160 31.823 -0.023 0.000 1.003 729 V HN 0.359 nan 8.190 nan 0.000 0.425 730 V N 3.547 123.626 119.914 0.275 0.000 2.588 730 V HA 0.746 4.855 4.120 -0.018 0.000 0.304 730 V C -0.141 176.045 176.094 0.153 0.000 1.042 730 V CA -0.328 62.129 62.300 0.262 0.000 0.877 730 V CB 2.306 34.378 31.823 0.415 0.000 0.996 730 V HN 1.030 nan 8.190 nan 0.000 0.425 731 S N 2.986 118.687 115.700 0.002 0.000 2.568 731 S HA 1.024 5.483 4.470 -0.018 0.000 0.293 731 S C -0.265 174.106 174.600 -0.382 0.000 1.089 731 S CA -0.095 57.980 58.200 -0.208 0.000 0.945 731 S CB 2.397 65.490 63.200 -0.178 0.000 1.077 731 S HN 1.439 nan 8.310 nan 0.000 0.485 732 G N 0.039 108.308 108.800 -0.885 0.000 2.488 732 G HA2 0.546 4.495 3.960 -0.018 0.000 0.301 732 G HA3 0.546 4.495 3.960 -0.018 0.000 0.301 732 G C -2.138 172.388 174.900 -0.623 0.000 1.339 732 G CA -0.705 43.977 45.100 -0.696 0.000 0.803 732 G HN 0.886 nan 8.290 nan 0.000 0.482 733 E N -1.148 119.001 120.200 -0.084 0.000 2.340 733 E HA 0.680 5.019 4.350 -0.018 0.000 0.273 733 E C -1.986 174.821 176.600 0.345 0.000 0.891 733 E CA -0.749 55.739 56.400 0.147 0.000 0.757 733 E CB 2.622 32.384 29.700 0.105 0.000 1.231 733 E HN 0.496 nan 8.360 nan 0.000 0.439 734 L N 3.769 125.236 121.223 0.407 0.000 2.445 734 L HA 0.530 4.860 4.340 -0.018 0.000 0.262 734 L C -2.145 174.996 176.870 0.452 0.000 0.974 734 L CA -0.610 54.481 54.840 0.418 0.000 0.822 734 L CB 1.829 44.120 42.059 0.387 0.000 1.339 734 L HN 0.644 nan 8.230 nan 0.000 0.409 735 Y N 4.773 125.257 120.300 0.306 0.000 2.425 735 Y HA 0.712 5.251 4.550 -0.018 0.000 0.344 735 Y C -1.305 174.753 175.900 0.264 0.000 0.969 735 Y CA -0.864 57.401 58.100 0.275 0.000 1.052 735 Y CB 1.717 40.302 38.460 0.209 0.000 1.215 735 Y HN 0.637 nan 8.280 nan 0.000 0.451 736 I N 5.874 126.200 120.570 -0.406 0.000 2.418 736 I HA 0.639 4.799 4.170 -0.018 0.000 0.287 736 I C 0.124 175.832 176.117 -0.681 0.000 1.008 736 I CA -0.505 60.550 61.300 -0.409 0.000 1.104 736 I CB 0.882 38.718 38.000 -0.274 0.000 1.264 736 I HN 0.848 nan 8.210 nan 0.000 0.438 737 G N 4.477 113.045 108.800 -0.387 0.000 2.636 737 G HA2 0.435 4.384 3.960 -0.018 0.000 0.246 737 G HA3 0.435 4.384 3.960 -0.018 0.000 0.246 737 G C 0.368 175.190 174.900 -0.130 0.000 1.216 737 G CA 0.030 45.048 45.100 -0.136 0.000 0.854 737 G HN 0.837 nan 8.290 nan 0.000 0.572 738 G N -1.470 107.335 108.800 0.007 0.000 2.489 738 G HA2 0.496 4.445 3.960 -0.018 0.000 0.271 738 G HA3 0.496 4.445 3.960 -0.018 0.000 0.271 738 G C -0.247 174.622 174.900 -0.052 0.000 1.427 738 G CA -0.215 44.878 45.100 -0.012 0.000 1.057 738 G HN 0.723 nan 8.290 nan 0.000 0.532 739 Q N -1.381 118.391 119.800 -0.047 0.000 2.403 739 Q HA 0.268 4.597 4.340 -0.018 0.000 0.267 739 Q C -2.191 173.880 176.000 0.118 0.000 0.991 739 Q CA -0.649 55.133 55.803 -0.034 0.000 0.906 739 Q CB 2.404 30.851 28.738 -0.485 0.000 1.422 739 Q HN 0.600 nan 8.270 nan 0.000 0.400 740 D N -0.087 120.398 120.400 0.141 0.000 2.177 740 D HA 0.223 4.853 4.640 -0.018 0.000 0.247 740 D C 0.505 176.898 176.300 0.154 0.000 1.063 740 D CA 0.008 54.001 54.000 -0.013 0.000 0.867 740 D CB 0.941 41.489 40.800 -0.420 0.000 1.168 740 D HN 0.583 nan 8.370 nan 0.000 0.445 741 H N 2.929 121.953 119.070 -0.076 0.000 2.352 741 H HA -0.036 4.510 4.556 -0.017 0.000 0.299 741 H C 0.546 175.678 175.328 -0.325 0.000 1.097 741 H CA 1.204 56.931 56.048 -0.535 0.000 1.311 741 H CB -0.245 29.077 29.762 -0.733 0.000 1.377 741 H HN 0.529 nan 8.280 nan 0.000 0.504 742 F N 0.336 120.014 119.950 -0.454 0.000 3.048 742 F HA -0.287 4.230 4.527 -0.017 0.000 0.269 742 F C -0.651 175.058 175.800 -0.152 0.000 0.960 742 F CA -0.509 57.328 58.000 -0.270 0.000 0.909 742 F CB -1.716 37.267 39.000 -0.028 0.000 0.837 742 F HN 0.152 nan 8.300 nan 0.000 0.768 743 Y N -0.671 119.796 120.300 0.279 0.000 2.712 743 Y HA 0.100 4.640 4.550 -0.017 0.000 0.333 743 Y C 1.112 177.087 175.900 0.126 0.000 1.225 743 Y CA -1.031 57.268 58.100 0.332 0.000 1.499 743 Y CB 0.016 38.572 38.460 0.160 0.000 1.288 743 Y HN 0.083 nan 8.280 nan 0.000 0.575 744 L N 1.185 122.606 121.223 0.329 0.000 2.093 744 L HA -0.079 4.250 4.340 -0.018 0.000 0.208 744 L C 1.086 178.005 176.870 0.081 0.000 1.085 744 L CA 1.416 56.362 54.840 0.177 0.000 0.755 744 L CB -0.618 41.523 42.059 0.137 0.000 0.904 744 L HN 0.861 nan 8.230 nan 0.000 0.435 745 E N 0.860 121.093 120.200 0.055 0.000 2.130 745 E HA 0.138 4.478 4.350 -0.018 0.000 0.284 745 E C -0.075 176.505 176.600 -0.033 0.000 1.018 745 E CA -0.286 56.089 56.400 -0.042 0.000 0.817 745 E CB 0.913 30.533 29.700 -0.133 0.000 1.078 745 E HN 0.246 nan 8.360 nan 0.000 0.396 746 T N 1.524 116.081 114.554 0.005 0.000 2.726 746 T HA 0.106 4.446 4.350 -0.018 0.000 0.294 746 T C 0.608 175.214 174.700 -0.156 0.000 1.013 746 T CA -0.572 61.543 62.100 0.025 0.000 0.996 746 T CB 0.424 69.359 68.868 0.111 0.000 1.016 746 T HN 0.440 nan 8.240 nan 0.000 0.529 747 H N -0.934 118.046 119.070 -0.149 0.000 2.972 747 H HA 0.272 4.818 4.556 -0.018 0.000 0.343 747 H C -0.062 175.238 175.328 -0.046 0.000 1.054 747 H CA 0.197 56.164 56.048 -0.136 0.000 1.412 747 H CB 0.362 30.076 29.762 -0.081 0.000 1.385 747 H HN 0.685 nan 8.280 nan 0.000 0.600 748 C N 3.232 122.569 119.300 0.060 0.000 2.931 748 C HA 0.367 4.816 4.460 -0.018 0.000 0.370 748 C C -0.635 174.398 174.990 0.071 0.000 1.071 748 C CA -0.216 58.842 59.018 0.066 0.000 1.266 748 C CB 1.113 28.880 27.740 0.045 0.000 1.691 748 C HN 0.884 nan 8.230 nan 0.000 0.511 749 T N 5.962 120.567 114.554 0.086 0.000 2.952 749 T HA 0.607 4.947 4.350 -0.018 0.000 0.305 749 T C -1.033 173.729 174.700 0.103 0.000 1.064 749 T CA -0.227 61.928 62.100 0.091 0.000 1.008 749 T CB 1.216 70.128 68.868 0.073 0.000 1.078 749 T HN 0.564 nan 8.240 nan 0.000 0.459 750 I N 2.272 122.930 120.570 0.146 0.000 2.406 750 I HA 0.706 4.865 4.170 -0.018 0.000 0.290 750 I C -0.062 176.163 176.117 0.180 0.000 0.999 750 I CA -0.925 60.472 61.300 0.162 0.000 1.124 750 I CB 1.668 39.797 38.000 0.215 0.000 1.289 750 I HN 0.691 nan 8.210 nan 0.000 0.441 751 A N 7.711 130.604 122.820 0.123 0.000 2.330 751 A HA 0.828 5.137 4.320 -0.018 0.000 0.313 751 A C -0.707 176.936 177.584 0.099 0.000 1.124 751 A CA -0.425 51.667 52.037 0.093 0.000 0.774 751 A CB 0.613 19.651 19.000 0.062 0.000 1.198 751 A HN 0.679 nan 8.150 nan 0.000 0.465 752 I N 4.588 125.215 120.570 0.094 0.000 2.359 752 I HA 0.332 4.492 4.170 -0.018 0.000 0.284 752 I C -2.328 173.795 176.117 0.010 0.000 1.018 752 I CA -2.105 59.234 61.300 0.065 0.000 1.173 752 I CB 2.171 40.254 38.000 0.137 0.000 1.326 752 I HN 0.398 nan 8.210 nan 0.000 0.462 753 P HA 0.199 nan 4.420 nan 0.000 0.286 753 P C -0.272 177.000 177.300 -0.048 0.000 1.269 753 P CA -0.529 62.565 63.100 -0.010 0.000 0.787 753 P CB 1.379 33.079 31.700 0.000 0.000 0.920 754 K N 2.143 122.522 120.400 -0.034 0.000 2.314 754 K HA 0.114 4.424 4.320 -0.018 0.000 0.198 754 K C 1.513 178.083 176.600 -0.050 0.000 1.045 754 K CA 0.881 57.139 56.287 -0.048 0.000 0.988 754 K CB -0.712 31.770 32.500 -0.030 0.000 0.783 754 K HN 0.823 nan 8.250 nan 0.000 0.484 755 G N 1.744 110.522 108.800 -0.037 0.000 2.179 755 G HA2 -0.260 3.689 3.960 -0.018 0.000 0.260 755 G HA3 -0.260 3.689 3.960 -0.018 0.000 0.260 755 G C -0.333 174.553 174.900 -0.024 0.000 0.977 755 G CA 0.140 45.216 45.100 -0.039 0.000 0.641 755 G HN 0.387 nan 8.290 nan 0.000 0.533 756 E N 0.283 120.474 120.200 -0.015 0.000 2.176 756 E HA 0.504 4.844 4.350 -0.018 0.000 0.267 756 E C 0.350 176.952 176.600 0.003 0.000 0.893 756 E CA -0.794 55.602 56.400 -0.008 0.000 0.761 756 E CB 1.045 30.738 29.700 -0.011 0.000 1.133 756 E HN 0.138 nan 8.360 nan 0.000 0.409 757 E N 1.397 121.603 120.200 0.009 0.000 3.170 757 E HA -0.272 4.067 4.350 -0.018 0.000 0.284 757 E C 0.721 177.333 176.600 0.021 0.000 0.967 757 E CA 1.196 57.604 56.400 0.013 0.000 0.919 757 E CB -1.425 28.278 29.700 0.005 0.000 1.469 757 E HN 1.139 nan 8.360 nan 0.000 0.444 758 G N 0.102 108.925 108.800 0.037 0.000 2.159 758 G HA2 -0.354 3.595 3.960 -0.018 0.000 0.256 758 G HA3 -0.354 3.595 3.960 -0.018 0.000 0.256 758 G C 0.087 175.008 174.900 0.036 0.000 0.977 758 G CA 0.583 45.716 45.100 0.055 0.000 0.652 758 G HN 0.354 nan 8.290 nan 0.000 0.531 759 E N -0.183 120.028 120.200 0.018 0.000 2.414 759 E HA 0.465 4.805 4.350 -0.018 0.000 0.263 759 E C 0.311 176.914 176.600 0.005 0.000 1.000 759 E CA 0.430 56.832 56.400 0.004 0.000 0.914 759 E CB 0.684 30.381 29.700 -0.005 0.000 0.948 759 E HN 0.454 nan 8.360 nan 0.000 0.444 760 M N 2.461 122.058 119.600 -0.006 0.000 2.433 760 M HA 0.232 4.702 4.480 -0.018 0.000 0.290 760 M C -1.521 174.753 176.300 -0.043 0.000 1.173 760 M CA -0.497 54.797 55.300 -0.010 0.000 0.905 760 M CB 2.232 34.837 32.600 0.008 0.000 1.692 760 M HN 0.411 nan 8.290 nan 0.000 0.462 761 E N 3.475 123.640 120.200 -0.057 0.000 2.187 761 E HA 0.652 4.991 4.350 -0.018 0.000 0.268 761 E C -2.060 174.426 176.600 -0.190 0.000 0.896 761 E CA -0.621 55.689 56.400 -0.150 0.000 0.766 761 E CB 1.526 31.141 29.700 -0.142 0.000 1.142 761 E HN 0.593 nan 8.360 nan 0.000 0.408 762 L N 4.343 125.387 121.223 -0.299 0.000 2.386 762 L HA 0.485 4.814 4.340 -0.018 0.000 0.271 762 L C -1.164 175.468 176.870 -0.397 0.000 0.993 762 L CA -0.426 54.288 54.840 -0.210 0.000 0.819 762 L CB 1.352 43.358 42.059 -0.088 0.000 1.294 762 L HN 0.531 nan 8.230 nan 0.000 0.414 763 F N 3.031 122.990 119.950 0.015 0.000 2.411 763 F HA 0.688 5.205 4.527 -0.018 0.000 0.352 763 F C 0.044 175.845 175.800 0.001 0.000 1.123 763 F CA -0.950 57.053 58.000 0.005 0.000 1.044 763 F CB 1.729 40.735 39.000 0.010 0.000 1.135 763 F HN 0.177 nan 8.300 nan 0.000 0.461 764 V N -0.113 119.871 119.914 0.117 0.000 2.760 764 V HA 0.535 4.645 4.120 -0.018 0.000 0.309 764 V C -0.293 175.813 176.094 0.019 0.000 1.077 764 V CA -0.837 61.494 62.300 0.052 0.000 0.910 764 V CB 1.556 33.380 31.823 0.003 0.000 1.008 764 V HN 0.641 nan 8.190 nan 0.000 0.424 765 S N 3.141 118.836 115.700 -0.009 0.000 3.530 765 S HA 0.490 4.950 4.470 -0.018 0.000 0.279 765 S C 0.033 174.552 174.600 -0.134 0.000 1.280 765 S CA 0.280 58.432 58.200 -0.079 0.000 0.946 765 S CB -0.834 62.292 63.200 -0.122 0.000 1.501 765 S HN 1.233 nan 8.310 nan 0.000 0.498 766 T N 3.014 117.506 114.554 -0.104 0.000 2.916 766 T HA 0.351 4.691 4.350 -0.018 0.000 0.305 766 T C 0.400 175.041 174.700 -0.098 0.000 1.119 766 T CA -0.545 61.492 62.100 -0.104 0.000 1.008 766 T CB 1.667 70.496 68.868 -0.065 0.000 1.129 766 T HN 0.519 nan 8.240 nan 0.000 0.480 767 Q N 1.877 121.622 119.800 -0.092 0.000 2.403 767 Q HA 0.221 4.551 4.340 -0.018 0.000 0.203 767 Q C 0.153 176.134 176.000 -0.032 0.000 0.932 767 Q CA 0.125 55.893 55.803 -0.059 0.000 0.945 767 Q CB 0.272 28.986 28.738 -0.040 0.000 1.045 767 Q HN 0.332 nan 8.270 nan 0.000 0.511 768 N N -0.286 118.384 118.700 -0.051 0.000 2.752 768 N HA 0.256 4.985 4.740 -0.018 0.000 0.260 768 N C -0.310 175.145 175.510 -0.093 0.000 1.562 768 N CA -0.027 52.985 53.050 -0.062 0.000 0.788 768 N CB 0.858 39.299 38.487 -0.077 0.000 1.192 768 N HN 0.080 nan 8.380 nan 0.000 0.503 769 A N 2.526 125.301 122.820 -0.074 0.000 1.933 769 A HA -0.150 4.159 4.320 -0.018 0.000 0.218 769 A C 2.133 179.660 177.584 -0.094 0.000 1.175 769 A CA 1.146 53.134 52.037 -0.081 0.000 0.628 769 A CB -0.344 18.614 19.000 -0.070 0.000 0.814 769 A HN 0.663 nan 8.150 nan 0.000 0.444 770 M N -0.912 118.638 119.600 -0.085 0.000 2.080 770 M HA -0.203 4.267 4.480 -0.018 0.000 0.260 770 M C 1.784 177.992 176.300 -0.154 0.000 1.068 770 M CA 1.986 57.233 55.300 -0.089 0.000 1.109 770 M CB -0.158 32.407 32.600 -0.058 0.000 1.342 770 M HN 0.152 nan 8.290 nan 0.000 0.405 771 K N -0.341 119.909 120.400 -0.249 0.000 2.155 771 K HA -0.023 4.286 4.320 -0.018 0.000 0.203 771 K C 1.897 178.177 176.600 -0.534 0.000 1.052 771 K CA 1.728 57.702 56.287 -0.521 0.000 0.948 771 K CB -0.736 31.345 32.500 -0.697 0.000 0.728 771 K HN 0.444 nan 8.250 nan 0.000 0.448 772 T N 1.772 116.148 114.554 -0.297 0.000 2.652 772 T HA -0.206 4.133 4.350 -0.018 0.000 0.267 772 T C 1.928 176.575 174.700 -0.087 0.000 1.039 772 T CA 1.478 63.480 62.100 -0.162 0.000 1.153 772 T CB -0.116 68.692 68.868 -0.100 0.000 0.863 772 T HN 0.342 nan 8.240 nan 0.000 0.428 773 Q N 0.581 120.328 119.800 -0.088 0.000 2.030 773 Q HA -0.146 4.183 4.340 -0.018 0.000 0.204 773 Q C 2.548 178.542 176.000 -0.011 0.000 0.986 773 Q CA 1.788 57.562 55.803 -0.049 0.000 0.843 773 Q CB -0.220 28.485 28.738 -0.055 0.000 0.904 773 Q HN 0.422 nan 8.270 nan 0.000 0.420 774 S N 0.170 115.862 115.700 -0.013 0.000 2.359 774 S HA -0.137 4.323 4.470 -0.018 0.000 0.224 774 S C 1.578 176.316 174.600 0.230 0.000 1.035 774 S CA 1.270 59.517 58.200 0.078 0.000 1.018 774 S CB -0.335 62.912 63.200 0.078 0.000 0.876 774 S HN 0.356 nan 8.310 nan 0.000 0.448 775 F N 1.125 121.045 119.950 -0.050 0.000 2.206 775 F HA 0.037 4.553 4.527 -0.018 0.000 0.298 775 F C 2.398 178.159 175.800 -0.065 0.000 1.090 775 F CA -0.327 57.639 58.000 -0.058 0.000 1.323 775 F CB -1.317 37.650 39.000 -0.055 0.000 1.028 775 F HN 0.007 nan 8.300 nan 0.000 0.492 776 V N 0.084 120.078 119.914 0.134 0.000 2.295 776 V HA -0.282 3.828 4.120 -0.018 0.000 0.246 776 V C 2.652 178.748 176.094 0.003 0.000 1.049 776 V CA 1.736 64.059 62.300 0.039 0.000 1.024 776 V CB -1.365 30.468 31.823 0.017 0.000 0.648 776 V HN 0.306 nan 8.190 nan 0.000 0.447 777 A N -0.428 122.401 122.820 0.014 0.000 1.902 777 A HA -0.270 4.040 4.320 -0.018 0.000 0.217 777 A C 2.360 179.928 177.584 -0.025 0.000 1.181 777 A CA 2.198 54.229 52.037 -0.010 0.000 0.623 777 A CB -0.501 18.499 19.000 -0.000 0.000 0.818 777 A HN 0.504 nan 8.150 nan 0.000 0.443 778 K N -0.598 119.797 120.400 -0.008 0.000 2.057 778 K HA -0.220 4.090 4.320 -0.018 0.000 0.207 778 K C 2.159 178.713 176.600 -0.077 0.000 1.049 778 K CA 2.017 58.279 56.287 -0.041 0.000 0.931 778 K CB -0.277 32.195 32.500 -0.046 0.000 0.714 778 K HN 0.576 nan 8.250 nan 0.000 0.440 779 M N 0.220 119.769 119.600 -0.085 0.000 2.132 779 M HA -0.093 4.376 4.480 -0.018 0.000 0.263 779 M C 1.521 177.733 176.300 -0.147 0.000 1.065 779 M CA 1.714 56.946 55.300 -0.113 0.000 1.122 779 M CB -0.463 32.068 32.600 -0.115 0.000 1.365 779 M HN 0.072 nan 8.290 nan 0.000 0.411 780 L N 0.394 121.522 121.223 -0.158 0.000 2.395 780 L HA 0.226 4.556 4.340 -0.018 0.000 0.218 780 L C 1.379 178.130 176.870 -0.198 0.000 1.130 780 L CA 0.542 55.230 54.840 -0.254 0.000 0.826 780 L CB -1.019 40.914 42.059 -0.210 0.000 0.941 780 L HN 0.782 nan 8.230 nan 0.000 0.451 781 G N 0.858 109.586 108.800 -0.119 0.000 2.272 781 G HA2 -0.221 3.728 3.960 -0.018 0.000 0.280 781 G HA3 -0.221 3.728 3.960 -0.018 0.000 0.280 781 G C -0.143 174.722 174.900 -0.058 0.000 1.067 781 G CA 0.255 45.308 45.100 -0.079 0.000 0.902 781 G HN 0.141 nan 8.290 nan 0.000 0.500 782 V N -0.330 119.553 119.914 -0.051 0.000 2.960 782 V HA 0.660 4.770 4.120 -0.018 0.000 0.315 782 V C -1.756 174.325 176.094 -0.022 0.000 1.087 782 V CA -1.941 60.342 62.300 -0.030 0.000 0.982 782 V CB 2.107 33.916 31.823 -0.024 0.000 1.039 782 V HN 0.136 nan 8.190 nan 0.000 0.437 783 P HA 0.150 nan 4.420 nan 0.000 0.269 783 P C 0.893 178.185 177.300 -0.013 0.000 1.215 783 P CA -0.081 63.010 63.100 -0.014 0.000 0.780 783 P CB 0.603 32.295 31.700 -0.012 0.000 0.898 784 V N 1.461 121.367 119.914 -0.013 0.000 2.594 784 V HA -0.247 3.863 4.120 -0.018 0.000 0.253 784 V C 1.959 178.043 176.094 -0.016 0.000 1.069 784 V CA 2.232 64.524 62.300 -0.013 0.000 1.082 784 V CB -1.399 30.417 31.823 -0.012 0.000 0.680 784 V HN 0.690 nan 8.190 nan 0.000 0.469 785 N N 0.663 119.354 118.700 -0.015 0.000 2.520 785 N HA -0.182 4.547 4.740 -0.018 0.000 0.185 785 N C 1.566 177.067 175.510 -0.015 0.000 1.068 785 N CA 0.942 53.983 53.050 -0.014 0.000 0.911 785 N CB -0.412 38.068 38.487 -0.012 0.000 0.961 785 N HN 0.299 nan 8.380 nan 0.000 0.446 786 R N -0.100 120.392 120.500 -0.014 0.000 2.275 786 R HA 0.207 4.536 4.340 -0.018 0.000 0.199 786 R C -0.051 176.238 176.300 -0.018 0.000 0.989 786 R CA 0.079 56.172 56.100 -0.012 0.000 1.016 786 R CB 0.107 30.404 30.300 -0.006 0.000 0.918 786 R HN 0.278 nan 8.270 nan 0.000 0.473 787 I N 1.869 122.425 120.570 -0.024 0.000 2.362 787 I HA 0.244 4.403 4.170 -0.018 0.000 0.289 787 I C -0.426 175.661 176.117 -0.050 0.000 0.994 787 I CA -1.649 59.630 61.300 -0.034 0.000 1.158 787 I CB 1.357 39.340 38.000 -0.028 0.000 1.315 787 I HN -0.163 nan 8.210 nan 0.000 0.451 788 L N 8.533 129.713 121.223 -0.072 0.000 2.313 788 L HA 0.634 4.964 4.340 -0.018 0.000 0.283 788 L C -0.821 175.962 176.870 -0.144 0.000 1.013 788 L CA -0.343 54.439 54.840 -0.098 0.000 0.816 788 L CB 1.697 43.694 42.059 -0.103 0.000 1.236 788 L HN 0.282 nan 8.230 nan 0.000 0.419 789 V N 5.932 125.765 119.914 -0.134 0.000 2.495 789 V HA 0.638 4.748 4.120 -0.018 0.000 0.298 789 V C -0.154 175.844 176.094 -0.160 0.000 1.031 789 V CA -0.630 61.579 62.300 -0.152 0.000 0.871 789 V CB 1.740 33.502 31.823 -0.102 0.000 0.988 789 V HN 0.732 nan 8.190 nan 0.000 0.432 790 R N 3.041 123.415 120.500 -0.209 0.000 2.561 790 R HA 0.813 5.143 4.340 -0.018 0.000 0.297 790 R C -1.687 174.590 176.300 -0.039 0.000 0.969 790 R CA -0.690 55.325 56.100 -0.142 0.000 0.879 790 R CB 2.573 32.741 30.300 -0.220 0.000 1.178 790 R HN 0.497 nan 8.270 nan 0.000 0.445 791 V N 3.523 123.428 119.914 -0.016 0.000 2.447 791 V HA 0.142 4.252 4.120 -0.018 0.000 0.292 791 V C 0.437 176.538 176.094 0.012 0.000 1.021 791 V CA -0.706 61.596 62.300 0.004 0.000 0.850 791 V CB 1.465 33.267 31.823 -0.035 0.000 1.005 791 V HN 0.718 nan 8.190 nan 0.000 0.426 792 K N 5.088 125.508 120.400 0.033 0.000 2.029 792 K HA 0.190 4.499 4.320 -0.018 0.000 0.205 792 K C 0.718 177.314 176.600 -0.008 0.000 1.042 792 K CA 1.306 57.600 56.287 0.012 0.000 0.949 792 K CB 0.286 32.785 32.500 -0.002 0.000 0.740 792 K HN 0.794 nan 8.250 nan 0.000 0.442 793 R N -1.538 118.935 120.500 -0.044 0.000 2.712 793 R HA 0.409 4.738 4.340 -0.018 0.000 0.272 793 R C -1.338 174.953 176.300 -0.015 0.000 1.032 793 R CA -0.831 55.232 56.100 -0.062 0.000 0.874 793 R CB 0.693 30.916 30.300 -0.129 0.000 1.256 793 R HN 0.002 nan 8.270 nan 0.000 0.468 794 M N 0.700 120.302 119.600 0.002 0.000 2.456 794 M HA 0.407 4.876 4.480 -0.018 0.000 0.324 794 M C 0.454 176.828 176.300 0.123 0.000 1.124 794 M CA -0.712 54.600 55.300 0.020 0.000 0.959 794 M CB 2.454 34.982 32.600 -0.120 0.000 1.692 794 M HN 0.953 nan 8.290 nan 0.000 0.444 795 G N 1.695 110.572 108.800 0.127 0.000 3.401 795 G HA2 0.485 4.434 3.960 -0.018 0.000 0.251 795 G HA3 0.485 4.434 3.960 -0.018 0.000 0.251 795 G C 0.332 175.226 174.900 -0.009 0.000 0.960 795 G CA 0.282 45.396 45.100 0.024 0.000 1.900 795 G HN 1.088 nan 8.290 nan 0.000 0.645 796 G N -1.314 107.424 108.800 -0.103 0.000 2.788 796 G HA2 0.352 4.301 3.960 -0.018 0.000 0.686 796 G HA3 0.352 4.301 3.960 -0.018 0.000 0.686 796 G C 0.525 175.180 174.900 -0.408 0.000 1.147 796 G CA -0.349 44.550 45.100 -0.335 0.000 0.755 796 G HN 1.164 nan 8.290 nan 0.000 0.634 797 G N -0.476 107.886 108.800 -0.730 0.000 2.645 797 G HA2 0.549 4.498 3.960 -0.018 0.000 0.208 797 G HA3 0.549 4.498 3.960 -0.018 0.000 0.208 797 G C 0.864 175.659 174.900 -0.175 0.000 1.264 797 G CA 0.828 45.692 45.100 -0.393 0.000 0.586 797 G HN 1.725 nan 8.290 nan 0.000 0.952 798 F N 0.775 120.751 119.950 0.045 0.000 3.069 798 F HA -0.197 4.319 4.527 -0.017 0.000 0.285 798 F C 1.945 177.784 175.800 0.065 0.000 0.827 798 F CA 0.925 58.953 58.000 0.046 0.000 1.108 798 F CB -1.477 37.501 39.000 -0.036 0.000 1.252 798 F HN 1.136 nan 8.300 nan 0.000 0.483 799 G N -1.064 107.817 108.800 0.135 0.000 2.254 799 G HA2 -0.203 3.747 3.960 -0.018 0.000 0.225 799 G HA3 -0.203 3.747 3.960 -0.018 0.000 0.225 799 G C 1.127 176.053 174.900 0.043 0.000 1.003 799 G CA 0.109 45.318 45.100 0.182 0.000 0.622 799 G HN 1.222 nan 8.290 nan 0.000 0.507 800 G N 0.072 108.668 108.800 -0.340 0.000 2.598 800 G HA2 0.187 4.137 3.960 -0.018 0.000 0.215 800 G HA3 0.187 4.137 3.960 -0.018 0.000 0.215 800 G C 1.194 176.012 174.900 -0.136 0.000 1.131 800 G CA 1.351 46.038 45.100 -0.688 0.000 0.785 800 G HN 0.527 nan 8.290 nan 0.000 0.539 801 K N -0.285 120.024 120.400 -0.151 0.000 2.438 801 K HA 0.182 4.492 4.320 -0.018 0.000 0.205 801 K C 1.402 177.980 176.600 -0.037 0.000 1.033 801 K CA -0.120 56.087 56.287 -0.134 0.000 1.089 801 K CB 0.731 33.020 32.500 -0.352 0.000 0.857 801 K HN 0.322 nan 8.250 nan 0.000 0.522 802 E N 0.922 121.135 120.200 0.023 0.000 2.112 802 E HA -0.116 4.223 4.350 -0.018 0.000 0.190 802 E C 1.301 177.933 176.600 0.054 0.000 0.979 802 E CA 1.712 58.148 56.400 0.060 0.000 0.814 802 E CB 0.454 30.237 29.700 0.138 0.000 0.762 802 E HN 0.279 nan 8.360 nan 0.000 0.460 803 T N -3.121 111.484 114.554 0.086 0.000 3.098 803 T HA 0.200 4.540 4.350 -0.018 0.000 0.256 803 T C 1.559 176.311 174.700 0.086 0.000 0.921 803 T CA -0.586 61.555 62.100 0.069 0.000 0.916 803 T CB -0.030 68.912 68.868 0.124 0.000 1.246 803 T HN -0.099 nan 8.240 nan 0.000 0.511 804 R N 2.580 123.147 120.500 0.112 0.000 2.307 804 R HA 0.226 4.555 4.340 -0.018 0.000 0.199 804 R C 2.582 178.886 176.300 0.006 0.000 1.000 804 R CA 1.012 57.155 56.100 0.071 0.000 1.023 804 R CB -1.007 29.334 30.300 0.068 0.000 0.908 804 R HN 0.725 nan 8.270 nan 0.000 0.473 805 S N 0.329 116.108 115.700 0.132 0.000 2.442 805 S HA -0.150 4.310 4.470 -0.018 0.000 0.236 805 S C 1.905 176.545 174.600 0.067 0.000 1.007 805 S CA 1.571 59.886 58.200 0.192 0.000 0.965 805 S CB -0.608 62.689 63.200 0.161 0.000 0.773 805 S HN 0.440 nan 8.310 nan 0.000 0.504 806 T N 0.704 115.290 114.554 0.052 0.000 3.007 806 T HA 0.139 4.479 4.350 -0.018 0.000 0.270 806 T C 1.706 176.439 174.700 0.056 0.000 1.107 806 T CA 0.770 62.917 62.100 0.079 0.000 1.118 806 T CB -0.807 68.180 68.868 0.197 0.000 0.889 806 T HN 0.412 nan 8.240 nan 0.000 0.506 807 L N 0.510 121.741 121.223 0.013 0.000 2.042 807 L HA -0.076 4.253 4.340 -0.018 0.000 0.210 807 L C 2.875 179.729 176.870 -0.027 0.000 1.076 807 L CA 1.132 55.958 54.840 -0.024 0.000 0.749 807 L CB -0.669 41.361 42.059 -0.048 0.000 0.893 807 L HN 0.207 nan 8.230 nan 0.000 0.432 808 V N -1.591 118.314 119.914 -0.016 0.000 2.379 808 V HA -0.156 3.953 4.120 -0.018 0.000 0.243 808 V C 2.515 178.628 176.094 0.032 0.000 1.035 808 V CA 1.557 63.870 62.300 0.022 0.000 1.035 808 V CB 0.063 31.914 31.823 0.046 0.000 0.673 808 V HN 0.308 nan 8.190 nan 0.000 0.457 809 S N 0.297 116.017 115.700 0.034 0.000 2.370 809 S HA -0.188 4.271 4.470 -0.018 0.000 0.226 809 S C 2.012 176.625 174.600 0.022 0.000 1.033 809 S CA 1.689 59.909 58.200 0.034 0.000 1.011 809 S CB -0.247 62.970 63.200 0.029 0.000 0.852 809 S HN 0.373 nan 8.310 nan 0.000 0.457 810 V N 1.718 121.634 119.914 0.004 0.000 2.427 810 V HA -0.136 3.973 4.120 -0.018 0.000 0.248 810 V C 2.583 178.643 176.094 -0.057 0.000 1.051 810 V CA 1.521 63.803 62.300 -0.030 0.000 1.048 810 V CB -1.179 30.607 31.823 -0.061 0.000 0.666 810 V HN 0.528 nan 8.190 nan 0.000 0.456 811 A N -0.009 122.773 122.820 -0.064 0.000 1.877 811 A HA -0.163 4.146 4.320 -0.018 0.000 0.216 811 A C 2.392 180.034 177.584 0.096 0.000 1.186 811 A CA 2.134 54.185 52.037 0.025 0.000 0.620 811 A CB -0.730 18.320 19.000 0.084 0.000 0.822 811 A HN 0.326 nan 8.150 nan 0.000 0.443 812 V N -0.092 119.864 119.914 0.070 0.000 2.343 812 V HA -0.250 3.859 4.120 -0.018 0.000 0.247 812 V C 3.050 179.184 176.094 0.068 0.000 1.051 812 V CA 1.929 64.270 62.300 0.069 0.000 1.036 812 V CB -1.273 30.588 31.823 0.063 0.000 0.654 812 V HN 0.626 nan 8.190 nan 0.000 0.451 813 A N -0.098 122.756 122.820 0.057 0.000 1.902 813 A HA -0.212 4.097 4.320 -0.018 0.000 0.217 813 A C 2.177 179.819 177.584 0.097 0.000 1.181 813 A CA 2.140 54.213 52.037 0.060 0.000 0.623 813 A CB -0.599 18.420 19.000 0.031 0.000 0.818 813 A HN 0.464 nan 8.150 nan 0.000 0.443 814 L N -0.220 121.058 121.223 0.092 0.000 2.046 814 L HA -0.090 4.240 4.340 -0.018 0.000 0.208 814 L C 2.658 179.641 176.870 0.189 0.000 1.077 814 L CA 2.265 57.195 54.840 0.150 0.000 0.747 814 L CB -0.726 41.430 42.059 0.162 0.000 0.896 814 L HN 0.343 nan 8.230 nan 0.000 0.432 815 A N -0.484 122.413 122.820 0.128 0.000 1.902 815 A HA -0.108 4.201 4.320 -0.018 0.000 0.217 815 A C 2.464 180.088 177.584 0.067 0.000 1.181 815 A CA 1.848 53.931 52.037 0.075 0.000 0.623 815 A CB -1.210 17.815 19.000 0.042 0.000 0.818 815 A HN 0.591 nan 8.150 nan 0.000 0.443 816 A N -1.251 121.619 122.820 0.083 0.000 1.902 816 A HA -0.135 4.175 4.320 -0.018 0.000 0.217 816 A C 2.151 179.787 177.584 0.087 0.000 1.181 816 A CA 1.750 53.833 52.037 0.076 0.000 0.623 816 A CB -0.914 18.130 19.000 0.073 0.000 0.818 816 A HN 0.818 nan 8.150 nan 0.000 0.443 817 Y N 0.370 120.679 120.300 0.016 0.000 2.128 817 Y HA -0.210 4.329 4.550 -0.018 0.000 0.284 817 Y C 2.353 178.263 175.900 0.016 0.000 1.154 817 Y CA 2.445 60.553 58.100 0.013 0.000 1.149 817 Y CB -0.121 38.347 38.460 0.014 0.000 0.976 817 Y HN 0.144 nan 8.280 nan 0.000 0.505 818 K N -0.259 120.110 120.400 -0.053 0.000 2.062 818 K HA -0.109 4.201 4.320 -0.018 0.000 0.205 818 K C 2.080 178.596 176.600 -0.139 0.000 1.051 818 K CA 1.871 58.074 56.287 -0.139 0.000 0.941 818 K CB -0.509 32.014 32.500 0.038 0.000 0.719 818 K HN 0.609 nan 8.250 nan 0.000 0.440 819 T N -3.688 110.828 114.554 -0.063 0.000 3.054 819 T HA 0.105 4.444 4.350 -0.018 0.000 0.259 819 T C 1.439 176.188 174.700 0.082 0.000 1.092 819 T CA 1.017 63.106 62.100 -0.018 0.000 1.121 819 T CB 0.067 68.903 68.868 -0.053 0.000 0.912 819 T HN 0.313 nan 8.240 nan 0.000 0.489 820 G N 1.159 109.966 108.800 0.012 0.000 2.168 820 G HA2 -0.249 3.700 3.960 -0.018 0.000 0.263 820 G HA3 -0.249 3.700 3.960 -0.018 0.000 0.263 820 G C -0.096 174.808 174.900 0.007 0.000 0.977 820 G CA 0.552 45.649 45.100 -0.006 0.000 0.659 820 G HN 0.772 nan 8.290 nan 0.000 0.533 821 H N 0.763 119.791 119.070 -0.072 0.000 2.525 821 H HA 0.545 5.091 4.556 -0.018 0.000 0.340 821 H C -2.189 173.101 175.328 -0.063 0.000 1.168 821 H CA -1.888 54.118 56.048 -0.070 0.000 1.247 821 H CB 1.003 30.731 29.762 -0.057 0.000 1.568 821 H HN 0.055 nan 8.280 nan 0.000 0.536 822 P HA 0.030 nan 4.420 nan 0.000 0.266 822 P C -0.829 176.484 177.300 0.021 0.000 1.195 822 P CA 0.163 63.289 63.100 0.044 0.000 0.768 822 P CB 0.611 32.370 31.700 0.098 0.000 0.838 823 V N 3.672 123.586 119.914 -0.001 0.000 2.925 823 V HA 0.635 4.744 4.120 -0.018 0.000 0.311 823 V C 0.098 176.153 176.094 -0.065 0.000 1.104 823 V CA -0.686 61.573 62.300 -0.069 0.000 0.954 823 V CB 2.280 34.092 31.823 -0.018 0.000 1.022 823 V HN 0.615 nan 8.190 nan 0.000 0.427 824 R N 1.892 122.302 120.500 -0.150 0.000 2.808 824 R HA 0.928 5.258 4.340 -0.018 0.000 0.272 824 R C -1.452 174.880 176.300 0.053 0.000 0.995 824 R CA -0.617 55.458 56.100 -0.042 0.000 0.917 824 R CB 1.865 32.132 30.300 -0.055 0.000 1.217 824 R HN 0.721 nan 8.270 nan 0.000 0.471 825 C N 3.072 122.433 119.300 0.102 0.000 2.701 825 C HA 0.636 5.086 4.460 -0.018 0.000 0.336 825 C C -0.986 174.080 174.990 0.128 0.000 1.123 825 C CA -0.624 58.478 59.018 0.141 0.000 1.326 825 C CB 1.418 29.231 27.740 0.121 0.000 1.833 825 C HN 1.006 nan 8.230 nan 0.000 0.473 826 M N 6.772 126.454 119.600 0.136 0.000 2.253 826 M HA 0.563 5.032 4.480 -0.018 0.000 0.314 826 M C -1.322 175.040 176.300 0.103 0.000 1.019 826 M CA -0.569 54.796 55.300 0.108 0.000 0.932 826 M CB 1.243 33.899 32.600 0.094 0.000 1.606 826 M HN 0.723 nan 8.290 nan 0.000 0.430 827 L N 3.648 124.933 121.223 0.105 0.000 2.426 827 L HA 0.189 4.519 4.340 -0.018 0.000 0.271 827 L C 0.274 177.191 176.870 0.079 0.000 1.169 827 L CA -0.285 54.615 54.840 0.100 0.000 0.836 827 L CB 0.285 42.415 42.059 0.118 0.000 1.112 827 L HN 0.662 nan 8.230 nan 0.000 0.465 828 D N 1.063 121.503 120.400 0.068 0.000 2.362 828 D HA 0.019 4.648 4.640 -0.018 0.000 0.242 828 D C 0.974 177.295 176.300 0.036 0.000 1.132 828 D CA -0.167 53.861 54.000 0.047 0.000 0.907 828 D CB 1.160 41.987 40.800 0.044 0.000 1.195 828 D HN 0.350 nan 8.370 nan 0.000 0.429 829 R N 1.848 122.351 120.500 0.005 0.000 2.119 829 R HA -0.213 4.117 4.340 -0.018 0.000 0.246 829 R C 1.714 178.002 176.300 -0.021 0.000 1.146 829 R CA 1.959 58.031 56.100 -0.047 0.000 0.962 829 R CB -0.158 30.101 30.300 -0.069 0.000 0.863 829 R HN 0.537 nan 8.270 nan 0.000 0.442 830 N N 0.179 118.887 118.700 0.014 0.000 2.244 830 N HA -0.174 4.555 4.740 -0.018 0.000 0.183 830 N C 1.119 176.651 175.510 0.036 0.000 1.016 830 N CA 1.686 54.752 53.050 0.026 0.000 0.866 830 N CB -0.307 38.204 38.487 0.040 0.000 0.980 830 N HN 0.473 nan 8.380 nan 0.000 0.430 831 E N 0.487 120.717 120.200 0.050 0.000 2.047 831 E HA -0.156 4.184 4.350 -0.018 0.000 0.191 831 E C 1.413 178.051 176.600 0.063 0.000 0.987 831 E CA 0.956 57.395 56.400 0.066 0.000 0.799 831 E CB -0.113 29.634 29.700 0.077 0.000 0.752 831 E HN 0.384 nan 8.360 nan 0.000 0.449 832 D N 0.838 121.281 120.400 0.071 0.000 2.104 832 D HA -0.170 4.460 4.640 -0.018 0.000 0.194 832 D C 2.015 178.363 176.300 0.081 0.000 0.994 832 D CA 1.204 55.273 54.000 0.114 0.000 0.830 832 D CB 0.036 40.948 40.800 0.187 0.000 0.959 832 D HN 0.138 nan 8.370 nan 0.000 0.452 833 M N -0.213 119.396 119.600 0.015 0.000 2.213 833 M HA -0.157 4.313 4.480 -0.018 0.000 0.263 833 M C 2.261 178.566 176.300 0.008 0.000 1.062 833 M CA 0.682 55.966 55.300 -0.027 0.000 1.105 833 M CB -0.050 32.496 32.600 -0.091 0.000 1.385 833 M HN 0.070 nan 8.290 nan 0.000 0.417 834 L N 0.248 121.488 121.223 0.029 0.000 2.095 834 L HA 0.007 4.336 4.340 -0.018 0.000 0.204 834 L C 1.895 178.806 176.870 0.068 0.000 1.080 834 L CA 1.716 56.585 54.840 0.048 0.000 0.759 834 L CB -0.112 41.979 42.059 0.054 0.000 0.914 834 L HN 0.181 nan 8.230 nan 0.000 0.439 835 I N -1.358 119.250 120.570 0.063 0.000 2.731 835 I HA -0.073 4.086 4.170 -0.018 0.000 0.260 835 I C 1.839 177.981 176.117 0.042 0.000 1.138 835 I CA 1.125 62.460 61.300 0.057 0.000 1.461 835 I CB -0.337 37.693 38.000 0.049 0.000 1.128 835 I HN 0.336 nan 8.210 nan 0.000 0.438 836 T N -1.442 113.141 114.554 0.049 0.000 3.107 836 T HA 0.430 4.770 4.350 -0.018 0.000 0.249 836 T C 1.000 175.781 174.700 0.135 0.000 1.096 836 T CA 0.256 62.379 62.100 0.037 0.000 1.012 836 T CB -0.056 68.812 68.868 -0.001 0.000 0.977 836 T HN 0.487 nan 8.240 nan 0.000 0.527 837 G N -0.624 108.262 108.800 0.143 0.000 2.781 837 G HA2 0.360 4.309 3.960 -0.018 0.000 0.683 837 G HA3 0.360 4.309 3.960 -0.018 0.000 0.683 837 G C -0.108 174.947 174.900 0.259 0.000 1.390 837 G CA -0.562 44.636 45.100 0.163 0.000 0.850 837 G HN 1.119 nan 8.290 nan 0.000 0.557 838 G N -0.857 108.057 108.800 0.189 0.000 3.058 838 G HA2 0.797 4.747 3.960 -0.018 0.000 0.282 838 G HA3 0.797 4.747 3.960 -0.018 0.000 0.282 838 G C -0.024 174.981 174.900 0.176 0.000 1.248 838 G CA 0.097 45.293 45.100 0.160 0.000 0.822 838 G HN 0.987 nan 8.290 nan 0.000 0.579 839 R N 0.000 120.604 120.500 0.173 0.000 2.594 839 R HA 0.180 4.509 4.340 -0.018 0.000 0.272 839 R C -0.376 175.979 176.300 0.092 0.000 1.074 839 R CA -0.330 55.855 56.100 0.142 0.000 1.105 839 R CB 0.085 30.266 30.300 -0.198 0.000 1.008 839 R HN 0.579 nan 8.270 nan 0.000 0.472 840 H N 4.541 123.690 119.070 0.132 0.000 2.819 840 H HA 0.122 4.667 4.556 -0.018 0.000 0.303 840 H C -1.919 173.531 175.328 0.203 0.000 1.058 840 H CA -1.586 54.565 56.048 0.172 0.000 1.471 840 H CB 0.898 30.799 29.762 0.233 0.000 1.480 840 H HN 0.457 nan 8.280 nan 0.000 0.517 841 P HA 0.027 nan 4.420 nan 0.000 0.269 841 P C -0.659 176.785 177.300 0.240 0.000 1.209 841 P CA 0.526 63.678 63.100 0.087 0.000 0.776 841 P CB 0.438 32.190 31.700 0.085 0.000 0.876 842 F N 1.367 121.246 119.950 -0.118 0.000 2.551 842 F HA 0.480 4.997 4.527 -0.017 0.000 0.316 842 F C -0.225 175.634 175.800 0.097 0.000 1.089 842 F CA -1.106 56.934 58.000 0.067 0.000 0.915 842 F CB 1.769 40.838 39.000 0.116 0.000 1.186 842 F HN 0.080 nan 8.300 nan 0.000 0.456 843 L N 3.322 124.792 121.223 0.412 0.000 2.329 843 L HA 0.875 5.205 4.340 -0.018 0.000 0.279 843 L C -0.961 176.195 176.870 0.475 0.000 1.014 843 L CA -0.360 54.761 54.840 0.467 0.000 0.814 843 L CB 1.414 43.723 42.059 0.417 0.000 1.257 843 L HN 0.618 nan 8.230 nan 0.000 0.424 844 A N 5.173 128.245 122.820 0.419 0.000 2.371 844 A HA 0.865 5.174 4.320 -0.018 0.000 0.311 844 A C -0.799 176.986 177.584 0.335 0.000 1.068 844 A CA -0.723 51.516 52.037 0.336 0.000 0.744 844 A CB 1.088 20.247 19.000 0.264 0.000 1.239 844 A HN 0.727 nan 8.150 nan 0.000 0.435 845 R N 0.987 121.646 120.500 0.264 0.000 2.387 845 R HA 0.587 4.917 4.340 -0.018 0.000 0.314 845 R C -1.493 174.897 176.300 0.150 0.000 0.958 845 R CA -0.382 55.817 56.100 0.165 0.000 0.846 845 R CB 1.519 31.902 30.300 0.139 0.000 1.147 845 R HN 0.799 nan 8.270 nan 0.000 0.447 846 Y N -0.701 119.637 120.300 0.064 0.000 2.545 846 Y HA 0.671 5.210 4.550 -0.018 0.000 0.348 846 Y C -1.048 174.864 175.900 0.021 0.000 1.002 846 Y CA -1.372 56.748 58.100 0.033 0.000 1.039 846 Y CB 1.841 40.348 38.460 0.078 0.000 1.271 846 Y HN 0.337 nan 8.280 nan 0.000 0.467 847 K N 2.445 122.917 120.400 0.121 0.000 2.535 847 K HA 0.715 5.025 4.320 -0.018 0.000 0.250 847 K C -2.296 174.434 176.600 0.217 0.000 0.948 847 K CA -0.730 55.615 56.287 0.096 0.000 0.796 847 K CB 2.126 34.589 32.500 -0.062 0.000 1.216 847 K HN 0.729 nan 8.250 nan 0.000 0.432 848 V N 1.842 121.895 119.914 0.232 0.000 2.604 848 V HA 0.700 4.809 4.120 -0.018 0.000 0.305 848 V C 0.238 176.563 176.094 0.385 0.000 1.043 848 V CA -0.953 61.418 62.300 0.118 0.000 0.888 848 V CB 1.725 33.487 31.823 -0.101 0.000 0.995 848 V HN 0.865 nan 8.190 nan 0.000 0.429 849 G N 3.262 112.195 108.800 0.221 0.000 2.415 849 G HA2 0.835 4.784 3.960 -0.018 0.000 0.327 849 G HA3 0.835 4.784 3.960 -0.018 0.000 0.327 849 G C -1.178 173.799 174.900 0.127 0.000 1.182 849 G CA -0.490 44.693 45.100 0.137 0.000 0.924 849 G HN 0.807 nan 8.290 nan 0.000 0.470 850 F N 0.255 120.180 119.950 -0.043 0.000 2.662 850 F HA 0.746 5.263 4.527 -0.018 0.000 0.312 850 F C -0.505 175.278 175.800 -0.029 0.000 1.113 850 F CA -1.852 56.114 58.000 -0.055 0.000 0.951 850 F CB 1.353 40.328 39.000 -0.041 0.000 1.344 850 F HN 0.234 nan 8.300 nan 0.000 0.462 851 M N 1.470 121.145 119.600 0.125 0.000 2.267 851 M HA 0.356 4.825 4.480 -0.018 0.000 0.303 851 M C 0.919 177.290 176.300 0.119 0.000 1.164 851 M CA -0.481 54.846 55.300 0.046 0.000 1.060 851 M CB 1.147 33.767 32.600 0.033 0.000 1.455 851 M HN 0.791 nan 8.290 nan 0.000 0.483 852 K N 0.143 120.579 120.400 0.060 0.000 2.362 852 K HA -0.063 4.247 4.320 -0.018 0.000 0.200 852 K C 1.469 178.130 176.600 0.103 0.000 1.046 852 K CA 1.142 57.481 56.287 0.086 0.000 0.952 852 K CB -0.238 32.287 32.500 0.042 0.000 0.753 852 K HN 0.677 nan 8.250 nan 0.000 0.466 853 T N -0.184 114.421 114.554 0.084 0.000 2.962 853 T HA -0.053 4.286 4.350 -0.018 0.000 0.270 853 T C 1.368 176.116 174.700 0.080 0.000 1.088 853 T CA 1.252 63.395 62.100 0.071 0.000 1.127 853 T CB -0.042 68.855 68.868 0.048 0.000 0.883 853 T HN 0.582 nan 8.240 nan 0.000 0.493 854 G N 0.956 109.831 108.800 0.125 0.000 2.194 854 G HA2 -0.244 3.706 3.960 -0.018 0.000 0.236 854 G HA3 -0.244 3.706 3.960 -0.018 0.000 0.236 854 G C 0.344 175.267 174.900 0.037 0.000 0.987 854 G CA 0.118 45.263 45.100 0.075 0.000 0.635 854 G HN 0.518 nan 8.290 nan 0.000 0.520 855 T N 3.145 117.729 114.554 0.050 0.000 2.853 855 T HA 0.470 4.809 4.350 -0.018 0.000 0.298 855 T C 0.875 175.594 174.700 0.032 0.000 0.978 855 T CA 0.011 62.115 62.100 0.007 0.000 1.152 855 T CB 1.034 69.898 68.868 -0.007 0.000 0.914 855 T HN 0.235 nan 8.240 nan 0.000 0.539 856 I N 4.215 124.770 120.570 -0.024 0.000 2.496 856 I HA 0.101 4.261 4.170 -0.018 0.000 0.285 856 I C 1.115 177.180 176.117 -0.087 0.000 1.080 856 I CA -0.055 61.219 61.300 -0.043 0.000 1.404 856 I CB 0.885 38.819 38.000 -0.111 0.000 1.403 856 I HN 0.459 nan 8.210 nan 0.000 0.539 857 V N 4.774 124.621 119.914 -0.112 0.000 3.572 857 V HA 0.421 4.531 4.120 -0.018 0.000 0.260 857 V C 0.528 176.445 176.094 -0.296 0.000 1.324 857 V CA 0.457 62.656 62.300 -0.169 0.000 1.068 857 V CB 0.735 32.476 31.823 -0.136 0.000 0.837 857 V HN 0.865 nan 8.190 nan 0.000 0.450 858 A N 0.549 123.116 122.820 -0.422 0.000 2.566 858 A HA 0.813 5.123 4.320 -0.018 0.000 0.297 858 A C -2.004 175.237 177.584 -0.571 0.000 1.059 858 A CA -0.332 51.306 52.037 -0.665 0.000 0.691 858 A CB 2.198 20.355 19.000 -1.404 0.000 1.282 858 A HN 0.187 nan 8.150 nan 0.000 0.401 859 L N 0.756 121.739 121.223 -0.399 0.000 2.464 859 L HA 0.792 5.122 4.340 -0.018 0.000 0.266 859 L C -0.718 176.119 176.870 -0.054 0.000 0.965 859 L CA 0.008 54.684 54.840 -0.273 0.000 0.833 859 L CB 2.025 43.822 42.059 -0.436 0.000 1.296 859 L HN 0.842 nan 8.230 nan 0.000 0.405 860 E N 3.992 124.242 120.200 0.083 0.000 2.218 860 E HA 0.705 5.045 4.350 -0.018 0.000 0.263 860 E C -2.024 174.624 176.600 0.081 0.000 0.879 860 E CA -0.701 55.768 56.400 0.116 0.000 0.762 860 E CB 1.953 31.770 29.700 0.195 0.000 1.166 860 E HN 0.491 nan 8.360 nan 0.000 0.415 861 V N 4.048 124.003 119.914 0.069 0.000 2.525 861 V HA 0.323 4.432 4.120 -0.018 0.000 0.299 861 V C -1.025 175.042 176.094 -0.044 0.000 1.034 861 V CA -1.005 61.304 62.300 0.015 0.000 0.863 861 V CB 1.898 33.704 31.823 -0.028 0.000 0.999 861 V HN 0.720 nan 8.190 nan 0.000 0.423 862 D N 2.642 123.007 120.400 -0.058 0.000 2.303 862 D HA 0.503 5.132 4.640 -0.018 0.000 0.236 862 D C -0.562 175.631 176.300 -0.179 0.000 1.068 862 D CA -0.197 53.747 54.000 -0.093 0.000 0.830 862 D CB 1.288 42.085 40.800 -0.006 0.000 1.109 862 D HN 0.608 nan 8.370 nan 0.000 0.496 863 H N 1.062 120.018 119.070 -0.191 0.000 2.472 863 H HA 0.453 4.998 4.556 -0.018 0.000 0.338 863 H C -0.798 174.247 175.328 -0.472 0.000 1.133 863 H CA -0.426 55.583 56.048 -0.065 0.000 1.216 863 H CB 1.023 30.866 29.762 0.135 0.000 1.497 863 H HN 0.296 nan 8.280 nan 0.000 0.500 864 Y N 0.432 120.774 120.300 0.071 0.000 2.373 864 Y HA 0.354 4.893 4.550 -0.018 0.000 0.336 864 Y C -0.290 175.426 175.900 -0.307 0.000 0.979 864 Y CA -0.938 57.129 58.100 -0.055 0.000 1.080 864 Y CB 1.925 40.431 38.460 0.076 0.000 1.190 864 Y HN 0.653 nan 8.280 nan 0.000 0.446 865 S N 1.672 117.173 115.700 -0.332 0.000 2.509 865 S HA 0.375 4.835 4.470 -0.018 0.000 0.297 865 S C -0.585 174.011 174.600 -0.006 0.000 1.118 865 S CA -0.981 56.946 58.200 -0.456 0.000 1.074 865 S CB 1.472 64.254 63.200 -0.698 0.000 1.038 865 S HN 0.635 nan 8.310 nan 0.000 0.498 866 N N 1.506 120.250 118.700 0.073 0.000 2.448 866 N HA 0.316 5.046 4.740 -0.018 0.000 0.250 866 N C 0.753 176.340 175.510 0.127 0.000 1.136 866 N CA -0.148 52.962 53.050 0.100 0.000 0.953 866 N CB 0.977 39.511 38.487 0.077 0.000 1.251 866 N HN 0.797 nan 8.380 nan 0.000 0.502 867 A N 2.488 125.425 122.820 0.196 0.000 2.081 867 A HA 0.375 4.685 4.320 -0.018 0.000 0.214 867 A C 1.201 178.875 177.584 0.151 0.000 1.158 867 A CA 0.927 53.126 52.037 0.270 0.000 0.724 867 A CB -0.585 18.670 19.000 0.425 0.000 0.826 867 A HN 0.861 nan 8.150 nan 0.000 0.463 868 G N 0.544 109.412 108.800 0.113 0.000 2.584 868 G HA2 -0.261 3.689 3.960 -0.018 0.000 0.229 868 G HA3 -0.261 3.689 3.960 -0.018 0.000 0.229 868 G C 0.205 175.192 174.900 0.146 0.000 1.320 868 G CA 0.236 45.373 45.100 0.060 0.000 0.891 868 G HN 1.038 nan 8.290 nan 0.000 0.573 869 N N 0.309 119.050 118.700 0.068 0.000 2.322 869 N HA 0.283 5.012 4.740 -0.018 0.000 0.194 869 N C 0.643 176.221 175.510 0.113 0.000 1.126 869 N CA 1.232 54.324 53.050 0.069 0.000 0.845 869 N CB 0.088 38.529 38.487 -0.076 0.000 0.976 869 N HN 1.673 nan 8.380 nan 0.000 0.475 870 S N -1.379 114.371 115.700 0.083 0.000 2.671 870 S HA 0.512 4.972 4.470 -0.018 0.000 0.277 870 S C 0.559 174.953 174.600 -0.343 0.000 1.165 870 S CA -0.909 57.248 58.200 -0.071 0.000 0.822 870 S CB 2.186 65.375 63.200 -0.019 0.000 1.150 870 S HN -0.017 nan 8.310 nan 0.000 0.479 871 R N 0.574 120.783 120.500 -0.485 0.000 2.061 871 R HA 0.090 4.419 4.340 -0.018 0.000 0.230 871 R C 0.846 177.146 176.300 0.001 0.000 1.140 871 R CA 1.524 57.345 56.100 -0.465 0.000 0.940 871 R CB -0.828 29.205 30.300 -0.445 0.000 0.839 871 R HN 0.905 nan 8.270 nan 0.000 0.429 872 D N -1.025 119.497 120.400 0.203 0.000 3.417 872 D HA -0.290 4.340 4.640 -0.018 0.000 0.163 872 D C 0.186 176.714 176.300 0.379 0.000 1.070 872 D CA 2.089 56.255 54.000 0.277 0.000 1.047 872 D CB -0.757 40.166 40.800 0.206 0.000 0.514 872 D HN 0.100 nan 8.370 nan 0.000 0.532 873 L N 0.295 121.714 121.223 0.326 0.000 2.629 873 L HA 0.223 4.553 4.340 -0.018 0.000 0.230 873 L C 2.004 178.970 176.870 0.160 0.000 1.151 873 L CA 0.146 55.191 54.840 0.342 0.000 0.924 873 L CB -0.035 42.285 42.059 0.434 0.000 1.137 873 L HN 0.162 nan 8.230 nan 0.000 0.457 874 S N -0.579 115.197 115.700 0.128 0.000 2.383 874 S HA -0.259 4.201 4.470 -0.018 0.000 0.229 874 S C 1.885 176.427 174.600 -0.095 0.000 1.030 874 S CA 1.553 59.721 58.200 -0.052 0.000 1.002 874 S CB -0.245 63.027 63.200 0.121 0.000 0.829 874 S HN 0.600 nan 8.310 nan 0.000 0.467 875 H N 1.236 120.262 119.070 -0.073 0.000 2.326 875 H HA 0.032 4.578 4.556 -0.017 0.000 0.301 875 H C 2.182 177.487 175.328 -0.037 0.000 1.081 875 H CA 1.865 57.859 56.048 -0.090 0.000 1.334 875 H CB -0.248 29.439 29.762 -0.125 0.000 1.385 875 H HN 0.227 nan 8.280 nan 0.000 0.504 876 S N -0.273 115.525 115.700 0.162 0.000 2.383 876 S HA -0.085 4.375 4.470 -0.018 0.000 0.227 876 S C 2.208 176.883 174.600 0.124 0.000 1.026 876 S CA 1.145 59.503 58.200 0.263 0.000 0.981 876 S CB -0.169 63.365 63.200 0.557 0.000 0.818 876 S HN 0.373 nan 8.310 nan 0.000 0.472 877 I N 0.915 121.296 120.570 -0.314 0.000 2.163 877 I HA -0.235 3.925 4.170 -0.018 0.000 0.243 877 I C 2.466 178.453 176.117 -0.217 0.000 1.085 877 I CA 1.214 62.146 61.300 -0.613 0.000 1.347 877 I CB -0.236 37.255 38.000 -0.848 0.000 1.044 877 I HN 0.300 nan 8.210 nan 0.000 0.408 878 M N 0.701 120.169 119.600 -0.220 0.000 2.175 878 M HA -0.173 4.296 4.480 -0.018 0.000 0.264 878 M C 2.039 178.210 176.300 -0.214 0.000 1.063 878 M CA 1.764 56.964 55.300 -0.167 0.000 1.119 878 M CB -0.492 31.943 32.600 -0.275 0.000 1.377 878 M HN 0.108 nan 8.290 nan 0.000 0.415 879 E N -0.521 119.514 120.200 -0.274 0.000 2.038 879 E HA -0.285 4.055 4.350 -0.018 0.000 0.195 879 E C 2.239 178.712 176.600 -0.212 0.000 1.000 879 E CA 1.600 57.843 56.400 -0.262 0.000 0.803 879 E CB -0.336 29.306 29.700 -0.098 0.000 0.750 879 E HN 0.517 nan 8.360 nan 0.000 0.448 880 R N 0.537 121.113 120.500 0.126 0.000 2.091 880 R HA -0.174 4.155 4.340 -0.018 0.000 0.238 880 R C 2.286 178.730 176.300 0.240 0.000 1.136 880 R CA 1.354 57.668 56.100 0.357 0.000 0.959 880 R CB -0.232 30.314 30.300 0.409 0.000 0.856 880 R HN 0.144 nan 8.270 nan 0.000 0.437 881 A N 1.123 123.964 122.820 0.034 0.000 1.883 881 A HA -0.181 4.128 4.320 -0.018 0.000 0.217 881 A C 2.207 179.753 177.584 -0.063 0.000 1.186 881 A CA 1.499 53.500 52.037 -0.059 0.000 0.624 881 A CB -0.679 18.249 19.000 -0.119 0.000 0.822 881 A HN 0.370 nan 8.150 nan 0.000 0.444 882 L N -1.880 119.252 121.223 -0.152 0.000 2.083 882 L HA -0.173 4.156 4.340 -0.018 0.000 0.209 882 L C 2.446 179.380 176.870 0.106 0.000 1.083 882 L CA 1.298 56.080 54.840 -0.096 0.000 0.752 882 L CB -0.573 41.395 42.059 -0.151 0.000 0.899 882 L HN 0.460 nan 8.230 nan 0.000 0.433 883 F N -1.174 118.804 119.950 0.047 0.000 2.333 883 F HA -0.186 4.331 4.527 -0.018 0.000 0.300 883 F C 2.074 177.877 175.800 0.006 0.000 1.083 883 F CA 0.644 58.535 58.000 -0.182 0.000 1.395 883 F CB -0.104 38.662 39.000 -0.390 0.000 1.056 883 F HN 0.236 nan 8.300 nan 0.000 0.529 884 H N -0.205 119.044 119.070 0.298 0.000 2.592 884 H HA 0.161 4.706 4.556 -0.018 0.000 0.279 884 H C 1.877 177.268 175.328 0.105 0.000 1.089 884 H CA 0.265 56.421 56.048 0.180 0.000 1.150 884 H CB 0.030 29.791 29.762 -0.001 0.000 1.575 884 H HN 0.423 nan 8.280 nan 0.000 0.547 885 M N 0.316 120.028 119.600 0.187 0.000 2.557 885 M HA -0.048 4.421 4.480 -0.018 0.000 0.259 885 M C 1.072 177.426 176.300 0.090 0.000 1.086 885 M CA 1.319 56.703 55.300 0.139 0.000 1.096 885 M CB -0.125 32.596 32.600 0.202 0.000 1.424 885 M HN -0.093 nan 8.290 nan 0.000 0.488 886 D N -0.358 120.032 120.400 -0.017 0.000 2.317 886 D HA -0.085 4.544 4.640 -0.018 0.000 0.211 886 D C 0.962 177.297 176.300 0.058 0.000 0.966 886 D CA 0.557 54.589 54.000 0.052 0.000 0.876 886 D CB -0.590 40.278 40.800 0.113 0.000 0.927 886 D HN 0.519 nan 8.370 nan 0.000 0.519 887 N N 0.149 118.853 118.700 0.006 0.000 1.154 887 N HA -0.316 4.414 4.740 -0.018 0.000 0.135 887 N C 0.016 175.430 175.510 -0.160 0.000 0.562 887 N CA 2.637 55.614 53.050 -0.122 0.000 0.947 887 N CB -1.265 37.063 38.487 -0.265 0.000 1.354 887 N HN 0.360 nan 8.380 nan 0.000 0.505 888 C N -0.104 118.823 119.300 -0.623 0.000 2.668 888 C HA 0.404 4.853 4.460 -0.018 0.000 0.301 888 C C -0.592 173.982 174.990 -0.693 0.000 1.351 888 C CA -0.492 58.288 59.018 -0.397 0.000 1.757 888 C CB -2.056 25.485 27.740 -0.332 0.000 2.179 888 C HN 0.336 nan 8.230 nan 0.000 0.586 889 Y N 0.488 120.534 120.300 -0.424 0.000 2.352 889 Y HA 0.450 4.990 4.550 -0.017 0.000 0.339 889 Y C 0.237 175.518 175.900 -1.031 0.000 0.992 889 Y CA -1.046 56.685 58.100 -0.615 0.000 1.100 889 Y CB 0.868 39.177 38.460 -0.253 0.000 1.192 889 Y HN -0.172 nan 8.280 nan 0.000 0.458 890 K N 3.777 123.667 120.400 -0.849 0.000 2.312 890 K HA 0.468 4.778 4.320 -0.018 0.000 0.287 890 K C -1.531 174.917 176.600 -0.253 0.000 1.062 890 K CA 0.222 56.127 56.287 -0.635 0.000 0.934 890 K CB -0.063 32.194 32.500 -0.405 0.000 1.027 890 K HN 0.673 nan 8.250 nan 0.000 0.478 891 I N 8.481 128.958 120.570 -0.155 0.000 2.476 891 I HA 0.256 4.415 4.170 -0.018 0.000 0.281 891 I C -1.561 174.510 176.117 -0.076 0.000 1.040 891 I CA -1.769 59.466 61.300 -0.109 0.000 1.094 891 I CB 2.126 40.069 38.000 -0.095 0.000 1.219 891 I HN 0.632 nan 8.210 nan 0.000 0.450 892 P HA -0.019 nan 4.420 nan 0.000 0.222 892 P C -0.275 176.988 177.300 -0.063 0.000 1.153 892 P CA 1.036 64.098 63.100 -0.063 0.000 0.798 892 P CB 0.281 31.937 31.700 -0.072 0.000 0.796 893 N N 0.549 119.185 118.700 -0.107 0.000 2.483 893 N HA 0.423 5.153 4.740 -0.018 0.000 0.267 893 N C -0.845 174.590 175.510 -0.123 0.000 0.998 893 N CA -0.322 52.660 53.050 -0.113 0.000 0.918 893 N CB 2.251 40.635 38.487 -0.172 0.000 1.215 893 N HN 0.098 nan 8.380 nan 0.000 0.500 894 I N 0.832 121.378 120.570 -0.041 0.000 2.752 894 I HA 0.437 4.597 4.170 -0.018 0.000 0.295 894 I C -1.388 174.762 176.117 0.055 0.000 1.219 894 I CA -0.738 60.555 61.300 -0.013 0.000 1.030 894 I CB 2.409 40.414 38.000 0.007 0.000 1.259 894 I HN 0.343 nan 8.210 nan 0.000 0.423 895 R N 5.272 125.813 120.500 0.068 0.000 2.510 895 R HA 0.636 4.966 4.340 -0.018 0.000 0.294 895 R C -1.474 174.899 176.300 0.123 0.000 1.056 895 R CA -0.556 55.608 56.100 0.107 0.000 0.918 895 R CB 1.865 32.224 30.300 0.097 0.000 1.187 895 R HN 0.810 nan 8.270 nan 0.000 0.437 896 G N 1.824 110.723 108.800 0.165 0.000 2.461 896 G HA2 0.523 4.472 3.960 -0.018 0.000 0.323 896 G HA3 0.523 4.472 3.960 -0.018 0.000 0.323 896 G C -0.642 174.362 174.900 0.174 0.000 1.229 896 G CA -0.437 44.789 45.100 0.210 0.000 0.941 896 G HN 0.578 nan 8.290 nan 0.000 0.477 897 T N -1.257 113.394 114.554 0.161 0.000 2.916 897 T HA 0.855 5.195 4.350 -0.018 0.000 0.292 897 T C -0.047 174.674 174.700 0.036 0.000 1.064 897 T CA -0.604 61.527 62.100 0.052 0.000 1.011 897 T CB 2.344 71.191 68.868 -0.035 0.000 1.152 897 T HN 1.239 nan 8.240 nan 0.000 0.510 898 G N 0.265 108.997 108.800 -0.113 0.000 2.719 898 G HA2 0.633 4.582 3.960 -0.018 0.000 0.298 898 G HA3 0.633 4.582 3.960 -0.018 0.000 0.298 898 G C -1.634 173.090 174.900 -0.294 0.000 1.411 898 G CA -0.955 44.027 45.100 -0.197 0.000 0.991 898 G HN 0.730 nan 8.290 nan 0.000 0.509 899 R N 0.445 120.725 120.500 -0.367 0.000 2.744 899 R HA 0.651 4.980 4.340 -0.018 0.000 0.279 899 R C -0.835 175.416 176.300 -0.082 0.000 0.977 899 R CA -0.834 55.090 56.100 -0.294 0.000 0.906 899 R CB 1.601 31.603 30.300 -0.497 0.000 1.197 899 R HN 0.418 nan 8.270 nan 0.000 0.463 900 L N 3.225 124.480 121.223 0.054 0.000 2.265 900 L HA 0.485 4.814 4.340 -0.018 0.000 0.289 900 L C -0.445 176.625 176.870 0.334 0.000 1.033 900 L CA -0.979 53.967 54.840 0.177 0.000 0.814 900 L CB 1.499 43.697 42.059 0.232 0.000 1.203 900 L HN 0.531 nan 8.230 nan 0.000 0.423 901 C N 3.047 122.516 119.300 0.282 0.000 2.499 901 C HA 0.159 4.608 4.460 -0.018 0.000 0.386 901 C C 0.812 175.784 174.990 -0.031 0.000 1.293 901 C CA -0.646 58.463 59.018 0.152 0.000 1.884 901 C CB 0.201 28.006 27.740 0.108 0.000 2.509 901 C HN 0.687 nan 8.230 nan 0.000 0.566 902 K N 3.302 123.506 120.400 -0.328 0.000 2.267 902 K HA 0.457 4.766 4.320 -0.018 0.000 0.282 902 K C 0.062 176.487 176.600 -0.292 0.000 1.078 902 K CA 0.155 56.106 56.287 -0.560 0.000 0.903 902 K CB 0.474 32.355 32.500 -1.032 0.000 1.111 902 K HN 0.928 nan 8.250 nan 0.000 0.475 903 T N 0.143 114.607 114.554 -0.149 0.000 2.883 903 T HA 0.313 4.652 4.350 -0.018 0.000 0.296 903 T C -0.220 174.407 174.700 -0.121 0.000 1.117 903 T CA -1.101 60.915 62.100 -0.140 0.000 1.006 903 T CB 1.099 69.898 68.868 -0.115 0.000 1.191 903 T HN 0.452 nan 8.240 nan 0.000 0.508 904 N N 1.589 120.204 118.700 -0.141 0.000 3.331 904 N HA 0.342 5.071 4.740 -0.018 0.000 0.303 904 N C -0.911 174.542 175.510 -0.095 0.000 1.326 904 N CA -0.014 52.959 53.050 -0.128 0.000 1.207 904 N CB -0.336 38.071 38.487 -0.132 0.000 1.477 904 N HN 0.498 nan 8.380 nan 0.000 0.541 905 L N -0.172 120.998 121.223 -0.089 0.000 2.393 905 L HA 0.332 4.662 4.340 -0.018 0.000 0.260 905 L C 0.380 177.226 176.870 -0.039 0.000 1.002 905 L CA -0.860 53.934 54.840 -0.077 0.000 0.818 905 L CB 1.933 43.905 42.059 -0.146 0.000 1.369 905 L HN -0.017 nan 8.230 nan 0.000 0.412 906 S N 0.834 116.534 115.700 -0.000 0.000 2.573 906 S HA -0.062 4.397 4.470 -0.018 0.000 0.297 906 S C 0.301 174.902 174.600 0.003 0.000 1.280 906 S CA 0.035 58.239 58.200 0.006 0.000 1.061 906 S CB 0.536 63.767 63.200 0.051 0.000 0.812 906 S HN 0.577 nan 8.310 nan 0.000 0.500 907 S N 3.335 119.036 115.700 0.001 0.000 2.544 907 S HA 0.038 4.497 4.470 -0.018 0.000 0.290 907 S C 0.327 174.936 174.600 0.015 0.000 1.276 907 S CA -0.525 57.686 58.200 0.019 0.000 1.075 907 S CB -0.203 63.016 63.200 0.032 0.000 0.849 907 S HN 0.616 nan 8.310 nan 0.000 0.494 908 N N 2.679 121.330 118.700 -0.080 0.000 2.445 908 N HA 0.424 5.154 4.740 -0.018 0.000 0.264 908 N C 0.203 175.712 175.510 -0.002 0.000 1.227 908 N CA -0.154 52.769 53.050 -0.211 0.000 0.963 908 N CB 1.556 39.602 38.487 -0.736 0.000 1.188 908 N HN 0.675 nan 8.380 nan 0.000 0.491 909 T N -1.331 113.335 114.554 0.186 0.000 2.618 909 T HA 0.625 4.964 4.350 -0.018 0.000 0.286 909 T C -1.202 173.785 174.700 0.479 0.000 1.027 909 T CA -0.532 61.796 62.100 0.381 0.000 1.063 909 T CB 0.483 69.543 68.868 0.321 0.000 1.440 909 T HN 0.479 nan 8.240 nan 0.000 0.505 910 A N 1.123 124.240 122.820 0.494 0.000 2.511 910 A HA 0.569 4.879 4.320 -0.018 0.000 0.242 910 A C -0.720 177.283 177.584 0.699 0.000 1.069 910 A CA 0.139 52.550 52.037 0.622 0.000 0.763 910 A CB -0.721 18.688 19.000 0.680 0.000 1.001 910 A HN 0.707 nan 8.150 nan 0.000 0.498 911 F N 1.985 122.225 119.950 0.483 0.000 2.588 911 F HA 0.424 4.941 4.527 -0.017 0.000 0.318 911 F C 0.477 176.472 175.800 0.326 0.000 1.155 911 F CA -1.111 57.136 58.000 0.413 0.000 0.967 911 F CB 1.231 40.321 39.000 0.149 0.000 1.236 911 F HN 0.779 nan 8.300 nan 0.000 0.455 912 R N 3.952 124.913 120.500 0.770 0.000 3.958 912 R HA 0.013 4.343 4.340 -0.018 0.000 0.186 912 R C 0.927 177.433 176.300 0.344 0.000 0.520 912 R CA 2.049 58.445 56.100 0.494 0.000 0.917 912 R CB -0.616 29.984 30.300 0.500 0.000 1.014 912 R HN 1.159 nan 8.270 nan 0.000 0.296 913 G N 3.703 112.677 108.800 0.289 0.000 2.376 913 G HA2 -0.312 3.638 3.960 -0.018 0.000 0.208 913 G HA3 -0.312 3.638 3.960 -0.018 0.000 0.208 913 G C 0.278 175.463 174.900 0.475 0.000 1.032 913 G CA -0.057 45.222 45.100 0.299 0.000 0.641 913 G HN 0.835 nan 8.290 nan 0.000 0.503 914 F N 0.712 120.796 119.950 0.223 0.000 2.983 914 F HA 0.075 4.591 4.527 -0.018 0.000 0.288 914 F C 1.759 177.621 175.800 0.103 0.000 0.980 914 F CA 2.554 60.673 58.000 0.199 0.000 0.965 914 F CB -1.001 38.126 39.000 0.212 0.000 0.967 914 F HN 2.090 nan 8.300 nan 0.000 0.800 915 G N -0.439 108.362 108.800 0.001 0.000 2.299 915 G HA2 -0.269 3.681 3.960 -0.018 0.000 0.237 915 G HA3 -0.269 3.681 3.960 -0.018 0.000 0.237 915 G C 1.582 176.368 174.900 -0.190 0.000 1.027 915 G CA 0.752 45.762 45.100 -0.150 0.000 0.619 915 G HN 1.555 nan 8.290 nan 0.000 0.513 916 G N 1.885 110.636 108.800 -0.083 0.000 2.480 916 G HA2 0.023 3.973 3.960 -0.018 0.000 0.216 916 G HA3 0.023 3.973 3.960 -0.018 0.000 0.216 916 G C 0.118 174.947 174.900 -0.118 0.000 1.200 916 G CA 2.080 47.067 45.100 -0.189 0.000 0.782 916 G HN 0.545 nan 8.290 nan 0.000 0.554 917 P HA -0.105 nan 4.420 nan 0.000 0.216 917 P C 1.814 179.172 177.300 0.098 0.000 1.153 917 P CA 1.475 64.669 63.100 0.156 0.000 0.858 917 P CB -0.038 31.765 31.700 0.172 0.000 0.789 918 Q N -0.517 119.190 119.800 -0.155 0.000 2.050 918 Q HA -0.112 4.218 4.340 -0.018 0.000 0.202 918 Q C 2.308 178.209 176.000 -0.165 0.000 0.980 918 Q CA 2.079 57.711 55.803 -0.286 0.000 0.840 918 Q CB -1.332 26.812 28.738 -0.990 0.000 0.898 918 Q HN 0.173 nan 8.270 nan 0.000 0.424 919 A N 0.205 122.876 122.820 -0.249 0.000 1.930 919 A HA -0.108 4.201 4.320 -0.018 0.000 0.217 919 A C 2.040 179.583 177.584 -0.069 0.000 1.175 919 A CA 1.081 53.081 52.037 -0.061 0.000 0.627 919 A CB -0.608 18.357 19.000 -0.059 0.000 0.815 919 A HN 0.323 nan 8.150 nan 0.000 0.443 920 L N -2.142 118.925 121.223 -0.260 0.000 2.109 920 L HA -0.087 4.242 4.340 -0.018 0.000 0.207 920 L C 2.423 179.053 176.870 -0.401 0.000 1.086 920 L CA 1.239 55.704 54.840 -0.625 0.000 0.760 920 L CB -0.510 40.614 42.059 -1.559 0.000 0.910 920 L HN 0.494 nan 8.230 nan 0.000 0.437 921 F N 1.017 120.901 119.950 -0.110 0.000 2.134 921 F HA -0.221 4.295 4.527 -0.018 0.000 0.299 921 F C 2.229 178.037 175.800 0.013 0.000 1.097 921 F CA 1.477 59.591 58.000 0.190 0.000 1.264 921 F CB -0.174 38.948 39.000 0.203 0.000 1.001 921 F HN -0.113 nan 8.300 nan 0.000 0.479 922 I N 0.299 120.813 120.570 -0.094 0.000 2.179 922 I HA -0.321 3.839 4.170 -0.018 0.000 0.242 922 I C 2.728 178.574 176.117 -0.451 0.000 1.088 922 I CA 1.258 62.438 61.300 -0.200 0.000 1.357 922 I CB -1.001 37.047 38.000 0.079 0.000 1.051 922 I HN 0.253 nan 8.210 nan 0.000 0.409 923 A N 0.369 122.925 122.820 -0.440 0.000 1.883 923 A HA -0.217 4.092 4.320 -0.018 0.000 0.217 923 A C 2.237 179.035 177.584 -1.310 0.000 1.186 923 A CA 1.660 53.123 52.037 -0.957 0.000 0.624 923 A CB -0.475 18.273 19.000 -0.421 0.000 0.822 923 A HN 0.341 nan 8.150 nan 0.000 0.444 924 E N -0.219 119.543 120.200 -0.730 0.000 2.150 924 E HA -0.169 4.170 4.350 -0.018 0.000 0.193 924 E C 1.805 177.839 176.600 -0.943 0.000 0.985 924 E CA 1.202 57.128 56.400 -0.791 0.000 0.814 924 E CB -0.508 28.803 29.700 -0.648 0.000 0.752 924 E HN 0.720 nan 8.360 nan 0.000 0.466 925 N N 1.215 119.494 118.700 -0.702 0.000 2.058 925 N HA -0.164 4.565 4.740 -0.018 0.000 0.191 925 N C 1.922 177.188 175.510 -0.406 0.000 1.037 925 N CA 2.073 54.871 53.050 -0.420 0.000 0.848 925 N CB -0.399 37.803 38.487 -0.474 0.000 1.021 925 N HN 0.392 nan 8.380 nan 0.000 0.422 926 W N -0.638 120.372 121.300 -0.483 0.000 2.402 926 W HA -0.075 4.575 4.660 -0.018 0.000 0.286 926 W C 1.685 177.995 176.519 -0.348 0.000 1.221 926 W CA 0.264 57.352 57.345 -0.429 0.000 1.257 926 W CB -0.796 28.372 29.460 -0.486 0.000 1.120 926 W HN 0.148 nan 8.180 nan 0.000 0.551 927 M N 3.307 122.573 119.600 -0.556 0.000 2.175 927 M HA -0.176 4.293 4.480 -0.018 0.000 0.264 927 M C 2.608 178.694 176.300 -0.356 0.000 1.063 927 M CA 2.703 57.704 55.300 -0.497 0.000 1.119 927 M CB -0.827 31.239 32.600 -0.890 0.000 1.377 927 M HN 0.091 nan 8.290 nan 0.000 0.415 928 S N -0.573 114.903 115.700 -0.372 0.000 2.382 928 S HA -0.170 4.290 4.470 -0.018 0.000 0.228 928 S C 1.763 176.283 174.600 -0.133 0.000 1.027 928 S CA 1.547 59.608 58.200 -0.231 0.000 0.991 928 S CB -0.856 62.228 63.200 -0.193 0.000 0.823 928 S HN 0.697 nan 8.310 nan 0.000 0.469 929 E N 0.759 120.893 120.200 -0.111 0.000 2.152 929 E HA -0.033 4.306 4.350 -0.018 0.000 0.192 929 E C 2.174 178.694 176.600 -0.133 0.000 0.983 929 E CA 1.058 57.429 56.400 -0.050 0.000 0.818 929 E CB -0.341 29.390 29.700 0.052 0.000 0.758 929 E HN 0.421 nan 8.360 nan 0.000 0.467 930 V N 1.695 121.426 119.914 -0.305 0.000 2.255 930 V HA -0.300 3.809 4.120 -0.018 0.000 0.247 930 V C 2.412 178.307 176.094 -0.330 0.000 1.051 930 V CA 2.021 63.915 62.300 -0.677 0.000 1.018 930 V CB -0.755 30.634 31.823 -0.723 0.000 0.641 930 V HN 0.314 nan 8.190 nan 0.000 0.445 931 A N -0.455 122.248 122.820 -0.194 0.000 1.902 931 A HA -0.157 4.153 4.320 -0.018 0.000 0.217 931 A C 2.384 179.959 177.584 -0.016 0.000 1.181 931 A CA 2.075 54.063 52.037 -0.081 0.000 0.623 931 A CB -0.660 18.303 19.000 -0.062 0.000 0.818 931 A HN 0.341 nan 8.150 nan 0.000 0.443 932 V N -0.399 119.507 119.914 -0.013 0.000 2.358 932 V HA -0.206 3.904 4.120 -0.018 0.000 0.246 932 V C 2.735 178.870 176.094 0.069 0.000 1.047 932 V CA 2.445 64.767 62.300 0.037 0.000 1.035 932 V CB -1.157 30.691 31.823 0.041 0.000 0.658 932 V HN 0.603 nan 8.190 nan 0.000 0.452 933 T N -1.315 113.289 114.554 0.083 0.000 2.821 933 T HA -0.193 4.147 4.350 -0.018 0.000 0.267 933 T C 1.784 176.597 174.700 0.188 0.000 1.046 933 T CA 1.822 64.025 62.100 0.172 0.000 1.139 933 T CB -0.426 68.632 68.868 0.317 0.000 0.871 933 T HN 0.531 nan 8.240 nan 0.000 0.454 934 C N 0.894 120.294 119.300 0.167 0.000 2.500 934 C HA 0.408 4.857 4.460 -0.018 0.000 0.273 934 C C 2.098 177.148 174.990 0.099 0.000 1.428 934 C CA -0.302 58.810 59.018 0.155 0.000 1.766 934 C CB -1.414 26.411 27.740 0.142 0.000 1.817 934 C HN 0.799 nan 8.230 nan 0.000 0.543 935 G N 1.006 109.856 108.800 0.082 0.000 2.273 935 G HA2 -0.245 3.704 3.960 -0.018 0.000 0.280 935 G HA3 -0.245 3.704 3.960 -0.018 0.000 0.280 935 G C -0.252 174.686 174.900 0.063 0.000 1.047 935 G CA 0.131 45.272 45.100 0.068 0.000 0.869 935 G HN 0.551 nan 8.290 nan 0.000 0.502 936 L N -0.676 120.584 121.223 0.061 0.000 2.333 936 L HA 0.537 4.867 4.340 -0.018 0.000 0.269 936 L C -2.020 174.894 176.870 0.072 0.000 1.010 936 L CA -2.661 52.219 54.840 0.066 0.000 0.818 936 L CB 2.011 44.109 42.059 0.064 0.000 1.306 936 L HN -0.145 nan 8.230 nan 0.000 0.430 937 P HA 0.038 nan 4.420 nan 0.000 0.268 937 P C 0.126 177.500 177.300 0.124 0.000 1.204 937 P CA -0.004 63.170 63.100 0.124 0.000 0.768 937 P CB 0.980 32.780 31.700 0.167 0.000 0.842 938 A N 4.110 127.001 122.820 0.118 0.000 1.917 938 A HA -0.256 4.053 4.320 -0.018 0.000 0.219 938 A C 1.746 179.420 177.584 0.149 0.000 1.182 938 A CA 1.879 53.970 52.037 0.090 0.000 0.633 938 A CB -0.987 18.060 19.000 0.077 0.000 0.819 938 A HN 0.590 nan 8.150 nan 0.000 0.448 939 E N 0.140 120.470 120.200 0.217 0.000 2.110 939 E HA -0.174 4.166 4.350 -0.018 0.000 0.193 939 E C 1.829 178.664 176.600 0.392 0.000 0.988 939 E CA 1.277 57.888 56.400 0.351 0.000 0.804 939 E CB -0.390 29.409 29.700 0.165 0.000 0.745 939 E HN 0.858 nan 8.360 nan 0.000 0.458 940 E N 0.975 121.340 120.200 0.274 0.000 2.072 940 E HA -0.154 4.186 4.350 -0.018 0.000 0.191 940 E C 1.910 178.626 176.600 0.195 0.000 0.985 940 E CA 1.267 57.817 56.400 0.249 0.000 0.801 940 E CB 0.119 29.929 29.700 0.183 0.000 0.750 940 E HN 0.166 nan 8.360 nan 0.000 0.452 941 V N 1.398 121.375 119.914 0.106 0.000 2.358 941 V HA -0.226 3.883 4.120 -0.018 0.000 0.246 941 V C 2.512 178.565 176.094 -0.069 0.000 1.047 941 V CA 1.994 64.296 62.300 0.004 0.000 1.035 941 V CB -0.583 31.209 31.823 -0.051 0.000 0.658 941 V HN 0.256 nan 8.190 nan 0.000 0.452 942 R N -0.896 119.579 120.500 -0.041 0.000 2.080 942 R HA -0.221 4.109 4.340 -0.018 0.000 0.236 942 R C 2.275 178.520 176.300 -0.092 0.000 1.137 942 R CA 2.095 58.134 56.100 -0.102 0.000 0.943 942 R CB -0.544 29.778 30.300 0.036 0.000 0.846 942 R HN 0.702 nan 8.270 nan 0.000 0.431 943 W N 2.463 123.619 121.300 -0.241 0.000 2.335 943 W HA -0.216 4.434 4.660 -0.016 0.000 0.311 943 W C 1.319 177.747 176.519 -0.153 0.000 1.213 943 W CA 1.457 58.621 57.345 -0.302 0.000 1.274 943 W CB -0.126 29.265 29.460 -0.115 0.000 1.148 943 W HN 0.052 nan 8.180 nan 0.000 0.498 944 K N -0.175 120.209 120.400 -0.027 0.000 2.152 944 K HA -0.186 4.124 4.320 -0.018 0.000 0.206 944 K C 1.451 177.936 176.600 -0.191 0.000 1.048 944 K CA 1.467 57.696 56.287 -0.097 0.000 0.933 944 K CB -0.307 32.195 32.500 0.004 0.000 0.721 944 K HN 0.136 nan 8.250 nan 0.000 0.447 945 N N 0.093 118.683 118.700 -0.183 0.000 2.280 945 N HA 0.050 4.780 4.740 -0.018 0.000 0.192 945 N C 0.247 175.678 175.510 -0.133 0.000 1.109 945 N CA 0.035 52.987 53.050 -0.163 0.000 0.855 945 N CB 0.348 38.709 38.487 -0.211 0.000 0.974 945 N HN 0.178 nan 8.380 nan 0.000 0.482 946 M N 0.912 120.390 119.600 -0.203 0.000 2.249 946 M HA 0.002 4.472 4.480 -0.018 0.000 0.340 946 M C -0.194 175.903 176.300 -0.337 0.000 1.166 946 M CA -0.010 55.137 55.300 -0.256 0.000 1.115 946 M CB 0.509 32.858 32.600 -0.418 0.000 1.606 946 M HN 0.045 nan 8.290 nan 0.000 0.448 947 Y N 3.232 123.305 120.300 -0.379 0.000 2.546 947 Y HA -0.008 4.532 4.550 -0.017 0.000 0.351 947 Y C 0.520 176.036 175.900 -0.640 0.000 1.266 947 Y CA 0.168 57.897 58.100 -0.619 0.000 1.487 947 Y CB 0.456 38.252 38.460 -1.105 0.000 1.365 947 Y HN 0.425 nan 8.280 nan 0.000 0.642 948 K N 1.095 121.293 120.400 -0.337 0.000 2.221 948 K HA 0.185 4.494 4.320 -0.018 0.000 0.243 948 K C -0.878 175.537 176.600 -0.308 0.000 0.968 948 K CA -1.254 54.878 56.287 -0.259 0.000 0.846 948 K CB 1.521 33.923 32.500 -0.164 0.000 1.141 948 K HN 0.555 nan 8.250 nan 0.000 0.434 949 E N 0.230 120.360 120.200 -0.117 0.000 2.820 949 E HA 0.004 4.343 4.350 -0.018 0.000 0.251 949 E C 0.794 177.325 176.600 -0.116 0.000 0.944 949 E CA 1.805 58.166 56.400 -0.066 0.000 0.955 949 E CB -0.424 29.280 29.700 0.006 0.000 0.904 949 E HN 0.742 nan 8.360 nan 0.000 0.513 950 G N 3.690 112.407 108.800 -0.138 0.000 2.176 950 G HA2 -0.270 3.679 3.960 -0.018 0.000 0.253 950 G HA3 -0.270 3.679 3.960 -0.018 0.000 0.253 950 G C -0.031 174.769 174.900 -0.167 0.000 0.979 950 G CA 0.036 45.063 45.100 -0.123 0.000 0.641 950 G HN 0.649 nan 8.290 nan 0.000 0.530 951 D N 0.308 120.564 120.400 -0.240 0.000 2.378 951 D HA 0.416 5.046 4.640 -0.018 0.000 0.238 951 D C 1.232 177.340 176.300 -0.319 0.000 1.180 951 D CA 0.145 54.001 54.000 -0.241 0.000 0.895 951 D CB 0.501 41.172 40.800 -0.214 0.000 1.192 951 D HN 0.321 nan 8.370 nan 0.000 0.438 952 L N 1.349 122.426 121.223 -0.243 0.000 2.312 952 L HA 0.263 4.593 4.340 -0.018 0.000 0.281 952 L C 1.311 177.975 176.870 -0.344 0.000 1.070 952 L CA -0.756 53.912 54.840 -0.286 0.000 0.805 952 L CB 1.192 43.146 42.059 -0.175 0.000 1.174 952 L HN 0.452 nan 8.230 nan 0.000 0.434 953 T N -2.531 111.682 114.554 -0.568 0.000 2.667 953 T HA -0.007 4.333 4.350 -0.018 0.000 0.305 953 T C 1.447 175.984 174.700 -0.272 0.000 1.022 953 T CA -0.190 61.594 62.100 -0.527 0.000 0.995 953 T CB 0.391 68.576 68.868 -1.138 0.000 1.026 953 T HN 0.741 nan 8.240 nan 0.000 0.527 954 H N 0.236 119.231 119.070 -0.125 0.000 2.489 954 H HA -0.034 4.512 4.556 -0.017 0.000 0.293 954 H C 1.264 176.654 175.328 0.103 0.000 1.066 954 H CA 1.136 57.211 56.048 0.046 0.000 1.305 954 H CB -0.839 29.021 29.762 0.164 0.000 1.386 954 H HN 0.785 nan 8.280 nan 0.000 0.551 955 F N 0.299 120.016 119.950 -0.389 0.000 2.645 955 F HA 0.401 4.918 4.527 -0.018 0.000 0.300 955 F C 0.059 175.833 175.800 -0.043 0.000 1.115 955 F CA -0.849 57.020 58.000 -0.218 0.000 1.355 955 F CB -0.143 38.571 39.000 -0.476 0.000 1.026 955 F HN -0.147 nan 8.300 nan 0.000 0.536 956 N N 1.240 119.784 118.700 -0.260 0.000 2.741 956 N HA -0.262 4.467 4.740 -0.018 0.000 0.250 956 N C -0.196 175.203 175.510 -0.185 0.000 1.115 956 N CA 0.999 53.954 53.050 -0.159 0.000 0.724 956 N CB -1.159 37.320 38.487 -0.013 0.000 1.090 956 N HN 0.762 nan 8.380 nan 0.000 0.558 957 Q N 0.510 120.072 119.800 -0.397 0.000 2.257 957 Q HA 0.312 4.641 4.340 -0.018 0.000 0.255 957 Q C 0.151 176.005 176.000 -0.243 0.000 0.920 957 Q CA -0.629 55.043 55.803 -0.218 0.000 0.927 957 Q CB 1.108 29.810 28.738 -0.060 0.000 1.229 957 Q HN 0.213 nan 8.270 nan 0.000 0.433 958 R N 4.024 124.452 120.500 -0.119 0.000 2.442 958 R HA 0.135 4.464 4.340 -0.018 0.000 0.291 958 R C -0.758 175.484 176.300 -0.097 0.000 1.069 958 R CA -0.115 55.907 56.100 -0.130 0.000 1.022 958 R CB 0.311 30.572 30.300 -0.066 0.000 0.976 958 R HN 0.649 nan 8.270 nan 0.000 0.443 959 L N 5.697 126.786 121.223 -0.224 0.000 2.375 959 L HA 0.178 4.507 4.340 -0.018 0.000 0.276 959 L C -0.016 176.852 176.870 -0.003 0.000 1.162 959 L CA 0.161 54.903 54.840 -0.163 0.000 0.991 959 L CB 0.416 42.189 42.059 -0.477 0.000 1.315 959 L HN 0.549 nan 8.230 nan 0.000 0.431 960 E N 2.653 122.916 120.200 0.105 0.000 2.167 960 E HA 0.346 4.685 4.350 -0.018 0.000 0.284 960 E C 0.730 177.428 176.600 0.162 0.000 1.016 960 E CA -0.195 56.264 56.400 0.098 0.000 0.817 960 E CB 1.455 31.200 29.700 0.076 0.000 1.080 960 E HN 0.713 nan 8.360 nan 0.000 0.397 961 G N 3.611 112.485 108.800 0.123 0.000 2.291 961 G HA2 -0.296 3.653 3.960 -0.018 0.000 0.271 961 G HA3 -0.296 3.653 3.960 -0.018 0.000 0.271 961 G C -0.375 174.610 174.900 0.143 0.000 1.099 961 G CA -0.428 44.748 45.100 0.125 0.000 0.919 961 G HN 0.523 nan 8.290 nan 0.000 0.496 962 F N 2.432 122.309 119.950 -0.121 0.000 2.468 962 F HA 0.469 4.985 4.527 -0.018 0.000 0.356 962 F C 1.424 176.939 175.800 -0.475 0.000 1.167 962 F CA -0.091 57.652 58.000 -0.428 0.000 1.135 962 F CB 0.688 39.483 39.000 -0.342 0.000 1.197 962 F HN 0.308 nan 8.300 nan 0.000 0.569 963 S N 2.814 117.875 115.700 -1.066 0.000 2.540 963 S HA 0.029 4.488 4.470 -0.018 0.000 0.218 963 S C 1.577 175.829 174.600 -0.580 0.000 0.977 963 S CA 0.271 58.153 58.200 -0.531 0.000 0.918 963 S CB -0.331 62.761 63.200 -0.180 0.000 0.806 963 S HN 0.410 nan 8.310 nan 0.000 0.496 964 V N 3.041 122.275 119.914 -1.135 0.000 2.282 964 V HA -0.100 4.009 4.120 -0.018 0.000 0.249 964 V C -0.373 175.606 176.094 -0.192 0.000 1.057 964 V CA 2.066 63.981 62.300 -0.642 0.000 1.032 964 V CB -1.733 29.596 31.823 -0.823 0.000 0.645 964 V HN 0.388 nan 8.190 nan 0.000 0.447 965 P HA -0.163 nan 4.420 nan 0.000 0.216 965 P C 1.801 179.255 177.300 0.257 0.000 1.153 965 P CA 1.539 64.757 63.100 0.198 0.000 0.858 965 P CB -0.107 31.681 31.700 0.147 0.000 0.789 966 R N -1.067 119.490 120.500 0.095 0.000 2.070 966 R HA -0.118 4.211 4.340 -0.018 0.000 0.233 966 R C 2.339 178.697 176.300 0.097 0.000 1.137 966 R CA 1.793 57.945 56.100 0.087 0.000 0.945 966 R CB -1.279 29.038 30.300 0.029 0.000 0.845 966 R HN 0.237 nan 8.270 nan 0.000 0.430 967 C N -0.394 118.953 119.300 0.077 0.000 2.413 967 C HA -0.175 4.275 4.460 -0.018 0.000 0.276 967 C C 2.392 177.472 174.990 0.151 0.000 1.248 967 C CA 0.230 59.305 59.018 0.094 0.000 1.742 967 C CB -1.194 26.601 27.740 0.092 0.000 2.017 967 C HN 0.664 nan 8.230 nan 0.000 0.481 968 W N 1.969 123.279 121.300 0.016 0.000 2.333 968 W HA -0.144 4.505 4.660 -0.017 0.000 0.316 968 W C 1.922 178.429 176.519 -0.021 0.000 1.215 968 W CA 1.860 59.222 57.345 0.029 0.000 1.278 968 W CB -0.510 29.049 29.460 0.166 0.000 1.154 968 W HN 0.387 nan 8.180 nan 0.000 0.486 969 D N -0.060 120.461 120.400 0.201 0.000 2.144 969 D HA -0.207 4.423 4.640 -0.018 0.000 0.200 969 D C 1.901 178.186 176.300 -0.025 0.000 0.978 969 D CA 1.666 55.689 54.000 0.038 0.000 0.833 969 D CB -0.556 40.292 40.800 0.079 0.000 0.961 969 D HN 0.411 nan 8.370 nan 0.000 0.470 970 E N 0.022 120.224 120.200 0.004 0.000 2.077 970 E HA -0.167 4.173 4.350 -0.018 0.000 0.193 970 E C 2.094 178.658 176.600 -0.060 0.000 0.989 970 E CA 0.832 57.222 56.400 -0.017 0.000 0.800 970 E CB -0.065 29.637 29.700 0.003 0.000 0.746 970 E HN 0.163 nan 8.360 nan 0.000 0.452 971 C N 0.274 119.517 119.300 -0.096 0.000 2.446 971 C HA -0.029 4.421 4.460 -0.018 0.000 0.277 971 C C 2.580 177.437 174.990 -0.221 0.000 1.275 971 C CA 0.472 59.399 59.018 -0.151 0.000 1.727 971 C CB -1.120 26.515 27.740 -0.175 0.000 2.010 971 C HN 0.495 nan 8.230 nan 0.000 0.486 972 L N 0.700 121.722 121.223 -0.335 0.000 2.043 972 L HA -0.205 4.124 4.340 -0.018 0.000 0.212 972 L C 2.671 179.459 176.870 -0.137 0.000 1.075 972 L CA 2.210 56.840 54.840 -0.351 0.000 0.752 972 L CB -0.667 41.135 42.059 -0.427 0.000 0.891 972 L HN 0.418 nan 8.230 nan 0.000 0.432 973 K N -0.068 120.283 120.400 -0.082 0.000 2.007 973 K HA -0.155 4.154 4.320 -0.018 0.000 0.206 973 K C 2.347 178.932 176.600 -0.025 0.000 1.047 973 K CA 1.587 57.861 56.287 -0.022 0.000 0.937 973 K CB -0.040 32.453 32.500 -0.013 0.000 0.718 973 K HN 0.298 nan 8.250 nan 0.000 0.438 974 S N -0.120 115.556 115.700 -0.040 0.000 2.428 974 S HA -0.109 4.351 4.470 -0.018 0.000 0.230 974 S C 1.937 176.516 174.600 -0.034 0.000 1.014 974 S CA 1.245 59.425 58.200 -0.032 0.000 0.957 974 S CB -0.299 62.881 63.200 -0.034 0.000 0.784 974 S HN 0.395 nan 8.310 nan 0.000 0.499 975 S N 0.705 116.377 115.700 -0.048 0.000 2.562 975 S HA 0.106 4.565 4.470 -0.018 0.000 0.221 975 S C 0.603 175.187 174.600 -0.026 0.000 0.975 975 S CA 0.167 58.344 58.200 -0.039 0.000 0.918 975 S CB -0.822 62.348 63.200 -0.050 0.000 0.772 975 S HN 0.598 nan 8.310 nan 0.000 0.531 976 Q N -0.481 119.308 119.800 -0.018 0.000 2.451 976 Q HA -0.281 4.048 4.340 -0.018 0.000 0.305 976 Q C 0.190 176.179 176.000 -0.018 0.000 1.345 976 Q CA 0.726 56.528 55.803 -0.001 0.000 0.854 976 Q CB -2.392 26.343 28.738 -0.005 0.000 1.162 976 Q HN 0.807 nan 8.270 nan 0.000 0.440 977 Y N -0.314 119.861 120.300 -0.209 0.000 2.081 977 Y HA -0.336 4.210 4.550 -0.006 0.000 0.280 977 Y C 1.655 177.390 175.900 -0.275 0.000 1.163 977 Y CA 2.537 60.443 58.100 -0.322 0.000 1.135 977 Y CB -0.289 37.833 38.460 -0.564 0.000 0.970 977 Y HN 0.397 nan 8.280 nan 0.000 0.498 978 Y N -0.450 119.849 120.300 -0.002 0.000 2.181 978 Y HA -0.201 4.334 4.550 -0.024 0.000 0.288 978 Y C 2.677 178.503 175.900 -0.124 0.000 1.146 978 Y CA 1.053 59.107 58.100 -0.076 0.000 1.164 978 Y CB -0.916 37.557 38.460 0.023 0.000 0.982 978 Y HN 0.243 nan 8.280 nan 0.000 0.515 979 A N 0.571 123.424 122.820 0.055 0.000 1.877 979 A HA -0.195 4.114 4.320 -0.018 0.000 0.216 979 A C 2.224 179.773 177.584 -0.059 0.000 1.186 979 A CA 1.652 53.691 52.037 0.003 0.000 0.620 979 A CB -0.549 18.457 19.000 0.010 0.000 0.822 979 A HN 0.377 nan 8.150 nan 0.000 0.443 980 R N -0.644 119.788 120.500 -0.114 0.000 2.148 980 R HA -0.088 4.241 4.340 -0.018 0.000 0.227 980 R C 2.282 178.463 176.300 -0.199 0.000 1.103 980 R CA 1.351 57.365 56.100 -0.144 0.000 0.983 980 R CB -0.242 29.966 30.300 -0.153 0.000 0.874 980 R HN 0.607 nan 8.270 nan 0.000 0.451 981 K N 0.546 120.759 120.400 -0.312 0.000 2.057 981 K HA -0.096 4.213 4.320 -0.018 0.000 0.207 981 K C 1.977 178.498 176.600 -0.131 0.000 1.049 981 K CA 1.628 57.730 56.287 -0.308 0.000 0.931 981 K CB 0.073 32.306 32.500 -0.445 0.000 0.714 981 K HN -0.012 nan 8.250 nan 0.000 0.440 982 S N 1.058 116.710 115.700 -0.079 0.000 2.382 982 S HA -0.146 4.313 4.470 -0.018 0.000 0.228 982 S C 1.579 176.168 174.600 -0.018 0.000 1.027 982 S CA 1.501 59.683 58.200 -0.031 0.000 0.991 982 S CB -0.186 63.007 63.200 -0.012 0.000 0.823 982 S HN 0.404 nan 8.310 nan 0.000 0.469 983 E N 0.440 120.623 120.200 -0.028 0.000 2.107 983 E HA -0.057 4.283 4.350 -0.018 0.000 0.191 983 E C 2.058 178.676 176.600 0.030 0.000 0.982 983 E CA 0.813 57.214 56.400 0.002 0.000 0.809 983 E CB -0.129 29.563 29.700 -0.013 0.000 0.756 983 E HN 0.231 nan 8.360 nan 0.000 0.459 984 V N 2.020 121.924 119.914 -0.017 0.000 2.343 984 V HA -0.251 3.858 4.120 -0.018 0.000 0.247 984 V C 1.646 177.779 176.094 0.065 0.000 1.051 984 V CA 1.906 64.206 62.300 0.001 0.000 1.036 984 V CB -0.396 31.387 31.823 -0.067 0.000 0.654 984 V HN 0.245 nan 8.190 nan 0.000 0.451 985 D N -0.106 120.309 120.400 0.025 0.000 2.097 985 D HA -0.193 4.437 4.640 -0.018 0.000 0.195 985 D C 2.144 178.470 176.300 0.042 0.000 0.989 985 D CA 1.373 55.390 54.000 0.028 0.000 0.827 985 D CB -0.213 40.591 40.800 0.006 0.000 0.966 985 D HN 0.382 nan 8.370 nan 0.000 0.456 986 K N -0.139 120.287 120.400 0.044 0.000 2.063 986 K HA -0.170 4.139 4.320 -0.018 0.000 0.208 986 K C 2.163 178.796 176.600 0.054 0.000 1.048 986 K CA 0.805 57.113 56.287 0.036 0.000 0.928 986 K CB -0.291 32.229 32.500 0.034 0.000 0.713 986 K HN 0.045 nan 8.250 nan 0.000 0.442 987 F N 1.997 121.929 119.950 -0.030 0.000 2.134 987 F HA -0.231 4.277 4.527 -0.032 0.000 0.299 987 F C 1.742 177.523 175.800 -0.032 0.000 1.097 987 F CA 1.611 59.596 58.000 -0.026 0.000 1.264 987 F CB -0.141 38.846 39.000 -0.022 0.000 1.001 987 F HN 0.134 nan 8.300 nan 0.000 0.479 988 N N 0.602 119.409 118.700 0.177 0.000 2.244 988 N HA -0.128 4.601 4.740 -0.018 0.000 0.183 988 N C 1.633 177.105 175.510 -0.063 0.000 1.016 988 N CA 1.127 54.219 53.050 0.070 0.000 0.866 988 N CB -0.333 38.206 38.487 0.085 0.000 0.980 988 N HN 0.367 nan 8.380 nan 0.000 0.430 989 K N 0.807 121.171 120.400 -0.060 0.000 2.097 989 K HA -0.040 4.270 4.320 -0.018 0.000 0.205 989 K C 1.320 177.842 176.600 -0.130 0.000 1.050 989 K CA 1.011 57.246 56.287 -0.086 0.000 0.938 989 K CB 0.063 32.529 32.500 -0.056 0.000 0.718 989 K HN 0.322 nan 8.250 nan 0.000 0.442 990 E N -0.054 120.039 120.200 -0.178 0.000 2.474 990 E HA 0.063 4.403 4.350 -0.018 0.000 0.194 990 E C -0.170 176.262 176.600 -0.280 0.000 1.041 990 E CA 0.005 56.280 56.400 -0.209 0.000 0.874 990 E CB 0.362 29.940 29.700 -0.203 0.000 0.914 990 E HN 0.209 nan 8.360 nan 0.000 0.498 991 N N -0.049 118.439 118.700 -0.353 0.000 2.314 991 N HA 0.103 4.832 4.740 -0.018 0.000 0.294 991 N C -0.475 174.898 175.510 -0.228 0.000 1.029 991 N CA -0.233 52.616 53.050 -0.335 0.000 0.845 991 N CB 2.119 40.260 38.487 -0.577 0.000 1.321 991 N HN -0.020 nan 8.380 nan 0.000 0.481 992 C N 1.432 120.607 119.300 -0.207 0.000 2.513 992 C HA 0.229 4.678 4.460 -0.018 0.000 0.292 992 C C 1.220 175.964 174.990 -0.410 0.000 1.359 992 C CA -0.114 58.666 59.018 -0.397 0.000 1.778 992 C CB -0.571 26.868 27.740 -0.502 0.000 2.180 992 C HN 0.883 nan 8.230 nan 0.000 0.509 993 W N 1.327 122.690 121.300 0.106 0.000 3.008 993 W HA 0.393 5.055 4.660 0.002 0.000 0.355 993 W C 0.540 177.120 176.519 0.103 0.000 1.095 993 W CA -0.345 57.077 57.345 0.128 0.000 1.738 993 W CB 0.319 29.833 29.460 0.090 0.000 1.091 993 W HN 0.055 nan 8.180 nan 0.000 0.574 994 K N 1.099 121.656 120.400 0.262 0.000 2.426 994 K HA 0.486 4.795 4.320 -0.018 0.000 0.251 994 K C -0.283 176.513 176.600 0.326 0.000 0.941 994 K CA -0.912 55.543 56.287 0.281 0.000 0.808 994 K CB 2.256 34.961 32.500 0.342 0.000 1.265 994 K HN -0.448 nan 8.250 nan 0.000 0.432 995 K N 1.931 122.513 120.400 0.304 0.000 2.508 995 K HA 0.464 4.773 4.320 -0.018 0.000 0.260 995 K C -0.825 175.844 176.600 0.116 0.000 0.949 995 K CA -0.817 55.634 56.287 0.274 0.000 0.834 995 K CB 2.472 35.048 32.500 0.127 0.000 1.365 995 K HN 0.522 nan 8.250 nan 0.000 0.437 996 R N -0.330 120.196 120.500 0.043 0.000 2.787 996 R HA 0.743 5.073 4.340 -0.018 0.000 0.271 996 R C -0.076 176.194 176.300 -0.050 0.000 0.993 996 R CA -0.829 55.191 56.100 -0.133 0.000 0.993 996 R CB 1.917 32.001 30.300 -0.361 0.000 1.155 996 R HN 0.775 nan 8.270 nan 0.000 0.486 997 G N 0.929 109.689 108.800 -0.067 0.000 2.659 997 G HA2 0.607 4.557 3.960 -0.018 0.000 0.296 997 G HA3 0.607 4.557 3.960 -0.018 0.000 0.296 997 G C -2.111 172.765 174.900 -0.040 0.000 1.369 997 G CA -0.420 44.659 45.100 -0.034 0.000 0.937 997 G HN 0.381 nan 8.290 nan 0.000 0.485 998 L N 0.442 121.656 121.223 -0.016 0.000 2.493 998 L HA 0.820 5.150 4.340 -0.018 0.000 0.265 998 L C -1.128 175.794 176.870 0.087 0.000 0.954 998 L CA -0.489 54.349 54.840 -0.004 0.000 0.844 998 L CB 1.807 43.804 42.059 -0.103 0.000 1.302 998 L HN 0.830 nan 8.230 nan 0.000 0.405 999 C N 5.039 124.420 119.300 0.135 0.000 2.985 999 C HA 0.708 5.157 4.460 -0.018 0.000 0.314 999 C C -1.177 173.881 174.990 0.113 0.000 1.215 999 C CA -0.776 58.343 59.018 0.167 0.000 1.414 999 C CB 1.339 29.175 27.740 0.160 0.000 1.842 999 C HN 0.916 nan 8.230 nan 0.000 0.477 1000 I N 5.959 126.532 120.570 0.006 0.000 2.436 1000 I HA 0.674 4.834 4.170 -0.018 0.000 0.289 1000 I C -1.301 174.824 176.117 0.013 0.000 1.010 1000 I CA -0.490 60.706 61.300 -0.173 0.000 1.098 1000 I CB 0.913 38.495 38.000 -0.698 0.000 1.266 1000 I HN 0.504 nan 8.210 nan 0.000 0.434 1001 I N 9.061 129.693 120.570 0.103 0.000 2.582 1001 I HA 0.527 4.687 4.170 -0.018 0.000 0.292 1001 I C -2.576 173.740 176.117 0.331 0.000 1.066 1001 I CA -1.979 59.460 61.300 0.232 0.000 1.053 1001 I CB 2.009 40.065 38.000 0.093 0.000 1.241 1001 I HN 0.350 nan 8.210 nan 0.000 0.421 1002 P HA 0.462 nan 4.420 nan 0.000 0.285 1002 P C -0.730 176.737 177.300 0.278 0.000 1.285 1002 P CA -0.415 62.874 63.100 0.316 0.000 0.854 1002 P CB 2.584 34.391 31.700 0.178 0.000 1.180 1003 T N -0.959 113.755 114.554 0.267 0.000 2.932 1003 T HA 0.534 4.873 4.350 -0.018 0.000 0.318 1003 T C -1.591 173.282 174.700 0.288 0.000 1.265 1003 T CA -0.703 61.576 62.100 0.299 0.000 1.036 1003 T CB 1.001 70.145 68.868 0.461 0.000 1.209 1003 T HN 0.653 nan 8.240 nan 0.000 0.484 1004 K N 2.674 123.238 120.400 0.273 0.000 2.422 1004 K HA 0.750 5.060 4.320 -0.018 0.000 0.251 1004 K C -2.003 174.800 176.600 0.338 0.000 0.933 1004 K CA -0.863 55.591 56.287 0.277 0.000 0.798 1004 K CB 1.960 34.657 32.500 0.327 0.000 1.238 1004 K HN 0.446 nan 8.250 nan 0.000 0.428 1005 F N 1.602 121.612 119.950 0.100 0.000 2.562 1005 F HA 0.449 4.965 4.527 -0.018 0.000 0.319 1005 F C -0.120 175.638 175.800 -0.069 0.000 1.154 1005 F CA -0.312 57.751 58.000 0.106 0.000 0.931 1005 F CB 1.989 40.966 39.000 -0.038 0.000 1.198 1005 F HN 0.811 nan 8.300 nan 0.000 0.444 1006 G N 6.479 114.925 108.800 -0.590 0.000 2.365 1006 G HA2 0.395 4.344 3.960 -0.018 0.000 0.249 1006 G HA3 0.395 4.344 3.960 -0.018 0.000 0.249 1006 G C -0.681 173.502 174.900 -1.194 0.000 1.288 1006 G CA -0.407 43.659 45.100 -1.723 0.000 0.887 1006 G HN 0.481 nan 8.290 nan 0.000 0.524 1007 I N 1.584 121.621 120.570 -0.890 0.000 2.312 1007 I HA 0.524 4.684 4.170 -0.018 0.000 0.290 1007 I C 0.288 176.226 176.117 -0.299 0.000 1.008 1007 I CA -0.209 60.756 61.300 -0.559 0.000 1.226 1007 I CB 0.124 37.562 38.000 -0.938 0.000 1.371 1007 I HN 0.450 nan 8.210 nan 0.000 0.468 1008 S N 4.620 120.230 115.700 -0.150 0.000 2.802 1008 S HA 0.174 4.634 4.470 -0.018 0.000 0.272 1008 S C -0.750 173.794 174.600 -0.093 0.000 0.788 1008 S CA -0.933 57.212 58.200 -0.091 0.000 1.016 1008 S CB 0.089 63.269 63.200 -0.034 0.000 1.278 1008 S HN 0.294 nan 8.310 nan 0.000 0.494 1009 F N 2.390 122.281 119.950 -0.098 0.000 2.578 1009 F HA 0.121 4.637 4.527 -0.017 0.000 0.376 1009 F C 2.373 178.107 175.800 -0.109 0.000 1.085 1009 F CA 0.919 58.844 58.000 -0.124 0.000 1.260 1009 F CB 0.668 39.566 39.000 -0.171 0.000 1.095 1009 F HN 0.826 nan 8.300 nan 0.000 0.573 1010 T N -0.886 113.757 114.554 0.148 0.000 2.929 1010 T HA -0.077 4.262 4.350 -0.018 0.000 0.271 1010 T C 0.589 175.346 174.700 0.094 0.000 1.085 1010 T CA 0.518 62.691 62.100 0.121 0.000 1.125 1010 T CB -0.539 68.517 68.868 0.315 0.000 0.874 1010 T HN 0.190 nan 8.240 nan 0.000 0.494 1011 V N 3.959 123.894 119.914 0.035 0.000 2.353 1011 V HA 0.223 4.332 4.120 -0.018 0.000 0.264 1011 V C -1.297 174.645 176.094 -0.254 0.000 1.049 1011 V CA -1.642 60.559 62.300 -0.166 0.000 0.896 1011 V CB 1.123 32.706 31.823 -0.400 0.000 1.025 1011 V HN 0.192 nan 8.190 nan 0.000 0.475 1012 P HA -0.183 nan 4.420 nan 0.000 0.216 1012 P C 1.594 178.842 177.300 -0.086 0.000 1.150 1012 P CA 1.353 64.405 63.100 -0.080 0.000 0.843 1012 P CB -0.011 31.685 31.700 -0.006 0.000 0.787 1013 F N -1.297 118.625 119.950 -0.046 0.000 2.408 1013 F HA -0.026 4.491 4.527 -0.017 0.000 0.300 1013 F C 1.554 177.270 175.800 -0.141 0.000 1.090 1013 F CA 0.863 58.820 58.000 -0.071 0.000 1.427 1013 F CB -1.787 37.184 39.000 -0.048 0.000 1.070 1013 F HN -0.183 nan 8.300 nan 0.000 0.549 1014 L N 0.660 121.619 121.223 -0.440 0.000 2.478 1014 L HA -0.022 4.307 4.340 -0.018 0.000 0.223 1014 L C 0.709 177.342 176.870 -0.394 0.000 1.140 1014 L CA 0.376 54.865 54.840 -0.585 0.000 0.842 1014 L CB -0.742 40.519 42.059 -1.331 0.000 0.953 1014 L HN 0.146 nan 8.230 nan 0.000 0.452 1015 N N 2.658 121.272 118.700 -0.144 0.000 3.178 1015 N HA 0.047 4.776 4.740 -0.018 0.000 0.300 1015 N C -0.412 174.992 175.510 -0.177 0.000 1.242 1015 N CA 0.204 53.228 53.050 -0.043 0.000 1.192 1015 N CB 0.203 38.664 38.487 -0.043 0.000 1.463 1015 N HN 0.531 nan 8.380 nan 0.000 0.539 1016 Q N -0.970 118.709 119.800 -0.200 0.000 2.377 1016 Q HA 0.806 5.135 4.340 -0.018 0.000 0.279 1016 Q C -1.896 173.880 176.000 -0.374 0.000 1.049 1016 Q CA -1.257 54.332 55.803 -0.357 0.000 0.825 1016 Q CB 2.122 30.773 28.738 -0.144 0.000 1.401 1016 Q HN 0.079 nan 8.270 nan 0.000 0.404 1017 A N 0.771 123.225 122.820 -0.610 0.000 2.547 1017 A HA 0.905 5.214 4.320 -0.018 0.000 0.297 1017 A C -0.843 176.600 177.584 -0.234 0.000 1.056 1017 A CA -0.157 51.651 52.037 -0.381 0.000 0.688 1017 A CB 1.949 20.573 19.000 -0.628 0.000 1.282 1017 A HN 0.934 nan 8.150 nan 0.000 0.400 1018 G N -0.313 108.608 108.800 0.201 0.000 2.481 1018 G HA2 0.877 4.827 3.960 -0.018 0.000 0.315 1018 G HA3 0.877 4.827 3.960 -0.018 0.000 0.315 1018 G C -0.504 174.586 174.900 0.317 0.000 1.231 1018 G CA 0.012 45.300 45.100 0.314 0.000 0.968 1018 G HN 1.864 nan 8.290 nan 0.000 0.482 1019 A N -0.040 122.924 122.820 0.240 0.000 2.566 1019 A HA 0.840 5.150 4.320 -0.018 0.000 0.292 1019 A C -1.831 175.811 177.584 0.097 0.000 1.112 1019 A CA -0.646 51.499 52.037 0.180 0.000 0.707 1019 A CB 2.157 21.262 19.000 0.175 0.000 1.302 1019 A HN 1.510 nan 8.150 nan 0.000 0.409 1020 L N 1.570 122.802 121.223 0.016 0.000 2.476 1020 L HA 0.731 5.061 4.340 -0.018 0.000 0.269 1020 L C -1.873 174.871 176.870 -0.210 0.000 0.965 1020 L CA -0.309 54.484 54.840 -0.078 0.000 0.845 1020 L CB 1.661 43.663 42.059 -0.095 0.000 1.259 1020 L HN 0.523 nan 8.230 nan 0.000 0.403 1021 I N 4.516 124.959 120.570 -0.211 0.000 2.465 1021 I HA 0.502 4.662 4.170 -0.018 0.000 0.291 1021 I C -0.482 175.484 176.117 -0.251 0.000 1.014 1021 I CA -0.630 60.547 61.300 -0.206 0.000 1.093 1021 I CB 1.574 39.551 38.000 -0.038 0.000 1.267 1021 I HN 0.546 nan 8.210 nan 0.000 0.431 1022 H N 4.695 123.722 119.070 -0.072 0.000 2.524 1022 H HA 0.631 5.177 4.556 -0.017 0.000 0.353 1022 H C -0.741 174.431 175.328 -0.260 0.000 1.136 1022 H CA -0.803 55.103 56.048 -0.237 0.000 1.193 1022 H CB 2.526 32.009 29.762 -0.465 0.000 1.558 1022 H HN 0.183 nan 8.280 nan 0.000 0.515 1023 V N 4.323 124.166 119.914 -0.119 0.000 2.357 1023 V HA 0.202 4.311 4.120 -0.018 0.000 0.284 1023 V C -0.331 175.635 176.094 -0.214 0.000 1.018 1023 V CA -0.777 61.489 62.300 -0.057 0.000 0.841 1023 V CB 0.199 32.064 31.823 0.070 0.000 0.991 1023 V HN 0.589 nan 8.190 nan 0.000 0.437 1024 Y N 1.912 122.256 120.300 0.072 0.000 2.295 1024 Y HA 0.221 4.761 4.550 -0.018 0.000 0.331 1024 Y C 2.073 177.930 175.900 -0.072 0.000 1.311 1024 Y CA 0.141 58.231 58.100 -0.016 0.000 1.430 1024 Y CB 0.982 39.438 38.460 -0.007 0.000 1.339 1024 Y HN 0.736 nan 8.280 nan 0.000 0.552 1025 T N -3.528 111.034 114.554 0.014 0.000 3.113 1025 T HA -0.125 4.214 4.350 -0.018 0.000 0.263 1025 T C 0.777 175.437 174.700 -0.067 0.000 1.143 1025 T CA 0.933 62.952 62.100 -0.134 0.000 1.090 1025 T CB -0.332 68.318 68.868 -0.363 0.000 0.922 1025 T HN 0.731 nan 8.240 nan 0.000 0.521 1026 D N 0.734 121.138 120.400 0.007 0.000 2.340 1026 D HA 0.190 4.820 4.640 -0.018 0.000 0.220 1026 D C 1.686 178.031 176.300 0.076 0.000 1.039 1026 D CA 0.530 54.542 54.000 0.020 0.000 0.866 1026 D CB -0.682 40.129 40.800 0.017 0.000 0.913 1026 D HN 0.542 nan 8.370 nan 0.000 0.523 1027 G N 0.536 109.396 108.800 0.100 0.000 2.199 1027 G HA2 -0.310 3.639 3.960 -0.018 0.000 0.254 1027 G HA3 -0.310 3.639 3.960 -0.018 0.000 0.254 1027 G C 0.428 175.596 174.900 0.447 0.000 0.982 1027 G CA 0.496 45.752 45.100 0.259 0.000 0.632 1027 G HN 0.853 nan 8.290 nan 0.000 0.529 1028 S N -0.486 115.388 115.700 0.290 0.000 2.576 1028 S HA 0.633 5.093 4.470 -0.018 0.000 0.276 1028 S C 0.073 174.878 174.600 0.342 0.000 1.339 1028 S CA 0.031 58.393 58.200 0.270 0.000 1.039 1028 S CB 2.323 65.630 63.200 0.179 0.000 0.902 1028 S HN 1.117 nan 8.310 nan 0.000 0.516 1029 V N 3.413 123.496 119.914 0.281 0.000 2.495 1029 V HA 0.550 4.659 4.120 -0.018 0.000 0.298 1029 V C -0.536 175.706 176.094 0.247 0.000 1.031 1029 V CA -0.839 61.608 62.300 0.245 0.000 0.871 1029 V CB 1.388 33.321 31.823 0.183 0.000 0.988 1029 V HN 0.899 nan 8.190 nan 0.000 0.432 1030 L N 6.056 127.422 121.223 0.238 0.000 2.325 1030 L HA 0.730 5.059 4.340 -0.018 0.000 0.281 1030 L C -0.598 176.304 176.870 0.053 0.000 1.004 1030 L CA 0.014 54.990 54.840 0.227 0.000 0.823 1030 L CB 1.768 44.069 42.059 0.403 0.000 1.236 1030 L HN 0.450 nan 8.230 nan 0.000 0.415 1031 V N 3.904 123.826 119.914 0.014 0.000 2.435 1031 V HA 0.694 4.803 4.120 -0.018 0.000 0.290 1031 V C -0.091 175.951 176.094 -0.087 0.000 1.030 1031 V CA -0.402 61.877 62.300 -0.035 0.000 0.881 1031 V CB 1.643 33.472 31.823 0.010 0.000 0.983 1031 V HN 0.846 nan 8.190 nan 0.000 0.445 1032 S N 4.246 119.889 115.700 -0.095 0.000 2.526 1032 S HA 0.740 5.200 4.470 -0.018 0.000 0.293 1032 S C -0.901 173.665 174.600 -0.055 0.000 1.092 1032 S CA -0.627 57.485 58.200 -0.146 0.000 0.980 1032 S CB 1.028 64.150 63.200 -0.130 0.000 1.048 1032 S HN 1.037 nan 8.310 nan 0.000 0.483 1033 H N 0.794 119.802 119.070 -0.104 0.000 2.960 1033 H HA 0.479 5.025 4.556 -0.018 0.000 0.338 1033 H C 0.875 176.074 175.328 -0.215 0.000 1.261 1033 H CA -0.539 55.453 56.048 -0.092 0.000 1.136 1033 H CB 1.071 30.791 29.762 -0.070 0.000 1.875 1033 H HN 0.695 nan 8.280 nan 0.000 0.550 1034 G N -0.127 108.593 108.800 -0.132 0.000 2.534 1034 G HA2 0.057 4.006 3.960 -0.018 0.000 0.217 1034 G HA3 0.057 4.006 3.960 -0.018 0.000 0.217 1034 G C 0.734 175.335 174.900 -0.498 0.000 1.128 1034 G CA 0.374 45.365 45.100 -0.182 0.000 0.784 1034 G HN 0.804 nan 8.290 nan 0.000 0.542 1035 G N -0.002 108.255 108.800 -0.905 0.000 2.467 1035 G HA2 0.451 4.401 3.960 -0.018 0.000 0.257 1035 G HA3 0.451 4.401 3.960 -0.018 0.000 0.257 1035 G C 0.055 174.841 174.900 -0.190 0.000 1.227 1035 G CA 0.354 45.151 45.100 -0.505 0.000 0.835 1035 G HN 0.362 nan 8.290 nan 0.000 0.556 1036 T N -1.201 113.278 114.554 -0.125 0.000 2.888 1036 T HA 0.541 4.880 4.350 -0.018 0.000 0.284 1036 T C -0.368 174.195 174.700 -0.228 0.000 1.017 1036 T CA -0.820 61.195 62.100 -0.141 0.000 1.022 1036 T CB 2.269 71.075 68.868 -0.104 0.000 1.013 1036 T HN 0.454 nan 8.240 nan 0.000 0.465 1037 E N 2.649 122.639 120.200 -0.351 0.000 2.194 1037 E HA 0.380 4.719 4.350 -0.018 0.000 0.284 1037 E C 0.456 176.959 176.600 -0.162 0.000 1.035 1037 E CA -0.583 55.599 56.400 -0.363 0.000 0.836 1037 E CB 0.635 30.030 29.700 -0.509 0.000 1.070 1037 E HN 0.780 nan 8.360 nan 0.000 0.401 1038 M N 2.480 122.003 119.600 -0.129 0.000 2.504 1038 M HA 0.481 4.951 4.480 -0.018 0.000 0.370 1038 M C 0.794 177.039 176.300 -0.092 0.000 1.110 1038 M CA 0.146 55.367 55.300 -0.132 0.000 0.938 1038 M CB 0.790 33.259 32.600 -0.218 0.000 1.460 1038 M HN 0.585 nan 8.290 nan 0.000 0.535 1039 G N 1.704 110.511 108.800 0.011 0.000 2.231 1039 G HA2 -0.252 3.698 3.960 -0.018 0.000 0.206 1039 G HA3 -0.252 3.698 3.960 -0.018 0.000 0.206 1039 G C 0.830 175.806 174.900 0.127 0.000 0.996 1039 G CA 0.357 45.501 45.100 0.073 0.000 0.645 1039 G HN 0.602 nan 8.290 nan 0.000 0.498 1040 Q N 1.533 121.368 119.800 0.059 0.000 2.472 1040 Q HA 0.313 4.643 4.340 -0.018 0.000 0.208 1040 Q C 1.619 177.649 176.000 0.050 0.000 0.958 1040 Q CA 1.460 57.295 55.803 0.054 0.000 0.932 1040 Q CB -0.333 28.412 28.738 0.011 0.000 1.007 1040 Q HN 1.954 nan 8.270 nan 0.000 0.508 1041 G N 1.642 110.460 108.800 0.031 0.000 2.149 1041 G HA2 -0.292 3.657 3.960 -0.018 0.000 0.235 1041 G HA3 -0.292 3.657 3.960 -0.018 0.000 0.235 1041 G C 0.358 175.168 174.900 -0.150 0.000 1.018 1041 G CA 0.371 45.381 45.100 -0.150 0.000 0.728 1041 G HN 0.392 nan 8.290 nan 0.000 0.508 1042 L N 0.236 121.378 121.223 -0.136 0.000 2.017 1042 L HA 0.026 4.355 4.340 -0.018 0.000 0.208 1042 L C 2.575 179.429 176.870 -0.027 0.000 1.073 1042 L CA 2.964 57.748 54.840 -0.092 0.000 0.745 1042 L CB -0.545 41.454 42.059 -0.100 0.000 0.894 1042 L HN 0.400 nan 8.230 nan 0.000 0.432 1043 H N -0.813 118.217 119.070 -0.068 0.000 2.353 1043 H HA -0.097 4.448 4.556 -0.017 0.000 0.300 1043 H C 2.167 177.429 175.328 -0.109 0.000 1.090 1043 H CA 1.806 57.823 56.048 -0.052 0.000 1.327 1043 H CB -1.070 28.638 29.762 -0.091 0.000 1.383 1043 H HN 0.364 nan 8.280 nan 0.000 0.508 1044 T N 1.414 115.922 114.554 -0.076 0.000 2.607 1044 T HA -0.166 4.173 4.350 -0.018 0.000 0.267 1044 T C 2.025 176.701 174.700 -0.040 0.000 1.049 1044 T CA 1.738 63.779 62.100 -0.097 0.000 1.162 1044 T CB -0.085 68.669 68.868 -0.191 0.000 0.863 1044 T HN 0.369 nan 8.240 nan 0.000 0.424 1045 K N 0.339 120.716 120.400 -0.039 0.000 2.103 1045 K HA -0.040 4.270 4.320 -0.018 0.000 0.207 1045 K C 2.380 178.981 176.600 0.003 0.000 1.048 1045 K CA 1.174 57.454 56.287 -0.012 0.000 0.930 1045 K CB -0.173 32.320 32.500 -0.012 0.000 0.716 1045 K HN 0.245 nan 8.250 nan 0.000 0.444 1046 M N 0.300 119.895 119.600 -0.008 0.000 2.175 1046 M HA -0.100 4.370 4.480 -0.018 0.000 0.264 1046 M C 2.259 178.570 176.300 0.017 0.000 1.063 1046 M CA 1.201 56.492 55.300 -0.016 0.000 1.119 1046 M CB -0.626 31.929 32.600 -0.075 0.000 1.377 1046 M HN -0.061 nan 8.290 nan 0.000 0.415 1047 V N 0.451 120.373 119.914 0.013 0.000 2.358 1047 V HA -0.268 3.842 4.120 -0.018 0.000 0.246 1047 V C 2.406 178.507 176.094 0.011 0.000 1.047 1047 V CA 1.542 63.847 62.300 0.009 0.000 1.035 1047 V CB -0.745 31.077 31.823 -0.000 0.000 0.658 1047 V HN 0.514 nan 8.190 nan 0.000 0.452 1048 Q N -0.586 119.220 119.800 0.010 0.000 2.050 1048 Q HA -0.174 4.156 4.340 -0.018 0.000 0.202 1048 Q C 2.369 178.392 176.000 0.037 0.000 0.980 1048 Q CA 1.871 57.678 55.803 0.006 0.000 0.840 1048 Q CB -0.355 28.383 28.738 -0.001 0.000 0.898 1048 Q HN 0.540 nan 8.270 nan 0.000 0.424 1049 V N 1.083 121.053 119.914 0.094 0.000 2.261 1049 V HA -0.304 3.806 4.120 -0.018 0.000 0.246 1049 V C 2.322 178.531 176.094 0.192 0.000 1.047 1049 V CA 1.914 64.349 62.300 0.224 0.000 1.015 1049 V CB -1.085 30.856 31.823 0.197 0.000 0.642 1049 V HN 0.420 nan 8.190 nan 0.000 0.446 1050 A N -0.362 122.518 122.820 0.099 0.000 1.883 1050 A HA -0.281 4.029 4.320 -0.018 0.000 0.217 1050 A C 2.593 180.188 177.584 0.018 0.000 1.186 1050 A CA 2.519 54.591 52.037 0.059 0.000 0.624 1050 A CB -0.977 18.042 19.000 0.032 0.000 0.822 1050 A HN 0.533 nan 8.150 nan 0.000 0.444 1051 S N -0.450 115.245 115.700 -0.007 0.000 2.370 1051 S HA -0.252 4.207 4.470 -0.018 0.000 0.226 1051 S C 2.126 176.698 174.600 -0.048 0.000 1.033 1051 S CA 2.105 60.271 58.200 -0.057 0.000 1.011 1051 S CB -0.338 62.830 63.200 -0.053 0.000 0.852 1051 S HN 0.622 nan 8.310 nan 0.000 0.457 1052 K N 0.474 120.866 120.400 -0.013 0.000 2.025 1052 K HA 0.026 4.335 4.320 -0.018 0.000 0.207 1052 K C 2.279 178.918 176.600 0.065 0.000 1.049 1052 K CA 1.159 57.429 56.287 -0.029 0.000 0.933 1052 K CB -0.625 31.780 32.500 -0.157 0.000 0.714 1052 K HN 0.405 nan 8.250 nan 0.000 0.438 1053 A N 1.106 124.029 122.820 0.171 0.000 1.883 1053 A HA -0.124 4.185 4.320 -0.018 0.000 0.217 1053 A C 2.020 179.629 177.584 0.042 0.000 1.186 1053 A CA 1.438 53.578 52.037 0.171 0.000 0.624 1053 A CB -0.551 18.527 19.000 0.130 0.000 0.822 1053 A HN 0.353 nan 8.150 nan 0.000 0.444 1054 L N -1.756 119.461 121.223 -0.010 0.000 2.509 1054 L HA 0.066 4.396 4.340 -0.018 0.000 0.222 1054 L C 0.230 177.044 176.870 -0.093 0.000 1.123 1054 L CA 0.235 55.039 54.840 -0.061 0.000 0.856 1054 L CB -0.110 41.839 42.059 -0.184 0.000 0.985 1054 L HN 0.323 nan 8.230 nan 0.000 0.456 1055 K N 1.487 121.847 120.400 -0.066 0.000 3.150 1055 K HA -0.182 4.128 4.320 -0.018 0.000 0.267 1055 K C -0.396 176.126 176.600 -0.131 0.000 1.028 1055 K CA 0.644 56.901 56.287 -0.049 0.000 0.753 1055 K CB -1.861 30.663 32.500 0.039 0.000 1.288 1055 K HN 0.508 nan 8.250 nan 0.000 0.473 1056 I N -4.194 116.231 120.570 -0.242 0.000 2.892 1056 I HA 0.627 4.786 4.170 -0.018 0.000 0.306 1056 I C -2.657 173.339 176.117 -0.202 0.000 1.078 1056 I CA -3.234 57.875 61.300 -0.319 0.000 1.032 1056 I CB 2.131 39.716 38.000 -0.691 0.000 1.229 1056 I HN -0.288 nan 8.210 nan 0.000 0.435 1057 P HA 0.174 nan 4.420 nan 0.000 0.269 1057 P C 1.121 178.369 177.300 -0.087 0.000 1.215 1057 P CA -0.264 62.778 63.100 -0.097 0.000 0.780 1057 P CB 0.561 32.218 31.700 -0.072 0.000 0.898 1058 I N 0.066 120.605 120.570 -0.052 0.000 2.423 1058 I HA -0.236 3.923 4.170 -0.018 0.000 0.254 1058 I C 1.550 177.665 176.117 -0.003 0.000 1.151 1058 I CA 2.005 63.290 61.300 -0.026 0.000 1.421 1058 I CB -1.022 36.972 38.000 -0.011 0.000 1.079 1058 I HN 0.242 nan 8.210 nan 0.000 0.431 1059 S N 1.166 116.860 115.700 -0.009 0.000 2.469 1059 S HA -0.085 4.375 4.470 -0.018 0.000 0.238 1059 S C 1.737 176.344 174.600 0.011 0.000 0.998 1059 S CA 0.685 58.889 58.200 0.007 0.000 0.957 1059 S CB -0.500 62.697 63.200 -0.004 0.000 0.764 1059 S HN 0.610 nan 8.310 nan 0.000 0.514 1060 K N 0.210 120.604 120.400 -0.011 0.000 2.426 1060 K HA 0.338 4.647 4.320 -0.018 0.000 0.193 1060 K C -0.068 176.565 176.600 0.054 0.000 1.028 1060 K CA 0.223 56.513 56.287 0.005 0.000 1.047 1060 K CB 0.106 32.562 32.500 -0.073 0.000 0.821 1060 K HN 0.460 nan 8.250 nan 0.000 0.513 1061 I N 0.356 120.961 120.570 0.060 0.000 2.493 1061 I HA 0.239 4.399 4.170 -0.018 0.000 0.298 1061 I C -0.983 175.245 176.117 0.186 0.000 0.998 1061 I CA -1.174 60.183 61.300 0.096 0.000 1.137 1061 I CB 1.241 39.262 38.000 0.035 0.000 1.310 1061 I HN -0.142 nan 8.210 nan 0.000 0.445 1062 Y N 6.128 126.441 120.300 0.022 0.000 2.504 1062 Y HA 0.665 5.204 4.550 -0.017 0.000 0.344 1062 Y C -1.276 174.608 175.900 -0.026 0.000 1.023 1062 Y CA -1.032 57.069 58.100 0.002 0.000 1.020 1062 Y CB 1.685 40.155 38.460 0.016 0.000 1.282 1062 Y HN 0.330 nan 8.280 nan 0.000 0.454 1063 I N 4.118 124.297 120.570 -0.651 0.000 2.436 1063 I HA 0.270 4.429 4.170 -0.018 0.000 0.289 1063 I C 0.332 175.890 176.117 -0.932 0.000 1.010 1063 I CA -0.338 60.584 61.300 -0.629 0.000 1.098 1063 I CB 2.150 39.771 38.000 -0.631 0.000 1.266 1063 I HN 0.694 nan 8.210 nan 0.000 0.434 1064 S N 4.976 120.356 115.700 -0.533 0.000 2.444 1064 S HA 0.169 4.629 4.470 -0.018 0.000 0.223 1064 S C 0.298 174.772 174.600 -0.210 0.000 1.054 1064 S CA 0.609 58.635 58.200 -0.290 0.000 0.947 1064 S CB 0.287 63.509 63.200 0.037 0.000 0.850 1064 S HN 0.822 nan 8.310 nan 0.000 0.527 1065 E N -1.073 119.000 120.200 -0.211 0.000 2.432 1065 E HA 0.339 4.678 4.350 -0.018 0.000 0.279 1065 E C -1.692 174.808 176.600 -0.168 0.000 1.099 1065 E CA -0.985 55.341 56.400 -0.124 0.000 0.859 1065 E CB 0.619 30.301 29.700 -0.030 0.000 1.402 1065 E HN -0.010 nan 8.360 nan 0.000 0.451 1066 T N 1.296 115.782 114.554 -0.113 0.000 2.795 1066 T HA 0.621 4.961 4.350 -0.018 0.000 0.282 1066 T C -0.712 173.928 174.700 -0.100 0.000 0.980 1066 T CA -0.408 61.602 62.100 -0.150 0.000 1.012 1066 T CB 1.009 69.793 68.868 -0.140 0.000 0.936 1066 T HN 0.572 nan 8.240 nan 0.000 0.457 1067 S N 0.321 115.964 115.700 -0.095 0.000 2.541 1067 S HA 0.428 4.888 4.470 -0.018 0.000 0.271 1067 S C 1.006 175.573 174.600 -0.056 0.000 1.133 1067 S CA -0.695 57.462 58.200 -0.072 0.000 0.876 1067 S CB 1.415 64.581 63.200 -0.058 0.000 1.105 1067 S HN 0.694 nan 8.310 nan 0.000 0.470 1068 T N -1.078 113.443 114.554 -0.056 0.000 3.085 1068 T HA -0.061 4.279 4.350 -0.018 0.000 0.263 1068 T C 1.130 175.817 174.700 -0.022 0.000 1.127 1068 T CA 1.135 63.212 62.100 -0.038 0.000 1.103 1068 T CB -0.734 68.106 68.868 -0.047 0.000 0.921 1068 T HN 0.740 nan 8.240 nan 0.000 0.510 1069 N N 1.551 120.238 118.700 -0.023 0.000 2.336 1069 N HA -0.010 4.720 4.740 -0.018 0.000 0.189 1069 N C 1.367 176.886 175.510 0.015 0.000 1.113 1069 N CA 0.900 53.948 53.050 -0.005 0.000 0.858 1069 N CB -0.276 38.206 38.487 -0.007 0.000 0.970 1069 N HN 0.649 nan 8.380 nan 0.000 0.471 1070 T N -3.104 111.456 114.554 0.010 0.000 3.071 1070 T HA 0.266 4.605 4.350 -0.018 0.000 0.239 1070 T C 0.438 175.153 174.700 0.025 0.000 0.997 1070 T CA 0.061 62.176 62.100 0.025 0.000 1.134 1070 T CB -0.130 68.743 68.868 0.009 0.000 0.928 1070 T HN -0.109 nan 8.240 nan 0.000 0.453 1071 V N 4.764 124.687 119.914 0.016 0.000 2.380 1071 V HA 0.515 4.624 4.120 -0.018 0.000 0.286 1071 V C -2.524 173.599 176.094 0.048 0.000 1.015 1071 V CA -1.982 60.348 62.300 0.051 0.000 0.834 1071 V CB 1.717 33.581 31.823 0.069 0.000 1.009 1071 V HN 0.375 nan 8.190 nan 0.000 0.428 1072 P HA 0.383 nan 4.420 nan 0.000 0.281 1072 P C -0.253 177.083 177.300 0.060 0.000 1.264 1072 P CA -0.357 62.765 63.100 0.037 0.000 0.824 1072 P CB 0.646 32.359 31.700 0.023 0.000 1.092 1073 N N -1.985 116.736 118.700 0.036 0.000 2.735 1073 N HA -0.131 4.599 4.740 -0.018 0.000 0.248 1073 N C -0.203 175.353 175.510 0.076 0.000 1.083 1073 N CA 0.999 54.074 53.050 0.042 0.000 0.703 1073 N CB -2.382 36.131 38.487 0.043 0.000 1.005 1073 N HN 0.619 nan 8.380 nan 0.000 0.550 1074 S N -1.688 114.058 115.700 0.077 0.000 2.565 1074 S HA 0.505 4.965 4.470 -0.018 0.000 0.276 1074 S C 0.714 175.363 174.600 0.081 0.000 1.326 1074 S CA -0.676 57.599 58.200 0.125 0.000 1.045 1074 S CB 1.759 65.040 63.200 0.135 0.000 0.918 1074 S HN 0.199 nan 8.310 nan 0.000 0.505 1075 S N 3.777 119.526 115.700 0.082 0.000 2.589 1075 S HA 0.318 4.777 4.470 -0.018 0.000 0.265 1075 S C -2.080 172.567 174.600 0.077 0.000 1.342 1075 S CA -0.813 57.370 58.200 -0.028 0.000 1.005 1075 S CB -0.341 62.727 63.200 -0.219 0.000 0.909 1075 S HN 0.730 nan 8.310 nan 0.000 0.555 1076 P HA 0.054 nan 4.420 nan 0.000 0.267 1076 P C -0.690 176.762 177.300 0.252 0.000 1.200 1076 P CA -0.111 63.061 63.100 0.120 0.000 0.772 1076 P CB 0.004 31.772 31.700 0.114 0.000 0.855 1077 T N 1.894 116.550 114.554 0.169 0.000 2.848 1077 T HA 0.494 4.834 4.350 -0.018 0.000 0.283 1077 T C 0.244 175.018 174.700 0.124 0.000 0.919 1077 T CA 0.350 62.554 62.100 0.173 0.000 1.071 1077 T CB -0.547 68.360 68.868 0.066 0.000 0.912 1077 T HN 0.632 nan 8.240 nan 0.000 0.570 1078 A N 2.235 125.133 122.820 0.130 0.000 2.540 1078 A HA 0.815 5.125 4.320 -0.018 0.000 0.291 1078 A C 0.516 177.903 177.584 -0.329 0.000 1.083 1078 A CA -0.274 51.757 52.037 -0.012 0.000 0.650 1078 A CB 0.085 19.150 19.000 0.108 0.000 1.292 1078 A HN 1.554 nan 8.150 nan 0.000 0.435 1079 A N -0.747 121.821 122.820 -0.421 0.000 2.979 1079 A HA 0.066 4.375 4.320 -0.018 0.000 0.260 1079 A C 1.279 178.690 177.584 -0.289 0.000 1.282 1079 A CA 1.775 53.483 52.037 -0.549 0.000 0.971 1079 A CB -2.492 15.716 19.000 -1.321 0.000 1.124 1079 A HN 2.549 nan 8.150 nan 0.000 0.826 1080 S N -4.336 111.263 115.700 -0.167 0.000 3.146 1080 S HA -0.344 4.116 4.470 -0.018 0.000 0.285 1080 S C 1.130 175.683 174.600 -0.080 0.000 1.293 1080 S CA 1.975 60.119 58.200 -0.093 0.000 1.137 1080 S CB -2.380 60.770 63.200 -0.083 0.000 1.357 1080 S HN 2.350 nan 8.310 nan 0.000 0.678 1081 V N -2.265 117.572 119.914 -0.128 0.000 3.621 1081 V HA 0.333 4.442 4.120 -0.018 0.000 0.285 1081 V C 1.579 177.660 176.094 -0.022 0.000 1.346 1081 V CA 0.840 63.090 62.300 -0.083 0.000 1.104 1081 V CB 0.461 32.194 31.823 -0.150 0.000 0.913 1081 V HN 0.342 nan 8.190 nan 0.000 0.432 1082 S N 1.683 117.411 115.700 0.046 0.000 2.356 1082 S HA -0.187 4.272 4.470 -0.018 0.000 0.223 1082 S C 1.983 176.678 174.600 0.158 0.000 1.032 1082 S CA 2.297 60.623 58.200 0.210 0.000 1.005 1082 S CB -0.555 62.819 63.200 0.290 0.000 0.867 1082 S HN 0.757 nan 8.310 nan 0.000 0.449 1083 T N 2.369 116.965 114.554 0.069 0.000 2.665 1083 T HA -0.143 4.196 4.350 -0.018 0.000 0.268 1083 T C 1.405 176.093 174.700 -0.020 0.000 1.035 1083 T CA 1.701 63.815 62.100 0.023 0.000 1.151 1083 T CB -0.620 68.258 68.868 0.016 0.000 0.862 1083 T HN 0.332 nan 8.240 nan 0.000 0.438 1084 D N 1.101 121.489 120.400 -0.019 0.000 2.084 1084 D HA -0.052 4.577 4.640 -0.018 0.000 0.194 1084 D C 2.168 178.368 176.300 -0.166 0.000 0.990 1084 D CA 1.102 55.069 54.000 -0.056 0.000 0.826 1084 D CB -0.389 40.444 40.800 0.054 0.000 0.971 1084 D HN 0.582 nan 8.370 nan 0.000 0.453 1085 I N -2.680 117.796 120.570 -0.156 0.000 2.494 1085 I HA -0.085 4.074 4.170 -0.018 0.000 0.250 1085 I C 1.864 177.779 176.117 -0.336 0.000 1.112 1085 I CA 0.727 61.901 61.300 -0.210 0.000 1.438 1085 I CB -0.649 37.227 38.000 -0.207 0.000 1.111 1085 I HN -0.094 nan 8.210 nan 0.000 0.431 1086 Y N 2.404 122.671 120.300 -0.055 0.000 2.314 1086 Y HA 0.072 4.611 4.550 -0.018 0.000 0.293 1086 Y C 2.825 178.635 175.900 -0.149 0.000 1.129 1086 Y CA 1.115 59.154 58.100 -0.103 0.000 1.201 1086 Y CB -0.695 37.647 38.460 -0.198 0.000 0.999 1086 Y HN 0.219 nan 8.280 nan 0.000 0.541 1087 G N -0.342 108.425 108.800 -0.055 0.000 2.446 1087 G HA2 -0.324 3.626 3.960 -0.018 0.000 0.217 1087 G HA3 -0.324 3.626 3.960 -0.018 0.000 0.217 1087 G C 1.494 176.313 174.900 -0.134 0.000 1.168 1087 G CA 1.071 46.117 45.100 -0.090 0.000 0.771 1087 G HN 0.265 nan 8.290 nan 0.000 0.551 1088 Q N 0.494 120.123 119.800 -0.285 0.000 2.084 1088 Q HA 0.129 4.459 4.340 -0.018 0.000 0.202 1088 Q C 2.743 178.680 176.000 -0.105 0.000 0.978 1088 Q CA 1.782 57.355 55.803 -0.383 0.000 0.844 1088 Q CB -0.579 27.516 28.738 -1.071 0.000 0.898 1088 Q HN 0.396 nan 8.270 nan 0.000 0.426 1089 A N -0.848 121.947 122.820 -0.043 0.000 1.902 1089 A HA -0.124 4.186 4.320 -0.018 0.000 0.217 1089 A C 2.257 179.901 177.584 0.099 0.000 1.181 1089 A CA 1.580 53.662 52.037 0.076 0.000 0.623 1089 A CB -0.805 18.260 19.000 0.108 0.000 0.818 1089 A HN 0.258 nan 8.150 nan 0.000 0.443 1090 V N -1.402 118.563 119.914 0.086 0.000 2.343 1090 V HA -0.276 3.833 4.120 -0.018 0.000 0.247 1090 V C 2.335 178.475 176.094 0.077 0.000 1.051 1090 V CA 2.108 64.456 62.300 0.080 0.000 1.036 1090 V CB -0.991 30.869 31.823 0.062 0.000 0.654 1090 V HN 0.716 nan 8.190 nan 0.000 0.451 1091 Y N 1.198 121.472 120.300 -0.044 0.000 2.128 1091 Y HA -0.242 4.297 4.550 -0.017 0.000 0.284 1091 Y C 2.630 178.522 175.900 -0.014 0.000 1.154 1091 Y CA 2.079 60.147 58.100 -0.054 0.000 1.149 1091 Y CB -0.084 38.277 38.460 -0.166 0.000 0.976 1091 Y HN 0.222 nan 8.280 nan 0.000 0.505 1092 E N 0.288 120.534 120.200 0.076 0.000 2.077 1092 E HA -0.185 4.154 4.350 -0.018 0.000 0.193 1092 E C 2.419 179.013 176.600 -0.010 0.000 0.989 1092 E CA 1.127 57.547 56.400 0.034 0.000 0.800 1092 E CB -0.789 28.990 29.700 0.131 0.000 0.746 1092 E HN 0.582 nan 8.360 nan 0.000 0.452 1093 A N 0.655 123.488 122.820 0.022 0.000 1.902 1093 A HA -0.202 4.107 4.320 -0.018 0.000 0.217 1093 A C 2.642 180.220 177.584 -0.010 0.000 1.181 1093 A CA 1.512 53.563 52.037 0.023 0.000 0.623 1093 A CB -0.944 18.081 19.000 0.041 0.000 0.818 1093 A HN 0.355 nan 8.150 nan 0.000 0.443 1094 C N -0.822 118.446 119.300 -0.053 0.000 2.429 1094 C HA -0.101 4.348 4.460 -0.018 0.000 0.277 1094 C C 2.897 177.825 174.990 -0.104 0.000 1.262 1094 C CA 1.143 60.122 59.018 -0.065 0.000 1.733 1094 C CB -1.052 26.628 27.740 -0.099 0.000 2.010 1094 C HN 0.603 nan 8.230 nan 0.000 0.483 1095 Q N 0.425 120.093 119.800 -0.219 0.000 2.084 1095 Q HA -0.134 4.195 4.340 -0.018 0.000 0.202 1095 Q C 2.213 178.179 176.000 -0.056 0.000 0.978 1095 Q CA 1.987 57.683 55.803 -0.178 0.000 0.844 1095 Q CB -1.212 27.392 28.738 -0.224 0.000 0.898 1095 Q HN 0.661 nan 8.270 nan 0.000 0.426 1096 T N 1.768 116.306 114.554 -0.027 0.000 2.652 1096 T HA -0.102 4.238 4.350 -0.018 0.000 0.267 1096 T C 2.086 176.803 174.700 0.029 0.000 1.039 1096 T CA 1.182 63.288 62.100 0.010 0.000 1.153 1096 T CB -0.300 68.582 68.868 0.024 0.000 0.863 1096 T HN 0.189 nan 8.240 nan 0.000 0.428 1097 I N 0.786 121.383 120.570 0.044 0.000 2.163 1097 I HA -0.173 3.986 4.170 -0.018 0.000 0.243 1097 I C 2.343 178.516 176.117 0.093 0.000 1.085 1097 I CA 1.288 62.636 61.300 0.080 0.000 1.347 1097 I CB -0.467 37.612 38.000 0.132 0.000 1.044 1097 I HN 0.191 nan 8.210 nan 0.000 0.408 1098 L N 0.281 121.557 121.223 0.088 0.000 2.042 1098 L HA -0.227 4.102 4.340 -0.018 0.000 0.210 1098 L C 2.660 179.552 176.870 0.036 0.000 1.076 1098 L CA 1.207 56.096 54.840 0.081 0.000 0.749 1098 L CB -0.658 41.430 42.059 0.048 0.000 0.893 1098 L HN 0.207 nan 8.230 nan 0.000 0.432 1099 K N 0.329 120.741 120.400 0.021 0.000 2.057 1099 K HA -0.146 4.164 4.320 -0.018 0.000 0.207 1099 K C 2.136 178.752 176.600 0.026 0.000 1.049 1099 K CA 1.367 57.660 56.287 0.011 0.000 0.931 1099 K CB -0.354 32.151 32.500 0.008 0.000 0.714 1099 K HN 0.361 nan 8.250 nan 0.000 0.440 1100 R N 0.436 120.967 120.500 0.052 0.000 2.115 1100 R HA 0.066 4.395 4.340 -0.018 0.000 0.226 1100 R C 2.280 178.684 176.300 0.174 0.000 1.100 1100 R CA 0.649 56.804 56.100 0.092 0.000 0.980 1100 R CB -0.153 30.195 30.300 0.079 0.000 0.875 1100 R HN 0.114 nan 8.270 nan 0.000 0.445 1101 L N 0.175 121.474 121.223 0.126 0.000 2.509 1101 L HA -0.006 4.323 4.340 -0.018 0.000 0.222 1101 L C 2.148 179.066 176.870 0.079 0.000 1.123 1101 L CA 0.245 55.191 54.840 0.175 0.000 0.856 1101 L CB -0.107 41.976 42.059 0.041 0.000 0.985 1101 L HN 0.079 nan 8.230 nan 0.000 0.456 1102 E N 1.470 121.657 120.200 -0.022 0.000 2.070 1102 E HA -0.193 4.147 4.350 -0.018 0.000 0.197 1102 E C -0.639 175.840 176.600 -0.202 0.000 1.004 1102 E CA 1.777 58.098 56.400 -0.131 0.000 0.805 1102 E CB -1.018 28.626 29.700 -0.093 0.000 0.744 1102 E HN 0.224 nan 8.360 nan 0.000 0.451 1103 P HA -0.126 nan 4.420 nan 0.000 0.218 1103 P C 0.832 177.823 177.300 -0.514 0.000 1.148 1103 P CA 1.324 64.166 63.100 -0.430 0.000 0.822 1103 P CB -0.152 31.172 31.700 -0.628 0.000 0.784 1104 F N -0.213 119.642 119.950 -0.159 0.000 2.234 1104 F HA 0.033 4.549 4.527 -0.018 0.000 0.296 1104 F C 2.457 178.069 175.800 -0.312 0.000 1.089 1104 F CA 0.982 58.900 58.000 -0.138 0.000 1.343 1104 F CB -0.731 38.235 39.000 -0.057 0.000 1.040 1104 F HN -0.208 nan 8.300 nan 0.000 0.498 1105 K N 1.035 121.123 120.400 -0.519 0.000 2.063 1105 K HA -0.199 4.110 4.320 -0.018 0.000 0.208 1105 K C 2.008 178.391 176.600 -0.362 0.000 1.048 1105 K CA 1.454 57.165 56.287 -0.961 0.000 0.928 1105 K CB -0.081 31.795 32.500 -1.041 0.000 0.713 1105 K HN 0.165 nan 8.250 nan 0.000 0.442 1106 K N 0.488 120.739 120.400 -0.249 0.000 2.057 1106 K HA -0.148 4.161 4.320 -0.018 0.000 0.207 1106 K C 2.058 178.615 176.600 -0.072 0.000 1.049 1106 K CA 1.598 57.803 56.287 -0.138 0.000 0.931 1106 K CB 0.022 32.436 32.500 -0.143 0.000 0.714 1106 K HN 0.121 nan 8.250 nan 0.000 0.440 1107 K N 0.118 120.477 120.400 -0.068 0.000 2.148 1107 K HA -0.092 4.217 4.320 -0.018 0.000 0.204 1107 K C 0.772 177.417 176.600 0.075 0.000 1.050 1107 K CA 0.811 57.096 56.287 -0.003 0.000 0.942 1107 K CB 0.021 32.523 32.500 0.004 0.000 0.724 1107 K HN -0.015 nan 8.250 nan 0.000 0.446 1108 N N -0.157 118.629 118.700 0.142 0.000 2.733 1108 N HA 0.152 4.882 4.740 -0.018 0.000 0.271 1108 N C -2.542 173.212 175.510 0.406 0.000 1.720 1108 N CA -1.878 51.334 53.050 0.270 0.000 0.803 1108 N CB 1.072 39.774 38.487 0.358 0.000 1.208 1108 N HN -0.209 nan 8.380 nan 0.000 0.498 1109 P HA 0.046 nan 4.420 nan 0.000 0.223 1109 P C -0.084 177.423 177.300 0.345 0.000 1.151 1109 P CA 1.016 64.271 63.100 0.259 0.000 0.787 1109 P CB 0.387 32.160 31.700 0.122 0.000 0.788 1110 D N -0.933 119.621 120.400 0.257 0.000 2.368 1110 D HA 0.136 4.766 4.640 -0.018 0.000 0.218 1110 D C 1.237 177.611 176.300 0.123 0.000 1.112 1110 D CA 0.163 54.270 54.000 0.178 0.000 0.834 1110 D CB 0.102 40.966 40.800 0.107 0.000 0.953 1110 D HN 0.076 nan 8.370 nan 0.000 0.505 1111 G N 0.750 109.663 108.800 0.189 0.000 2.599 1111 G HA2 0.328 4.277 3.960 -0.018 0.000 0.264 1111 G HA3 0.328 4.277 3.960 -0.018 0.000 0.264 1111 G C 0.416 174.990 174.900 -0.543 0.000 1.200 1111 G CA -0.300 44.743 45.100 -0.096 0.000 0.896 1111 G HN 0.143 nan 8.290 nan 0.000 0.536 1112 S N -0.490 114.834 115.700 -0.627 0.000 2.672 1112 S HA 0.143 4.602 4.470 -0.018 0.000 0.276 1112 S C 1.143 175.101 174.600 -1.070 0.000 1.207 1112 S CA -0.554 57.248 58.200 -0.662 0.000 1.002 1112 S CB 1.123 64.151 63.200 -0.286 0.000 0.998 1112 S HN 0.800 nan 8.310 nan 0.000 0.542 1113 W N 1.580 122.375 121.300 -0.841 0.000 2.304 1113 W HA -0.260 4.390 4.660 -0.017 0.000 0.315 1113 W C 1.228 177.621 176.519 -0.209 0.000 1.233 1113 W CA 2.436 59.550 57.345 -0.385 0.000 1.261 1113 W CB -0.510 28.880 29.460 -0.116 0.000 1.150 1113 W HN 0.858 nan 8.180 nan 0.000 0.494 1114 E N 0.687 120.806 120.200 -0.135 0.000 2.085 1114 E HA -0.222 4.118 4.350 -0.018 0.000 0.194 1114 E C 1.675 178.147 176.600 -0.214 0.000 0.994 1114 E CA 2.040 58.343 56.400 -0.161 0.000 0.801 1114 E CB -0.733 28.937 29.700 -0.050 0.000 0.743 1114 E HN 0.195 nan 8.360 nan 0.000 0.453 1115 D N -0.620 119.626 120.400 -0.256 0.000 2.097 1115 D HA -0.159 4.470 4.640 -0.018 0.000 0.195 1115 D C 1.672 177.927 176.300 -0.076 0.000 0.989 1115 D CA 0.853 54.746 54.000 -0.180 0.000 0.827 1115 D CB -0.258 40.406 40.800 -0.227 0.000 0.966 1115 D HN 0.287 nan 8.370 nan 0.000 0.456 1116 W N 1.063 122.286 121.300 -0.130 0.000 2.358 1116 W HA -0.059 4.590 4.660 -0.018 0.000 0.303 1116 W C 2.367 178.662 176.519 -0.373 0.000 1.208 1116 W CA 0.104 57.346 57.345 -0.172 0.000 1.274 1116 W CB -1.338 28.047 29.460 -0.125 0.000 1.138 1116 W HN -0.128 nan 8.180 nan 0.000 0.515 1117 V N 0.680 120.423 119.914 -0.284 0.000 2.295 1117 V HA -0.329 3.781 4.120 -0.018 0.000 0.246 1117 V C 2.296 178.250 176.094 -0.233 0.000 1.049 1117 V CA 2.229 64.297 62.300 -0.386 0.000 1.024 1117 V CB -0.935 30.568 31.823 -0.534 0.000 0.648 1117 V HN 0.035 nan 8.190 nan 0.000 0.447 1118 M N 0.757 120.262 119.600 -0.159 0.000 2.159 1118 M HA -0.068 4.401 4.480 -0.018 0.000 0.263 1118 M C 2.012 178.273 176.300 -0.065 0.000 1.063 1118 M CA 2.055 57.320 55.300 -0.058 0.000 1.110 1118 M CB -0.798 31.778 32.600 -0.040 0.000 1.374 1118 M HN 0.268 nan 8.290 nan 0.000 0.411 1119 A N -0.397 122.343 122.820 -0.135 0.000 1.902 1119 A HA 0.043 4.352 4.320 -0.018 0.000 0.217 1119 A C 2.366 179.615 177.584 -0.558 0.000 1.181 1119 A CA 2.028 53.957 52.037 -0.180 0.000 0.623 1119 A CB -1.384 17.621 19.000 0.010 0.000 0.818 1119 A HN 0.619 nan 8.150 nan 0.000 0.443 1120 A N -1.401 120.851 122.820 -0.948 0.000 1.873 1120 A HA -0.094 4.216 4.320 -0.018 0.000 0.215 1120 A C 2.151 179.491 177.584 -0.408 0.000 1.186 1120 A CA 1.674 53.038 52.037 -1.122 0.000 0.616 1120 A CB -0.873 17.613 19.000 -0.856 0.000 0.823 1120 A HN 0.749 nan 8.150 nan 0.000 0.442 1121 Y N 0.763 120.873 120.300 -0.317 0.000 2.128 1121 Y HA -0.244 4.295 4.550 -0.018 0.000 0.284 1121 Y C 2.409 178.238 175.900 -0.118 0.000 1.154 1121 Y CA 2.347 60.343 58.100 -0.172 0.000 1.149 1121 Y CB -0.405 37.975 38.460 -0.133 0.000 0.976 1121 Y HN 0.425 nan 8.280 nan 0.000 0.505 1122 Q N -0.850 118.792 119.800 -0.263 0.000 2.364 1122 Q HA -0.155 4.175 4.340 -0.018 0.000 0.207 1122 Q C 0.851 176.738 176.000 -0.188 0.000 0.970 1122 Q CA 1.448 57.099 55.803 -0.254 0.000 0.888 1122 Q CB -0.089 28.611 28.738 -0.063 0.000 0.951 1122 Q HN 0.546 nan 8.270 nan 0.000 0.469 1123 D N -0.158 120.156 120.400 -0.142 0.000 2.340 1123 D HA 0.089 4.718 4.640 -0.018 0.000 0.217 1123 D C -0.540 175.732 176.300 -0.046 0.000 1.081 1123 D CA -0.103 53.890 54.000 -0.011 0.000 0.842 1123 D CB 0.267 41.200 40.800 0.222 0.000 0.934 1123 D HN 0.006 nan 8.370 nan 0.000 0.511 1124 R N -0.579 119.819 120.500 -0.171 0.000 3.336 1124 R HA -0.134 4.195 4.340 -0.018 0.000 0.260 1124 R C -0.996 175.270 176.300 -0.057 0.000 1.032 1124 R CA -0.036 55.973 56.100 -0.152 0.000 0.693 1124 R CB -2.178 28.050 30.300 -0.120 0.000 1.134 1124 R HN 0.048 nan 8.270 nan 0.000 0.433 1125 V N 0.849 120.734 119.914 -0.048 0.000 2.427 1125 V HA 0.213 4.322 4.120 -0.018 0.000 0.286 1125 V C 0.899 176.989 176.094 -0.007 0.000 1.034 1125 V CA -0.315 61.989 62.300 0.008 0.000 0.893 1125 V CB 1.846 33.708 31.823 0.065 0.000 0.982 1125 V HN 0.373 nan 8.190 nan 0.000 0.452 1126 S N 4.635 120.343 115.700 0.014 0.000 2.549 1126 S HA 0.314 4.774 4.470 -0.018 0.000 0.283 1126 S C 0.284 174.893 174.600 0.016 0.000 1.320 1126 S CA -0.303 57.908 58.200 0.019 0.000 1.058 1126 S CB 0.140 63.354 63.200 0.024 0.000 0.882 1126 S HN 0.595 nan 8.310 nan 0.000 0.498 1127 L N 4.137 125.367 121.223 0.012 0.000 3.062 1127 L HA 0.354 4.683 4.340 -0.018 0.000 0.255 1127 L C 0.375 177.257 176.870 0.020 0.000 1.274 1127 L CA -0.199 54.639 54.840 -0.003 0.000 1.047 1127 L CB 0.461 42.496 42.059 -0.039 0.000 1.402 1127 L HN 0.552 nan 8.230 nan 0.000 0.550 1128 S N -0.561 115.172 115.700 0.055 0.000 2.557 1128 S HA 0.708 5.168 4.470 -0.018 0.000 0.291 1128 S C -0.672 173.985 174.600 0.095 0.000 1.116 1128 S CA -0.291 57.991 58.200 0.136 0.000 0.992 1128 S CB 1.994 65.303 63.200 0.182 0.000 1.028 1128 S HN 0.092 nan 8.310 nan 0.000 0.484 1129 T N 1.999 116.600 114.554 0.079 0.000 2.889 1129 T HA 0.634 4.974 4.350 -0.018 0.000 0.315 1129 T C -0.436 174.291 174.700 0.045 0.000 1.291 1129 T CA -0.314 61.820 62.100 0.057 0.000 1.028 1129 T CB 1.450 70.347 68.868 0.048 0.000 1.235 1129 T HN 0.866 nan 8.240 nan 0.000 0.491 1130 T N 0.626 115.215 114.554 0.058 0.000 2.874 1130 T HA 0.761 5.101 4.350 -0.018 0.000 0.281 1130 T C 0.466 175.225 174.700 0.098 0.000 0.994 1130 T CA -0.382 61.764 62.100 0.076 0.000 1.015 1130 T CB 1.192 70.110 68.868 0.083 0.000 1.028 1130 T HN 0.918 nan 8.240 nan 0.000 0.523 1131 G N 0.031 108.915 108.800 0.141 0.000 2.620 1131 G HA2 0.640 4.590 3.960 -0.018 0.000 0.301 1131 G HA3 0.640 4.590 3.960 -0.018 0.000 0.301 1131 G C -2.097 172.973 174.900 0.284 0.000 1.347 1131 G CA -0.840 44.364 45.100 0.173 0.000 0.971 1131 G HN 0.730 nan 8.290 nan 0.000 0.488 1132 F N 1.115 121.126 119.950 0.102 0.000 2.608 1132 F HA 0.700 5.217 4.527 -0.017 0.000 0.309 1132 F C -1.928 173.970 175.800 0.164 0.000 1.103 1132 F CA -1.119 56.947 58.000 0.110 0.000 0.954 1132 F CB 2.332 41.371 39.000 0.066 0.000 1.267 1132 F HN 0.562 nan 8.300 nan 0.000 0.444 1133 Y N 5.580 125.544 120.300 -0.561 0.000 2.457 1133 Y HA 0.629 5.169 4.550 -0.018 0.000 0.343 1133 Y C -1.509 174.034 175.900 -0.595 0.000 0.994 1133 Y CA -1.078 56.790 58.100 -0.386 0.000 1.031 1133 Y CB 1.427 39.728 38.460 -0.265 0.000 1.246 1133 Y HN 0.720 nan 8.280 nan 0.000 0.449 1134 R N 4.041 123.932 120.500 -1.014 0.000 2.502 1134 R HA 0.412 4.741 4.340 -0.018 0.000 0.300 1134 R C -1.219 174.439 176.300 -1.070 0.000 0.984 1134 R CA -0.512 55.117 56.100 -0.785 0.000 0.882 1134 R CB 1.362 31.504 30.300 -0.263 0.000 1.180 1134 R HN 0.840 nan 8.270 nan 0.000 0.444 1135 T N 7.050 121.078 114.554 -0.876 0.000 2.829 1135 T HA 0.117 4.457 4.350 -0.018 0.000 0.293 1135 T C -2.059 172.400 174.700 -0.401 0.000 0.970 1135 T CA -0.504 61.202 62.100 -0.657 0.000 1.168 1135 T CB 0.603 69.198 68.868 -0.456 0.000 0.911 1135 T HN 0.461 nan 8.240 nan 0.000 0.535 1136 P HA 0.266 nan 4.420 nan 0.000 0.279 1136 P C -0.149 177.123 177.300 -0.046 0.000 1.252 1136 P CA -0.572 62.459 63.100 -0.115 0.000 0.811 1136 P CB 0.487 32.176 31.700 -0.018 0.000 1.035 1137 N N -0.727 117.963 118.700 -0.016 0.000 2.758 1137 N HA -0.140 4.590 4.740 -0.018 0.000 0.248 1137 N C -0.710 174.803 175.510 0.005 0.000 1.076 1137 N CA 0.793 53.852 53.050 0.014 0.000 0.696 1137 N CB -1.810 36.709 38.487 0.053 0.000 0.979 1137 N HN 0.473 nan 8.380 nan 0.000 0.550 1138 L N -0.347 120.858 121.223 -0.030 0.000 2.334 1138 L HA 0.758 5.087 4.340 -0.018 0.000 0.273 1138 L C 0.933 177.784 176.870 -0.032 0.000 1.013 1138 L CA -0.510 54.302 54.840 -0.047 0.000 0.816 1138 L CB 2.007 44.016 42.059 -0.083 0.000 1.278 1138 L HN 0.273 nan 8.230 nan 0.000 0.431 1139 G N 1.741 110.523 108.800 -0.031 0.000 2.246 1139 G HA2 -0.063 3.887 3.960 -0.018 0.000 0.196 1139 G HA3 -0.063 3.887 3.960 -0.018 0.000 0.196 1139 G C -1.546 173.366 174.900 0.020 0.000 2.264 1139 G CA -0.804 44.296 45.100 -0.000 0.000 1.089 1139 G HN 0.411 nan 8.290 nan 0.000 0.599 1140 Y N 2.227 122.464 120.300 -0.104 0.000 2.309 1140 Y HA 0.697 5.237 4.550 -0.017 0.000 0.327 1140 Y C 0.434 176.323 175.900 -0.019 0.000 1.172 1140 Y CA -0.058 57.981 58.100 -0.103 0.000 1.280 1140 Y CB 1.869 40.197 38.460 -0.220 0.000 1.234 1140 Y HN 0.529 nan 8.280 nan 0.000 0.512 1141 S N 5.910 121.102 115.700 -0.847 0.000 2.474 1141 S HA 0.296 4.756 4.470 -0.018 0.000 0.321 1141 S C 0.318 174.409 174.600 -0.849 0.000 1.080 1141 S CA -0.661 57.207 58.200 -0.554 0.000 1.106 1141 S CB -0.083 62.944 63.200 -0.289 0.000 0.984 1141 S HN 0.731 nan 8.310 nan 0.000 0.464 1142 F N 2.757 122.496 119.950 -0.352 0.000 2.333 1142 F HA 0.002 4.518 4.527 -0.018 0.000 0.300 1142 F C 1.651 177.403 175.800 -0.081 0.000 1.083 1142 F CA 0.861 58.811 58.000 -0.083 0.000 1.395 1142 F CB 0.093 39.143 39.000 0.083 0.000 1.056 1142 F HN 0.696 nan 8.300 nan 0.000 0.529 1143 E N -0.155 120.070 120.200 0.043 0.000 2.282 1143 E HA 0.338 4.677 4.350 -0.018 0.000 0.247 1143 E C 0.257 176.822 176.600 -0.058 0.000 1.113 1143 E CA 0.417 56.822 56.400 0.010 0.000 1.095 1143 E CB -0.089 29.627 29.700 0.028 0.000 1.328 1143 E HN 0.299 nan 8.360 nan 0.000 0.463 1144 T N -1.395 113.106 114.554 -0.089 0.000 4.874 1144 T HA -0.106 4.234 4.350 -0.018 0.000 0.297 1144 T C 0.517 175.166 174.700 -0.086 0.000 1.005 1144 T CA -0.136 61.917 62.100 -0.078 0.000 0.561 1144 T CB -1.144 67.673 68.868 -0.085 0.000 0.843 1144 T HN 0.324 nan 8.240 nan 0.000 0.601 1145 N N 1.551 120.155 118.700 -0.161 0.000 2.725 1145 N HA -0.159 4.570 4.740 -0.018 0.000 0.251 1145 N C -0.252 175.256 175.510 -0.003 0.000 1.031 1145 N CA 1.344 54.355 53.050 -0.065 0.000 0.720 1145 N CB -1.319 37.226 38.487 0.096 0.000 0.930 1145 N HN 1.410 nan 8.380 nan 0.000 0.543 1146 S N -1.621 113.961 115.700 -0.196 0.000 2.638 1146 S HA 0.887 5.346 4.470 -0.018 0.000 0.274 1146 S C 0.131 174.688 174.600 -0.072 0.000 1.157 1146 S CA 0.149 58.324 58.200 -0.042 0.000 0.826 1146 S CB 1.749 64.922 63.200 -0.044 0.000 1.139 1146 S HN 1.553 nan 8.310 nan 0.000 0.474 1147 G N 1.250 110.069 108.800 0.032 0.000 2.719 1147 G HA2 -0.049 3.900 3.960 -0.018 0.000 0.686 1147 G HA3 -0.049 3.900 3.960 -0.018 0.000 0.686 1147 G C -1.255 173.717 174.900 0.119 0.000 1.201 1147 G CA -0.983 44.141 45.100 0.041 0.000 0.768 1147 G HN 0.884 nan 8.290 nan 0.000 0.629 1148 N N 0.599 119.327 118.700 0.048 0.000 2.452 1148 N HA 0.398 5.127 4.740 -0.018 0.000 0.266 1148 N C 1.284 176.711 175.510 -0.137 0.000 1.175 1148 N CA 0.540 53.592 53.050 0.004 0.000 0.945 1148 N CB 1.588 40.082 38.487 0.013 0.000 1.063 1148 N HN 1.015 nan 8.380 nan 0.000 0.472 1149 A N 2.921 125.512 122.820 -0.382 0.000 1.975 1149 A HA 0.172 4.482 4.320 -0.018 0.000 0.215 1149 A C 0.151 177.003 177.584 -1.221 0.000 1.170 1149 A CA 0.801 52.211 52.037 -1.046 0.000 0.656 1149 A CB 0.100 17.777 19.000 -2.205 0.000 0.821 1149 A HN 0.574 nan 8.150 nan 0.000 0.449 1150 F N -3.763 115.963 119.950 -0.374 0.000 2.603 1150 F HA 0.473 4.990 4.527 -0.017 0.000 0.317 1150 F C 1.040 176.676 175.800 -0.274 0.000 1.066 1150 F CA -0.791 56.941 58.000 -0.446 0.000 0.941 1150 F CB 1.126 39.636 39.000 -0.817 0.000 1.291 1150 F HN 0.090 nan 8.300 nan 0.000 0.472 1151 H N 0.651 119.620 119.070 -0.170 0.000 2.363 1151 H HA 0.053 4.599 4.556 -0.017 0.000 0.301 1151 H C -0.794 174.551 175.328 0.028 0.000 1.074 1151 H CA 1.844 57.855 56.048 -0.062 0.000 1.354 1151 H CB 0.199 29.957 29.762 -0.006 0.000 1.397 1151 H HN 0.538 nan 8.280 nan 0.000 0.516 1152 Y N -4.326 115.844 120.300 -0.217 0.000 2.895 1152 Y HA 0.435 4.974 4.550 -0.018 0.000 0.339 1152 Y C -1.807 173.771 175.900 -0.536 0.000 1.363 1152 Y CA -2.053 55.888 58.100 -0.265 0.000 1.085 1152 Y CB 0.548 38.912 38.460 -0.160 0.000 1.500 1152 Y HN -0.203 nan 8.280 nan 0.000 0.442 1153 F N 0.296 120.273 119.950 0.043 0.000 2.551 1153 F HA 0.693 5.210 4.527 -0.017 0.000 0.316 1153 F C -0.139 175.427 175.800 -0.389 0.000 1.089 1153 F CA -0.849 56.957 58.000 -0.324 0.000 0.915 1153 F CB 2.633 41.342 39.000 -0.486 0.000 1.186 1153 F HN 0.479 nan 8.300 nan 0.000 0.456 1154 T N 2.084 116.530 114.554 -0.180 0.000 2.867 1154 T HA 0.525 4.865 4.350 -0.018 0.000 0.282 1154 T C -1.159 173.376 174.700 -0.275 0.000 1.000 1154 T CA -0.407 61.623 62.100 -0.116 0.000 1.042 1154 T CB 0.545 69.450 68.868 0.062 0.000 0.973 1154 T HN 0.319 nan 8.240 nan 0.000 0.465 1155 Y N 0.122 120.507 120.300 0.141 0.000 2.570 1155 Y HA 0.734 5.273 4.550 -0.018 0.000 0.345 1155 Y C 0.672 176.616 175.900 0.073 0.000 1.014 1155 Y CA -0.902 57.243 58.100 0.075 0.000 1.063 1155 Y CB 2.618 41.047 38.460 -0.051 0.000 1.272 1155 Y HN 0.906 nan 8.280 nan 0.000 0.477 1156 G N 0.039 108.994 108.800 0.258 0.000 2.601 1156 G HA2 0.577 4.527 3.960 -0.018 0.000 0.291 1156 G HA3 0.577 4.527 3.960 -0.018 0.000 0.291 1156 G C -2.401 172.619 174.900 0.200 0.000 1.456 1156 G CA -0.705 44.510 45.100 0.191 0.000 0.804 1156 G HN 0.481 nan 8.290 nan 0.000 0.499 1157 V N -0.397 119.615 119.914 0.163 0.000 2.841 1157 V HA 0.890 4.999 4.120 -0.018 0.000 0.310 1157 V C -0.069 176.080 176.094 0.092 0.000 1.090 1157 V CA -0.339 62.062 62.300 0.167 0.000 0.930 1157 V CB 1.727 33.658 31.823 0.180 0.000 1.014 1157 V HN 1.720 nan 8.190 nan 0.000 0.425 1158 A N 2.247 125.117 122.820 0.084 0.000 2.422 1158 A HA 0.777 5.086 4.320 -0.018 0.000 0.302 1158 A C -0.940 176.650 177.584 0.009 0.000 1.041 1158 A CA -0.456 51.614 52.037 0.055 0.000 0.708 1158 A CB 1.671 20.772 19.000 0.169 0.000 1.257 1158 A HN 1.113 nan 8.150 nan 0.000 0.414 1159 C N 1.947 121.231 119.300 -0.026 0.000 2.379 1159 C HA 0.871 5.320 4.460 -0.018 0.000 0.323 1159 C C -0.037 174.968 174.990 0.025 0.000 1.262 1159 C CA -0.034 58.972 59.018 -0.020 0.000 1.581 1159 C CB 0.225 27.930 27.740 -0.058 0.000 2.221 1159 C HN 0.853 nan 8.230 nan 0.000 0.497 1160 S N 3.450 119.185 115.700 0.057 0.000 2.548 1160 S HA 0.585 5.045 4.470 -0.018 0.000 0.286 1160 S C -1.337 173.280 174.600 0.027 0.000 1.098 1160 S CA -0.474 57.758 58.200 0.053 0.000 0.930 1160 S CB 1.722 64.989 63.200 0.110 0.000 1.070 1160 S HN 0.882 nan 8.310 nan 0.000 0.480 1161 E N 1.560 121.758 120.200 -0.003 0.000 2.222 1161 E HA 0.675 5.014 4.350 -0.018 0.000 0.267 1161 E C -1.245 175.334 176.600 -0.035 0.000 0.884 1161 E CA -0.811 55.568 56.400 -0.035 0.000 0.764 1161 E CB 1.471 31.131 29.700 -0.066 0.000 1.169 1161 E HN 0.503 nan 8.360 nan 0.000 0.413 1162 V N 0.488 120.374 119.914 -0.047 0.000 3.040 1162 V HA 0.654 4.764 4.120 -0.018 0.000 0.312 1162 V C -0.954 175.095 176.094 -0.075 0.000 1.115 1162 V CA -0.833 61.455 62.300 -0.020 0.000 0.998 1162 V CB 1.869 33.703 31.823 0.018 0.000 1.042 1162 V HN 0.817 nan 8.190 nan 0.000 0.433 1163 E N 2.316 122.486 120.200 -0.050 0.000 2.199 1163 E HA 0.625 4.964 4.350 -0.018 0.000 0.265 1163 E C -0.939 175.679 176.600 0.030 0.000 0.882 1163 E CA -0.925 55.424 56.400 -0.084 0.000 0.759 1163 E CB 1.962 31.567 29.700 -0.159 0.000 1.148 1163 E HN 0.935 nan 8.360 nan 0.000 0.412 1164 I N 0.886 121.485 120.570 0.049 0.000 2.498 1164 I HA 0.498 4.658 4.170 -0.018 0.000 0.301 1164 I C -0.373 175.809 176.117 0.109 0.000 0.984 1164 I CA -0.791 60.562 61.300 0.088 0.000 1.204 1164 I CB 1.652 39.684 38.000 0.053 0.000 1.362 1164 I HN 0.350 nan 8.210 nan 0.000 0.471 1165 D N 5.423 125.883 120.400 0.100 0.000 2.428 1165 D HA 0.238 4.868 4.640 -0.018 0.000 0.221 1165 D C 0.664 177.031 176.300 0.112 0.000 1.123 1165 D CA -0.447 53.617 54.000 0.107 0.000 0.869 1165 D CB 1.319 42.156 40.800 0.062 0.000 1.032 1165 D HN 0.760 nan 8.370 nan 0.000 0.506 1166 C N 3.371 122.777 119.300 0.177 0.000 2.422 1166 C HA -0.040 4.409 4.460 -0.018 0.000 0.286 1166 C C 2.557 177.650 174.990 0.172 0.000 1.412 1166 C CA 0.039 59.180 59.018 0.205 0.000 1.786 1166 C CB -0.887 27.043 27.740 0.317 0.000 1.835 1166 C HN 0.663 nan 8.230 nan 0.000 0.533 1167 L N 0.833 122.112 121.223 0.094 0.000 2.375 1167 L HA -0.007 4.322 4.340 -0.018 0.000 0.215 1167 L C 2.543 179.346 176.870 -0.110 0.000 1.108 1167 L CA 1.706 56.490 54.840 -0.093 0.000 0.830 1167 L CB -0.329 41.572 42.059 -0.263 0.000 0.959 1167 L HN 0.550 nan 8.230 nan 0.000 0.457 1168 T N -6.200 108.326 114.554 -0.046 0.000 2.958 1168 T HA 0.266 4.606 4.350 -0.018 0.000 0.256 1168 T C 1.454 176.144 174.700 -0.016 0.000 0.983 1168 T CA 0.542 62.612 62.100 -0.050 0.000 0.924 1168 T CB 1.033 69.871 68.868 -0.049 0.000 1.136 1168 T HN 0.265 nan 8.240 nan 0.000 0.506 1169 G N 1.471 110.279 108.800 0.013 0.000 2.179 1169 G HA2 -0.237 3.713 3.960 -0.018 0.000 0.260 1169 G HA3 -0.237 3.713 3.960 -0.018 0.000 0.260 1169 G C -0.151 174.779 174.900 0.049 0.000 0.977 1169 G CA 0.228 45.343 45.100 0.026 0.000 0.641 1169 G HN 0.726 nan 8.290 nan 0.000 0.533 1170 D N 1.213 121.636 120.400 0.038 0.000 2.362 1170 D HA 0.487 5.117 4.640 -0.018 0.000 0.242 1170 D C 0.711 177.071 176.300 0.100 0.000 1.132 1170 D CA 0.439 54.464 54.000 0.042 0.000 0.907 1170 D CB 0.324 41.116 40.800 -0.013 0.000 1.195 1170 D HN 0.627 nan 8.370 nan 0.000 0.429 1171 H N -0.931 118.118 119.070 -0.035 0.000 2.985 1171 H HA 0.530 5.075 4.556 -0.019 0.000 0.360 1171 H C -1.186 174.115 175.328 -0.045 0.000 1.221 1171 H CA -0.922 55.103 56.048 -0.039 0.000 1.121 1171 H CB 0.841 30.573 29.762 -0.051 0.000 1.854 1171 H HN 0.185 nan 8.280 nan 0.000 0.551 1172 K N 1.720 122.066 120.400 -0.091 0.000 2.292 1172 K HA 0.289 4.599 4.320 -0.018 0.000 0.257 1172 K C -0.711 175.870 176.600 -0.031 0.000 0.940 1172 K CA -0.956 55.245 56.287 -0.142 0.000 0.811 1172 K CB 1.588 34.040 32.500 -0.080 0.000 1.120 1172 K HN 0.453 nan 8.250 nan 0.000 0.428 1173 N N 3.732 122.396 118.700 -0.060 0.000 2.401 1173 N HA 0.108 4.838 4.740 -0.018 0.000 0.255 1173 N C 0.479 175.964 175.510 -0.043 0.000 1.110 1173 N CA 0.037 53.083 53.050 -0.006 0.000 0.949 1173 N CB 0.906 39.381 38.487 -0.020 0.000 1.110 1173 N HN 0.484 nan 8.380 nan 0.000 0.490 1174 L N 1.361 122.560 121.223 -0.040 0.000 2.168 1174 L HA 0.203 4.532 4.340 -0.018 0.000 0.203 1174 L C 0.984 177.828 176.870 -0.044 0.000 1.078 1174 L CA 0.612 55.420 54.840 -0.053 0.000 0.780 1174 L CB 0.173 42.185 42.059 -0.078 0.000 0.939 1174 L HN 0.416 nan 8.230 nan 0.000 0.451 1175 R N -0.862 119.612 120.500 -0.043 0.000 2.579 1175 R HA 0.339 4.669 4.340 -0.018 0.000 0.260 1175 R C -1.718 174.558 176.300 -0.039 0.000 1.103 1175 R CA -0.259 55.820 56.100 -0.034 0.000 0.942 1175 R CB 1.913 32.196 30.300 -0.029 0.000 1.251 1175 R HN -0.216 nan 8.270 nan 0.000 0.450 1176 T N 2.717 117.242 114.554 -0.048 0.000 2.881 1176 T HA 0.370 4.709 4.350 -0.018 0.000 0.290 1176 T C -1.654 173.027 174.700 -0.032 0.000 1.000 1176 T CA -0.623 61.431 62.100 -0.077 0.000 0.978 1176 T CB 1.599 70.312 68.868 -0.258 0.000 0.997 1176 T HN 0.515 nan 8.240 nan 0.000 0.443 1177 D N 2.007 122.377 120.400 -0.050 0.000 2.502 1177 D HA 0.611 5.240 4.640 -0.018 0.000 0.249 1177 D C -0.591 175.668 176.300 -0.069 0.000 1.092 1177 D CA -0.334 53.638 54.000 -0.048 0.000 0.839 1177 D CB 1.527 42.299 40.800 -0.046 0.000 1.264 1177 D HN 0.354 nan 8.370 nan 0.000 0.511 1178 I N 1.722 122.250 120.570 -0.071 0.000 2.465 1178 I HA 0.430 4.589 4.170 -0.018 0.000 0.291 1178 I C -0.862 175.238 176.117 -0.028 0.000 1.014 1178 I CA -1.089 60.180 61.300 -0.052 0.000 1.093 1178 I CB 2.052 40.006 38.000 -0.077 0.000 1.267 1178 I HN 0.027 nan 8.210 nan 0.000 0.431 1179 V N 6.644 126.559 119.914 0.001 0.000 2.407 1179 V HA 0.483 4.593 4.120 -0.018 0.000 0.291 1179 V C -0.119 176.004 176.094 0.048 0.000 1.018 1179 V CA -0.477 61.831 62.300 0.013 0.000 0.842 1179 V CB 1.620 33.449 31.823 0.009 0.000 0.996 1179 V HN 0.584 nan 8.190 nan 0.000 0.426 1180 M N 3.473 123.101 119.600 0.045 0.000 2.311 1180 M HA 0.421 4.891 4.480 -0.018 0.000 0.325 1180 M C -0.687 175.656 176.300 0.071 0.000 1.061 1180 M CA -0.672 54.670 55.300 0.071 0.000 0.957 1180 M CB 1.671 34.307 32.600 0.060 0.000 1.646 1180 M HN 0.700 nan 8.290 nan 0.000 0.434 1181 D N 3.178 123.641 120.400 0.106 0.000 2.393 1181 D HA 0.307 4.936 4.640 -0.018 0.000 0.232 1181 D C 0.384 176.743 176.300 0.099 0.000 1.192 1181 D CA -0.268 53.798 54.000 0.109 0.000 0.882 1181 D CB 0.594 41.499 40.800 0.174 0.000 1.038 1181 D HN 0.417 nan 8.370 nan 0.000 0.499 1182 V N 2.036 121.988 119.914 0.062 0.000 3.006 1182 V HA 0.597 4.706 4.120 -0.018 0.000 0.357 1182 V C 1.154 177.262 176.094 0.023 0.000 1.377 1182 V CA 0.231 62.561 62.300 0.050 0.000 1.198 1182 V CB -0.333 31.514 31.823 0.039 0.000 1.216 1182 V HN 0.666 nan 8.190 nan 0.000 0.520 1183 G N 1.587 110.395 108.800 0.015 0.000 2.574 1183 G HA2 -0.260 3.690 3.960 -0.018 0.000 0.282 1183 G HA3 -0.260 3.690 3.960 -0.018 0.000 0.282 1183 G C 0.070 174.964 174.900 -0.010 0.000 1.257 1183 G CA 0.113 45.202 45.100 -0.018 0.000 0.956 1183 G HN 1.046 nan 8.290 nan 0.000 0.560 1184 S N 0.360 116.049 115.700 -0.018 0.000 2.411 1184 S HA 0.513 4.972 4.470 -0.018 0.000 0.304 1184 S C 0.542 175.141 174.600 -0.001 0.000 1.098 1184 S CA 0.601 58.796 58.200 -0.008 0.000 1.068 1184 S CB 1.206 64.402 63.200 -0.007 0.000 1.032 1184 S HN 1.278 nan 8.310 nan 0.000 0.511 1185 S N 3.726 119.426 115.700 0.000 0.000 2.544 1185 S HA 0.116 4.575 4.470 -0.018 0.000 0.290 1185 S C 1.380 175.983 174.600 0.005 0.000 1.276 1185 S CA -0.617 57.586 58.200 0.005 0.000 1.075 1185 S CB -0.027 63.174 63.200 0.003 0.000 0.849 1185 S HN 0.657 nan 8.310 nan 0.000 0.494 1186 L N 3.442 124.675 121.223 0.016 0.000 2.127 1186 L HA -0.003 4.326 4.340 -0.018 0.000 0.211 1186 L C 1.191 178.061 176.870 0.000 0.000 1.089 1186 L CA 0.813 55.664 54.840 0.017 0.000 0.757 1186 L CB -0.326 41.755 42.059 0.037 0.000 0.899 1186 L HN 0.658 nan 8.230 nan 0.000 0.434 1187 N N -1.442 117.259 118.700 0.002 0.000 2.747 1187 N HA 0.140 4.870 4.740 -0.018 0.000 0.262 1187 N C -2.350 173.160 175.510 0.001 0.000 1.261 1187 N CA -1.110 51.939 53.050 -0.001 0.000 0.809 1187 N CB 1.580 40.067 38.487 0.000 0.000 1.450 1187 N HN -0.295 nan 8.380 nan 0.000 0.560 1188 P HA -0.015 nan 4.420 nan 0.000 0.218 1188 P C 1.000 178.297 177.300 -0.006 0.000 1.149 1188 P CA 1.071 64.167 63.100 -0.006 0.000 0.817 1188 P CB 0.421 32.115 31.700 -0.011 0.000 0.785 1189 A N -0.436 122.383 122.820 -0.001 0.000 1.872 1189 A HA -0.136 4.174 4.320 -0.018 0.000 0.214 1189 A C 2.041 179.633 177.584 0.014 0.000 1.187 1189 A CA 1.288 53.326 52.037 0.003 0.000 0.614 1189 A CB -1.396 17.610 19.000 0.011 0.000 0.826 1189 A HN 0.001 nan 8.150 nan 0.000 0.442 1190 I N 0.930 121.513 120.570 0.023 0.000 2.179 1190 I HA -0.190 3.970 4.170 -0.018 0.000 0.242 1190 I C 1.768 177.902 176.117 0.028 0.000 1.088 1190 I CA 1.509 62.830 61.300 0.036 0.000 1.357 1190 I CB -1.647 36.371 38.000 0.031 0.000 1.051 1190 I HN 0.266 nan 8.210 nan 0.000 0.409 1191 D N 0.814 121.224 120.400 0.017 0.000 2.117 1191 D HA -0.127 4.502 4.640 -0.018 0.000 0.197 1191 D C 2.398 178.702 176.300 0.007 0.000 0.987 1191 D CA 1.097 55.106 54.000 0.016 0.000 0.829 1191 D CB -0.203 40.605 40.800 0.013 0.000 0.961 1191 D HN 0.306 nan 8.370 nan 0.000 0.460 1192 I N 0.848 121.413 120.570 -0.010 0.000 2.286 1192 I HA -0.164 3.995 4.170 -0.018 0.000 0.248 1192 I C 2.469 178.562 176.117 -0.040 0.000 1.115 1192 I CA 1.255 62.532 61.300 -0.038 0.000 1.392 1192 I CB -0.441 37.523 38.000 -0.060 0.000 1.065 1192 I HN 0.032 nan 8.210 nan 0.000 0.418 1193 G N -0.005 108.787 108.800 -0.013 0.000 2.422 1193 G HA2 -0.224 3.725 3.960 -0.018 0.000 0.218 1193 G HA3 -0.224 3.725 3.960 -0.018 0.000 0.218 1193 G C 1.577 176.501 174.900 0.041 0.000 1.146 1193 G CA 0.323 45.427 45.100 0.007 0.000 0.769 1193 G HN 0.295 nan 8.290 nan 0.000 0.547 1194 Q N 0.162 119.992 119.800 0.050 0.000 2.079 1194 Q HA -0.037 4.293 4.340 -0.018 0.000 0.200 1194 Q C 2.988 179.037 176.000 0.081 0.000 0.974 1194 Q CA 0.979 56.825 55.803 0.072 0.000 0.840 1194 Q CB -0.644 28.129 28.738 0.058 0.000 0.898 1194 Q HN 0.423 nan 8.270 nan 0.000 0.430 1195 V N 1.456 121.403 119.914 0.056 0.000 2.261 1195 V HA -0.256 3.853 4.120 -0.018 0.000 0.246 1195 V C 2.167 178.340 176.094 0.132 0.000 1.047 1195 V CA 1.979 64.326 62.300 0.077 0.000 1.015 1195 V CB -0.571 31.270 31.823 0.030 0.000 0.642 1195 V HN 0.374 nan 8.190 nan 0.000 0.446 1196 E N 0.324 120.555 120.200 0.052 0.000 2.058 1196 E HA -0.179 4.161 4.350 -0.018 0.000 0.194 1196 E C 2.318 179.073 176.600 0.258 0.000 0.997 1196 E CA 1.358 57.816 56.400 0.096 0.000 0.801 1196 E CB -0.548 29.058 29.700 -0.156 0.000 0.746 1196 E HN 0.648 nan 8.360 nan 0.000 0.450 1197 G N 1.017 109.915 108.800 0.164 0.000 2.418 1197 G HA2 -0.242 3.708 3.960 -0.018 0.000 0.217 1197 G HA3 -0.242 3.708 3.960 -0.018 0.000 0.217 1197 G C 1.684 176.684 174.900 0.166 0.000 1.158 1197 G CA 0.868 46.065 45.100 0.161 0.000 0.771 1197 G HN 0.351 nan 8.290 nan 0.000 0.545 1198 A N 0.398 123.324 122.820 0.177 0.000 1.877 1198 A HA 0.077 4.386 4.320 -0.018 0.000 0.216 1198 A C 2.184 179.865 177.584 0.163 0.000 1.186 1198 A CA 1.555 53.682 52.037 0.150 0.000 0.620 1198 A CB -0.592 18.486 19.000 0.130 0.000 0.822 1198 A HN 0.403 nan 8.150 nan 0.000 0.443 1199 F N 0.741 120.755 119.950 0.107 0.000 2.126 1199 F HA -0.172 4.343 4.527 -0.020 0.000 0.299 1199 F C 2.195 178.034 175.800 0.066 0.000 1.096 1199 F CA 2.051 60.118 58.000 0.112 0.000 1.255 1199 F CB -0.194 38.926 39.000 0.200 0.000 0.997 1199 F HN 0.031 nan 8.300 nan 0.000 0.479 1200 V N 0.359 120.417 119.914 0.240 0.000 2.427 1200 V HA -0.303 3.807 4.120 -0.018 0.000 0.248 1200 V C 2.304 178.342 176.094 -0.093 0.000 1.051 1200 V CA 2.111 64.445 62.300 0.057 0.000 1.048 1200 V CB -0.780 31.126 31.823 0.138 0.000 0.666 1200 V HN 0.407 nan 8.190 nan 0.000 0.456 1201 Q N -0.109 119.650 119.800 -0.069 0.000 2.170 1201 Q HA -0.148 4.182 4.340 -0.018 0.000 0.203 1201 Q C 2.344 178.216 176.000 -0.214 0.000 0.976 1201 Q CA 1.623 57.351 55.803 -0.125 0.000 0.858 1201 Q CB -0.409 28.287 28.738 -0.071 0.000 0.907 1201 Q HN 0.742 nan 8.270 nan 0.000 0.433 1202 G N 0.919 109.590 108.800 -0.215 0.000 2.394 1202 G HA2 -0.230 3.719 3.960 -0.018 0.000 0.215 1202 G HA3 -0.230 3.719 3.960 -0.018 0.000 0.215 1202 G C 1.364 176.123 174.900 -0.235 0.000 1.165 1202 G CA 0.415 45.366 45.100 -0.247 0.000 0.784 1202 G HN 0.261 nan 8.290 nan 0.000 0.535 1203 L N 1.909 122.924 121.223 -0.346 0.000 2.013 1203 L HA 0.015 4.344 4.340 -0.018 0.000 0.212 1203 L C 2.712 179.472 176.870 -0.183 0.000 1.073 1203 L CA 2.539 57.218 54.840 -0.268 0.000 0.753 1203 L CB -1.103 40.771 42.059 -0.308 0.000 0.890 1203 L HN 0.176 nan 8.230 nan 0.000 0.432 1204 G N -0.573 108.094 108.800 -0.223 0.000 2.433 1204 G HA2 -0.298 3.652 3.960 -0.018 0.000 0.216 1204 G HA3 -0.298 3.652 3.960 -0.018 0.000 0.216 1204 G C 1.585 176.306 174.900 -0.299 0.000 1.186 1204 G CA 0.928 45.886 45.100 -0.237 0.000 0.779 1204 G HN 0.438 nan 8.290 nan 0.000 0.543 1205 L N -0.103 120.858 121.223 -0.436 0.000 2.013 1205 L HA 0.028 4.357 4.340 -0.018 0.000 0.212 1205 L C 2.455 178.933 176.870 -0.652 0.000 1.073 1205 L CA 1.763 56.206 54.840 -0.663 0.000 0.753 1205 L CB -0.678 40.757 42.059 -1.041 0.000 0.890 1205 L HN 0.271 nan 8.230 nan 0.000 0.432 1206 F N -1.513 118.275 119.950 -0.270 0.000 2.664 1206 F HA 0.030 4.547 4.527 -0.016 0.000 0.296 1206 F C 1.917 177.678 175.800 -0.064 0.000 1.125 1206 F CA 0.789 58.644 58.000 -0.242 0.000 1.444 1206 F CB -0.199 38.647 39.000 -0.256 0.000 1.114 1206 F HN 0.318 nan 8.300 nan 0.000 0.576 1207 T N -5.032 109.540 114.554 0.029 0.000 3.028 1207 T HA 0.203 4.543 4.350 -0.018 0.000 0.262 1207 T C 0.976 175.669 174.700 -0.013 0.000 0.916 1207 T CA 0.107 62.222 62.100 0.026 0.000 0.873 1207 T CB 0.127 69.011 68.868 0.026 0.000 1.232 1207 T HN 0.011 nan 8.240 nan 0.000 0.529 1208 L N 0.554 121.720 121.223 -0.094 0.000 2.713 1208 L HA 0.563 4.892 4.340 -0.018 0.000 0.223 1208 L C 0.257 176.982 176.870 -0.242 0.000 1.040 1208 L CA 0.496 55.249 54.840 -0.144 0.000 0.894 1208 L CB 0.135 42.089 42.059 -0.175 0.000 1.361 1208 L HN 0.270 nan 8.230 nan 0.000 0.490 1209 E N 1.256 121.276 120.200 -0.300 0.000 2.194 1209 E HA 0.303 4.642 4.350 -0.018 0.000 0.284 1209 E C -0.380 176.089 176.600 -0.218 0.000 1.035 1209 E CA 0.004 56.123 56.400 -0.467 0.000 0.836 1209 E CB 1.134 30.575 29.700 -0.432 0.000 1.070 1209 E HN 0.062 nan 8.360 nan 0.000 0.401 1210 E N 4.258 124.364 120.200 -0.156 0.000 2.281 1210 E HA 0.227 4.567 4.350 -0.018 0.000 0.266 1210 E C -1.345 175.402 176.600 0.246 0.000 0.893 1210 E CA -0.485 55.957 56.400 0.070 0.000 0.798 1210 E CB 1.022 30.737 29.700 0.025 0.000 1.245 1210 E HN 0.406 nan 8.360 nan 0.000 0.410 1211 L N 3.721 125.117 121.223 0.289 0.000 2.312 1211 L HA 0.426 4.755 4.340 -0.018 0.000 0.281 1211 L C -0.272 176.706 176.870 0.179 0.000 1.070 1211 L CA -0.631 54.328 54.840 0.199 0.000 0.805 1211 L CB 0.910 43.049 42.059 0.133 0.000 1.174 1211 L HN 0.528 nan 8.230 nan 0.000 0.434 1212 H N 2.234 121.237 119.070 -0.111 0.000 2.667 1212 H HA 0.518 5.064 4.556 -0.017 0.000 0.353 1212 H C -1.655 173.543 175.328 -0.216 0.000 1.072 1212 H CA -0.598 55.450 56.048 0.000 0.000 1.214 1212 H CB 1.107 30.939 29.762 0.118 0.000 1.600 1212 H HN 0.293 nan 8.280 nan 0.000 0.527 1213 Y N 1.698 121.822 120.300 -0.293 0.000 2.485 1213 Y HA 0.336 4.875 4.550 -0.018 0.000 0.345 1213 Y C 0.614 176.204 175.900 -0.516 0.000 0.998 1213 Y CA -0.735 57.143 58.100 -0.371 0.000 1.059 1213 Y CB 1.830 40.190 38.460 -0.167 0.000 1.234 1213 Y HN 0.744 nan 8.280 nan 0.000 0.461 1214 S N 1.653 117.074 115.700 -0.465 0.000 2.589 1214 S HA 0.147 4.606 4.470 -0.018 0.000 0.265 1214 S C -1.988 172.583 174.600 -0.048 0.000 1.342 1214 S CA -0.882 57.200 58.200 -0.197 0.000 1.005 1214 S CB 0.929 63.999 63.200 -0.217 0.000 0.909 1214 S HN 0.492 nan 8.310 nan 0.000 0.555 1215 P HA -0.010 nan 4.420 nan 0.000 0.221 1215 P C 0.489 177.781 177.300 -0.013 0.000 1.145 1215 P CA 1.009 64.113 63.100 0.006 0.000 0.795 1215 P CB -0.071 31.642 31.700 0.022 0.000 0.775 1216 E N -1.277 118.911 120.200 -0.020 0.000 2.494 1216 E HA 0.240 4.579 4.350 -0.018 0.000 0.193 1216 E C 1.361 177.941 176.600 -0.034 0.000 1.074 1216 E CA 0.591 56.974 56.400 -0.027 0.000 0.867 1216 E CB -0.971 28.713 29.700 -0.027 0.000 0.924 1216 E HN 0.157 nan 8.360 nan 0.000 0.502 1217 G N 0.470 109.250 108.800 -0.033 0.000 2.137 1217 G HA2 -0.286 3.664 3.960 -0.018 0.000 0.237 1217 G HA3 -0.286 3.664 3.960 -0.018 0.000 0.237 1217 G C 0.276 175.206 174.900 0.050 0.000 1.002 1217 G CA 0.420 45.508 45.100 -0.020 0.000 0.702 1217 G HN 0.287 nan 8.290 nan 0.000 0.515 1218 S N -0.366 115.326 115.700 -0.014 0.000 2.457 1218 S HA 0.622 5.081 4.470 -0.018 0.000 0.289 1218 S C 0.380 174.881 174.600 -0.165 0.000 1.163 1218 S CA -0.684 57.484 58.200 -0.053 0.000 1.078 1218 S CB 0.868 64.003 63.200 -0.108 0.000 0.987 1218 S HN 1.048 nan 8.310 nan 0.000 0.482 1219 L N 6.486 127.649 121.223 -0.100 0.000 2.513 1219 L HA 0.230 4.560 4.340 -0.018 0.000 0.272 1219 L C 1.139 177.845 176.870 -0.272 0.000 1.187 1219 L CA 0.765 55.398 54.840 -0.346 0.000 0.895 1219 L CB 0.255 42.164 42.059 -0.249 0.000 1.147 1219 L HN 0.796 nan 8.230 nan 0.000 0.483 1220 H N 1.810 120.763 119.070 -0.196 0.000 2.465 1220 H HA 0.087 4.633 4.556 -0.018 0.000 0.289 1220 H C 0.262 175.581 175.328 -0.014 0.000 1.022 1220 H CA 1.097 57.107 56.048 -0.064 0.000 1.340 1220 H CB 0.003 29.761 29.762 -0.007 0.000 1.437 1220 H HN 0.671 nan 8.280 nan 0.000 0.539 1221 T N -0.015 114.588 114.554 0.082 0.000 2.891 1221 T HA 0.454 4.793 4.350 -0.018 0.000 0.315 1221 T C 0.705 175.435 174.700 0.050 0.000 1.054 1221 T CA -0.720 61.450 62.100 0.117 0.000 0.958 1221 T CB 0.734 69.716 68.868 0.190 0.000 1.008 1221 T HN 0.184 nan 8.240 nan 0.000 0.521 1222 R N 1.891 122.436 120.500 0.076 0.000 2.629 1222 R HA 0.478 4.807 4.340 -0.018 0.000 0.408 1222 R C 0.589 176.941 176.300 0.086 0.000 1.057 1222 R CA -0.604 55.523 56.100 0.044 0.000 1.119 1222 R CB 1.235 31.558 30.300 0.037 0.000 1.403 1222 R HN 0.817 nan 8.270 nan 0.000 0.576 1223 G N 0.424 109.325 108.800 0.168 0.000 2.451 1223 G HA2 0.158 4.107 3.960 -0.018 0.000 0.292 1223 G HA3 0.158 4.107 3.960 -0.018 0.000 0.292 1223 G C -2.634 172.465 174.900 0.330 0.000 1.427 1223 G CA -0.790 44.450 45.100 0.233 0.000 0.792 1223 G HN -0.305 nan 8.290 nan 0.000 0.498 1224 P HA -0.084 nan 4.420 nan 0.000 0.222 1224 P C 1.913 179.282 177.300 0.116 0.000 1.147 1224 P CA 1.910 65.149 63.100 0.232 0.000 0.790 1224 P CB 0.115 31.958 31.700 0.239 0.000 0.780 1225 S N -0.697 115.073 115.700 0.117 0.000 2.428 1225 S HA -0.076 4.383 4.470 -0.018 0.000 0.230 1225 S C 1.686 176.324 174.600 0.063 0.000 1.014 1225 S CA 1.701 59.943 58.200 0.070 0.000 0.957 1225 S CB -1.607 61.631 63.200 0.064 0.000 0.784 1225 S HN 0.331 nan 8.310 nan 0.000 0.499 1226 T N -3.596 111.022 114.554 0.106 0.000 3.004 1226 T HA 0.311 4.651 4.350 -0.018 0.000 0.266 1226 T C -0.318 174.475 174.700 0.155 0.000 0.986 1226 T CA -0.460 61.703 62.100 0.106 0.000 0.902 1226 T CB -0.257 68.684 68.868 0.122 0.000 1.118 1226 T HN 0.386 nan 8.240 nan 0.000 0.522 1227 Y N 2.202 122.516 120.300 0.023 0.000 2.332 1227 Y HA 0.572 5.112 4.550 -0.016 0.000 0.326 1227 Y C -1.318 174.523 175.900 -0.099 0.000 0.978 1227 Y CA -1.378 56.719 58.100 -0.004 0.000 1.205 1227 Y CB 1.206 39.709 38.460 0.071 0.000 1.131 1227 Y HN -0.209 nan 8.280 nan 0.000 0.462 1228 K N 8.453 128.543 120.400 -0.517 0.000 2.292 1228 K HA 0.336 4.646 4.320 -0.018 0.000 0.270 1228 K C -0.290 175.990 176.600 -0.534 0.000 1.062 1228 K CA -0.413 55.631 56.287 -0.405 0.000 0.916 1228 K CB 0.627 32.970 32.500 -0.262 0.000 1.166 1228 K HN 0.847 nan 8.250 nan 0.000 0.458 1229 I N -0.487 119.786 120.570 -0.496 0.000 2.834 1229 I HA 0.444 4.603 4.170 -0.018 0.000 0.305 1229 I C -2.049 173.900 176.117 -0.279 0.000 1.008 1229 I CA -2.500 58.557 61.300 -0.406 0.000 1.273 1229 I CB 0.355 38.095 38.000 -0.434 0.000 1.432 1229 I HN 0.199 nan 8.210 nan 0.000 0.557 1230 P HA 0.099 nan 4.420 nan 0.000 0.263 1230 P C -0.808 176.407 177.300 -0.143 0.000 1.175 1230 P CA 0.230 63.234 63.100 -0.160 0.000 0.761 1230 P CB 0.540 32.158 31.700 -0.137 0.000 0.794 1231 A N 2.288 125.048 122.820 -0.099 0.000 2.309 1231 A HA 0.504 4.813 4.320 -0.018 0.000 0.317 1231 A C 0.724 178.305 177.584 -0.006 0.000 1.134 1231 A CA -0.551 51.465 52.037 -0.035 0.000 0.866 1231 A CB 0.063 19.068 19.000 0.008 0.000 1.329 1231 A HN 0.424 nan 8.150 nan 0.000 0.477 1232 F N 0.665 120.605 119.950 -0.016 0.000 2.087 1232 F HA -0.158 4.358 4.527 -0.018 0.000 0.299 1232 F C 2.562 178.357 175.800 -0.009 0.000 1.100 1232 F CA 2.624 60.625 58.000 0.002 0.000 1.226 1232 F CB -0.395 38.608 39.000 0.005 0.000 0.983 1232 F HN 0.655 nan 8.300 nan 0.000 0.479 1233 G N -1.768 107.136 108.800 0.172 0.000 2.625 1233 G HA2 -0.133 3.817 3.960 -0.018 0.000 0.214 1233 G HA3 -0.133 3.817 3.960 -0.018 0.000 0.214 1233 G C 1.576 176.474 174.900 -0.005 0.000 1.132 1233 G CA 0.922 46.060 45.100 0.064 0.000 0.782 1233 G HN 0.363 nan 8.290 nan 0.000 0.538 1234 S N 0.004 115.690 115.700 -0.024 0.000 2.470 1234 S HA 0.150 4.609 4.470 -0.018 0.000 0.225 1234 S C 1.198 175.749 174.600 -0.082 0.000 1.006 1234 S CA -0.130 58.024 58.200 -0.077 0.000 0.934 1234 S CB -0.101 63.044 63.200 -0.091 0.000 0.778 1234 S HN 0.616 nan 8.310 nan 0.000 0.517 1235 I N 0.230 120.766 120.570 -0.056 0.000 2.823 1235 I HA 0.397 4.557 4.170 -0.018 0.000 0.290 1235 I C -2.924 173.120 176.117 -0.122 0.000 1.091 1235 I CA -2.627 58.612 61.300 -0.103 0.000 1.365 1235 I CB -0.065 37.923 38.000 -0.019 0.000 1.427 1235 I HN -0.208 nan 8.210 nan 0.000 0.583 1236 P HA 0.054 nan 4.420 nan 0.000 0.266 1236 P C 0.435 177.705 177.300 -0.051 0.000 1.195 1236 P CA 0.048 63.049 63.100 -0.165 0.000 0.768 1236 P CB 0.588 32.118 31.700 -0.282 0.000 0.838 1237 T N 0.612 115.152 114.554 -0.023 0.000 2.720 1237 T HA -0.112 4.228 4.350 -0.018 0.000 0.268 1237 T C 0.629 175.355 174.700 0.043 0.000 1.037 1237 T CA 1.430 63.537 62.100 0.012 0.000 1.144 1237 T CB -0.182 68.683 68.868 -0.005 0.000 0.864 1237 T HN 0.439 nan 8.240 nan 0.000 0.444 1238 E N 0.398 120.620 120.200 0.036 0.000 2.145 1238 E HA 0.378 4.718 4.350 -0.018 0.000 0.270 1238 E C -1.596 175.080 176.600 0.127 0.000 0.906 1238 E CA -0.336 56.103 56.400 0.064 0.000 0.761 1238 E CB 1.339 31.055 29.700 0.027 0.000 1.116 1238 E HN 0.393 nan 8.360 nan 0.000 0.408 1239 F N 4.478 124.395 119.950 -0.056 0.000 2.610 1239 F HA 0.389 4.906 4.527 -0.017 0.000 0.355 1239 F C -0.460 175.280 175.800 -0.100 0.000 1.140 1239 F CA -0.828 57.116 58.000 -0.093 0.000 1.037 1239 F CB 0.737 39.694 39.000 -0.071 0.000 1.287 1239 F HN 0.197 nan 8.300 nan 0.000 0.457 1240 R N 5.343 125.910 120.500 0.112 0.000 2.437 1240 R HA 0.643 4.973 4.340 -0.018 0.000 0.310 1240 R C -1.446 174.791 176.300 -0.104 0.000 0.955 1240 R CA -0.984 55.088 56.100 -0.047 0.000 0.851 1240 R CB 2.712 32.998 30.300 -0.024 0.000 1.161 1240 R HN 0.291 nan 8.270 nan 0.000 0.446 1241 V N 1.916 121.729 119.914 -0.168 0.000 2.540 1241 V HA 0.400 4.509 4.120 -0.018 0.000 0.302 1241 V C -0.328 175.710 176.094 -0.093 0.000 1.035 1241 V CA -0.642 61.570 62.300 -0.146 0.000 0.873 1241 V CB 2.092 33.791 31.823 -0.207 0.000 0.992 1241 V HN 0.772 nan 8.190 nan 0.000 0.428 1242 S N 4.918 120.583 115.700 -0.059 0.000 2.513 1242 S HA 0.722 5.182 4.470 -0.018 0.000 0.299 1242 S C -0.649 173.938 174.600 -0.021 0.000 1.087 1242 S CA -0.608 57.569 58.200 -0.038 0.000 1.012 1242 S CB 1.549 64.732 63.200 -0.029 0.000 1.044 1242 S HN 0.522 nan 8.310 nan 0.000 0.485 1243 L N 2.777 123.991 121.223 -0.015 0.000 2.289 1243 L HA 0.455 4.785 4.340 -0.018 0.000 0.285 1243 L C -0.234 176.639 176.870 0.005 0.000 1.049 1243 L CA -0.952 53.888 54.840 -0.000 0.000 0.804 1243 L CB 0.670 42.728 42.059 -0.002 0.000 1.195 1243 L HN 0.461 nan 8.230 nan 0.000 0.428 1244 L N 4.209 125.442 121.223 0.017 0.000 2.490 1244 L HA 0.098 4.428 4.340 -0.018 0.000 0.274 1244 L C 0.439 177.316 176.870 0.012 0.000 1.201 1244 L CA 0.684 55.535 54.840 0.018 0.000 0.869 1244 L CB 0.132 42.209 42.059 0.030 0.000 1.123 1244 L HN 0.502 nan 8.230 nan 0.000 0.484 1245 R N 3.830 124.335 120.500 0.008 0.000 2.528 1245 R HA 0.225 4.555 4.340 -0.018 0.000 0.271 1245 R C -0.362 175.942 176.300 0.006 0.000 1.056 1245 R CA -0.591 55.512 56.100 0.004 0.000 1.117 1245 R CB 0.439 30.740 30.300 0.002 0.000 1.085 1245 R HN 0.734 nan 8.270 nan 0.000 0.530 1246 D N 0.639 121.041 120.400 0.003 0.000 2.737 1246 D HA -0.143 4.487 4.640 -0.018 0.000 0.238 1246 D C -0.364 175.938 176.300 0.004 0.000 1.157 1246 D CA 0.989 54.991 54.000 0.002 0.000 0.694 1246 D CB -1.049 39.753 40.800 0.004 0.000 1.021 1246 D HN 0.714 nan 8.370 nan 0.000 0.420 1247 C N -1.372 117.930 119.300 0.003 0.000 3.471 1247 C HA 0.375 4.824 4.460 -0.018 0.000 0.191 1247 C C -2.260 172.725 174.990 -0.008 0.000 1.480 1247 C CA -1.775 57.246 59.018 0.005 0.000 1.281 1247 C CB 0.442 28.192 27.740 0.017 0.000 1.898 1247 C HN 0.078 nan 8.230 nan 0.000 0.533 1248 P HA 0.092 nan 4.420 nan 0.000 0.265 1248 P C -0.452 176.812 177.300 -0.061 0.000 1.193 1248 P CA 0.686 63.766 63.100 -0.034 0.000 0.765 1248 P CB 0.746 32.430 31.700 -0.025 0.000 0.823 1249 N N 2.383 121.018 118.700 -0.108 0.000 2.439 1249 N HA 0.072 4.801 4.740 -0.018 0.000 0.249 1249 N C 0.828 176.228 175.510 -0.183 0.000 1.003 1249 N CA -0.325 52.610 53.050 -0.191 0.000 0.942 1249 N CB 0.502 38.780 38.487 -0.348 0.000 1.115 1249 N HN 0.147 nan 8.380 nan 0.000 0.505 1250 K N 2.115 122.428 120.400 -0.146 0.000 2.362 1250 K HA -0.011 4.298 4.320 -0.018 0.000 0.200 1250 K C 0.714 177.233 176.600 -0.135 0.000 1.046 1250 K CA 0.786 57.005 56.287 -0.113 0.000 0.952 1250 K CB 0.294 32.751 32.500 -0.072 0.000 0.753 1250 K HN 0.468 nan 8.250 nan 0.000 0.466 1251 K N 0.173 120.442 120.400 -0.219 0.000 2.426 1251 K HA 0.149 4.459 4.320 -0.018 0.000 0.193 1251 K C 0.503 177.063 176.600 -0.067 0.000 1.028 1251 K CA 0.160 56.327 56.287 -0.199 0.000 1.047 1251 K CB 0.791 33.019 32.500 -0.452 0.000 0.821 1251 K HN 0.075 nan 8.250 nan 0.000 0.513 1252 A N 0.928 123.644 122.820 -0.173 0.000 2.532 1252 A HA 0.467 4.777 4.320 -0.018 0.000 0.290 1252 A C -0.803 176.661 177.584 -0.200 0.000 1.143 1252 A CA -0.849 51.115 52.037 -0.122 0.000 0.728 1252 A CB 0.848 19.791 19.000 -0.094 0.000 1.317 1252 A HN 0.122 nan 8.150 nan 0.000 0.414 1253 I N 0.878 121.297 120.570 -0.251 0.000 2.828 1253 I HA 0.059 4.218 4.170 -0.018 0.000 0.292 1253 I C 0.007 175.981 176.117 -0.239 0.000 1.206 1253 I CA 1.319 62.388 61.300 -0.385 0.000 1.420 1253 I CB -1.087 36.686 38.000 -0.378 0.000 1.368 1253 I HN 0.608 nan 8.210 nan 0.000 0.556 1254 Y N 5.741 125.929 120.300 -0.187 0.000 3.396 1254 Y HA -0.283 4.256 4.550 -0.018 0.000 0.214 1254 Y C 1.412 177.247 175.900 -0.108 0.000 1.203 1254 Y CA 0.511 58.532 58.100 -0.132 0.000 1.401 1254 Y CB -1.831 36.571 38.460 -0.095 0.000 1.409 1254 Y HN 1.014 nan 8.280 nan 0.000 0.594 1255 A N -1.309 121.496 122.820 -0.026 0.000 2.899 1255 A HA -0.257 4.052 4.320 -0.018 0.000 0.257 1255 A C 0.980 178.521 177.584 -0.072 0.000 1.335 1255 A CA 1.017 53.018 52.037 -0.060 0.000 0.924 1255 A CB -1.979 17.005 19.000 -0.027 0.000 1.105 1255 A HN 1.307 nan 8.150 nan 0.000 0.765 1256 S N -0.886 114.777 115.700 -0.061 0.000 2.655 1256 S HA 0.754 5.213 4.470 -0.018 0.000 0.265 1256 S C -0.106 174.435 174.600 -0.098 0.000 1.240 1256 S CA -0.080 58.092 58.200 -0.047 0.000 0.986 1256 S CB 1.437 64.635 63.200 -0.003 0.000 0.985 1256 S HN 0.555 nan 8.310 nan 0.000 0.562 1257 K N -0.171 120.212 120.400 -0.027 0.000 2.435 1257 K HA 0.649 4.958 4.320 -0.018 0.000 0.251 1257 K C -0.621 176.066 176.600 0.144 0.000 0.954 1257 K CA -0.918 55.406 56.287 0.061 0.000 0.820 1257 K CB 2.165 34.712 32.500 0.077 0.000 1.292 1257 K HN 0.830 nan 8.250 nan 0.000 0.436 1258 A N 0.941 123.909 122.820 0.246 0.000 2.531 1258 A HA 0.116 4.426 4.320 -0.018 0.000 0.236 1258 A C 0.604 178.226 177.584 0.063 0.000 1.062 1258 A CA 0.042 52.146 52.037 0.112 0.000 0.760 1258 A CB 0.431 19.466 19.000 0.058 0.000 0.995 1258 A HN 0.534 nan 8.150 nan 0.000 0.501 1259 V N 2.449 122.376 119.914 0.021 0.000 3.426 1259 V HA 0.222 4.332 4.120 -0.018 0.000 0.279 1259 V C 1.722 177.803 176.094 -0.022 0.000 1.544 1259 V CA 1.380 63.684 62.300 0.006 0.000 1.017 1259 V CB -0.145 31.693 31.823 0.026 0.000 0.821 1259 V HN 1.114 nan 8.190 nan 0.000 0.432 1260 G N 0.225 109.007 108.800 -0.030 0.000 2.480 1260 G HA2 -0.223 3.726 3.960 -0.018 0.000 0.216 1260 G HA3 -0.223 3.726 3.960 -0.018 0.000 0.216 1260 G C 1.240 176.109 174.900 -0.051 0.000 1.200 1260 G CA 1.472 46.563 45.100 -0.014 0.000 0.782 1260 G HN 0.587 nan 8.290 nan 0.000 0.554 1261 E N 0.267 120.350 120.200 -0.194 0.000 2.201 1261 E HA 0.020 4.360 4.350 -0.018 0.000 0.193 1261 E C -0.169 176.077 176.600 -0.590 0.000 0.957 1261 E CA 0.003 56.188 56.400 -0.358 0.000 0.858 1261 E CB 0.036 29.417 29.700 -0.532 0.000 0.816 1261 E HN 0.271 nan 8.360 nan 0.000 0.475 1262 P HA -0.162 nan 4.420 nan 0.000 0.216 1262 P C -1.707 175.528 177.300 -0.108 0.000 1.154 1262 P CA 1.869 64.670 63.100 -0.498 0.000 0.865 1262 P CB -0.814 30.773 31.700 -0.188 0.000 0.789 1263 P HA -0.016 nan 4.420 nan 0.000 0.233 1263 P C 1.528 178.927 177.300 0.166 0.000 1.167 1263 P CA 0.526 63.698 63.100 0.120 0.000 0.770 1263 P CB -0.435 31.346 31.700 0.135 0.000 0.837 1264 L N -1.247 120.035 121.223 0.098 0.000 2.046 1264 L HA -0.148 4.181 4.340 -0.018 0.000 0.208 1264 L C 2.180 179.156 176.870 0.176 0.000 1.077 1264 L CA 1.570 56.473 54.840 0.104 0.000 0.747 1264 L CB -0.691 41.403 42.059 0.059 0.000 0.896 1264 L HN -0.116 nan 8.230 nan 0.000 0.432 1265 F N 0.187 120.211 119.950 0.123 0.000 2.269 1265 F HA -0.180 4.337 4.527 -0.017 0.000 0.301 1265 F C 1.868 177.772 175.800 0.173 0.000 1.082 1265 F CA 1.292 59.419 58.000 0.211 0.000 1.360 1265 F CB -0.265 38.847 39.000 0.187 0.000 1.041 1265 F HN 0.013 nan 8.300 nan 0.000 0.512 1266 L N -0.084 121.164 121.223 0.041 0.000 2.261 1266 L HA -0.151 4.179 4.340 -0.018 0.000 0.216 1266 L C 2.725 179.554 176.870 -0.069 0.000 1.114 1266 L CA 0.955 55.815 54.840 0.033 0.000 0.777 1266 L CB -1.575 40.673 42.059 0.315 0.000 0.910 1266 L HN 0.332 nan 8.230 nan 0.000 0.440 1267 G N 0.083 108.654 108.800 -0.381 0.000 2.485 1267 G HA2 -0.291 3.658 3.960 -0.018 0.000 0.221 1267 G HA3 -0.291 3.658 3.960 -0.018 0.000 0.221 1267 G C 1.730 176.398 174.900 -0.386 0.000 1.115 1267 G CA 0.813 45.435 45.100 -0.797 0.000 0.751 1267 G HN 0.499 nan 8.290 nan 0.000 0.567 1268 A N 1.269 123.750 122.820 -0.565 0.000 2.070 1268 A HA 0.012 4.321 4.320 -0.018 0.000 0.220 1268 A C 2.675 180.126 177.584 -0.223 0.000 1.159 1268 A CA 2.123 53.669 52.037 -0.818 0.000 0.656 1268 A CB -0.590 17.595 19.000 -1.357 0.000 0.800 1268 A HN 0.747 nan 8.150 nan 0.000 0.453 1269 S N -0.134 115.498 115.700 -0.113 0.000 2.387 1269 S HA -0.172 4.288 4.470 -0.018 0.000 0.230 1269 S C 1.696 176.344 174.600 0.080 0.000 1.035 1269 S CA 1.575 59.821 58.200 0.077 0.000 1.014 1269 S CB -1.023 62.256 63.200 0.132 0.000 0.836 1269 S HN 0.295 nan 8.310 nan 0.000 0.466 1270 V N 1.093 121.018 119.914 0.018 0.000 2.358 1270 V HA -0.085 4.025 4.120 -0.018 0.000 0.246 1270 V C 2.090 178.140 176.094 -0.073 0.000 1.047 1270 V CA 1.993 64.287 62.300 -0.009 0.000 1.035 1270 V CB -1.089 30.720 31.823 -0.024 0.000 0.658 1270 V HN 0.556 nan 8.190 nan 0.000 0.452 1271 F N 0.519 120.310 119.950 -0.264 0.000 2.095 1271 F HA -0.218 4.301 4.527 -0.014 0.000 0.298 1271 F C 2.029 177.581 175.800 -0.414 0.000 1.104 1271 F CA 1.919 59.685 58.000 -0.389 0.000 1.232 1271 F CB -0.298 38.356 39.000 -0.577 0.000 0.987 1271 F HN 0.132 nan 8.300 nan 0.000 0.475 1272 F N 0.035 120.076 119.950 0.152 0.000 2.325 1272 F HA 0.025 4.540 4.527 -0.021 0.000 0.299 1272 F C 2.453 178.238 175.800 -0.025 0.000 1.090 1272 F CA 0.692 58.737 58.000 0.075 0.000 1.392 1272 F CB -0.968 38.075 39.000 0.072 0.000 1.053 1272 F HN 0.061 nan 8.300 nan 0.000 0.521 1273 A N 0.565 123.433 122.820 0.079 0.000 1.902 1273 A HA -0.135 4.175 4.320 -0.018 0.000 0.217 1273 A C 2.186 179.730 177.584 -0.068 0.000 1.181 1273 A CA 1.428 53.474 52.037 0.015 0.000 0.623 1273 A CB -0.981 18.023 19.000 0.007 0.000 0.818 1273 A HN 0.378 nan 8.150 nan 0.000 0.443 1274 I N -0.618 119.842 120.570 -0.184 0.000 2.226 1274 I HA -0.266 3.893 4.170 -0.018 0.000 0.245 1274 I C 2.556 178.556 176.117 -0.194 0.000 1.100 1274 I CA 1.771 62.916 61.300 -0.258 0.000 1.374 1274 I CB -0.204 37.525 38.000 -0.451 0.000 1.057 1274 I HN 0.335 nan 8.210 nan 0.000 0.413 1275 K N 0.584 120.842 120.400 -0.237 0.000 2.097 1275 K HA -0.252 4.057 4.320 -0.018 0.000 0.206 1275 K C 1.743 178.401 176.600 0.096 0.000 1.049 1275 K CA 1.850 58.096 56.287 -0.067 0.000 0.933 1275 K CB -0.076 32.364 32.500 -0.101 0.000 0.717 1275 K HN 0.181 nan 8.250 nan 0.000 0.442 1276 D N 0.101 120.539 120.400 0.063 0.000 2.084 1276 D HA -0.131 4.498 4.640 -0.018 0.000 0.194 1276 D C 1.668 178.005 176.300 0.061 0.000 0.990 1276 D CA 1.594 55.640 54.000 0.078 0.000 0.826 1276 D CB -0.060 40.776 40.800 0.060 0.000 0.971 1276 D HN 0.280 nan 8.370 nan 0.000 0.453 1277 A N 0.080 122.914 122.820 0.023 0.000 1.908 1277 A HA -0.140 4.169 4.320 -0.018 0.000 0.218 1277 A C 2.462 180.064 177.584 0.029 0.000 1.181 1277 A CA 1.284 53.332 52.037 0.019 0.000 0.627 1277 A CB -0.822 18.174 19.000 -0.008 0.000 0.818 1277 A HN 0.379 nan 8.150 nan 0.000 0.445 1278 I N -1.302 119.289 120.570 0.033 0.000 2.179 1278 I HA -0.267 3.892 4.170 -0.018 0.000 0.242 1278 I C 2.693 178.810 176.117 -0.001 0.000 1.088 1278 I CA 1.663 62.967 61.300 0.007 0.000 1.357 1278 I CB -0.330 37.685 38.000 0.026 0.000 1.051 1278 I HN 0.321 nan 8.210 nan 0.000 0.409 1279 R N 0.862 121.448 120.500 0.144 0.000 2.113 1279 R HA -0.249 4.080 4.340 -0.018 0.000 0.244 1279 R C 2.368 178.701 176.300 0.055 0.000 1.142 1279 R CA 1.995 58.191 56.100 0.160 0.000 0.953 1279 R CB -0.368 30.060 30.300 0.215 0.000 0.860 1279 R HN 0.423 nan 8.270 nan 0.000 0.438 1280 A N 0.190 123.034 122.820 0.039 0.000 1.902 1280 A HA -0.112 4.198 4.320 -0.018 0.000 0.217 1280 A C 2.312 179.875 177.584 -0.035 0.000 1.181 1280 A CA 1.692 53.733 52.037 0.006 0.000 0.623 1280 A CB -0.788 18.225 19.000 0.021 0.000 0.818 1280 A HN 0.528 nan 8.150 nan 0.000 0.443 1281 A N -0.147 122.659 122.820 -0.023 0.000 1.902 1281 A HA -0.173 4.137 4.320 -0.018 0.000 0.217 1281 A C 2.248 179.798 177.584 -0.056 0.000 1.181 1281 A CA 1.583 53.601 52.037 -0.031 0.000 0.623 1281 A CB -0.443 18.570 19.000 0.023 0.000 0.818 1281 A HN 0.561 nan 8.150 nan 0.000 0.443 1282 R N -0.618 119.839 120.500 -0.071 0.000 2.092 1282 R HA -0.002 4.327 4.340 -0.018 0.000 0.231 1282 R C 2.434 178.701 176.300 -0.055 0.000 1.119 1282 R CA 1.051 57.105 56.100 -0.078 0.000 0.970 1282 R CB -0.423 29.787 30.300 -0.151 0.000 0.864 1282 R HN 0.501 nan 8.270 nan 0.000 0.440 1283 A N 0.854 123.642 122.820 -0.052 0.000 1.972 1283 A HA -0.241 4.068 4.320 -0.018 0.000 0.219 1283 A C 2.095 179.604 177.584 -0.124 0.000 1.169 1283 A CA 1.400 53.401 52.037 -0.058 0.000 0.635 1283 A CB -0.331 18.646 19.000 -0.037 0.000 0.810 1283 A HN 0.226 nan 8.150 nan 0.000 0.446 1284 Q N -1.184 118.492 119.800 -0.208 0.000 2.016 1284 Q HA -0.152 4.178 4.340 -0.018 0.000 0.200 1284 Q C 1.668 177.383 176.000 -0.475 0.000 0.978 1284 Q CA 2.062 57.609 55.803 -0.427 0.000 0.833 1284 Q CB -0.128 28.225 28.738 -0.641 0.000 0.895 1284 Q HN 0.748 nan 8.270 nan 0.000 0.427 1285 H N -1.793 117.208 119.070 -0.115 0.000 3.205 1285 H HA 0.223 4.777 4.556 -0.004 0.000 0.252 1285 H C 1.107 176.407 175.328 -0.046 0.000 1.015 1285 H CA 0.994 56.986 56.048 -0.093 0.000 1.192 1285 H CB 0.339 30.050 29.762 -0.084 0.000 1.474 1285 H HN 0.429 nan 8.280 nan 0.000 0.484 1286 T N 0.285 114.873 114.554 0.056 0.000 3.130 1286 T HA 0.082 4.422 4.350 -0.018 0.000 0.206 1286 T C 1.060 175.768 174.700 0.012 0.000 0.785 1286 T CA -0.378 61.739 62.100 0.029 0.000 1.861 1286 T CB 0.182 69.050 68.868 0.001 0.000 2.815 1286 T HN 0.347 nan 8.240 nan 0.000 0.379 1287 N N 0.738 119.442 118.700 0.007 0.000 2.452 1287 N HA 0.192 4.921 4.740 -0.018 0.000 0.296 1287 N C 0.095 175.607 175.510 0.003 0.000 1.304 1287 N CA -0.801 52.255 53.050 0.010 0.000 0.956 1287 N CB 0.357 38.857 38.487 0.021 0.000 1.106 1287 N HN 0.569 nan 8.380 nan 0.000 0.555 1288 N N -0.964 117.741 118.700 0.009 0.000 2.187 1288 N HA -0.009 4.720 4.740 -0.018 0.000 0.212 1288 N C -0.702 174.820 175.510 0.020 0.000 1.152 1288 N CA -0.082 52.972 53.050 0.007 0.000 0.872 1288 N CB -0.073 38.417 38.487 0.004 0.000 1.025 1288 N HN 0.488 nan 8.380 nan 0.000 0.514 1289 N N 1.629 120.348 118.700 0.032 0.000 2.439 1289 N HA 0.074 4.803 4.740 -0.018 0.000 0.243 1289 N C 0.799 176.345 175.510 0.059 0.000 1.088 1289 N CA 0.137 53.215 53.050 0.046 0.000 0.940 1289 N CB 0.663 39.183 38.487 0.055 0.000 1.180 1289 N HN -0.004 nan 8.380 nan 0.000 0.505 1290 T N 1.824 116.411 114.554 0.054 0.000 2.995 1290 T HA -0.022 4.318 4.350 -0.018 0.000 0.269 1290 T C 0.977 175.725 174.700 0.081 0.000 1.091 1290 T CA 1.081 63.218 62.100 0.061 0.000 1.128 1290 T CB 0.224 69.122 68.868 0.049 0.000 0.891 1290 T HN 0.461 nan 8.240 nan 0.000 0.492 1291 K N 1.062 121.513 120.400 0.084 0.000 2.440 1291 K HA 0.198 4.508 4.320 -0.018 0.000 0.206 1291 K C 0.372 177.038 176.600 0.111 0.000 1.025 1291 K CA -0.176 56.168 56.287 0.095 0.000 1.135 1291 K CB 0.583 33.137 32.500 0.089 0.000 0.856 1291 K HN 0.427 nan 8.250 nan 0.000 0.502 1292 E N 2.030 122.305 120.200 0.125 0.000 2.376 1292 E HA 0.050 4.390 4.350 -0.018 0.000 0.266 1292 E C -0.887 175.828 176.600 0.191 0.000 1.009 1292 E CA -0.060 56.431 56.400 0.152 0.000 0.902 1292 E CB 0.552 30.348 29.700 0.160 0.000 0.972 1292 E HN 0.151 nan 8.360 nan 0.000 0.439 1293 L N 6.335 127.659 121.223 0.167 0.000 2.282 1293 L HA 0.414 4.743 4.340 -0.018 0.000 0.288 1293 L C -0.306 176.682 176.870 0.197 0.000 1.033 1293 L CA -0.959 53.957 54.840 0.127 0.000 0.807 1293 L CB 0.378 42.499 42.059 0.103 0.000 1.209 1293 L HN 0.457 nan 8.230 nan 0.000 0.423 1294 F N 0.688 120.705 119.950 0.111 0.000 2.532 1294 F HA 0.662 5.176 4.527 -0.021 0.000 0.321 1294 F C -0.137 175.748 175.800 0.141 0.000 1.089 1294 F CA -1.283 56.783 58.000 0.110 0.000 0.926 1294 F CB 1.136 40.189 39.000 0.088 0.000 1.168 1294 F HN 0.358 nan 8.300 nan 0.000 0.459 1295 R N 3.349 123.983 120.500 0.224 0.000 2.298 1295 R HA 0.561 4.891 4.340 -0.018 0.000 0.310 1295 R C -1.773 174.693 176.300 0.275 0.000 1.068 1295 R CA -0.613 55.600 56.100 0.189 0.000 0.957 1295 R CB 0.874 31.303 30.300 0.216 0.000 1.003 1295 R HN 0.880 nan 8.270 nan 0.000 0.454 1296 L N 5.029 126.396 121.223 0.239 0.000 2.372 1296 L HA 0.394 4.723 4.340 -0.018 0.000 0.273 1296 L C -1.255 175.900 176.870 0.475 0.000 0.989 1296 L CA -0.456 54.592 54.840 0.346 0.000 0.841 1296 L CB 1.521 43.748 42.059 0.279 0.000 1.225 1296 L HN 0.668 nan 8.230 nan 0.000 0.414 1297 D N 1.668 122.318 120.400 0.418 0.000 2.354 1297 D HA 0.297 4.927 4.640 -0.018 0.000 0.247 1297 D C -0.449 176.125 176.300 0.457 0.000 1.138 1297 D CA 0.022 54.288 54.000 0.443 0.000 0.958 1297 D CB 1.725 42.764 40.800 0.398 0.000 1.144 1297 D HN 0.459 nan 8.370 nan 0.000 0.458 1298 S N 0.195 116.058 115.700 0.270 0.000 2.525 1298 S HA 0.551 5.010 4.470 -0.018 0.000 0.290 1298 S C -2.641 171.992 174.600 0.054 0.000 1.152 1298 S CA -1.511 56.726 58.200 0.062 0.000 1.072 1298 S CB 1.169 64.029 63.200 -0.567 0.000 1.027 1298 S HN 0.146 nan 8.310 nan 0.000 0.500 1299 P HA 0.253 nan 4.420 nan 0.000 0.278 1299 P C -1.188 176.212 177.300 0.168 0.000 1.238 1299 P CA -0.501 62.643 63.100 0.074 0.000 0.794 1299 P CB 0.706 32.396 31.700 -0.017 0.000 0.955 1300 A N 2.289 125.235 122.820 0.210 0.000 3.037 1300 A HA 0.318 4.627 4.320 -0.018 0.000 0.272 1300 A C 0.986 178.570 177.584 -0.000 0.000 1.723 1300 A CA -0.163 51.910 52.037 0.061 0.000 1.413 1300 A CB -1.557 17.329 19.000 -0.190 0.000 1.112 1300 A HN 0.606 nan 8.150 nan 0.000 0.606 1301 T N -1.081 113.490 114.554 0.028 0.000 2.766 1301 T HA 0.290 4.629 4.350 -0.018 0.000 0.295 1301 T C -1.563 173.145 174.700 0.013 0.000 1.024 1301 T CA -1.132 60.976 62.100 0.013 0.000 1.018 1301 T CB 0.387 69.259 68.868 0.008 0.000 1.002 1301 T HN 0.179 nan 8.240 nan 0.000 0.532 1302 P HA -0.134 nan 4.420 nan 0.000 0.216 1302 P C 1.539 178.842 177.300 0.006 0.000 1.150 1302 P CA 1.253 64.362 63.100 0.015 0.000 0.843 1302 P CB 0.017 31.719 31.700 0.004 0.000 0.787 1303 E N 0.502 120.702 120.200 0.001 0.000 2.049 1303 E HA -0.264 4.076 4.350 -0.018 0.000 0.198 1303 E C 1.784 178.398 176.600 0.023 0.000 1.007 1303 E CA 1.591 57.994 56.400 0.005 0.000 0.809 1303 E CB -0.233 29.466 29.700 -0.002 0.000 0.749 1303 E HN 0.158 nan 8.360 nan 0.000 0.450 1304 K N 0.096 120.518 120.400 0.036 0.000 2.057 1304 K HA -0.135 4.174 4.320 -0.018 0.000 0.207 1304 K C 2.344 178.968 176.600 0.039 0.000 1.049 1304 K CA 1.517 57.840 56.287 0.059 0.000 0.931 1304 K CB -0.205 32.349 32.500 0.091 0.000 0.714 1304 K HN 0.277 nan 8.250 nan 0.000 0.440 1305 I N 0.643 121.218 120.570 0.009 0.000 2.142 1305 I HA -0.282 3.877 4.170 -0.018 0.000 0.240 1305 I C 2.644 178.762 176.117 0.002 0.000 1.078 1305 I CA 1.058 62.351 61.300 -0.012 0.000 1.343 1305 I CB -0.225 37.757 38.000 -0.029 0.000 1.046 1305 I HN 0.074 nan 8.210 nan 0.000 0.405 1306 R N 1.709 122.216 120.500 0.012 0.000 2.083 1306 R HA -0.182 4.147 4.340 -0.018 0.000 0.237 1306 R C 1.930 178.244 176.300 0.023 0.000 1.137 1306 R CA 1.898 58.010 56.100 0.019 0.000 0.951 1306 R CB -0.674 29.631 30.300 0.009 0.000 0.851 1306 R HN 0.302 nan 8.270 nan 0.000 0.434 1307 N N 0.128 118.842 118.700 0.023 0.000 2.289 1307 N HA -0.109 4.620 4.740 -0.018 0.000 0.184 1307 N C 1.313 176.829 175.510 0.010 0.000 1.016 1307 N CA 1.514 54.581 53.050 0.027 0.000 0.872 1307 N CB -0.362 38.148 38.487 0.038 0.000 0.973 1307 N HN 0.405 nan 8.380 nan 0.000 0.433 1308 A N -0.273 122.539 122.820 -0.013 0.000 2.016 1308 A HA -0.001 4.309 4.320 -0.018 0.000 0.217 1308 A C 1.125 178.610 177.584 -0.165 0.000 1.162 1308 A CA 0.335 52.307 52.037 -0.108 0.000 0.662 1308 A CB -0.262 18.671 19.000 -0.112 0.000 0.812 1308 A HN 0.346 nan 8.150 nan 0.000 0.450 1309 C N 1.830 121.095 119.300 -0.060 0.000 2.756 1309 C HA 0.403 4.852 4.460 -0.018 0.000 0.504 1309 C C 0.595 175.615 174.990 0.051 0.000 1.028 1309 C CA -1.030 57.986 59.018 -0.003 0.000 1.167 1309 C CB -2.166 25.615 27.740 0.069 0.000 1.444 1309 C HN 0.290 nan 8.230 nan 0.000 0.577 1310 V N 4.493 124.411 119.914 0.008 0.000 2.529 1310 V HA 0.258 4.368 4.120 -0.018 0.000 0.292 1310 V C 0.276 176.419 176.094 0.083 0.000 1.028 1310 V CA 0.886 63.208 62.300 0.036 0.000 1.074 1310 V CB 0.380 32.205 31.823 0.003 0.000 0.958 1310 V HN 0.883 nan 8.190 nan 0.000 0.481 1311 D N 3.257 123.714 120.400 0.095 0.000 2.946 1311 D HA 0.206 4.835 4.640 -0.018 0.000 0.337 1311 D C 0.640 176.937 176.300 -0.006 0.000 1.332 1311 D CA -0.538 53.513 54.000 0.085 0.000 0.935 1311 D CB 0.718 41.622 40.800 0.174 0.000 1.440 1311 D HN 0.329 nan 8.370 nan 0.000 0.540 1312 K N -0.450 119.863 120.400 -0.146 0.000 2.362 1312 K HA -0.011 4.299 4.320 -0.018 0.000 0.200 1312 K C 1.111 177.445 176.600 -0.444 0.000 1.046 1312 K CA 1.027 57.118 56.287 -0.327 0.000 0.952 1312 K CB -0.485 31.750 32.500 -0.442 0.000 0.753 1312 K HN 0.286 nan 8.250 nan 0.000 0.466 1313 F N 2.431 122.371 119.950 -0.016 0.000 2.179 1313 F HA -0.071 4.444 4.527 -0.021 0.000 0.292 1313 F C 2.955 178.744 175.800 -0.019 0.000 1.089 1313 F CA 1.302 59.280 58.000 -0.037 0.000 1.295 1313 F CB -0.848 38.107 39.000 -0.074 0.000 1.041 1313 F HN 0.133 nan 8.300 nan 0.000 0.487 1314 T N -2.369 112.283 114.554 0.164 0.000 2.788 1314 T HA -0.180 4.159 4.350 -0.018 0.000 0.268 1314 T C 1.854 176.584 174.700 0.051 0.000 1.044 1314 T CA 1.752 63.908 62.100 0.093 0.000 1.139 1314 T CB -1.182 67.732 68.868 0.076 0.000 0.867 1314 T HN 0.370 nan 8.240 nan 0.000 0.454 1315 T N -0.081 114.489 114.554 0.027 0.000 3.067 1315 T HA 0.290 4.629 4.350 -0.018 0.000 0.261 1315 T C 1.401 176.097 174.700 -0.006 0.000 1.110 1315 T CA 0.474 62.578 62.100 0.006 0.000 1.113 1315 T CB -0.707 68.156 68.868 -0.007 0.000 0.917 1315 T HN 0.524 nan 8.240 nan 0.000 0.499 1316 L N -0.963 120.253 121.223 -0.013 0.000 4.759 1316 L HA -0.244 4.086 4.340 -0.018 0.000 0.419 1316 L C 1.773 178.609 176.870 -0.057 0.000 1.093 1316 L CA 0.126 54.952 54.840 -0.024 0.000 1.037 1316 L CB -2.792 39.265 42.059 -0.002 0.000 2.095 1316 L HN 0.400 nan 8.230 nan 0.000 0.739 1317 C N -0.658 118.594 119.300 -0.081 0.000 2.410 1317 C HA -0.137 4.313 4.460 -0.018 0.000 0.281 1317 C C 2.580 177.495 174.990 -0.124 0.000 1.318 1317 C CA 1.195 60.160 59.018 -0.089 0.000 1.776 1317 C CB -0.562 27.125 27.740 -0.088 0.000 1.942 1317 C HN 0.654 nan 8.230 nan 0.000 0.508 1318 V N 1.763 121.555 119.914 -0.203 0.000 2.720 1318 V HA -0.153 3.957 4.120 -0.018 0.000 0.256 1318 V C 2.498 178.530 176.094 -0.103 0.000 1.082 1318 V CA 2.527 64.691 62.300 -0.227 0.000 1.101 1318 V CB -0.532 31.038 31.823 -0.423 0.000 0.693 1318 V HN 0.812 nan 8.190 nan 0.000 0.479 1319 T N -3.315 111.199 114.554 -0.067 0.000 3.113 1319 T HA 0.299 4.639 4.350 -0.018 0.000 0.256 1319 T C 1.543 176.226 174.700 -0.029 0.000 1.131 1319 T CA 1.031 63.112 62.100 -0.032 0.000 1.074 1319 T CB 0.460 69.319 68.868 -0.016 0.000 0.944 1319 T HN 1.218 nan 8.240 nan 0.000 0.516 1320 G N 0.921 109.699 108.800 -0.038 0.000 2.213 1320 G HA2 -0.026 3.924 3.960 -0.018 0.000 0.226 1320 G HA3 -0.026 3.924 3.960 -0.018 0.000 0.226 1320 G C 0.377 175.263 174.900 -0.023 0.000 0.992 1320 G CA -0.146 44.937 45.100 -0.028 0.000 0.632 1320 G HN 1.154 nan 8.290 nan 0.000 0.511 1321 A N 1.387 124.194 122.820 -0.023 0.000 2.425 1321 A HA 0.662 4.971 4.320 -0.018 0.000 0.242 1321 A C -1.144 176.428 177.584 -0.019 0.000 1.077 1321 A CA -0.159 51.868 52.037 -0.017 0.000 0.781 1321 A CB 0.117 19.110 19.000 -0.013 0.000 1.020 1321 A HN 0.291 nan 8.150 nan 0.000 0.494 1322 P HA 0.552 nan 4.420 nan 0.000 0.276 1322 P C 0.075 177.369 177.300 -0.010 0.000 1.244 1322 P CA 0.091 63.184 63.100 -0.011 0.000 0.801 1322 P CB 1.327 33.024 31.700 -0.006 0.000 1.006 1323 G N 0.444 109.238 108.800 -0.009 0.000 2.559 1323 G HA2 0.203 4.152 3.960 -0.018 0.000 0.291 1323 G HA3 0.203 4.152 3.960 -0.018 0.000 0.291 1323 G C -0.949 173.950 174.900 -0.001 0.000 1.424 1323 G CA -0.635 44.461 45.100 -0.007 0.000 0.786 1323 G HN 0.402 nan 8.290 nan 0.000 0.485 1324 N N 0.532 119.235 118.700 0.004 0.000 3.052 1324 N HA 0.241 4.971 4.740 -0.018 0.000 0.302 1324 N C 0.070 175.588 175.510 0.012 0.000 1.332 1324 N CA 0.162 53.219 53.050 0.010 0.000 1.129 1324 N CB -0.105 38.391 38.487 0.016 0.000 1.436 1324 N HN 0.755 nan 8.380 nan 0.000 0.536 1325 C N -2.188 117.117 119.300 0.008 0.000 3.259 1325 C HA 0.578 5.027 4.460 -0.018 0.000 0.328 1325 C C 0.367 175.365 174.990 0.013 0.000 1.425 1325 C CA -1.133 57.894 59.018 0.015 0.000 1.465 1325 C CB 1.221 28.971 27.740 0.018 0.000 1.890 1325 C HN 0.147 nan 8.230 nan 0.000 0.450 1326 K N 0.000 120.414 120.400 0.024 0.000 2.780 1326 K HA 0.000 4.309 4.320 -0.018 0.000 0.191 1326 K CA 0.000 56.298 56.287 0.018 0.000 0.838 1326 K CB 0.000 32.510 32.500 0.017 0.000 1.064 1326 K HN 0.000 nan 8.250 nan 0.000 0.543