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 3ns1_1_C DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTTLCVTG DATA SEQUENCE APGNC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.258 176.300 -0.070 0.000 2.045 571 D CA 0.000 53.958 54.000 -0.071 0.000 0.868 571 D CB 0.000 40.755 40.800 -0.075 0.000 0.688 572 T N -0.705 113.806 114.554 -0.071 0.000 3.044 572 T HA 0.242 4.582 4.350 -0.016 0.000 0.260 572 T C 0.679 175.339 174.700 -0.066 0.000 1.019 572 T CA -0.070 61.996 62.100 -0.057 0.000 0.921 572 T CB 0.085 68.929 68.868 -0.040 0.000 1.053 572 T HN 0.115 nan 8.240 nan 0.000 0.533 573 V N 2.381 122.233 119.914 -0.103 0.000 2.450 573 V HA 0.475 4.586 4.120 -0.016 0.000 0.281 573 V C 1.626 177.666 176.094 -0.090 0.000 1.019 573 V CA 1.356 63.587 62.300 -0.115 0.000 1.062 573 V CB -0.179 31.505 31.823 -0.232 0.000 0.979 573 V HN 0.889 nan 8.190 nan 0.000 0.477 574 G N 4.951 113.718 108.800 -0.055 0.000 2.179 574 G HA2 -0.189 3.762 3.960 -0.016 0.000 0.220 574 G HA3 -0.189 3.762 3.960 -0.016 0.000 0.220 574 G C 0.186 175.067 174.900 -0.032 0.000 0.990 574 G CA -0.188 44.887 45.100 -0.041 0.000 0.646 574 G HN 0.608 nan 8.290 nan 0.000 0.517 575 R N 0.903 121.384 120.500 -0.032 0.000 2.540 575 R HA 0.500 4.831 4.340 -0.016 0.000 0.287 575 R C -2.305 173.986 176.300 -0.016 0.000 0.980 575 R CA -1.848 54.238 56.100 -0.024 0.000 0.966 575 R CB 1.530 31.815 30.300 -0.025 0.000 1.106 575 R HN 0.008 nan 8.270 nan 0.000 0.480 576 P HA -0.018 nan 4.420 nan 0.000 0.231 576 P C -0.685 176.616 177.300 0.002 0.000 1.756 576 P CA -0.134 62.963 63.100 -0.005 0.000 0.990 576 P CB -0.086 31.610 31.700 -0.006 0.000 1.973 577 L N 3.551 124.774 121.223 0.001 0.000 2.418 577 L HA 0.329 4.659 4.340 -0.016 0.000 0.274 577 L C -2.234 174.650 176.870 0.023 0.000 1.135 577 L CA -1.921 52.923 54.840 0.007 0.000 0.870 577 L CB -0.376 41.681 42.059 -0.002 0.000 1.154 577 L HN 0.010 nan 8.230 nan 0.000 0.462 578 P HA -0.004 nan 4.420 nan 0.000 0.269 578 P C -0.794 176.566 177.300 0.101 0.000 1.215 578 P CA -0.066 63.075 63.100 0.068 0.000 0.780 578 P CB 0.218 31.956 31.700 0.063 0.000 0.898 579 H N 2.571 121.653 119.070 0.020 0.000 3.094 579 H HA -0.018 4.529 4.556 -0.016 0.000 0.320 579 H C 1.072 176.415 175.328 0.026 0.000 1.000 579 H CA 0.586 56.647 56.048 0.022 0.000 1.413 579 H CB 0.394 30.171 29.762 0.024 0.000 1.405 579 H HN 0.359 nan 8.280 nan 0.000 0.586 580 L N 4.060 125.322 121.223 0.065 0.000 2.265 580 L HA -0.145 4.185 4.340 -0.016 0.000 0.215 580 L C 2.174 179.155 176.870 0.184 0.000 1.117 580 L CA 1.307 56.204 54.840 0.094 0.000 0.782 580 L CB -0.237 41.824 42.059 0.003 0.000 0.914 580 L HN 0.636 nan 8.230 nan 0.000 0.441 581 A N -0.942 122.099 122.820 0.369 0.000 2.348 581 A HA 0.402 4.713 4.320 -0.016 0.000 0.224 581 A C 2.313 179.967 177.584 0.116 0.000 1.227 581 A CA 0.626 52.792 52.037 0.215 0.000 0.885 581 A CB -0.112 19.014 19.000 0.209 0.000 0.933 581 A HN 0.258 nan 8.150 nan 0.000 0.506 582 A N 0.615 123.513 122.820 0.130 0.000 1.892 582 A HA 0.024 4.334 4.320 -0.016 0.000 0.218 582 A C 2.447 180.053 177.584 0.037 0.000 1.188 582 A CA 2.191 54.245 52.037 0.029 0.000 0.631 582 A CB -0.990 18.043 19.000 0.054 0.000 0.822 582 A HN 1.128 nan 8.150 nan 0.000 0.447 583 A N -0.825 122.028 122.820 0.054 0.000 1.940 583 A HA -0.130 4.180 4.320 -0.016 0.000 0.219 583 A C 2.224 179.833 177.584 0.042 0.000 1.176 583 A CA 1.928 53.992 52.037 0.044 0.000 0.631 583 A CB -0.503 18.524 19.000 0.045 0.000 0.814 583 A HN 0.567 nan 8.150 nan 0.000 0.446 584 M N -1.406 118.221 119.600 0.046 0.000 2.447 584 M HA -0.053 4.418 4.480 -0.016 0.000 0.264 584 M C 2.160 178.489 176.300 0.048 0.000 1.095 584 M CA 0.744 56.069 55.300 0.042 0.000 1.125 584 M CB -0.124 32.501 32.600 0.040 0.000 1.389 584 M HN 0.459 nan 8.290 nan 0.000 0.459 585 Q N 0.543 120.371 119.800 0.047 0.000 2.123 585 Q HA -0.038 4.292 4.340 -0.016 0.000 0.199 585 Q C 2.235 178.274 176.000 0.065 0.000 0.966 585 Q CA 1.585 57.431 55.803 0.071 0.000 0.845 585 Q CB -0.184 28.581 28.738 0.044 0.000 0.907 585 Q HN 0.568 nan 8.270 nan 0.000 0.439 586 A N 0.712 123.560 122.820 0.046 0.000 2.066 586 A HA -0.107 4.204 4.320 -0.016 0.000 0.218 586 A C 2.048 179.657 177.584 0.041 0.000 1.157 586 A CA 1.446 53.508 52.037 0.042 0.000 0.670 586 A CB -0.203 18.819 19.000 0.036 0.000 0.804 586 A HN 0.387 nan 8.150 nan 0.000 0.453 587 S N -2.533 113.192 115.700 0.041 0.000 2.524 587 S HA 0.405 4.866 4.470 -0.016 0.000 0.215 587 S C 1.312 175.936 174.600 0.040 0.000 0.986 587 S CA 0.934 59.156 58.200 0.036 0.000 0.911 587 S CB -0.061 63.157 63.200 0.030 0.000 0.805 587 S HN 1.820 nan 8.310 nan 0.000 0.501 588 G N 1.234 110.068 108.800 0.056 0.000 2.147 588 G HA2 -0.256 3.694 3.960 -0.016 0.000 0.244 588 G HA3 -0.256 3.694 3.960 -0.016 0.000 0.244 588 G C 0.348 175.285 174.900 0.063 0.000 1.005 588 G CA 0.478 45.618 45.100 0.068 0.000 0.713 588 G HN 0.575 nan 8.290 nan 0.000 0.515 589 E N -0.342 119.889 120.200 0.052 0.000 2.364 589 E HA 0.428 4.768 4.350 -0.016 0.000 0.196 589 E C 1.739 178.353 176.600 0.022 0.000 0.990 589 E CA 0.315 56.735 56.400 0.033 0.000 0.886 589 E CB 0.311 30.024 29.700 0.023 0.000 0.866 589 E HN 0.760 nan 8.360 nan 0.000 0.493 590 A N 1.616 124.451 122.820 0.025 0.000 2.520 590 A HA 0.151 4.461 4.320 -0.016 0.000 0.245 590 A C 0.198 177.730 177.584 -0.086 0.000 1.072 590 A CA -0.068 51.940 52.037 -0.049 0.000 0.761 590 A CB 0.263 19.214 19.000 -0.082 0.000 1.004 590 A HN 0.004 nan 8.150 nan 0.000 0.499 591 V N 4.646 124.463 119.914 -0.161 0.000 2.385 591 V HA 0.240 4.351 4.120 -0.016 0.000 0.269 591 V C -0.376 175.553 176.094 -0.274 0.000 1.043 591 V CA -0.052 62.176 62.300 -0.121 0.000 0.906 591 V CB -0.503 31.265 31.823 -0.092 0.000 0.995 591 V HN 0.728 nan 8.190 nan 0.000 0.467 592 Y N 2.087 122.376 120.300 -0.019 0.000 2.480 592 Y HA 0.305 4.846 4.550 -0.016 0.000 0.323 592 Y C 1.653 177.535 175.900 -0.030 0.000 1.267 592 Y CA -0.489 57.598 58.100 -0.022 0.000 1.336 592 Y CB 0.330 38.778 38.460 -0.021 0.000 1.361 592 Y HN 0.624 nan 8.280 nan 0.000 0.518 593 C N 0.509 119.896 119.300 0.145 0.000 2.393 593 C HA -0.249 4.202 4.460 -0.016 0.000 0.276 593 C C 2.359 177.376 174.990 0.045 0.000 1.215 593 C CA 2.315 61.375 59.018 0.071 0.000 1.743 593 C CB -0.972 26.816 27.740 0.080 0.000 2.044 593 C HN 1.062 nan 8.230 nan 0.000 0.464 594 D N -0.337 120.103 120.400 0.067 0.000 2.378 594 D HA -0.048 4.583 4.640 -0.016 0.000 0.227 594 D C 1.297 177.623 176.300 0.044 0.000 1.012 594 D CA 0.761 54.795 54.000 0.057 0.000 0.905 594 D CB -0.283 40.557 40.800 0.067 0.000 0.895 594 D HN 0.548 nan 8.370 nan 0.000 0.532 595 D N -0.389 120.039 120.400 0.047 0.000 2.348 595 D HA 0.042 4.673 4.640 -0.016 0.000 0.211 595 D C 0.605 176.887 176.300 -0.031 0.000 0.998 595 D CA 0.057 54.075 54.000 0.031 0.000 0.873 595 D CB 0.182 41.029 40.800 0.078 0.000 0.925 595 D HN 0.365 nan 8.370 nan 0.000 0.524 596 I N 2.727 123.249 120.570 -0.079 0.000 2.618 596 I HA 0.029 4.190 4.170 -0.016 0.000 0.284 596 I C -1.868 174.158 176.117 -0.152 0.000 1.146 596 I CA -1.495 59.702 61.300 -0.173 0.000 1.425 596 I CB 0.184 37.994 38.000 -0.317 0.000 1.383 596 I HN -0.283 nan 8.210 nan 0.000 0.562 597 P HA 0.163 nan 4.420 nan 0.000 0.269 597 P C -0.807 176.369 177.300 -0.206 0.000 1.215 597 P CA -0.246 62.760 63.100 -0.156 0.000 0.780 597 P CB 0.516 32.111 31.700 -0.174 0.000 0.898 598 R N 1.057 121.481 120.500 -0.127 0.000 2.486 598 R HA 0.387 4.718 4.340 -0.016 0.000 0.286 598 R C -0.219 175.993 176.300 -0.147 0.000 0.999 598 R CA -0.410 55.627 56.100 -0.104 0.000 0.993 598 R CB 0.160 30.479 30.300 0.032 0.000 1.084 598 R HN 0.435 nan 8.270 nan 0.000 0.487 599 Y N 1.325 121.617 120.300 -0.014 0.000 2.426 599 Y HA -0.115 4.425 4.550 -0.016 0.000 0.344 599 Y C 1.873 177.784 175.900 0.018 0.000 1.256 599 Y CA 0.375 58.474 58.100 -0.003 0.000 1.451 599 Y CB 0.754 39.209 38.460 -0.009 0.000 1.342 599 Y HN 0.718 nan 8.280 nan 0.000 0.600 600 E N 0.356 120.684 120.200 0.213 0.000 2.153 600 E HA -0.254 4.087 4.350 -0.016 0.000 0.194 600 E C 0.493 177.178 176.600 0.141 0.000 0.988 600 E CA 1.565 58.047 56.400 0.137 0.000 0.811 600 E CB -0.321 29.442 29.700 0.105 0.000 0.746 600 E HN 0.732 nan 8.360 nan 0.000 0.466 601 N N 1.102 119.890 118.700 0.146 0.000 2.295 601 N HA 0.012 4.743 4.740 -0.016 0.000 0.221 601 N C -0.522 175.131 175.510 0.238 0.000 1.129 601 N CA -0.108 53.051 53.050 0.182 0.000 0.836 601 N CB 0.220 38.736 38.487 0.047 0.000 1.040 601 N HN 0.257 nan 8.380 nan 0.000 0.494 602 E N 0.916 121.213 120.200 0.161 0.000 2.290 602 E HA 0.230 4.571 4.350 -0.016 0.000 0.277 602 E C -0.394 176.162 176.600 -0.074 0.000 1.035 602 E CA -0.422 56.008 56.400 0.049 0.000 0.873 602 E CB 0.616 30.314 29.700 -0.004 0.000 1.029 602 E HN 0.237 nan 8.360 nan 0.000 0.419 603 L N 3.409 124.552 121.223 -0.134 0.000 2.544 603 L HA 0.543 4.873 4.340 -0.016 0.000 0.256 603 L C -0.456 176.143 176.870 -0.452 0.000 1.097 603 L CA -0.920 53.840 54.840 -0.133 0.000 0.812 603 L CB 0.562 42.581 42.059 -0.067 0.000 1.440 603 L HN 0.520 nan 8.230 nan 0.000 0.496 604 F N 0.271 120.236 119.950 0.024 0.000 2.576 604 F HA 0.618 5.136 4.527 -0.016 0.000 0.313 604 F C -0.440 175.376 175.800 0.027 0.000 1.078 604 F CA -0.506 57.515 58.000 0.035 0.000 0.921 604 F CB 1.964 40.987 39.000 0.039 0.000 1.232 604 F HN 0.140 nan 8.300 nan 0.000 0.459 605 L N 2.708 124.051 121.223 0.200 0.000 2.362 605 L HA 0.790 5.121 4.340 -0.016 0.000 0.271 605 L C -1.193 175.768 176.870 0.152 0.000 1.002 605 L CA -0.723 54.198 54.840 0.135 0.000 0.818 605 L CB 1.955 44.068 42.059 0.089 0.000 1.298 605 L HN 0.775 nan 8.230 nan 0.000 0.420 606 R N 4.149 124.731 120.500 0.136 0.000 2.532 606 R HA 0.555 4.885 4.340 -0.016 0.000 0.297 606 R C -1.524 174.859 176.300 0.137 0.000 0.984 606 R CA -0.550 55.633 56.100 0.139 0.000 0.884 606 R CB 1.462 31.850 30.300 0.147 0.000 1.182 606 R HN 0.698 nan 8.270 nan 0.000 0.442 607 L N 3.934 125.241 121.223 0.140 0.000 2.456 607 L HA 0.254 4.584 4.340 -0.016 0.000 0.272 607 L C -0.280 176.686 176.870 0.161 0.000 1.189 607 L CA -0.416 54.516 54.840 0.153 0.000 0.846 607 L CB 1.063 43.212 42.059 0.150 0.000 1.111 607 L HN 0.354 nan 8.230 nan 0.000 0.475 608 V N 2.399 122.414 119.914 0.169 0.000 2.435 608 V HA 0.415 4.526 4.120 -0.016 0.000 0.290 608 V C 0.169 176.370 176.094 0.179 0.000 1.030 608 V CA -0.312 62.102 62.300 0.191 0.000 0.881 608 V CB 1.761 33.743 31.823 0.266 0.000 0.983 608 V HN 0.782 nan 8.190 nan 0.000 0.445 609 T N 2.725 117.384 114.554 0.176 0.000 2.893 609 T HA 0.368 4.709 4.350 -0.016 0.000 0.291 609 T C -0.147 174.670 174.700 0.195 0.000 1.028 609 T CA -0.231 61.975 62.100 0.177 0.000 0.995 609 T CB 1.745 70.709 68.868 0.160 0.000 1.051 609 T HN 0.784 nan 8.240 nan 0.000 0.470 610 S N 1.044 116.872 115.700 0.214 0.000 2.560 610 S HA 0.144 4.604 4.470 -0.016 0.000 0.284 610 S C 1.349 176.035 174.600 0.145 0.000 1.327 610 S CA 0.305 58.652 58.200 0.246 0.000 1.055 610 S CB 0.343 63.694 63.200 0.251 0.000 0.868 610 S HN 0.877 nan 8.310 nan 0.000 0.506 611 T N 2.467 117.059 114.554 0.064 0.000 3.134 611 T HA 0.384 4.725 4.350 -0.016 0.000 0.260 611 T C 0.279 174.841 174.700 -0.231 0.000 1.027 611 T CA -0.540 61.523 62.100 -0.062 0.000 0.913 611 T CB 0.005 68.869 68.868 -0.007 0.000 1.046 611 T HN 0.412 nan 8.240 nan 0.000 0.553 612 R N 0.296 120.603 120.500 -0.321 0.000 2.711 612 R HA 0.786 5.116 4.340 -0.016 0.000 0.284 612 R C 1.228 177.487 176.300 -0.068 0.000 0.968 612 R CA -0.283 55.657 56.100 -0.267 0.000 0.924 612 R CB 1.185 31.216 30.300 -0.448 0.000 1.162 612 R HN 0.141 nan 8.270 nan 0.000 0.465 613 A N 1.056 123.857 122.820 -0.032 0.000 1.883 613 A HA -0.160 4.150 4.320 -0.016 0.000 0.217 613 A C 0.264 177.917 177.584 0.115 0.000 1.186 613 A CA 1.714 53.764 52.037 0.023 0.000 0.624 613 A CB -0.262 18.744 19.000 0.010 0.000 0.822 613 A HN 0.647 nan 8.150 nan 0.000 0.444 614 H N -2.300 116.759 119.070 -0.018 0.000 3.179 614 H HA 0.615 5.161 4.556 -0.016 0.000 0.331 614 H C -0.898 174.447 175.328 0.029 0.000 1.013 614 H CA -0.417 55.641 56.048 0.016 0.000 1.430 614 H CB 0.828 30.589 29.762 -0.002 0.000 1.895 614 H HN 0.598 nan 8.280 nan 0.000 0.468 615 A N 4.014 126.860 122.820 0.044 0.000 2.597 615 A HA 0.476 4.786 4.320 -0.016 0.000 0.292 615 A C -1.309 176.326 177.584 0.084 0.000 1.057 615 A CA -0.969 51.076 52.037 0.013 0.000 0.674 615 A CB 1.316 20.384 19.000 0.112 0.000 1.278 615 A HN 0.499 nan 8.150 nan 0.000 0.416 616 K N 0.699 121.133 120.400 0.057 0.000 2.249 616 K HA 0.498 4.809 4.320 -0.016 0.000 0.280 616 K C -0.833 175.821 176.600 0.091 0.000 1.033 616 K CA -0.013 56.312 56.287 0.063 0.000 0.946 616 K CB 0.622 33.136 32.500 0.023 0.000 1.005 616 K HN 0.517 nan 8.250 nan 0.000 0.469 617 I N 4.815 125.414 120.570 0.048 0.000 2.337 617 I HA 0.004 4.165 4.170 -0.016 0.000 0.291 617 I C 1.414 177.491 176.117 -0.067 0.000 1.046 617 I CA 0.214 61.484 61.300 -0.049 0.000 1.324 617 I CB 0.725 38.693 38.000 -0.053 0.000 1.409 617 I HN 0.662 nan 8.210 nan 0.000 0.494 618 K N 4.243 124.580 120.400 -0.105 0.000 2.354 618 K HA 0.213 4.523 4.320 -0.016 0.000 0.194 618 K C 0.112 176.656 176.600 -0.093 0.000 1.045 618 K CA 0.115 56.358 56.287 -0.073 0.000 1.026 618 K CB 0.513 32.988 32.500 -0.042 0.000 0.866 618 K HN 0.591 nan 8.250 nan 0.000 0.530 619 S N 0.034 115.647 115.700 -0.145 0.000 2.565 619 S HA 0.511 4.971 4.470 -0.016 0.000 0.274 619 S C -1.071 173.420 174.600 -0.183 0.000 1.144 619 S CA -1.054 57.064 58.200 -0.137 0.000 0.849 619 S CB 1.013 64.145 63.200 -0.114 0.000 1.103 619 S HN 0.161 nan 8.310 nan 0.000 0.455 620 I N 2.037 122.505 120.570 -0.170 0.000 2.439 620 I HA 0.451 4.612 4.170 -0.016 0.000 0.285 620 I C -1.449 174.514 176.117 -0.257 0.000 1.021 620 I CA -0.260 60.903 61.300 -0.228 0.000 1.091 620 I CB 1.837 39.704 38.000 -0.222 0.000 1.242 620 I HN 0.806 nan 8.210 nan 0.000 0.439 621 D N 6.052 126.294 120.400 -0.263 0.000 2.408 621 D HA 0.388 5.019 4.640 -0.016 0.000 0.243 621 D C 0.160 176.290 176.300 -0.284 0.000 1.075 621 D CA -0.598 53.261 54.000 -0.236 0.000 0.832 621 D CB 2.047 42.746 40.800 -0.168 0.000 1.162 621 D HN 0.296 nan 8.370 nan 0.000 0.515 622 V N 1.613 121.351 119.914 -0.293 0.000 3.276 622 V HA 0.188 4.298 4.120 -0.016 0.000 0.319 622 V C 1.465 177.389 176.094 -0.283 0.000 1.427 622 V CA 0.573 62.678 62.300 -0.325 0.000 1.102 622 V CB -0.473 31.128 31.823 -0.370 0.000 1.020 622 V HN 0.504 nan 8.190 nan 0.000 0.456 623 S N 0.546 116.114 115.700 -0.220 0.000 2.368 623 S HA -0.175 4.286 4.470 -0.016 0.000 0.225 623 S C 1.724 176.202 174.600 -0.203 0.000 1.030 623 S CA 1.511 59.596 58.200 -0.192 0.000 0.999 623 S CB -0.428 62.689 63.200 -0.138 0.000 0.844 623 S HN 0.612 nan 8.310 nan 0.000 0.459 624 E N 2.059 122.148 120.200 -0.185 0.000 2.072 624 E HA 0.046 4.386 4.350 -0.016 0.000 0.191 624 E C 2.467 178.939 176.600 -0.213 0.000 0.985 624 E CA 1.186 57.487 56.400 -0.166 0.000 0.801 624 E CB -0.761 28.863 29.700 -0.126 0.000 0.750 624 E HN 0.677 nan 8.360 nan 0.000 0.452 625 A N 1.240 123.898 122.820 -0.270 0.000 1.972 625 A HA -0.206 4.104 4.320 -0.016 0.000 0.219 625 A C 2.062 179.224 177.584 -0.704 0.000 1.169 625 A CA 1.275 53.118 52.037 -0.323 0.000 0.635 625 A CB -0.490 18.384 19.000 -0.210 0.000 0.810 625 A HN 0.208 nan 8.150 nan 0.000 0.446 626 Q N -0.517 118.779 119.800 -0.840 0.000 2.364 626 Q HA -0.114 4.217 4.340 -0.016 0.000 0.209 626 Q C 1.533 177.284 176.000 -0.415 0.000 0.977 626 Q CA 1.265 56.530 55.803 -0.897 0.000 0.885 626 Q CB -0.103 28.317 28.738 -0.529 0.000 0.941 626 Q HN 0.635 nan 8.270 nan 0.000 0.464 627 K N -0.162 120.071 120.400 -0.279 0.000 2.418 627 K HA 0.067 4.377 4.320 -0.016 0.000 0.195 627 K C -0.032 176.501 176.600 -0.112 0.000 1.035 627 K CA -0.013 56.184 56.287 -0.151 0.000 1.003 627 K CB 0.615 33.047 32.500 -0.114 0.000 0.793 627 K HN -0.045 nan 8.250 nan 0.000 0.494 628 V N 4.178 124.022 119.914 -0.118 0.000 2.521 628 V HA 0.057 4.167 4.120 -0.016 0.000 0.286 628 V C -2.160 173.877 176.094 -0.096 0.000 1.034 628 V CA -1.720 60.534 62.300 -0.076 0.000 1.045 628 V CB 0.361 32.179 31.823 -0.008 0.000 0.974 628 V HN 0.075 nan 8.190 nan 0.000 0.480 629 P HA 0.169 nan 4.420 nan 0.000 0.265 629 P C 1.029 178.109 177.300 -0.367 0.000 1.187 629 P CA 1.235 64.186 63.100 -0.250 0.000 0.766 629 P CB 0.509 32.036 31.700 -0.288 0.000 0.820 630 G N 1.536 110.280 108.800 -0.093 0.000 2.212 630 G HA2 -0.311 3.640 3.960 -0.016 0.000 0.266 630 G HA3 -0.311 3.640 3.960 -0.016 0.000 0.266 630 G C 0.146 175.106 174.900 0.099 0.000 0.978 630 G CA -0.192 44.935 45.100 0.045 0.000 0.632 630 G HN 0.570 nan 8.290 nan 0.000 0.537 631 F N 0.980 120.909 119.950 -0.035 0.000 2.607 631 F HA 0.377 4.894 4.527 -0.016 0.000 0.374 631 F C 1.359 177.169 175.800 0.016 0.000 1.104 631 F CA 1.039 59.044 58.000 0.008 0.000 1.296 631 F CB 0.946 39.942 39.000 -0.006 0.000 1.085 631 F HN -0.069 nan 8.300 nan 0.000 0.584 632 V N 4.387 123.866 119.914 -0.724 0.000 2.840 632 V HA 0.107 4.218 4.120 -0.016 0.000 0.234 632 V C 0.269 175.970 176.094 -0.656 0.000 1.159 632 V CA 1.054 63.067 62.300 -0.478 0.000 1.194 632 V CB 0.554 32.195 31.823 -0.303 0.000 0.971 632 V HN 1.036 nan 8.190 nan 0.000 0.494 633 C N -1.884 116.820 119.300 -0.994 0.000 3.303 633 C HA 0.657 5.107 4.460 -0.016 0.000 0.340 633 C C -1.215 173.636 174.990 -0.232 0.000 1.274 633 C CA -1.387 57.360 59.018 -0.450 0.000 1.234 633 C CB 0.580 28.240 27.740 -0.134 0.000 1.532 633 C HN 0.302 nan 8.230 nan 0.000 0.483 634 F N 1.802 121.785 119.950 0.054 0.000 2.422 634 F HA 0.856 5.373 4.527 -0.016 0.000 0.333 634 F C -0.697 175.077 175.800 -0.044 0.000 1.095 634 F CA -1.085 56.948 58.000 0.054 0.000 1.038 634 F CB 0.908 39.992 39.000 0.139 0.000 1.156 634 F HN 0.713 nan 8.300 nan 0.000 0.483 635 L N 5.281 125.892 121.223 -1.021 0.000 2.365 635 L HA 0.650 4.980 4.340 -0.016 0.000 0.273 635 L C -0.539 175.526 176.870 -1.342 0.000 1.000 635 L CA -0.580 53.779 54.840 -0.802 0.000 0.819 635 L CB 1.994 43.773 42.059 -0.467 0.000 1.284 635 L HN 0.813 nan 8.230 nan 0.000 0.418 636 S N 1.109 116.335 115.700 -0.790 0.000 2.776 636 S HA 0.621 5.082 4.470 -0.016 0.000 0.292 636 S C 0.706 175.203 174.600 -0.172 0.000 1.187 636 S CA -0.005 57.774 58.200 -0.703 0.000 0.834 636 S CB 1.392 64.450 63.200 -0.236 0.000 1.199 636 S HN 0.661 nan 8.310 nan 0.000 0.514 637 A N 0.973 123.818 122.820 0.042 0.000 1.971 637 A HA -0.165 4.146 4.320 -0.016 0.000 0.222 637 A C 1.513 179.160 177.584 0.105 0.000 1.182 637 A CA 2.419 54.565 52.037 0.181 0.000 0.649 637 A CB -1.459 17.622 19.000 0.135 0.000 0.818 637 A HN 0.842 nan 8.150 nan 0.000 0.458 638 D N 0.277 120.712 120.400 0.059 0.000 2.309 638 D HA -0.091 4.539 4.640 -0.016 0.000 0.212 638 D C 0.930 177.265 176.300 0.057 0.000 0.968 638 D CA 1.094 55.125 54.000 0.051 0.000 0.882 638 D CB -0.377 40.450 40.800 0.045 0.000 0.918 638 D HN 0.561 nan 8.370 nan 0.000 0.503 639 D N 0.167 120.604 120.400 0.062 0.000 2.355 639 D HA 0.018 4.649 4.640 -0.016 0.000 0.218 639 D C 0.818 177.180 176.300 0.104 0.000 1.004 639 D CA 0.047 54.096 54.000 0.081 0.000 0.880 639 D CB 0.958 41.797 40.800 0.064 0.000 0.911 639 D HN 0.263 nan 8.370 nan 0.000 0.528 640 I N 3.579 124.197 120.570 0.081 0.000 2.452 640 I HA -0.014 4.146 4.170 -0.016 0.000 0.287 640 I C -0.824 175.278 176.117 -0.025 0.000 1.079 640 I CA -1.145 60.169 61.300 0.023 0.000 1.387 640 I CB 1.327 39.341 38.000 0.024 0.000 1.404 640 I HN -0.166 nan 8.210 nan 0.000 0.522 641 P HA 0.010 nan 4.420 nan 0.000 0.224 641 P C 1.014 178.251 177.300 -0.105 0.000 1.157 641 P CA 0.759 63.795 63.100 -0.106 0.000 0.799 641 P CB 0.515 32.066 31.700 -0.250 0.000 0.809 642 G N -0.288 108.429 108.800 -0.138 0.000 2.600 642 G HA2 0.191 4.142 3.960 -0.016 0.000 0.225 642 G HA3 0.191 4.142 3.960 -0.016 0.000 0.225 642 G C -0.099 174.756 174.900 -0.076 0.000 1.623 642 G CA 0.417 45.453 45.100 -0.106 0.000 0.903 642 G HN 0.434 nan 8.290 nan 0.000 0.574 643 S N -0.933 114.716 115.700 -0.085 0.000 2.540 643 S HA 0.397 4.858 4.470 -0.016 0.000 0.275 643 S C -0.800 173.749 174.600 -0.085 0.000 1.123 643 S CA -0.619 57.537 58.200 -0.074 0.000 0.907 643 S CB 1.818 64.970 63.200 -0.080 0.000 1.081 643 S HN 0.246 nan 8.310 nan 0.000 0.476 644 N N 2.477 121.139 118.700 -0.064 0.000 2.320 644 N HA 0.182 4.912 4.740 -0.016 0.000 0.237 644 N C -0.426 175.038 175.510 -0.076 0.000 1.129 644 N CA -0.154 52.856 53.050 -0.066 0.000 0.854 644 N CB 0.348 38.828 38.487 -0.012 0.000 1.083 644 N HN 0.718 nan 8.380 nan 0.000 0.504 645 E N -0.080 120.061 120.200 -0.099 0.000 2.158 645 E HA 0.383 4.724 4.350 -0.016 0.000 0.271 645 E C -1.079 175.402 176.600 -0.198 0.000 0.911 645 E CA -0.339 55.996 56.400 -0.108 0.000 0.767 645 E CB 1.329 30.983 29.700 -0.076 0.000 1.120 645 E HN 0.117 nan 8.360 nan 0.000 0.405 646 T N 1.959 116.373 114.554 -0.233 0.000 2.645 646 T HA 0.709 5.049 4.350 -0.016 0.000 0.300 646 T C -0.768 173.706 174.700 -0.377 0.000 1.210 646 T CA 0.489 62.324 62.100 -0.442 0.000 1.034 646 T CB 1.060 69.658 68.868 -0.450 0.000 1.537 646 T HN 0.972 nan 8.240 nan 0.000 0.492 647 G N 0.439 108.902 108.800 -0.561 0.000 2.662 647 G HA2 -0.003 3.948 3.960 -0.016 0.000 0.686 647 G HA3 -0.003 3.948 3.960 -0.016 0.000 0.686 647 G C 0.200 175.077 174.900 -0.038 0.000 1.271 647 G CA -0.132 44.875 45.100 -0.155 0.000 0.816 647 G HN 1.006 nan 8.290 nan 0.000 0.608 648 L N -0.189 121.128 121.223 0.157 0.000 2.079 648 L HA 0.258 4.588 4.340 -0.016 0.000 0.210 648 L C 2.065 178.717 176.870 -0.364 0.000 1.081 648 L CA 2.318 57.150 54.840 -0.012 0.000 0.752 648 L CB -0.477 41.541 42.059 -0.068 0.000 0.896 648 L HN 0.549 nan 8.230 nan 0.000 0.433 649 F N -0.944 119.033 119.950 0.044 0.000 2.668 649 F HA 0.283 4.800 4.527 -0.016 0.000 0.301 649 F C 1.048 176.838 175.800 -0.017 0.000 1.106 649 F CA -0.436 57.570 58.000 0.010 0.000 1.289 649 F CB -0.240 38.753 39.000 -0.012 0.000 1.006 649 F HN 0.025 nan 8.300 nan 0.000 0.535 650 N N 1.524 120.247 118.700 0.040 0.000 2.741 650 N HA -0.191 4.539 4.740 -0.016 0.000 0.250 650 N C -0.162 175.358 175.510 0.016 0.000 1.115 650 N CA 1.203 54.240 53.050 -0.021 0.000 0.724 650 N CB -0.907 37.569 38.487 -0.020 0.000 1.090 650 N HN 0.506 nan 8.380 nan 0.000 0.558 651 D N -0.673 119.756 120.400 0.048 0.000 2.424 651 D HA 0.158 4.789 4.640 -0.016 0.000 0.220 651 D C 0.226 176.553 176.300 0.045 0.000 1.150 651 D CA 0.226 54.259 54.000 0.056 0.000 0.831 651 D CB 0.297 41.139 40.800 0.071 0.000 0.981 651 D HN 0.361 nan 8.370 nan 0.000 0.500 652 E N -0.219 119.990 120.200 0.016 0.000 2.299 652 E HA 0.482 4.822 4.350 -0.016 0.000 0.265 652 E C -0.505 176.101 176.600 0.010 0.000 0.911 652 E CA -0.918 55.499 56.400 0.029 0.000 0.789 652 E CB 1.855 31.561 29.700 0.010 0.000 1.246 652 E HN 0.152 nan 8.360 nan 0.000 0.427 653 T N -2.114 112.477 114.554 0.061 0.000 2.929 653 T HA 0.281 4.622 4.350 -0.016 0.000 0.284 653 T C 0.978 175.657 174.700 -0.035 0.000 1.014 653 T CA -0.813 61.298 62.100 0.019 0.000 1.051 653 T CB 1.341 70.249 68.868 0.066 0.000 1.028 653 T HN 0.150 nan 8.240 nan 0.000 0.485 654 V N 0.482 120.312 119.914 -0.140 0.000 2.323 654 V HA 0.164 4.274 4.120 -0.016 0.000 0.244 654 V C 0.342 176.184 176.094 -0.419 0.000 1.041 654 V CA 1.077 63.183 62.300 -0.323 0.000 1.025 654 V CB -0.708 30.846 31.823 -0.449 0.000 0.656 654 V HN 0.848 nan 8.190 nan 0.000 0.451 655 F N -0.684 119.244 119.950 -0.038 0.000 2.518 655 F HA 0.707 5.225 4.527 -0.016 0.000 0.323 655 F C 0.326 176.082 175.800 -0.074 0.000 1.129 655 F CA -0.929 57.035 58.000 -0.061 0.000 0.920 655 F CB 1.193 40.153 39.000 -0.065 0.000 1.160 655 F HN -0.001 nan 8.300 nan 0.000 0.440 656 A N 3.888 126.732 122.820 0.039 0.000 2.511 656 A HA 0.172 4.482 4.320 -0.016 0.000 0.242 656 A C 0.859 178.459 177.584 0.027 0.000 1.069 656 A CA -0.038 51.959 52.037 -0.066 0.000 0.763 656 A CB 0.614 19.412 19.000 -0.337 0.000 1.001 656 A HN 1.023 nan 8.150 nan 0.000 0.498 657 K N 0.305 120.732 120.400 0.045 0.000 2.107 657 K HA 0.012 4.322 4.320 -0.016 0.000 0.211 657 K C 0.438 177.063 176.600 0.042 0.000 1.024 657 K CA 1.200 57.517 56.287 0.050 0.000 0.953 657 K CB 0.124 32.656 32.500 0.053 0.000 0.831 657 K HN 0.807 nan 8.250 nan 0.000 0.454 658 D N -0.920 119.511 120.400 0.051 0.000 2.423 658 D HA -0.011 4.620 4.640 -0.016 0.000 0.212 658 D C 0.169 176.509 176.300 0.066 0.000 1.060 658 D CA 0.441 54.468 54.000 0.046 0.000 0.872 658 D CB 1.157 41.983 40.800 0.043 0.000 1.012 658 D HN 0.191 nan 8.370 nan 0.000 0.503 659 T N 0.837 115.451 114.554 0.099 0.000 2.921 659 T HA 0.450 4.790 4.350 -0.016 0.000 0.297 659 T C -0.727 174.105 174.700 0.220 0.000 1.013 659 T CA -0.745 61.445 62.100 0.149 0.000 0.990 659 T CB 1.739 70.695 68.868 0.148 0.000 1.023 659 T HN -0.111 nan 8.240 nan 0.000 0.447 660 V N 3.047 123.131 119.914 0.283 0.000 2.612 660 V HA 0.822 4.933 4.120 -0.016 0.000 0.301 660 V C 0.906 177.270 176.094 0.450 0.000 1.046 660 V CA -0.052 62.512 62.300 0.440 0.000 0.946 660 V CB 1.105 33.151 31.823 0.372 0.000 1.003 660 V HN 1.087 nan 8.190 nan 0.000 0.459 661 T N -1.515 113.277 114.554 0.396 0.000 3.170 661 T HA 0.409 4.750 4.350 -0.016 0.000 0.288 661 T C 0.146 174.799 174.700 -0.077 0.000 0.992 661 T CA 0.360 62.487 62.100 0.045 0.000 0.909 661 T CB -0.591 68.224 68.868 -0.090 0.000 1.133 661 T HN 1.705 nan 8.240 nan 0.000 0.530 662 C N -1.696 117.610 119.300 0.009 0.000 3.275 662 C HA 0.668 5.119 4.460 -0.016 0.000 0.340 662 C C 1.275 176.313 174.990 0.081 0.000 1.366 662 C CA -0.515 58.507 59.018 0.007 0.000 1.227 662 C CB 0.739 28.446 27.740 -0.054 0.000 1.512 662 C HN 0.016 nan 8.230 nan 0.000 0.461 663 V N 1.796 121.741 119.914 0.052 0.000 2.287 663 V HA 0.016 4.126 4.120 -0.016 0.000 0.248 663 V C 2.352 178.508 176.094 0.104 0.000 1.053 663 V CA 2.968 65.305 62.300 0.061 0.000 1.027 663 V CB -0.868 30.979 31.823 0.039 0.000 0.646 663 V HN 1.239 nan 8.190 nan 0.000 0.447 664 G N -2.056 106.813 108.800 0.114 0.000 3.383 664 G HA2 0.048 3.998 3.960 -0.016 0.000 0.251 664 G HA3 0.048 3.998 3.960 -0.016 0.000 0.251 664 G C 0.313 175.333 174.900 0.200 0.000 1.203 664 G CA -0.365 44.819 45.100 0.140 0.000 0.852 664 G HN 0.615 nan 8.290 nan 0.000 0.531 665 H N 0.323 119.453 119.070 0.100 0.000 2.964 665 H HA 0.147 4.694 4.556 -0.016 0.000 0.328 665 H C 0.028 175.441 175.328 0.141 0.000 1.030 665 H CA -0.530 55.586 56.048 0.112 0.000 1.445 665 H CB 0.704 30.536 29.762 0.117 0.000 1.449 665 H HN 0.020 nan 8.280 nan 0.000 0.581 666 I N 6.770 127.481 120.570 0.235 0.000 2.416 666 I HA -0.087 4.074 4.170 -0.016 0.000 0.288 666 I C 0.856 177.036 176.117 0.106 0.000 1.051 666 I CA 0.336 61.740 61.300 0.174 0.000 1.375 666 I CB 0.964 39.086 38.000 0.204 0.000 1.407 666 I HN 0.678 nan 8.210 nan 0.000 0.516 667 I N 4.225 124.882 120.570 0.146 0.000 3.883 667 I HA 0.336 4.496 4.170 -0.016 0.000 0.305 667 I C 1.036 177.148 176.117 -0.008 0.000 1.247 667 I CA 0.142 61.497 61.300 0.091 0.000 1.350 667 I CB 0.541 38.597 38.000 0.094 0.000 1.194 667 I HN 0.732 nan 8.210 nan 0.000 0.441 668 G N 0.437 109.163 108.800 -0.123 0.000 2.428 668 G HA2 0.720 4.670 3.960 -0.016 0.000 0.304 668 G HA3 0.720 4.670 3.960 -0.016 0.000 0.304 668 G C -2.100 172.506 174.900 -0.490 0.000 1.303 668 G CA 0.120 44.705 45.100 -0.857 0.000 0.825 668 G HN 0.163 nan 8.290 nan 0.000 0.484 669 A N -1.298 121.078 122.820 -0.741 0.000 2.594 669 A HA 0.804 5.115 4.320 -0.016 0.000 0.295 669 A C -1.291 176.166 177.584 -0.212 0.000 1.071 669 A CA -0.469 51.432 52.037 -0.226 0.000 0.685 669 A CB 1.780 20.779 19.000 -0.001 0.000 1.285 669 A HN 1.540 nan 8.150 nan 0.000 0.405 670 V N 1.047 120.993 119.914 0.052 0.000 2.532 670 V HA 0.602 4.712 4.120 -0.016 0.000 0.295 670 V C -0.417 175.684 176.094 0.013 0.000 1.041 670 V CA -0.399 61.968 62.300 0.112 0.000 0.926 670 V CB 1.709 33.700 31.823 0.279 0.000 0.992 670 V HN 0.710 nan 8.190 nan 0.000 0.457 671 V N 3.708 123.553 119.914 -0.116 0.000 2.487 671 V HA 0.924 5.034 4.120 -0.016 0.000 0.298 671 V C 0.153 176.138 176.094 -0.182 0.000 1.028 671 V CA -0.076 62.158 62.300 -0.109 0.000 0.860 671 V CB 1.363 33.101 31.823 -0.143 0.000 0.991 671 V HN 1.096 nan 8.190 nan 0.000 0.427 672 A N 3.178 125.992 122.820 -0.009 0.000 2.524 672 A HA 0.741 5.051 4.320 -0.016 0.000 0.289 672 A C 0.265 177.948 177.584 0.165 0.000 1.248 672 A CA 0.060 52.118 52.037 0.034 0.000 0.712 672 A CB 1.388 20.467 19.000 0.132 0.000 1.312 672 A HN 0.733 nan 8.150 nan 0.000 0.441 673 D N -0.637 119.884 120.400 0.202 0.000 2.350 673 D HA 0.115 4.746 4.640 -0.016 0.000 0.213 673 D C 0.529 176.981 176.300 0.253 0.000 1.031 673 D CA 1.328 55.480 54.000 0.253 0.000 0.861 673 D CB -0.084 40.833 40.800 0.196 0.000 0.926 673 D HN 0.688 nan 8.370 nan 0.000 0.520 674 T N -4.282 110.308 114.554 0.061 0.000 2.883 674 T HA 0.415 4.756 4.350 -0.016 0.000 0.301 674 T C -2.425 171.995 174.700 -0.467 0.000 1.158 674 T CA -1.486 60.362 62.100 -0.420 0.000 1.007 674 T CB 2.635 71.237 68.868 -0.443 0.000 1.186 674 T HN -0.366 nan 8.240 nan 0.000 0.499 675 P HA -0.008 nan 4.420 nan 0.000 0.219 675 P C 0.981 178.192 177.300 -0.149 0.000 1.150 675 P CA 1.046 63.945 63.100 -0.334 0.000 0.814 675 P CB 0.240 31.740 31.700 -0.333 0.000 0.787 676 E N -0.728 119.342 120.200 -0.216 0.000 2.058 676 E HA -0.201 4.139 4.350 -0.016 0.000 0.194 676 E C 2.183 178.781 176.600 -0.003 0.000 0.997 676 E CA 1.233 57.554 56.400 -0.133 0.000 0.801 676 E CB -0.894 28.675 29.700 -0.218 0.000 0.746 676 E HN 0.388 nan 8.360 nan 0.000 0.450 677 H N -0.304 118.757 119.070 -0.015 0.000 2.421 677 H HA 0.056 4.602 4.556 -0.016 0.000 0.298 677 H C 1.923 177.301 175.328 0.084 0.000 1.087 677 H CA 1.250 57.323 56.048 0.043 0.000 1.330 677 H CB -0.587 29.206 29.762 0.052 0.000 1.388 677 H HN 0.233 nan 8.280 nan 0.000 0.526 678 A N 0.833 123.762 122.820 0.182 0.000 1.873 678 A HA -0.189 4.122 4.320 -0.016 0.000 0.215 678 A C 2.386 180.071 177.584 0.168 0.000 1.186 678 A CA 1.644 53.786 52.037 0.175 0.000 0.616 678 A CB -0.442 18.653 19.000 0.159 0.000 0.823 678 A HN 0.490 nan 8.150 nan 0.000 0.442 679 E N -0.556 119.721 120.200 0.129 0.000 2.058 679 E HA -0.241 4.100 4.350 -0.016 0.000 0.194 679 E C 2.335 179.028 176.600 0.155 0.000 0.997 679 E CA 1.295 57.767 56.400 0.121 0.000 0.801 679 E CB -0.128 29.616 29.700 0.073 0.000 0.746 679 E HN 0.549 nan 8.360 nan 0.000 0.450 680 R N -0.411 120.183 120.500 0.157 0.000 2.073 680 R HA -0.069 4.262 4.340 -0.016 0.000 0.229 680 R C 2.198 178.596 176.300 0.163 0.000 1.120 680 R CA 1.058 57.255 56.100 0.161 0.000 0.967 680 R CB -0.139 30.257 30.300 0.160 0.000 0.862 680 R HN 0.184 nan 8.270 nan 0.000 0.436 681 A N 0.582 123.511 122.820 0.182 0.000 1.897 681 A HA -0.026 4.284 4.320 -0.016 0.000 0.215 681 A C 2.284 179.972 177.584 0.174 0.000 1.181 681 A CA 1.408 53.555 52.037 0.183 0.000 0.620 681 A CB -0.565 18.633 19.000 0.330 0.000 0.821 681 A HN 0.459 nan 8.150 nan 0.000 0.443 682 A N -0.776 122.167 122.820 0.204 0.000 1.877 682 A HA -0.225 4.085 4.320 -0.016 0.000 0.216 682 A C 2.024 179.703 177.584 0.159 0.000 1.186 682 A CA 2.149 54.302 52.037 0.193 0.000 0.620 682 A CB -0.967 18.152 19.000 0.198 0.000 0.822 682 A HN 0.716 nan 8.150 nan 0.000 0.443 683 H N -0.980 118.144 119.070 0.089 0.000 2.489 683 H HA 0.005 4.552 4.556 -0.016 0.000 0.295 683 H C 1.302 176.658 175.328 0.047 0.000 1.082 683 H CA 1.603 57.691 56.048 0.068 0.000 1.295 683 H CB -0.023 29.775 29.762 0.060 0.000 1.380 683 H HN 0.151 nan 8.280 nan 0.000 0.548 684 V N 0.402 120.272 119.914 -0.074 0.000 3.542 684 V HA 0.105 4.216 4.120 -0.016 0.000 0.296 684 V C 0.096 176.111 176.094 -0.132 0.000 1.364 684 V CA 0.032 62.250 62.300 -0.137 0.000 1.118 684 V CB 0.174 31.961 31.823 -0.060 0.000 0.972 684 V HN 0.079 nan 8.190 nan 0.000 0.430 685 V N 1.615 121.466 119.914 -0.105 0.000 2.508 685 V HA 0.167 4.277 4.120 -0.016 0.000 0.281 685 V C 0.264 176.274 176.094 -0.141 0.000 1.041 685 V CA -0.088 62.128 62.300 -0.140 0.000 1.016 685 V CB 1.091 32.847 31.823 -0.111 0.000 0.984 685 V HN 0.349 nan 8.190 nan 0.000 0.478 686 K N 3.765 124.066 120.400 -0.166 0.000 2.240 686 K HA 0.594 4.904 4.320 -0.016 0.000 0.271 686 K C -0.946 175.555 176.600 -0.165 0.000 1.018 686 K CA -0.244 55.961 56.287 -0.137 0.000 0.874 686 K CB 1.613 34.038 32.500 -0.126 0.000 1.098 686 K HN 0.513 nan 8.250 nan 0.000 0.458 687 V N 2.808 122.632 119.914 -0.151 0.000 2.513 687 V HA 0.420 4.531 4.120 -0.016 0.000 0.299 687 V C -0.278 175.602 176.094 -0.357 0.000 1.035 687 V CA -0.846 61.269 62.300 -0.307 0.000 0.889 687 V CB 1.901 33.493 31.823 -0.384 0.000 0.988 687 V HN 0.763 nan 8.190 nan 0.000 0.440 688 T N 4.279 118.590 114.554 -0.404 0.000 2.823 688 T HA 0.730 5.070 4.350 -0.016 0.000 0.279 688 T C -1.063 173.420 174.700 -0.361 0.000 0.998 688 T CA -0.263 61.686 62.100 -0.252 0.000 0.994 688 T CB 0.932 69.725 68.868 -0.125 0.000 0.960 688 T HN 0.472 nan 8.240 nan 0.000 0.448 689 Y N 0.674 120.969 120.300 -0.008 0.000 2.602 689 Y HA 0.571 5.111 4.550 -0.016 0.000 0.342 689 Y C 0.251 176.145 175.900 -0.010 0.000 1.029 689 Y CA -1.262 56.836 58.100 -0.004 0.000 1.080 689 Y CB 1.823 40.286 38.460 0.005 0.000 1.284 689 Y HN 0.625 nan 8.280 nan 0.000 0.485 690 E N 1.697 121.997 120.200 0.168 0.000 2.244 690 E HA 0.232 4.572 4.350 -0.016 0.000 0.260 690 E C -1.602 175.023 176.600 0.043 0.000 0.884 690 E CA -0.815 55.632 56.400 0.078 0.000 0.777 690 E CB 0.884 30.604 29.700 0.034 0.000 1.197 690 E HN 0.537 nan 8.360 nan 0.000 0.416 691 D N 3.812 124.223 120.400 0.018 0.000 2.443 691 D HA 0.159 4.789 4.640 -0.016 0.000 0.239 691 D C -0.104 176.151 176.300 -0.076 0.000 1.136 691 D CA 0.493 54.476 54.000 -0.028 0.000 0.879 691 D CB 0.863 41.648 40.800 -0.026 0.000 1.195 691 D HN 0.436 nan 8.370 nan 0.000 0.443 692 L N 3.001 124.131 121.223 -0.154 0.000 2.333 692 L HA 0.382 4.712 4.340 -0.016 0.000 0.269 692 L C -2.065 174.744 176.870 -0.103 0.000 1.010 692 L CA -1.951 52.752 54.840 -0.229 0.000 0.818 692 L CB 2.030 43.723 42.059 -0.609 0.000 1.306 692 L HN 0.169 nan 8.230 nan 0.000 0.430 693 P HA 0.137 nan 4.420 nan 0.000 0.266 693 P C -1.180 176.216 177.300 0.159 0.000 1.195 693 P CA -0.161 62.965 63.100 0.043 0.000 0.768 693 P CB 0.973 32.688 31.700 0.024 0.000 0.838 694 A N 3.612 126.489 122.820 0.095 0.000 2.374 694 A HA 0.704 5.014 4.320 -0.016 0.000 0.317 694 A C -0.411 177.167 177.584 -0.009 0.000 1.094 694 A CA -0.893 51.189 52.037 0.076 0.000 0.765 694 A CB 0.919 19.950 19.000 0.052 0.000 1.268 694 A HN 0.481 nan 8.150 nan 0.000 0.438 695 I N 2.698 123.230 120.570 -0.065 0.000 2.355 695 I HA 0.307 4.467 4.170 -0.016 0.000 0.288 695 I C -0.020 176.033 176.117 -0.105 0.000 0.999 695 I CA -0.001 61.242 61.300 -0.095 0.000 1.163 695 I CB 1.489 39.409 38.000 -0.134 0.000 1.316 695 I HN 0.684 nan 8.210 nan 0.000 0.454 696 I N 3.252 123.765 120.570 -0.094 0.000 3.443 696 I HA 0.028 4.189 4.170 -0.016 0.000 0.277 696 I C 1.257 177.308 176.117 -0.110 0.000 1.169 696 I CA 0.678 61.908 61.300 -0.117 0.000 1.419 696 I CB 0.393 38.326 38.000 -0.112 0.000 1.331 696 I HN 0.611 nan 8.210 nan 0.000 0.458 697 T N -1.651 112.857 114.554 -0.075 0.000 2.912 697 T HA 0.409 4.750 4.350 -0.016 0.000 0.280 697 T C 1.321 176.005 174.700 -0.028 0.000 0.989 697 T CA -0.492 61.582 62.100 -0.043 0.000 0.995 697 T CB 1.323 70.169 68.868 -0.037 0.000 1.077 697 T HN 0.034 nan 8.240 nan 0.000 0.531 698 I N 0.635 121.221 120.570 0.026 0.000 2.226 698 I HA -0.171 3.989 4.170 -0.016 0.000 0.245 698 I C 2.504 178.602 176.117 -0.032 0.000 1.100 698 I CA 1.483 62.804 61.300 0.036 0.000 1.374 698 I CB -0.427 37.653 38.000 0.132 0.000 1.057 698 I HN 0.727 nan 8.210 nan 0.000 0.413 699 E N 0.894 121.072 120.200 -0.038 0.000 2.077 699 E HA -0.224 4.116 4.350 -0.016 0.000 0.193 699 E C 1.746 178.302 176.600 -0.073 0.000 0.989 699 E CA 1.306 57.668 56.400 -0.063 0.000 0.800 699 E CB -0.299 29.373 29.700 -0.047 0.000 0.746 699 E HN 0.418 nan 8.360 nan 0.000 0.452 700 D N 0.418 120.776 120.400 -0.070 0.000 2.123 700 D HA -0.143 4.487 4.640 -0.016 0.000 0.196 700 D C 1.903 178.126 176.300 -0.128 0.000 0.992 700 D CA 1.584 55.533 54.000 -0.085 0.000 0.833 700 D CB -0.395 40.357 40.800 -0.079 0.000 0.954 700 D HN 0.233 nan 8.370 nan 0.000 0.455 701 A N 0.782 123.513 122.820 -0.149 0.000 1.902 701 A HA -0.134 4.176 4.320 -0.016 0.000 0.217 701 A C 2.398 179.786 177.584 -0.328 0.000 1.181 701 A CA 0.919 52.802 52.037 -0.256 0.000 0.623 701 A CB -0.725 18.144 19.000 -0.217 0.000 0.818 701 A HN 0.200 nan 8.150 nan 0.000 0.443 702 I N 0.280 120.751 120.570 -0.164 0.000 2.226 702 I HA -0.297 3.864 4.170 -0.016 0.000 0.245 702 I C 2.540 178.615 176.117 -0.071 0.000 1.100 702 I CA 1.979 63.245 61.300 -0.058 0.000 1.374 702 I CB -0.251 37.687 38.000 -0.103 0.000 1.057 702 I HN 0.528 nan 8.210 nan 0.000 0.413 703 K N 0.341 120.685 120.400 -0.093 0.000 2.296 703 K HA -0.043 4.267 4.320 -0.016 0.000 0.200 703 K C 1.285 177.836 176.600 -0.081 0.000 1.048 703 K CA 1.074 57.322 56.287 -0.065 0.000 0.966 703 K CB -0.128 32.341 32.500 -0.053 0.000 0.754 703 K HN 0.270 nan 8.250 nan 0.000 0.466 704 N N 1.297 119.916 118.700 -0.135 0.000 2.336 704 N HA -0.034 4.697 4.740 -0.016 0.000 0.189 704 N C -0.556 174.831 175.510 -0.205 0.000 1.113 704 N CA 0.218 53.181 53.050 -0.145 0.000 0.858 704 N CB 0.003 38.398 38.487 -0.153 0.000 0.970 704 N HN 0.261 nan 8.380 nan 0.000 0.471 705 N N 0.250 118.779 118.700 -0.285 0.000 2.738 705 N HA -0.180 4.550 4.740 -0.016 0.000 0.249 705 N C -1.108 173.972 175.510 -0.718 0.000 1.047 705 N CA 0.358 53.165 53.050 -0.405 0.000 0.707 705 N CB -0.922 37.533 38.487 -0.053 0.000 0.937 705 N HN -0.025 nan 8.380 nan 0.000 0.545 706 S N 1.151 116.232 115.700 -1.031 0.000 2.512 706 S HA 0.619 5.079 4.470 -0.016 0.000 0.291 706 S C -0.803 173.288 174.600 -0.848 0.000 1.151 706 S CA -0.501 57.256 58.200 -0.738 0.000 1.120 706 S CB -0.112 62.804 63.200 -0.474 0.000 1.029 706 S HN 0.301 nan 8.310 nan 0.000 0.485 707 F N 2.521 122.358 119.950 -0.189 0.000 2.588 707 F HA 0.475 4.992 4.527 -0.016 0.000 0.314 707 F C -0.687 174.964 175.800 -0.249 0.000 1.069 707 F CA -1.308 56.582 58.000 -0.184 0.000 0.931 707 F CB 1.323 40.291 39.000 -0.052 0.000 1.260 707 F HN 0.302 nan 8.300 nan 0.000 0.465 708 Y N 1.256 121.668 120.300 0.186 0.000 2.350 708 Y HA 0.502 5.043 4.550 -0.016 0.000 0.340 708 Y C 0.887 176.817 175.900 0.050 0.000 1.006 708 Y CA -0.016 58.129 58.100 0.075 0.000 1.166 708 Y CB 0.927 39.401 38.460 0.023 0.000 1.168 708 Y HN 0.916 nan 8.280 nan 0.000 0.502 709 G N 2.094 110.994 108.800 0.167 0.000 2.692 709 G HA2 -0.169 3.782 3.960 -0.016 0.000 0.248 709 G HA3 -0.169 3.782 3.960 -0.016 0.000 0.248 709 G C -0.363 174.567 174.900 0.049 0.000 1.340 709 G CA -0.254 44.892 45.100 0.077 0.000 0.896 709 G HN 1.037 nan 8.290 nan 0.000 0.570 710 S N -1.162 114.539 115.700 0.002 0.000 2.648 710 S HA 0.665 5.126 4.470 -0.016 0.000 0.305 710 S C 0.026 174.567 174.600 -0.098 0.000 1.094 710 S CA 0.376 58.550 58.200 -0.044 0.000 0.983 710 S CB 2.086 65.269 63.200 -0.027 0.000 1.101 710 S HN 1.199 nan 8.310 nan 0.000 0.514 711 E N 0.399 120.514 120.200 -0.142 0.000 2.708 711 E HA -0.016 4.325 4.350 -0.016 0.000 0.260 711 E C -0.985 175.522 176.600 -0.154 0.000 0.937 711 E CA 0.201 56.498 56.400 -0.172 0.000 0.953 711 E CB 0.169 29.781 29.700 -0.146 0.000 0.915 711 E HN 0.524 nan 8.360 nan 0.000 0.487 712 L N 4.682 125.786 121.223 -0.198 0.000 2.343 712 L HA 0.464 4.794 4.340 -0.016 0.000 0.275 712 L C 0.118 176.916 176.870 -0.121 0.000 1.056 712 L CA -0.373 54.326 54.840 -0.236 0.000 0.804 712 L CB 1.330 43.169 42.059 -0.366 0.000 1.203 712 L HN 0.532 nan 8.230 nan 0.000 0.440 713 K N 3.215 123.595 120.400 -0.033 0.000 2.523 713 K HA 0.653 4.963 4.320 -0.016 0.000 0.257 713 K C -1.710 175.053 176.600 0.271 0.000 0.932 713 K CA -0.561 55.787 56.287 0.101 0.000 0.812 713 K CB 2.171 34.718 32.500 0.079 0.000 1.326 713 K HN 0.457 nan 8.250 nan 0.000 0.433 714 I N 2.288 123.008 120.570 0.250 0.000 2.499 714 I HA 0.346 4.506 4.170 -0.016 0.000 0.288 714 I C -1.091 175.170 176.117 0.241 0.000 1.048 714 I CA -0.645 60.827 61.300 0.285 0.000 1.062 714 I CB 2.204 40.390 38.000 0.310 0.000 1.238 714 I HN 0.638 nan 8.210 nan 0.000 0.426 715 E N 6.303 126.628 120.200 0.209 0.000 2.278 715 E HA 0.450 4.791 4.350 -0.016 0.000 0.272 715 E C -1.585 175.100 176.600 0.140 0.000 0.890 715 E CA -0.789 55.708 56.400 0.162 0.000 0.770 715 E CB 2.531 32.305 29.700 0.123 0.000 1.212 715 E HN 0.547 nan 8.360 nan 0.000 0.415 716 K N 3.225 123.700 120.400 0.125 0.000 2.422 716 K HA 0.670 4.980 4.320 -0.016 0.000 0.251 716 K C 0.012 176.644 176.600 0.054 0.000 0.933 716 K CA 0.217 56.561 56.287 0.094 0.000 0.798 716 K CB 1.621 34.190 32.500 0.115 0.000 1.238 716 K HN 0.729 nan 8.250 nan 0.000 0.428 717 G N 2.322 111.143 108.800 0.035 0.000 2.562 717 G HA2 -0.240 3.710 3.960 -0.016 0.000 0.250 717 G HA3 -0.240 3.710 3.960 -0.016 0.000 0.250 717 G C -1.208 173.699 174.900 0.012 0.000 1.269 717 G CA 0.125 45.232 45.100 0.011 0.000 0.919 717 G HN 0.689 nan 8.290 nan 0.000 0.574 718 D N 0.084 120.482 120.400 -0.004 0.000 2.471 718 D HA 0.592 5.223 4.640 -0.016 0.000 0.245 718 D C 1.470 177.771 176.300 0.001 0.000 1.116 718 D CA -0.513 53.490 54.000 0.006 0.000 0.853 718 D CB 1.207 42.008 40.800 0.001 0.000 1.123 718 D HN 0.306 nan 8.370 nan 0.000 0.540 719 L N 2.650 123.899 121.223 0.044 0.000 2.007 719 L HA 0.045 4.375 4.340 -0.016 0.000 0.205 719 L C 1.146 178.142 176.870 0.209 0.000 1.073 719 L CA 0.808 55.710 54.840 0.103 0.000 0.744 719 L CB -0.271 41.906 42.059 0.196 0.000 0.898 719 L HN 0.224 nan 8.230 nan 0.000 0.435 720 K N 1.194 121.702 120.400 0.180 0.000 2.530 720 K HA -0.143 4.167 4.320 -0.016 0.000 0.280 720 K C 0.556 177.202 176.600 0.076 0.000 1.004 720 K CA 0.708 57.076 56.287 0.134 0.000 1.071 720 K CB 0.428 32.971 32.500 0.071 0.000 0.876 720 K HN 0.168 nan 8.250 nan 0.000 0.487 721 K N 0.687 121.125 120.400 0.064 0.000 4.172 721 K HA -0.189 4.122 4.320 -0.016 0.000 0.452 721 K C 1.564 178.146 176.600 -0.030 0.000 0.345 721 K CA 0.925 57.218 56.287 0.012 0.000 1.972 721 K CB -1.789 30.710 32.500 -0.001 0.000 0.527 721 K HN 0.777 nan 8.250 nan 0.000 0.498 722 G N 0.647 109.399 108.800 -0.080 0.000 2.514 722 G HA2 -0.214 3.736 3.960 -0.016 0.000 0.217 722 G HA3 -0.214 3.736 3.960 -0.016 0.000 0.217 722 G C 1.250 175.998 174.900 -0.252 0.000 1.198 722 G CA 1.498 46.469 45.100 -0.216 0.000 0.780 722 G HN 0.293 nan 8.290 nan 0.000 0.565 723 F N 1.855 121.773 119.950 -0.053 0.000 2.171 723 F HA -0.085 4.432 4.527 -0.017 0.000 0.300 723 F C 3.172 178.933 175.800 -0.064 0.000 1.090 723 F CA 1.485 59.446 58.000 -0.065 0.000 1.293 723 F CB -0.115 38.849 39.000 -0.060 0.000 1.013 723 F HN 0.276 nan 8.300 nan 0.000 0.486 724 S N 0.026 115.792 115.700 0.110 0.000 2.515 724 S HA -0.168 4.292 4.470 -0.016 0.000 0.231 724 S C 1.423 176.028 174.600 0.008 0.000 0.987 724 S CA 1.098 59.328 58.200 0.051 0.000 0.936 724 S CB -0.643 62.578 63.200 0.036 0.000 0.766 724 S HN 0.717 nan 8.310 nan 0.000 0.528 725 E N 0.619 120.810 120.200 -0.016 0.000 2.526 725 E HA 0.469 4.809 4.350 -0.016 0.000 0.208 725 E C 0.567 177.134 176.600 -0.055 0.000 0.997 725 E CA -0.063 56.316 56.400 -0.035 0.000 0.961 725 E CB 0.141 29.817 29.700 -0.040 0.000 1.030 725 E HN 0.489 nan 8.360 nan 0.000 0.483 726 A N 1.650 124.429 122.820 -0.068 0.000 2.498 726 A HA 0.005 4.315 4.320 -0.016 0.000 0.239 726 A C 0.518 178.035 177.584 -0.113 0.000 1.068 726 A CA 0.011 51.986 52.037 -0.105 0.000 0.766 726 A CB 0.311 19.237 19.000 -0.123 0.000 1.003 726 A HN 0.164 nan 8.150 nan 0.000 0.497 727 D N 0.645 120.958 120.400 -0.145 0.000 2.149 727 D HA -0.017 4.614 4.640 -0.016 0.000 0.201 727 D C 0.070 176.235 176.300 -0.224 0.000 0.972 727 D CA 1.282 55.196 54.000 -0.144 0.000 0.835 727 D CB 0.131 40.868 40.800 -0.106 0.000 0.966 727 D HN 0.563 nan 8.370 nan 0.000 0.476 728 N N -0.436 117.998 118.700 -0.443 0.000 2.329 728 N HA 0.356 5.087 4.740 -0.016 0.000 0.282 728 N C -1.248 173.834 175.510 -0.713 0.000 1.198 728 N CA -0.408 52.273 53.050 -0.615 0.000 0.790 728 N CB 3.340 41.273 38.487 -0.923 0.000 1.579 728 N HN -0.264 nan 8.380 nan 0.000 0.475 729 V N 1.058 120.755 119.914 -0.362 0.000 2.876 729 V HA 0.627 4.738 4.120 -0.016 0.000 0.312 729 V C -0.578 175.530 176.094 0.024 0.000 1.085 729 V CA -0.663 61.569 62.300 -0.113 0.000 0.945 729 V CB 2.469 34.275 31.823 -0.028 0.000 1.017 729 V HN 0.368 nan 8.190 nan 0.000 0.428 730 V N 2.767 122.782 119.914 0.170 0.000 2.808 730 V HA 0.822 4.933 4.120 -0.016 0.000 0.308 730 V C -0.419 175.720 176.094 0.074 0.000 1.099 730 V CA -0.287 62.120 62.300 0.177 0.000 0.920 730 V CB 2.412 34.439 31.823 0.340 0.000 1.014 730 V HN 1.078 nan 8.190 nan 0.000 0.425 731 S N 2.321 117.979 115.700 -0.070 0.000 2.651 731 S HA 1.045 5.506 4.470 -0.016 0.000 0.279 731 S C -0.351 173.973 174.600 -0.460 0.000 1.148 731 S CA -0.048 57.958 58.200 -0.324 0.000 0.837 731 S CB 2.435 65.497 63.200 -0.231 0.000 1.138 731 S HN 1.832 nan 8.310 nan 0.000 0.478 732 G N -0.145 108.158 108.800 -0.829 0.000 2.335 732 G HA2 0.499 4.449 3.960 -0.016 0.000 0.291 732 G HA3 0.499 4.449 3.960 -0.016 0.000 0.291 732 G C -2.150 172.548 174.900 -0.337 0.000 1.261 732 G CA -0.580 44.222 45.100 -0.497 0.000 0.871 732 G HN 0.896 nan 8.290 nan 0.000 0.491 733 E N -1.155 119.134 120.200 0.148 0.000 2.343 733 E HA 0.625 4.965 4.350 -0.016 0.000 0.278 733 E C -2.118 174.724 176.600 0.403 0.000 0.910 733 E CA -0.728 55.854 56.400 0.303 0.000 0.757 733 E CB 2.697 32.502 29.700 0.175 0.000 1.218 733 E HN 0.555 nan 8.360 nan 0.000 0.435 734 L N 3.835 125.305 121.223 0.412 0.000 2.482 734 L HA 0.516 4.847 4.340 -0.016 0.000 0.263 734 L C -2.098 175.026 176.870 0.423 0.000 0.957 734 L CA -0.563 54.505 54.840 0.380 0.000 0.836 734 L CB 1.727 43.957 42.059 0.286 0.000 1.324 734 L HN 0.621 nan 8.230 nan 0.000 0.406 735 Y N 4.998 125.466 120.300 0.279 0.000 2.446 735 Y HA 0.749 5.289 4.550 -0.017 0.000 0.345 735 Y C -1.290 174.757 175.900 0.247 0.000 0.984 735 Y CA -0.891 57.365 58.100 0.259 0.000 1.058 735 Y CB 1.769 40.353 38.460 0.206 0.000 1.220 735 Y HN 0.626 nan 8.280 nan 0.000 0.455 736 I N 5.456 125.772 120.570 -0.424 0.000 2.468 736 I HA 0.601 4.761 4.170 -0.016 0.000 0.285 736 I C -0.012 175.769 176.117 -0.561 0.000 1.039 736 I CA -0.568 60.529 61.300 -0.339 0.000 1.074 736 I CB 0.940 38.826 38.000 -0.190 0.000 1.228 736 I HN 0.856 nan 8.210 nan 0.000 0.436 737 G N 4.586 113.236 108.800 -0.250 0.000 2.614 737 G HA2 0.390 4.340 3.960 -0.016 0.000 0.239 737 G HA3 0.390 4.340 3.960 -0.016 0.000 0.239 737 G C 0.473 175.343 174.900 -0.050 0.000 1.240 737 G CA 0.142 45.235 45.100 -0.013 0.000 0.842 737 G HN 0.861 nan 8.290 nan 0.000 0.584 738 G N -1.154 107.678 108.800 0.053 0.000 2.486 738 G HA2 0.471 4.421 3.960 -0.016 0.000 0.272 738 G HA3 0.471 4.421 3.960 -0.016 0.000 0.272 738 G C -0.126 174.763 174.900 -0.018 0.000 1.426 738 G CA -0.101 45.017 45.100 0.031 0.000 1.058 738 G HN 0.755 nan 8.290 nan 0.000 0.531 739 Q N -1.489 118.300 119.800 -0.019 0.000 2.438 739 Q HA 0.257 4.587 4.340 -0.016 0.000 0.272 739 Q C -2.182 173.884 176.000 0.110 0.000 0.994 739 Q CA -0.637 55.159 55.803 -0.013 0.000 0.887 739 Q CB 2.286 30.782 28.738 -0.402 0.000 1.432 739 Q HN 0.614 nan 8.270 nan 0.000 0.392 740 D N -0.145 120.338 120.400 0.137 0.000 2.175 740 D HA 0.236 4.866 4.640 -0.016 0.000 0.248 740 D C 0.500 176.892 176.300 0.154 0.000 1.047 740 D CA -0.055 53.951 54.000 0.011 0.000 0.883 740 D CB 0.938 41.551 40.800 -0.311 0.000 1.180 740 D HN 0.586 nan 8.370 nan 0.000 0.438 741 H N 2.836 121.880 119.070 -0.043 0.000 2.387 741 H HA -0.031 4.516 4.556 -0.015 0.000 0.299 741 H C 0.518 175.675 175.328 -0.285 0.000 1.099 741 H CA 1.054 56.829 56.048 -0.456 0.000 1.315 741 H CB -0.232 29.051 29.762 -0.799 0.000 1.380 741 H HN 0.510 nan 8.280 nan 0.000 0.513 742 F N 0.602 120.336 119.950 -0.360 0.000 3.019 742 F HA -0.288 4.230 4.527 -0.015 0.000 0.259 742 F C -0.635 175.121 175.800 -0.073 0.000 0.976 742 F CA -0.486 57.401 58.000 -0.189 0.000 0.876 742 F CB -1.661 37.345 39.000 0.010 0.000 0.784 742 F HN 0.146 nan 8.300 nan 0.000 0.786 743 Y N -0.624 119.841 120.300 0.276 0.000 2.717 743 Y HA 0.064 4.605 4.550 -0.015 0.000 0.330 743 Y C 1.187 177.154 175.900 0.111 0.000 1.217 743 Y CA -1.108 57.175 58.100 0.305 0.000 1.506 743 Y CB 0.001 38.533 38.460 0.120 0.000 1.268 743 Y HN 0.074 nan 8.280 nan 0.000 0.561 744 L N 1.139 122.550 121.223 0.313 0.000 2.127 744 L HA -0.124 4.207 4.340 -0.016 0.000 0.211 744 L C 1.140 178.046 176.870 0.060 0.000 1.089 744 L CA 1.530 56.468 54.840 0.163 0.000 0.757 744 L CB -0.552 41.587 42.059 0.133 0.000 0.899 744 L HN 0.856 nan 8.230 nan 0.000 0.434 745 E N 0.727 120.943 120.200 0.026 0.000 2.167 745 E HA 0.151 4.492 4.350 -0.016 0.000 0.284 745 E C -0.071 176.458 176.600 -0.118 0.000 1.016 745 E CA -0.304 56.049 56.400 -0.078 0.000 0.817 745 E CB 1.120 30.724 29.700 -0.160 0.000 1.080 745 E HN 0.226 nan 8.360 nan 0.000 0.397 746 T N 1.525 116.029 114.554 -0.083 0.000 2.754 746 T HA 0.115 4.456 4.350 -0.016 0.000 0.286 746 T C 0.644 175.182 174.700 -0.271 0.000 0.997 746 T CA -0.582 61.449 62.100 -0.116 0.000 0.982 746 T CB 0.408 69.301 68.868 0.043 0.000 1.027 746 T HN 0.446 nan 8.240 nan 0.000 0.529 747 H N -1.052 117.907 119.070 -0.185 0.000 2.998 747 H HA 0.276 4.823 4.556 -0.016 0.000 0.353 747 H C 0.072 175.366 175.328 -0.057 0.000 1.099 747 H CA 0.283 56.246 56.048 -0.141 0.000 1.393 747 H CB 0.341 30.057 29.762 -0.077 0.000 1.343 747 H HN 0.752 nan 8.280 nan 0.000 0.609 748 C N 2.631 121.978 119.300 0.078 0.000 3.135 748 C HA 0.273 4.723 4.460 -0.016 0.000 0.428 748 C C -0.760 174.270 174.990 0.067 0.000 0.972 748 C CA -0.298 58.757 59.018 0.061 0.000 1.218 748 C CB 0.552 28.308 27.740 0.026 0.000 1.595 748 C HN 0.895 nan 8.230 nan 0.000 0.576 749 T N 6.186 120.786 114.554 0.078 0.000 2.912 749 T HA 0.677 5.017 4.350 -0.016 0.000 0.299 749 T C -0.946 173.809 174.700 0.093 0.000 1.052 749 T CA -0.325 61.825 62.100 0.082 0.000 0.996 749 T CB 1.387 70.293 68.868 0.063 0.000 1.070 749 T HN 0.584 nan 8.240 nan 0.000 0.465 750 I N 1.914 122.567 120.570 0.138 0.000 2.509 750 I HA 0.729 4.889 4.170 -0.016 0.000 0.293 750 I C -0.257 175.956 176.117 0.160 0.000 1.020 750 I CA -1.036 60.358 61.300 0.156 0.000 1.088 750 I CB 1.829 39.968 38.000 0.231 0.000 1.267 750 I HN 0.703 nan 8.210 nan 0.000 0.430 751 A N 7.404 130.291 122.820 0.110 0.000 2.343 751 A HA 0.839 5.149 4.320 -0.016 0.000 0.308 751 A C -0.839 176.796 177.584 0.086 0.000 1.092 751 A CA -0.389 51.692 52.037 0.073 0.000 0.751 751 A CB 0.761 19.789 19.000 0.046 0.000 1.203 751 A HN 0.663 nan 8.150 nan 0.000 0.452 752 I N 4.638 125.252 120.570 0.074 0.000 2.420 752 I HA 0.326 4.487 4.170 -0.016 0.000 0.282 752 I C -2.341 173.778 176.117 0.003 0.000 1.019 752 I CA -2.008 59.328 61.300 0.060 0.000 1.130 752 I CB 2.294 40.380 38.000 0.144 0.000 1.262 752 I HN 0.408 nan 8.210 nan 0.000 0.454 753 P HA 0.191 nan 4.420 nan 0.000 0.281 753 P C -0.241 177.029 177.300 -0.050 0.000 1.252 753 P CA -0.508 62.583 63.100 -0.014 0.000 0.778 753 P CB 1.404 33.102 31.700 -0.003 0.000 0.895 754 K N 2.259 122.637 120.400 -0.037 0.000 2.305 754 K HA 0.079 4.389 4.320 -0.016 0.000 0.199 754 K C 1.521 178.090 176.600 -0.052 0.000 1.047 754 K CA 0.944 57.201 56.287 -0.050 0.000 0.976 754 K CB -0.700 31.780 32.500 -0.033 0.000 0.765 754 K HN 0.821 nan 8.250 nan 0.000 0.474 755 G N 1.664 110.440 108.800 -0.039 0.000 2.176 755 G HA2 -0.263 3.688 3.960 -0.016 0.000 0.253 755 G HA3 -0.263 3.688 3.960 -0.016 0.000 0.253 755 G C -0.257 174.628 174.900 -0.025 0.000 0.979 755 G CA 0.113 45.189 45.100 -0.041 0.000 0.641 755 G HN 0.381 nan 8.290 nan 0.000 0.530 756 E N 0.429 120.619 120.200 -0.016 0.000 2.165 756 E HA 0.472 4.813 4.350 -0.016 0.000 0.266 756 E C 0.357 176.958 176.600 0.002 0.000 0.889 756 E CA -0.733 55.662 56.400 -0.008 0.000 0.756 756 E CB 0.825 30.518 29.700 -0.012 0.000 1.131 756 E HN 0.196 nan 8.360 nan 0.000 0.411 757 E N 1.596 121.801 120.200 0.008 0.000 2.883 757 E HA -0.290 4.050 4.350 -0.016 0.000 0.271 757 E C 0.735 177.348 176.600 0.022 0.000 1.049 757 E CA 1.123 57.530 56.400 0.013 0.000 0.817 757 E CB -1.395 28.308 29.700 0.005 0.000 1.407 757 E HN 1.130 nan 8.360 nan 0.000 0.434 758 G N 0.120 108.943 108.800 0.038 0.000 2.184 758 G HA2 -0.374 3.576 3.960 -0.016 0.000 0.264 758 G HA3 -0.374 3.576 3.960 -0.016 0.000 0.264 758 G C 0.136 175.057 174.900 0.035 0.000 0.975 758 G CA 0.586 45.720 45.100 0.056 0.000 0.642 758 G HN 0.384 nan 8.290 nan 0.000 0.536 759 E N -0.044 120.165 120.200 0.016 0.000 2.608 759 E HA 0.324 4.664 4.350 -0.016 0.000 0.259 759 E C 0.361 176.962 176.600 0.001 0.000 0.951 759 E CA 0.736 57.137 56.400 0.001 0.000 0.945 759 E CB 0.365 30.060 29.700 -0.007 0.000 0.916 759 E HN 0.481 nan 8.360 nan 0.000 0.477 760 M N 2.661 122.254 119.600 -0.011 0.000 2.371 760 M HA 0.211 4.682 4.480 -0.016 0.000 0.287 760 M C -1.528 174.739 176.300 -0.055 0.000 1.149 760 M CA -0.452 54.837 55.300 -0.019 0.000 0.929 760 M CB 2.159 34.760 32.600 0.001 0.000 1.683 760 M HN 0.423 nan 8.290 nan 0.000 0.470 761 E N 3.815 123.968 120.200 -0.079 0.000 2.176 761 E HA 0.643 4.983 4.350 -0.016 0.000 0.267 761 E C -2.071 174.373 176.600 -0.260 0.000 0.893 761 E CA -0.622 55.670 56.400 -0.180 0.000 0.761 761 E CB 1.537 31.127 29.700 -0.183 0.000 1.133 761 E HN 0.582 nan 8.360 nan 0.000 0.409 762 L N 4.311 125.326 121.223 -0.348 0.000 2.365 762 L HA 0.494 4.824 4.340 -0.016 0.000 0.273 762 L C -1.112 175.486 176.870 -0.454 0.000 1.000 762 L CA -0.489 54.182 54.840 -0.281 0.000 0.819 762 L CB 1.316 43.310 42.059 -0.109 0.000 1.284 762 L HN 0.508 nan 8.230 nan 0.000 0.418 763 F N 2.992 122.949 119.950 0.012 0.000 2.411 763 F HA 0.724 5.242 4.527 -0.016 0.000 0.352 763 F C 0.098 175.898 175.800 0.000 0.000 1.123 763 F CA -0.947 57.056 58.000 0.003 0.000 1.044 763 F CB 1.794 40.798 39.000 0.006 0.000 1.135 763 F HN 0.201 nan 8.300 nan 0.000 0.461 764 V N 1.635 121.623 119.914 0.122 0.000 2.888 764 V HA 0.542 4.652 4.120 -0.016 0.000 0.309 764 V C -0.838 175.273 176.094 0.027 0.000 1.114 764 V CA -0.499 61.839 62.300 0.063 0.000 0.940 764 V CB 2.212 34.052 31.823 0.028 0.000 1.021 764 V HN 0.635 nan 8.190 nan 0.000 0.426 765 S N 4.095 119.796 115.700 0.002 0.000 3.036 765 S HA 0.563 5.024 4.470 -0.016 0.000 0.301 765 S C -0.160 174.382 174.600 -0.096 0.000 1.205 765 S CA 0.431 58.596 58.200 -0.058 0.000 0.999 765 S CB -0.814 62.324 63.200 -0.104 0.000 1.337 765 S HN 1.244 nan 8.310 nan 0.000 0.515 766 T N 2.898 117.407 114.554 -0.075 0.000 2.894 766 T HA 0.344 4.685 4.350 -0.016 0.000 0.309 766 T C 0.144 174.803 174.700 -0.068 0.000 1.208 766 T CA -0.536 61.522 62.100 -0.070 0.000 1.016 766 T CB 1.617 70.462 68.868 -0.039 0.000 1.192 766 T HN 0.486 nan 8.240 nan 0.000 0.491 767 Q N 1.576 121.340 119.800 -0.059 0.000 2.360 767 Q HA 0.267 4.597 4.340 -0.016 0.000 0.202 767 Q C 0.175 176.166 176.000 -0.015 0.000 0.915 767 Q CA 0.000 55.782 55.803 -0.036 0.000 0.943 767 Q CB 0.325 29.052 28.738 -0.019 0.000 1.064 767 Q HN 0.326 nan 8.270 nan 0.000 0.511 768 N N -0.033 118.646 118.700 -0.035 0.000 2.752 768 N HA 0.261 4.992 4.740 -0.016 0.000 0.260 768 N C -0.211 175.252 175.510 -0.078 0.000 1.562 768 N CA -0.012 53.009 53.050 -0.049 0.000 0.788 768 N CB 0.933 39.381 38.487 -0.065 0.000 1.192 768 N HN 0.106 nan 8.380 nan 0.000 0.503 769 A N 2.712 125.495 122.820 -0.061 0.000 1.933 769 A HA -0.153 4.157 4.320 -0.016 0.000 0.218 769 A C 2.180 179.716 177.584 -0.081 0.000 1.175 769 A CA 0.991 52.988 52.037 -0.067 0.000 0.628 769 A CB -0.290 18.677 19.000 -0.056 0.000 0.814 769 A HN 0.625 nan 8.150 nan 0.000 0.444 770 M N -0.687 118.868 119.600 -0.074 0.000 2.082 770 M HA -0.194 4.277 4.480 -0.016 0.000 0.258 770 M C 1.829 178.040 176.300 -0.149 0.000 1.071 770 M CA 1.931 57.182 55.300 -0.082 0.000 1.103 770 M CB -0.261 32.306 32.600 -0.055 0.000 1.307 770 M HN 0.221 nan 8.290 nan 0.000 0.409 771 K N -0.672 119.584 120.400 -0.240 0.000 2.288 771 K HA -0.041 4.269 4.320 -0.016 0.000 0.201 771 K C 1.767 178.061 176.600 -0.509 0.000 1.048 771 K CA 1.448 57.440 56.287 -0.491 0.000 0.956 771 K CB -0.532 31.537 32.500 -0.719 0.000 0.746 771 K HN 0.454 nan 8.250 nan 0.000 0.461 772 T N 1.650 116.040 114.554 -0.274 0.000 2.746 772 T HA -0.198 4.142 4.350 -0.016 0.000 0.267 772 T C 1.904 176.555 174.700 -0.083 0.000 1.039 772 T CA 1.414 63.422 62.100 -0.153 0.000 1.142 772 T CB -0.043 68.771 68.868 -0.090 0.000 0.866 772 T HN 0.375 nan 8.240 nan 0.000 0.444 773 Q N 0.411 120.160 119.800 -0.086 0.000 2.123 773 Q HA -0.064 4.266 4.340 -0.016 0.000 0.199 773 Q C 2.416 178.409 176.000 -0.011 0.000 0.966 773 Q CA 1.231 57.006 55.803 -0.047 0.000 0.845 773 Q CB -0.133 28.574 28.738 -0.052 0.000 0.907 773 Q HN 0.367 nan 8.270 nan 0.000 0.439 774 S N 0.028 115.720 115.700 -0.014 0.000 2.355 774 S HA -0.060 4.401 4.470 -0.016 0.000 0.222 774 S C 1.457 176.189 174.600 0.221 0.000 1.031 774 S CA 0.832 59.076 58.200 0.074 0.000 0.993 774 S CB -0.204 63.039 63.200 0.071 0.000 0.859 774 S HN 0.384 nan 8.310 nan 0.000 0.453 775 F N 1.294 121.213 119.950 -0.051 0.000 2.259 775 F HA 0.027 4.545 4.527 -0.016 0.000 0.298 775 F C 2.310 178.069 175.800 -0.069 0.000 1.088 775 F CA -0.134 57.830 58.000 -0.059 0.000 1.358 775 F CB -1.250 37.717 39.000 -0.056 0.000 1.040 775 F HN 0.015 nan 8.300 nan 0.000 0.505 776 V N -0.050 119.938 119.914 0.123 0.000 2.358 776 V HA -0.253 3.858 4.120 -0.016 0.000 0.246 776 V C 2.641 178.732 176.094 -0.006 0.000 1.047 776 V CA 1.666 63.984 62.300 0.029 0.000 1.035 776 V CB -1.381 30.448 31.823 0.010 0.000 0.658 776 V HN 0.297 nan 8.190 nan 0.000 0.452 777 A N -0.250 122.575 122.820 0.009 0.000 1.902 777 A HA -0.255 4.055 4.320 -0.016 0.000 0.217 777 A C 2.343 179.909 177.584 -0.029 0.000 1.181 777 A CA 2.154 54.182 52.037 -0.014 0.000 0.623 777 A CB -0.468 18.530 19.000 -0.004 0.000 0.818 777 A HN 0.519 nan 8.150 nan 0.000 0.443 778 K N -0.993 119.400 120.400 -0.011 0.000 2.057 778 K HA -0.142 4.168 4.320 -0.016 0.000 0.207 778 K C 2.157 178.709 176.600 -0.080 0.000 1.049 778 K CA 1.626 57.887 56.287 -0.043 0.000 0.931 778 K CB -0.224 32.246 32.500 -0.049 0.000 0.714 778 K HN 0.465 nan 8.250 nan 0.000 0.440 779 M N 1.122 120.669 119.600 -0.088 0.000 2.099 779 M HA -0.126 4.345 4.480 -0.016 0.000 0.262 779 M C 1.799 178.007 176.300 -0.154 0.000 1.067 779 M CA 1.528 56.755 55.300 -0.121 0.000 1.124 779 M CB -0.460 32.063 32.600 -0.128 0.000 1.353 779 M HN 0.222 nan 8.290 nan 0.000 0.410 780 L N 0.487 121.610 121.223 -0.166 0.000 2.191 780 L HA -0.071 4.260 4.340 -0.016 0.000 0.212 780 L C 1.286 178.035 176.870 -0.201 0.000 1.103 780 L CA 0.913 55.604 54.840 -0.249 0.000 0.769 780 L CB -1.103 40.838 42.059 -0.196 0.000 0.908 780 L HN 0.696 nan 8.230 nan 0.000 0.438 781 G N 0.351 109.078 108.800 -0.121 0.000 2.291 781 G HA2 -0.183 3.768 3.960 -0.016 0.000 0.271 781 G HA3 -0.183 3.768 3.960 -0.016 0.000 0.271 781 G C -0.449 174.415 174.900 -0.061 0.000 1.099 781 G CA 0.075 45.124 45.100 -0.084 0.000 0.919 781 G HN 0.116 nan 8.290 nan 0.000 0.496 782 V N 0.204 120.088 119.914 -0.051 0.000 2.932 782 V HA 0.630 4.740 4.120 -0.016 0.000 0.307 782 V C -2.142 173.938 176.094 -0.024 0.000 1.147 782 V CA -1.641 60.639 62.300 -0.033 0.000 0.951 782 V CB 2.630 34.432 31.823 -0.035 0.000 1.031 782 V HN 0.191 nan 8.190 nan 0.000 0.426 783 P HA 0.113 nan 4.420 nan 0.000 0.268 783 P C 0.938 178.230 177.300 -0.014 0.000 1.205 783 P CA 0.041 63.132 63.100 -0.015 0.000 0.771 783 P CB 0.700 32.393 31.700 -0.013 0.000 0.858 784 V N 2.020 121.926 119.914 -0.013 0.000 2.527 784 V HA -0.289 3.822 4.120 -0.016 0.000 0.255 784 V C 1.919 178.004 176.094 -0.016 0.000 1.081 784 V CA 2.354 64.646 62.300 -0.013 0.000 1.092 784 V CB -1.389 30.427 31.823 -0.012 0.000 0.673 784 V HN 0.711 nan 8.190 nan 0.000 0.470 785 N N 0.336 119.027 118.700 -0.015 0.000 2.550 785 N HA -0.149 4.582 4.740 -0.016 0.000 0.186 785 N C 1.547 177.048 175.510 -0.015 0.000 1.110 785 N CA 0.798 53.840 53.050 -0.014 0.000 0.912 785 N CB -0.329 38.151 38.487 -0.012 0.000 0.968 785 N HN 0.282 nan 8.380 nan 0.000 0.448 786 R N -0.060 120.431 120.500 -0.014 0.000 2.280 786 R HA 0.243 4.574 4.340 -0.016 0.000 0.195 786 R C -0.072 176.217 176.300 -0.020 0.000 0.935 786 R CA 0.023 56.115 56.100 -0.013 0.000 1.033 786 R CB 0.169 30.464 30.300 -0.007 0.000 0.964 786 R HN 0.271 nan 8.270 nan 0.000 0.489 787 I N 1.872 122.426 120.570 -0.025 0.000 2.354 787 I HA 0.242 4.403 4.170 -0.016 0.000 0.292 787 I C -0.307 175.780 176.117 -0.050 0.000 0.989 787 I CA -1.605 59.674 61.300 -0.036 0.000 1.188 787 I CB 1.285 39.266 38.000 -0.031 0.000 1.342 787 I HN -0.173 nan 8.210 nan 0.000 0.457 788 L N 8.436 129.616 121.223 -0.072 0.000 2.287 788 L HA 0.578 4.909 4.340 -0.016 0.000 0.287 788 L C -0.685 176.101 176.870 -0.140 0.000 1.022 788 L CA -0.342 54.442 54.840 -0.094 0.000 0.814 788 L CB 1.590 43.590 42.059 -0.098 0.000 1.217 788 L HN 0.296 nan 8.230 nan 0.000 0.420 789 V N 6.032 125.872 119.914 -0.123 0.000 2.409 789 V HA 0.629 4.740 4.120 -0.016 0.000 0.291 789 V C -0.155 175.863 176.094 -0.127 0.000 1.020 789 V CA -0.641 61.578 62.300 -0.136 0.000 0.848 789 V CB 1.539 33.307 31.823 -0.092 0.000 0.990 789 V HN 0.726 nan 8.190 nan 0.000 0.430 790 R N 3.344 123.749 120.500 -0.158 0.000 2.621 790 R HA 0.866 5.197 4.340 -0.016 0.000 0.292 790 R C -1.666 174.633 176.300 -0.003 0.000 0.969 790 R CA -0.798 55.250 56.100 -0.086 0.000 0.887 790 R CB 2.665 32.902 30.300 -0.106 0.000 1.180 790 R HN 0.465 nan 8.270 nan 0.000 0.450 791 V N 2.959 122.878 119.914 0.009 0.000 2.532 791 V HA 0.166 4.277 4.120 -0.016 0.000 0.294 791 V C 0.404 176.506 176.094 0.013 0.000 1.036 791 V CA -0.664 61.646 62.300 0.016 0.000 0.876 791 V CB 1.610 33.421 31.823 -0.021 0.000 1.012 791 V HN 0.818 nan 8.190 nan 0.000 0.432 792 K N 4.040 124.454 120.400 0.024 0.000 2.099 792 K HA 0.263 4.573 4.320 -0.016 0.000 0.203 792 K C 0.706 177.296 176.600 -0.017 0.000 1.047 792 K CA 0.767 57.053 56.287 -0.002 0.000 0.963 792 K CB 0.432 32.921 32.500 -0.019 0.000 0.759 792 K HN 0.781 nan 8.250 nan 0.000 0.451 793 R N -1.002 119.468 120.500 -0.050 0.000 2.709 793 R HA 0.318 4.649 4.340 -0.016 0.000 0.270 793 R C -1.591 174.693 176.300 -0.027 0.000 1.038 793 R CA -0.844 55.217 56.100 -0.066 0.000 0.872 793 R CB 0.711 30.925 30.300 -0.143 0.000 1.259 793 R HN -0.084 nan 8.270 nan 0.000 0.473 794 M N 0.817 120.414 119.600 -0.005 0.000 2.456 794 M HA 0.402 4.872 4.480 -0.016 0.000 0.324 794 M C 0.473 176.847 176.300 0.124 0.000 1.124 794 M CA -0.645 54.666 55.300 0.018 0.000 0.959 794 M CB 2.426 34.966 32.600 -0.101 0.000 1.692 794 M HN 0.942 nan 8.290 nan 0.000 0.444 795 G N 1.874 110.769 108.800 0.157 0.000 3.401 795 G HA2 0.486 4.436 3.960 -0.016 0.000 0.251 795 G HA3 0.486 4.436 3.960 -0.016 0.000 0.251 795 G C 0.314 175.220 174.900 0.010 0.000 0.960 795 G CA 0.299 45.443 45.100 0.073 0.000 1.900 795 G HN 1.086 nan 8.290 nan 0.000 0.645 796 G N -1.298 107.455 108.800 -0.078 0.000 2.712 796 G HA2 0.364 4.315 3.960 -0.016 0.000 0.686 796 G HA3 0.364 4.315 3.960 -0.016 0.000 0.686 796 G C 0.514 175.210 174.900 -0.340 0.000 1.181 796 G CA -0.331 44.601 45.100 -0.280 0.000 0.762 796 G HN 1.199 nan 8.290 nan 0.000 0.641 797 G N -0.617 107.795 108.800 -0.646 0.000 2.645 797 G HA2 0.537 4.488 3.960 -0.016 0.000 0.208 797 G HA3 0.537 4.488 3.960 -0.016 0.000 0.208 797 G C 0.949 175.758 174.900 -0.152 0.000 1.264 797 G CA 0.853 45.764 45.100 -0.315 0.000 0.586 797 G HN 1.717 nan 8.290 nan 0.000 0.952 798 F N 0.932 120.915 119.950 0.054 0.000 3.079 798 F HA -0.216 4.302 4.527 -0.015 0.000 0.285 798 F C 1.987 177.805 175.800 0.030 0.000 0.819 798 F CA 1.062 59.075 58.000 0.021 0.000 1.067 798 F CB -1.477 37.478 39.000 -0.074 0.000 1.263 798 F HN 1.153 nan 8.300 nan 0.000 0.458 799 G N -1.227 107.637 108.800 0.106 0.000 2.238 799 G HA2 -0.148 3.802 3.960 -0.016 0.000 0.217 799 G HA3 -0.148 3.802 3.960 -0.016 0.000 0.217 799 G C 1.019 175.936 174.900 0.028 0.000 0.996 799 G CA -0.069 45.126 45.100 0.158 0.000 0.632 799 G HN 1.179 nan 8.290 nan 0.000 0.503 800 G N -0.064 108.515 108.800 -0.369 0.000 2.920 800 G HA2 0.303 4.253 3.960 -0.016 0.000 0.208 800 G HA3 0.303 4.253 3.960 -0.016 0.000 0.208 800 G C 1.077 175.948 174.900 -0.049 0.000 1.159 800 G CA 1.117 45.868 45.100 -0.582 0.000 0.784 800 G HN 0.476 nan 8.290 nan 0.000 0.535 801 K N -0.114 120.250 120.400 -0.060 0.000 2.455 801 K HA 0.165 4.476 4.320 -0.016 0.000 0.206 801 K C 1.427 178.030 176.600 0.006 0.000 1.027 801 K CA -0.111 56.150 56.287 -0.042 0.000 1.113 801 K CB 0.652 33.017 32.500 -0.226 0.000 0.850 801 K HN 0.347 nan 8.250 nan 0.000 0.503 802 E N 0.714 120.944 120.200 0.051 0.000 2.230 802 E HA -0.106 4.234 4.350 -0.016 0.000 0.192 802 E C 1.254 177.889 176.600 0.058 0.000 0.987 802 E CA 1.631 58.074 56.400 0.072 0.000 0.841 802 E CB 0.477 30.261 29.700 0.139 0.000 0.783 802 E HN 0.258 nan 8.360 nan 0.000 0.481 803 T N -3.027 111.577 114.554 0.083 0.000 3.336 803 T HA 0.186 4.527 4.350 -0.016 0.000 0.273 803 T C 1.595 176.344 174.700 0.082 0.000 0.932 803 T CA -0.566 61.573 62.100 0.065 0.000 0.995 803 T CB -0.174 68.766 68.868 0.119 0.000 1.213 803 T HN -0.102 nan 8.240 nan 0.000 0.502 804 R N 2.644 123.206 120.500 0.103 0.000 2.280 804 R HA 0.194 4.525 4.340 -0.016 0.000 0.207 804 R C 2.610 178.885 176.300 -0.043 0.000 1.043 804 R CA 1.124 57.260 56.100 0.059 0.000 1.006 804 R CB -1.070 29.274 30.300 0.073 0.000 0.885 804 R HN 0.745 nan 8.270 nan 0.000 0.467 805 S N 0.188 115.927 115.700 0.064 0.000 2.447 805 S HA -0.136 4.324 4.470 -0.016 0.000 0.233 805 S C 1.910 176.527 174.600 0.029 0.000 1.006 805 S CA 1.471 59.731 58.200 0.100 0.000 0.957 805 S CB -0.519 62.803 63.200 0.203 0.000 0.773 805 S HN 0.442 nan 8.310 nan 0.000 0.507 806 T N 0.793 115.369 114.554 0.037 0.000 2.962 806 T HA 0.131 4.471 4.350 -0.016 0.000 0.270 806 T C 1.746 176.475 174.700 0.047 0.000 1.088 806 T CA 0.782 62.925 62.100 0.071 0.000 1.127 806 T CB -0.820 68.165 68.868 0.196 0.000 0.883 806 T HN 0.422 nan 8.240 nan 0.000 0.493 807 L N 0.495 121.723 121.223 0.007 0.000 2.043 807 L HA -0.072 4.258 4.340 -0.016 0.000 0.212 807 L C 2.834 179.684 176.870 -0.034 0.000 1.075 807 L CA 1.126 55.950 54.840 -0.027 0.000 0.752 807 L CB -0.670 41.365 42.059 -0.040 0.000 0.891 807 L HN 0.224 nan 8.230 nan 0.000 0.432 808 V N -1.805 118.090 119.914 -0.032 0.000 2.599 808 V HA -0.123 3.987 4.120 -0.016 0.000 0.245 808 V C 2.499 178.604 176.094 0.019 0.000 1.046 808 V CA 1.308 63.612 62.300 0.006 0.000 1.065 808 V CB 0.435 32.273 31.823 0.025 0.000 0.703 808 V HN 0.286 nan 8.190 nan 0.000 0.464 809 S N 0.185 115.897 115.700 0.021 0.000 2.370 809 S HA -0.176 4.284 4.470 -0.016 0.000 0.226 809 S C 1.949 176.555 174.600 0.010 0.000 1.033 809 S CA 1.721 59.935 58.200 0.023 0.000 1.011 809 S CB -0.116 63.098 63.200 0.023 0.000 0.852 809 S HN 0.374 nan 8.310 nan 0.000 0.457 810 V N 1.364 121.272 119.914 -0.009 0.000 2.535 810 V HA -0.019 4.091 4.120 -0.016 0.000 0.246 810 V C 2.508 178.552 176.094 -0.084 0.000 1.045 810 V CA 1.255 63.529 62.300 -0.044 0.000 1.058 810 V CB -1.045 30.741 31.823 -0.061 0.000 0.689 810 V HN 0.499 nan 8.190 nan 0.000 0.461 811 A N 0.252 123.013 122.820 -0.098 0.000 1.865 811 A HA -0.188 4.123 4.320 -0.016 0.000 0.217 811 A C 2.388 179.999 177.584 0.045 0.000 1.191 811 A CA 2.335 54.342 52.037 -0.050 0.000 0.623 811 A CB -0.776 18.236 19.000 0.020 0.000 0.826 811 A HN 0.323 nan 8.150 nan 0.000 0.444 812 V N -0.135 119.803 119.914 0.040 0.000 2.343 812 V HA -0.245 3.866 4.120 -0.016 0.000 0.247 812 V C 3.065 179.188 176.094 0.048 0.000 1.051 812 V CA 1.914 64.244 62.300 0.049 0.000 1.036 812 V CB -1.355 30.496 31.823 0.046 0.000 0.654 812 V HN 0.638 nan 8.190 nan 0.000 0.451 813 A N 0.060 122.901 122.820 0.034 0.000 1.917 813 A HA -0.251 4.059 4.320 -0.016 0.000 0.219 813 A C 2.193 179.822 177.584 0.075 0.000 1.182 813 A CA 2.343 54.404 52.037 0.041 0.000 0.633 813 A CB -0.633 18.376 19.000 0.015 0.000 0.819 813 A HN 0.492 nan 8.150 nan 0.000 0.448 814 L N -0.440 120.822 121.223 0.065 0.000 2.083 814 L HA -0.011 4.319 4.340 -0.016 0.000 0.209 814 L C 2.586 179.555 176.870 0.166 0.000 1.083 814 L CA 2.145 57.057 54.840 0.119 0.000 0.752 814 L CB -0.670 41.449 42.059 0.101 0.000 0.899 814 L HN 0.322 nan 8.230 nan 0.000 0.433 815 A N -0.433 122.452 122.820 0.110 0.000 1.933 815 A HA -0.057 4.254 4.320 -0.016 0.000 0.218 815 A C 2.438 180.059 177.584 0.062 0.000 1.175 815 A CA 1.654 53.732 52.037 0.068 0.000 0.628 815 A CB -1.043 17.979 19.000 0.036 0.000 0.814 815 A HN 0.587 nan 8.150 nan 0.000 0.444 816 A N -1.283 121.585 122.820 0.081 0.000 1.872 816 A HA -0.036 4.275 4.320 -0.016 0.000 0.214 816 A C 2.121 179.755 177.584 0.083 0.000 1.187 816 A CA 1.536 53.616 52.037 0.071 0.000 0.614 816 A CB -0.884 18.157 19.000 0.068 0.000 0.826 816 A HN 0.748 nan 8.150 nan 0.000 0.442 817 Y N 0.682 120.987 120.300 0.009 0.000 2.081 817 Y HA -0.240 4.301 4.550 -0.016 0.000 0.280 817 Y C 2.343 178.250 175.900 0.011 0.000 1.163 817 Y CA 2.576 60.680 58.100 0.007 0.000 1.135 817 Y CB -0.110 38.353 38.460 0.005 0.000 0.970 817 Y HN 0.206 nan 8.280 nan 0.000 0.498 818 K N -0.276 120.117 120.400 -0.012 0.000 2.167 818 K HA -0.100 4.211 4.320 -0.016 0.000 0.203 818 K C 1.941 178.465 176.600 -0.126 0.000 1.052 818 K CA 1.737 57.947 56.287 -0.129 0.000 0.956 818 K CB -0.385 32.160 32.500 0.076 0.000 0.735 818 K HN 0.608 nan 8.250 nan 0.000 0.451 819 T N -3.719 110.799 114.554 -0.060 0.000 3.051 819 T HA 0.132 4.473 4.350 -0.016 0.000 0.255 819 T C 1.370 176.110 174.700 0.066 0.000 1.085 819 T CA 0.952 63.031 62.100 -0.035 0.000 1.109 819 T CB 0.077 68.889 68.868 -0.093 0.000 0.921 819 T HN 0.306 nan 8.240 nan 0.000 0.488 820 G N 1.057 109.869 108.800 0.021 0.000 2.162 820 G HA2 -0.218 3.733 3.960 -0.016 0.000 0.260 820 G HA3 -0.218 3.733 3.960 -0.016 0.000 0.260 820 G C -0.151 174.783 174.900 0.056 0.000 0.976 820 G CA 0.390 45.498 45.100 0.013 0.000 0.655 820 G HN 0.776 nan 8.290 nan 0.000 0.533 821 H N 0.419 119.447 119.070 -0.070 0.000 2.567 821 H HA 0.575 5.122 4.556 -0.016 0.000 0.345 821 H C -2.283 173.010 175.328 -0.059 0.000 1.169 821 H CA -2.003 54.005 56.048 -0.066 0.000 1.227 821 H CB 1.035 30.768 29.762 -0.049 0.000 1.607 821 H HN 0.054 nan 8.280 nan 0.000 0.534 822 P HA 0.068 nan 4.420 nan 0.000 0.268 822 P C -0.889 176.429 177.300 0.029 0.000 1.205 822 P CA 0.111 63.243 63.100 0.054 0.000 0.771 822 P CB 0.639 32.404 31.700 0.108 0.000 0.858 823 V N 3.601 123.513 119.914 -0.003 0.000 2.841 823 V HA 0.618 4.729 4.120 -0.016 0.000 0.310 823 V C 0.053 176.096 176.094 -0.085 0.000 1.090 823 V CA -0.662 61.591 62.300 -0.078 0.000 0.930 823 V CB 2.212 34.020 31.823 -0.024 0.000 1.014 823 V HN 0.606 nan 8.190 nan 0.000 0.425 824 R N 2.003 122.392 120.500 -0.184 0.000 2.867 824 R HA 0.950 5.281 4.340 -0.016 0.000 0.268 824 R C -1.355 174.956 176.300 0.018 0.000 1.014 824 R CA -0.662 55.390 56.100 -0.080 0.000 0.946 824 R CB 1.931 32.166 30.300 -0.108 0.000 1.208 824 R HN 0.756 nan 8.270 nan 0.000 0.477 825 C N 2.443 121.792 119.300 0.082 0.000 2.871 825 C HA 0.560 5.010 4.460 -0.016 0.000 0.378 825 C C -1.139 173.922 174.990 0.119 0.000 1.052 825 C CA -0.613 58.484 59.018 0.132 0.000 1.250 825 C CB 1.298 29.108 27.740 0.116 0.000 1.689 825 C HN 1.007 nan 8.230 nan 0.000 0.506 826 M N 6.797 126.474 119.600 0.129 0.000 2.243 826 M HA 0.562 5.033 4.480 -0.016 0.000 0.324 826 M C -1.021 175.336 176.300 0.096 0.000 1.031 826 M CA -0.574 54.785 55.300 0.099 0.000 0.949 826 M CB 1.101 33.751 32.600 0.083 0.000 1.615 826 M HN 0.734 nan 8.290 nan 0.000 0.430 827 L N 3.562 124.844 121.223 0.097 0.000 2.461 827 L HA 0.172 4.503 4.340 -0.016 0.000 0.272 827 L C 0.243 177.156 176.870 0.071 0.000 1.197 827 L CA -0.280 54.618 54.840 0.095 0.000 0.836 827 L CB 0.181 42.312 42.059 0.119 0.000 1.105 827 L HN 0.638 nan 8.230 nan 0.000 0.477 828 D N 0.832 121.270 120.400 0.063 0.000 2.344 828 D HA 0.054 4.685 4.640 -0.016 0.000 0.244 828 D C 0.945 177.267 176.300 0.037 0.000 1.134 828 D CA -0.252 53.774 54.000 0.043 0.000 0.930 828 D CB 1.182 42.008 40.800 0.042 0.000 1.175 828 D HN 0.346 nan 8.370 nan 0.000 0.437 829 R N 1.598 122.103 120.500 0.009 0.000 2.103 829 R HA -0.202 4.128 4.340 -0.016 0.000 0.242 829 R C 1.744 178.046 176.300 0.005 0.000 1.142 829 R CA 1.794 57.876 56.100 -0.031 0.000 0.960 829 R CB -0.164 30.096 30.300 -0.066 0.000 0.858 829 R HN 0.520 nan 8.270 nan 0.000 0.439 830 N N 0.378 119.096 118.700 0.031 0.000 2.244 830 N HA -0.186 4.545 4.740 -0.016 0.000 0.183 830 N C 1.102 176.643 175.510 0.052 0.000 1.016 830 N CA 1.752 54.827 53.050 0.042 0.000 0.866 830 N CB -0.279 38.236 38.487 0.047 0.000 0.980 830 N HN 0.456 nan 8.380 nan 0.000 0.430 831 E N 0.152 120.389 120.200 0.062 0.000 2.106 831 E HA -0.146 4.194 4.350 -0.016 0.000 0.192 831 E C 1.360 178.012 176.600 0.085 0.000 0.984 831 E CA 0.935 57.381 56.400 0.078 0.000 0.806 831 E CB -0.070 29.681 29.700 0.085 0.000 0.750 831 E HN 0.428 nan 8.360 nan 0.000 0.458 832 D N 0.685 121.141 120.400 0.094 0.000 2.097 832 D HA -0.129 4.501 4.640 -0.016 0.000 0.197 832 D C 1.963 178.338 176.300 0.125 0.000 0.984 832 D CA 1.013 55.102 54.000 0.148 0.000 0.826 832 D CB 0.076 40.997 40.800 0.201 0.000 0.973 832 D HN 0.146 nan 8.370 nan 0.000 0.460 833 M N -0.040 119.596 119.600 0.060 0.000 2.279 833 M HA -0.147 4.323 4.480 -0.016 0.000 0.264 833 M C 2.126 178.455 176.300 0.049 0.000 1.062 833 M CA 0.654 55.970 55.300 0.026 0.000 1.099 833 M CB 0.052 32.632 32.600 -0.034 0.000 1.394 833 M HN 0.057 nan 8.290 nan 0.000 0.426 834 L N -0.393 120.869 121.223 0.064 0.000 2.307 834 L HA 0.094 4.425 4.340 -0.016 0.000 0.211 834 L C 1.688 178.614 176.870 0.093 0.000 1.099 834 L CA 1.440 56.326 54.840 0.076 0.000 0.816 834 L CB 0.074 42.176 42.059 0.072 0.000 0.952 834 L HN 0.176 nan 8.230 nan 0.000 0.455 835 I N -1.561 119.064 120.570 0.092 0.000 3.300 835 I HA -0.031 4.129 4.170 -0.016 0.000 0.279 835 I C 1.748 177.909 176.117 0.074 0.000 1.172 835 I CA 1.051 62.402 61.300 0.085 0.000 1.431 835 I CB -0.066 37.978 38.000 0.074 0.000 1.240 835 I HN 0.273 nan 8.210 nan 0.000 0.453 836 T N -1.337 113.268 114.554 0.085 0.000 3.107 836 T HA 0.436 4.777 4.350 -0.016 0.000 0.249 836 T C 0.963 175.760 174.700 0.160 0.000 1.096 836 T CA 0.260 62.404 62.100 0.073 0.000 1.012 836 T CB 0.027 68.931 68.868 0.060 0.000 0.977 836 T HN 0.474 nan 8.240 nan 0.000 0.527 837 G N -0.668 108.232 108.800 0.168 0.000 2.730 837 G HA2 0.364 4.315 3.960 -0.016 0.000 0.686 837 G HA3 0.364 4.315 3.960 -0.016 0.000 0.686 837 G C -0.127 174.940 174.900 0.278 0.000 1.343 837 G CA -0.583 44.627 45.100 0.183 0.000 0.826 837 G HN 1.019 nan 8.290 nan 0.000 0.582 838 G N -0.538 108.388 108.800 0.209 0.000 3.166 838 G HA2 0.839 4.789 3.960 -0.016 0.000 0.267 838 G HA3 0.839 4.789 3.960 -0.016 0.000 0.267 838 G C 0.062 175.079 174.900 0.195 0.000 1.256 838 G CA 0.094 45.296 45.100 0.170 0.000 0.859 838 G HN 1.056 nan 8.290 nan 0.000 0.590 839 R N -0.192 120.418 120.500 0.183 0.000 2.531 839 R HA 0.224 4.555 4.340 -0.016 0.000 0.273 839 R C -0.540 175.845 176.300 0.142 0.000 1.070 839 R CA -0.451 55.765 56.100 0.192 0.000 1.112 839 R CB 0.180 30.452 30.300 -0.047 0.000 1.049 839 R HN 0.603 nan 8.270 nan 0.000 0.508 840 H N 3.923 123.076 119.070 0.138 0.000 2.955 840 H HA 0.115 4.662 4.556 -0.016 0.000 0.290 840 H C -1.915 173.550 175.328 0.227 0.000 1.047 840 H CA -1.480 54.680 56.048 0.186 0.000 1.484 840 H CB 0.820 30.728 29.762 0.243 0.000 1.501 840 H HN 0.429 nan 8.280 nan 0.000 0.521 841 P HA -0.017 nan 4.420 nan 0.000 0.267 841 P C -0.662 176.794 177.300 0.261 0.000 1.200 841 P CA 0.701 63.875 63.100 0.123 0.000 0.772 841 P CB 0.401 32.157 31.700 0.094 0.000 0.855 842 F N 1.687 121.552 119.950 -0.141 0.000 2.563 842 F HA 0.520 5.038 4.527 -0.016 0.000 0.316 842 F C -0.265 175.549 175.800 0.023 0.000 1.076 842 F CA -1.078 56.934 58.000 0.020 0.000 0.921 842 F CB 1.718 40.764 39.000 0.077 0.000 1.209 842 F HN 0.080 nan 8.300 nan 0.000 0.462 843 L N 3.189 124.622 121.223 0.351 0.000 2.346 843 L HA 0.889 5.219 4.340 -0.016 0.000 0.276 843 L C -1.124 176.015 176.870 0.448 0.000 1.006 843 L CA -0.345 54.750 54.840 0.424 0.000 0.817 843 L CB 1.548 43.848 42.059 0.401 0.000 1.272 843 L HN 0.609 nan 8.230 nan 0.000 0.421 844 A N 5.134 128.198 122.820 0.406 0.000 2.371 844 A HA 0.851 5.162 4.320 -0.016 0.000 0.311 844 A C -0.831 176.970 177.584 0.362 0.000 1.068 844 A CA -0.708 51.535 52.037 0.344 0.000 0.744 844 A CB 1.067 20.237 19.000 0.283 0.000 1.239 844 A HN 0.728 nan 8.150 nan 0.000 0.435 845 R N 1.328 122.008 120.500 0.299 0.000 2.393 845 R HA 0.565 4.896 4.340 -0.016 0.000 0.315 845 R C -1.456 174.975 176.300 0.218 0.000 0.952 845 R CA -0.361 55.881 56.100 0.237 0.000 0.842 845 R CB 1.420 31.826 30.300 0.177 0.000 1.163 845 R HN 0.813 nan 8.270 nan 0.000 0.450 846 Y N -0.631 119.708 120.300 0.065 0.000 2.576 846 Y HA 0.675 5.215 4.550 -0.017 0.000 0.346 846 Y C -1.039 174.874 175.900 0.022 0.000 1.018 846 Y CA -1.336 56.786 58.100 0.037 0.000 1.050 846 Y CB 2.011 40.524 38.460 0.088 0.000 1.280 846 Y HN 0.321 nan 8.280 nan 0.000 0.474 847 K N 2.604 123.041 120.400 0.061 0.000 2.581 847 K HA 0.635 4.946 4.320 -0.016 0.000 0.249 847 K C -2.309 174.379 176.600 0.147 0.000 0.966 847 K CA -0.681 55.623 56.287 0.028 0.000 0.811 847 K CB 2.070 34.526 32.500 -0.074 0.000 1.223 847 K HN 0.750 nan 8.250 nan 0.000 0.438 848 V N 1.031 121.037 119.914 0.154 0.000 2.680 848 V HA 0.800 4.911 4.120 -0.016 0.000 0.309 848 V C 0.248 176.500 176.094 0.264 0.000 1.052 848 V CA -0.959 61.381 62.300 0.068 0.000 0.908 848 V CB 1.741 33.528 31.823 -0.060 0.000 1.001 848 V HN 0.823 nan 8.190 nan 0.000 0.431 849 G N 2.944 111.804 108.800 0.100 0.000 2.544 849 G HA2 0.817 4.768 3.960 -0.016 0.000 0.313 849 G HA3 0.817 4.768 3.960 -0.016 0.000 0.313 849 G C -1.224 173.683 174.900 0.012 0.000 1.316 849 G CA -0.508 44.587 45.100 -0.007 0.000 0.944 849 G HN 0.906 nan 8.290 nan 0.000 0.489 850 F N 0.555 120.460 119.950 -0.076 0.000 2.685 850 F HA 0.773 5.291 4.527 -0.016 0.000 0.315 850 F C -0.475 175.298 175.800 -0.045 0.000 1.126 850 F CA -1.892 56.063 58.000 -0.075 0.000 0.950 850 F CB 1.258 40.226 39.000 -0.054 0.000 1.360 850 F HN 0.241 nan 8.300 nan 0.000 0.469 851 M N 1.449 121.149 119.600 0.167 0.000 2.197 851 M HA 0.305 4.776 4.480 -0.016 0.000 0.305 851 M C 1.210 177.610 176.300 0.166 0.000 1.162 851 M CA -0.532 54.818 55.300 0.084 0.000 1.099 851 M CB 1.136 33.765 32.600 0.048 0.000 1.430 851 M HN 0.931 nan 8.290 nan 0.000 0.481 852 K N 0.748 121.199 120.400 0.085 0.000 2.152 852 K HA -0.125 4.186 4.320 -0.016 0.000 0.206 852 K C 1.643 178.304 176.600 0.101 0.000 1.048 852 K CA 1.986 58.330 56.287 0.096 0.000 0.933 852 K CB -0.239 32.290 32.500 0.048 0.000 0.721 852 K HN 0.881 nan 8.250 nan 0.000 0.447 853 T N -3.868 110.733 114.554 0.079 0.000 3.035 853 T HA 0.090 4.431 4.350 -0.016 0.000 0.268 853 T C 1.548 176.283 174.700 0.057 0.000 1.109 853 T CA 0.861 62.997 62.100 0.059 0.000 1.119 853 T CB -0.126 68.764 68.868 0.037 0.000 0.900 853 T HN 0.349 nan 8.240 nan 0.000 0.503 854 G N 0.555 109.409 108.800 0.089 0.000 2.213 854 G HA2 -0.233 3.717 3.960 -0.016 0.000 0.226 854 G HA3 -0.233 3.717 3.960 -0.016 0.000 0.226 854 G C 0.270 175.168 174.900 -0.003 0.000 0.992 854 G CA -0.027 45.088 45.100 0.025 0.000 0.632 854 G HN 0.678 nan 8.290 nan 0.000 0.511 855 T N 3.417 117.982 114.554 0.018 0.000 2.866 855 T HA 0.372 4.713 4.350 -0.016 0.000 0.293 855 T C 1.128 175.837 174.700 0.015 0.000 1.005 855 T CA 0.240 62.331 62.100 -0.015 0.000 1.162 855 T CB 0.555 69.413 68.868 -0.017 0.000 0.968 855 T HN 0.283 nan 8.240 nan 0.000 0.530 856 I N 3.746 124.293 120.570 -0.038 0.000 2.638 856 I HA 0.151 4.311 4.170 -0.016 0.000 0.286 856 I C 1.168 177.231 176.117 -0.090 0.000 1.088 856 I CA -0.012 61.259 61.300 -0.047 0.000 1.397 856 I CB 1.023 38.966 38.000 -0.095 0.000 1.414 856 I HN 0.436 nan 8.210 nan 0.000 0.566 857 V N 3.297 123.130 119.914 -0.134 0.000 3.264 857 V HA 0.416 4.526 4.120 -0.016 0.000 0.262 857 V C 0.090 176.000 176.094 -0.308 0.000 1.616 857 V CA 0.525 62.717 62.300 -0.182 0.000 1.033 857 V CB 1.330 33.067 31.823 -0.144 0.000 0.865 857 V HN 0.906 nan 8.190 nan 0.000 0.420 858 A N 0.604 123.165 122.820 -0.432 0.000 2.566 858 A HA 0.816 5.126 4.320 -0.016 0.000 0.297 858 A C -2.089 175.178 177.584 -0.529 0.000 1.059 858 A CA -0.303 51.337 52.037 -0.662 0.000 0.691 858 A CB 2.100 20.197 19.000 -1.504 0.000 1.282 858 A HN 0.332 nan 8.150 nan 0.000 0.401 859 L N 0.490 121.507 121.223 -0.343 0.000 2.445 859 L HA 0.845 5.176 4.340 -0.016 0.000 0.262 859 L C -0.837 176.021 176.870 -0.020 0.000 0.974 859 L CA 0.028 54.730 54.840 -0.229 0.000 0.822 859 L CB 2.126 43.937 42.059 -0.413 0.000 1.339 859 L HN 0.810 nan 8.230 nan 0.000 0.409 860 E N 3.172 123.409 120.200 0.061 0.000 2.260 860 E HA 0.704 5.044 4.350 -0.016 0.000 0.266 860 E C -1.981 174.657 176.600 0.062 0.000 0.887 860 E CA -0.605 55.855 56.400 0.101 0.000 0.777 860 E CB 2.129 31.928 29.700 0.165 0.000 1.205 860 E HN 0.502 nan 8.360 nan 0.000 0.414 861 V N 3.803 123.742 119.914 0.043 0.000 2.569 861 V HA 0.326 4.437 4.120 -0.016 0.000 0.301 861 V C -1.070 174.962 176.094 -0.105 0.000 1.044 861 V CA -1.040 61.243 62.300 -0.028 0.000 0.874 861 V CB 1.960 33.728 31.823 -0.092 0.000 1.002 861 V HN 0.642 nan 8.190 nan 0.000 0.424 862 D N 2.630 122.970 120.400 -0.100 0.000 2.256 862 D HA 0.505 5.135 4.640 -0.016 0.000 0.240 862 D C -0.585 175.580 176.300 -0.225 0.000 1.062 862 D CA -0.253 53.663 54.000 -0.140 0.000 0.832 862 D CB 1.418 42.192 40.800 -0.043 0.000 1.135 862 D HN 0.622 nan 8.370 nan 0.000 0.484 863 H N 0.965 119.916 119.070 -0.198 0.000 2.457 863 H HA 0.410 4.957 4.556 -0.016 0.000 0.335 863 H C -0.772 174.240 175.328 -0.526 0.000 1.115 863 H CA -0.449 55.532 56.048 -0.113 0.000 1.219 863 H CB 0.891 30.709 29.762 0.094 0.000 1.471 863 H HN 0.288 nan 8.280 nan 0.000 0.491 864 Y N 0.647 120.954 120.300 0.012 0.000 2.350 864 Y HA 0.381 4.921 4.550 -0.016 0.000 0.338 864 Y C -0.058 175.632 175.900 -0.350 0.000 0.961 864 Y CA -0.921 57.119 58.100 -0.099 0.000 1.100 864 Y CB 1.822 40.307 38.460 0.042 0.000 1.179 864 Y HN 0.659 nan 8.280 nan 0.000 0.454 865 S N 1.766 117.266 115.700 -0.333 0.000 2.549 865 S HA 0.419 4.880 4.470 -0.016 0.000 0.297 865 S C -0.718 173.884 174.600 0.002 0.000 1.115 865 S CA -0.973 56.971 58.200 -0.428 0.000 1.059 865 S CB 1.582 64.409 63.200 -0.622 0.000 1.046 865 S HN 0.626 nan 8.310 nan 0.000 0.506 866 N N 1.253 120.001 118.700 0.080 0.000 2.469 866 N HA 0.399 5.130 4.740 -0.016 0.000 0.239 866 N C 0.649 176.213 175.510 0.090 0.000 1.053 866 N CA -0.232 52.875 53.050 0.094 0.000 0.937 866 N CB 1.173 39.703 38.487 0.071 0.000 1.163 866 N HN 0.783 nan 8.380 nan 0.000 0.509 867 A N 2.521 125.437 122.820 0.160 0.000 2.030 867 A HA 0.407 4.718 4.320 -0.016 0.000 0.215 867 A C 1.174 178.823 177.584 0.109 0.000 1.164 867 A CA 0.984 53.150 52.037 0.214 0.000 0.697 867 A CB -0.623 18.622 19.000 0.408 0.000 0.827 867 A HN 0.887 nan 8.150 nan 0.000 0.457 868 G N 0.492 109.346 108.800 0.090 0.000 2.568 868 G HA2 -0.227 3.724 3.960 -0.016 0.000 0.222 868 G HA3 -0.227 3.724 3.960 -0.016 0.000 0.222 868 G C 0.050 175.023 174.900 0.121 0.000 1.321 868 G CA 0.184 45.309 45.100 0.043 0.000 0.893 868 G HN 1.066 nan 8.290 nan 0.000 0.569 869 N N 0.293 119.024 118.700 0.050 0.000 2.276 869 N HA 0.365 5.096 4.740 -0.016 0.000 0.212 869 N C 0.494 176.059 175.510 0.093 0.000 1.127 869 N CA 1.071 54.151 53.050 0.051 0.000 0.834 869 N CB 0.168 38.593 38.487 -0.104 0.000 1.014 869 N HN 1.696 nan 8.380 nan 0.000 0.491 870 S N -1.457 114.292 115.700 0.080 0.000 2.656 870 S HA 0.505 4.965 4.470 -0.016 0.000 0.273 870 S C 0.436 174.830 174.600 -0.344 0.000 1.168 870 S CA -0.874 57.290 58.200 -0.060 0.000 0.817 870 S CB 2.021 65.219 63.200 -0.002 0.000 1.146 870 S HN -0.022 nan 8.310 nan 0.000 0.475 871 R N 0.502 120.734 120.500 -0.447 0.000 2.057 871 R HA 0.144 4.475 4.340 -0.016 0.000 0.229 871 R C 0.842 177.126 176.300 -0.026 0.000 1.136 871 R CA 1.447 57.267 56.100 -0.467 0.000 0.952 871 R CB -0.787 29.247 30.300 -0.443 0.000 0.848 871 R HN 0.901 nan 8.270 nan 0.000 0.430 872 D N -1.138 119.373 120.400 0.184 0.000 3.574 872 D HA -0.298 4.332 4.640 -0.016 0.000 0.153 872 D C 0.285 176.805 176.300 0.368 0.000 0.965 872 D CA 2.131 56.297 54.000 0.276 0.000 1.047 872 D CB -0.812 40.114 40.800 0.210 0.000 0.492 872 D HN 0.092 nan 8.370 nan 0.000 0.492 873 L N 0.142 121.546 121.223 0.303 0.000 2.607 873 L HA 0.209 4.539 4.340 -0.016 0.000 0.228 873 L C 2.111 179.060 176.870 0.132 0.000 1.123 873 L CA 0.274 55.298 54.840 0.308 0.000 0.890 873 L CB -0.018 42.261 42.059 0.367 0.000 1.103 873 L HN 0.195 nan 8.230 nan 0.000 0.468 874 S N -0.416 115.339 115.700 0.092 0.000 2.380 874 S HA -0.318 4.143 4.470 -0.016 0.000 0.229 874 S C 1.845 176.390 174.600 -0.091 0.000 1.043 874 S CA 1.963 60.120 58.200 -0.072 0.000 1.038 874 S CB -0.322 62.941 63.200 0.104 0.000 0.872 874 S HN 0.599 nan 8.310 nan 0.000 0.456 875 H N 0.973 119.996 119.070 -0.078 0.000 2.326 875 H HA 0.026 4.572 4.556 -0.016 0.000 0.301 875 H C 2.229 177.542 175.328 -0.024 0.000 1.081 875 H CA 1.789 57.785 56.048 -0.086 0.000 1.334 875 H CB -0.225 29.462 29.762 -0.126 0.000 1.385 875 H HN 0.248 nan 8.280 nan 0.000 0.504 876 S N -0.089 115.755 115.700 0.240 0.000 2.399 876 S HA -0.115 4.345 4.470 -0.016 0.000 0.231 876 S C 2.170 176.892 174.600 0.203 0.000 1.022 876 S CA 1.274 59.666 58.200 0.321 0.000 0.983 876 S CB -0.172 63.355 63.200 0.546 0.000 0.803 876 S HN 0.383 nan 8.310 nan 0.000 0.480 877 I N 0.688 121.141 120.570 -0.195 0.000 2.252 877 I HA -0.190 3.970 4.170 -0.016 0.000 0.245 877 I C 2.451 178.467 176.117 -0.168 0.000 1.102 877 I CA 1.070 62.083 61.300 -0.478 0.000 1.385 877 I CB -0.255 37.278 38.000 -0.778 0.000 1.064 877 I HN 0.303 nan 8.210 nan 0.000 0.414 878 M N 0.929 120.419 119.600 -0.184 0.000 2.175 878 M HA -0.174 4.296 4.480 -0.016 0.000 0.264 878 M C 2.020 178.204 176.300 -0.193 0.000 1.063 878 M CA 1.778 56.981 55.300 -0.163 0.000 1.119 878 M CB -0.507 31.925 32.600 -0.279 0.000 1.377 878 M HN 0.120 nan 8.290 nan 0.000 0.415 879 E N -0.684 119.392 120.200 -0.206 0.000 2.031 879 E HA -0.257 4.084 4.350 -0.016 0.000 0.193 879 E C 2.206 178.714 176.600 -0.153 0.000 0.994 879 E CA 1.426 57.695 56.400 -0.218 0.000 0.800 879 E CB -0.396 29.276 29.700 -0.047 0.000 0.752 879 E HN 0.529 nan 8.360 nan 0.000 0.447 880 R N 0.864 121.460 120.500 0.160 0.000 2.105 880 R HA -0.159 4.171 4.340 -0.016 0.000 0.239 880 R C 2.249 178.704 176.300 0.259 0.000 1.135 880 R CA 1.262 57.578 56.100 0.360 0.000 0.967 880 R CB -0.192 30.336 30.300 0.379 0.000 0.861 880 R HN 0.143 nan 8.270 nan 0.000 0.442 881 A N 1.304 124.158 122.820 0.057 0.000 1.851 881 A HA -0.168 4.142 4.320 -0.016 0.000 0.216 881 A C 2.201 179.775 177.584 -0.016 0.000 1.195 881 A CA 1.508 53.526 52.037 -0.032 0.000 0.622 881 A CB -0.736 18.195 19.000 -0.114 0.000 0.831 881 A HN 0.365 nan 8.150 nan 0.000 0.444 882 L N -1.795 119.361 121.223 -0.111 0.000 2.127 882 L HA -0.173 4.158 4.340 -0.016 0.000 0.211 882 L C 2.346 179.324 176.870 0.181 0.000 1.089 882 L CA 1.172 55.995 54.840 -0.028 0.000 0.757 882 L CB -0.566 41.444 42.059 -0.082 0.000 0.899 882 L HN 0.440 nan 8.230 nan 0.000 0.434 883 F N -1.276 118.720 119.950 0.077 0.000 2.641 883 F HA -0.127 4.391 4.527 -0.016 0.000 0.298 883 F C 2.000 177.778 175.800 -0.037 0.000 1.146 883 F CA 0.403 58.318 58.000 -0.142 0.000 1.464 883 F CB 0.021 38.837 39.000 -0.307 0.000 1.101 883 F HN 0.240 nan 8.300 nan 0.000 0.585 884 H N -0.552 118.710 119.070 0.321 0.000 2.923 884 H HA 0.137 4.683 4.556 -0.016 0.000 0.268 884 H C 1.947 177.356 175.328 0.136 0.000 1.148 884 H CA 0.222 56.388 56.048 0.198 0.000 1.146 884 H CB 0.118 29.892 29.762 0.019 0.000 1.607 884 H HN 0.395 nan 8.280 nan 0.000 0.566 885 M N 0.604 120.344 119.600 0.234 0.000 2.549 885 M HA -0.064 4.406 4.480 -0.016 0.000 0.260 885 M C 1.070 177.449 176.300 0.133 0.000 1.076 885 M CA 1.517 56.928 55.300 0.185 0.000 1.090 885 M CB -0.105 32.637 32.600 0.237 0.000 1.418 885 M HN -0.078 nan 8.290 nan 0.000 0.486 886 D N -0.535 119.892 120.400 0.045 0.000 2.347 886 D HA -0.066 4.565 4.640 -0.016 0.000 0.213 886 D C 0.910 177.269 176.300 0.098 0.000 0.985 886 D CA 0.418 54.473 54.000 0.092 0.000 0.879 886 D CB -0.544 40.322 40.800 0.110 0.000 0.919 886 D HN 0.510 nan 8.370 nan 0.000 0.526 887 N N 0.351 119.077 118.700 0.043 0.000 1.238 887 N HA -0.317 4.414 4.740 -0.016 0.000 0.139 887 N C 0.033 175.484 175.510 -0.098 0.000 0.512 887 N CA 2.806 55.806 53.050 -0.084 0.000 1.011 887 N CB -1.254 37.092 38.487 -0.235 0.000 1.386 887 N HN 0.371 nan 8.380 nan 0.000 0.471 888 C N -0.305 118.678 119.300 -0.528 0.000 2.760 888 C HA 0.416 4.867 4.460 -0.016 0.000 0.293 888 C C -0.633 174.058 174.990 -0.499 0.000 1.383 888 C CA -0.568 58.289 59.018 -0.269 0.000 1.771 888 C CB -1.895 25.740 27.740 -0.175 0.000 2.353 888 C HN 0.347 nan 8.230 nan 0.000 0.578 889 Y N 0.776 120.928 120.300 -0.245 0.000 2.335 889 Y HA 0.423 4.964 4.550 -0.016 0.000 0.338 889 Y C 0.321 175.654 175.900 -0.945 0.000 0.977 889 Y CA -0.983 56.820 58.100 -0.494 0.000 1.114 889 Y CB 0.834 39.181 38.460 -0.188 0.000 1.182 889 Y HN -0.109 nan 8.280 nan 0.000 0.463 890 K N 3.964 123.831 120.400 -0.889 0.000 2.383 890 K HA 0.428 4.738 4.320 -0.016 0.000 0.286 890 K C -1.463 174.963 176.600 -0.290 0.000 1.051 890 K CA 0.349 56.206 56.287 -0.718 0.000 0.974 890 K CB -0.023 32.183 32.500 -0.489 0.000 0.968 890 K HN 0.681 nan 8.250 nan 0.000 0.475 891 I N 8.156 128.618 120.570 -0.180 0.000 2.503 891 I HA 0.240 4.400 4.170 -0.016 0.000 0.282 891 I C -1.655 174.413 176.117 -0.082 0.000 1.059 891 I CA -1.820 59.410 61.300 -0.117 0.000 1.081 891 I CB 2.129 40.073 38.000 -0.094 0.000 1.210 891 I HN 0.642 nan 8.210 nan 0.000 0.450 892 P HA 0.011 nan 4.420 nan 0.000 0.229 892 P C -0.396 176.868 177.300 -0.061 0.000 1.160 892 P CA 0.982 64.042 63.100 -0.066 0.000 0.777 892 P CB 0.218 31.872 31.700 -0.075 0.000 0.814 893 N N 0.310 118.951 118.700 -0.098 0.000 2.410 893 N HA 0.465 5.195 4.740 -0.016 0.000 0.287 893 N C -1.014 174.439 175.510 -0.096 0.000 1.044 893 N CA -0.334 52.661 53.050 -0.092 0.000 0.881 893 N CB 2.571 40.973 38.487 -0.142 0.000 1.405 893 N HN -0.003 nan 8.380 nan 0.000 0.490 894 I N 0.863 121.423 120.570 -0.016 0.000 2.710 894 I HA 0.344 4.505 4.170 -0.016 0.000 0.290 894 I C -1.628 174.538 176.117 0.081 0.000 1.318 894 I CA -0.528 60.780 61.300 0.014 0.000 1.045 894 I CB 2.289 40.301 38.000 0.019 0.000 1.307 894 I HN 0.396 nan 8.210 nan 0.000 0.424 895 R N 5.164 125.717 120.500 0.089 0.000 2.515 895 R HA 0.681 5.012 4.340 -0.016 0.000 0.291 895 R C -1.366 175.007 176.300 0.122 0.000 1.046 895 R CA -0.569 55.600 56.100 0.115 0.000 0.914 895 R CB 1.962 32.324 30.300 0.102 0.000 1.191 895 R HN 0.778 nan 8.270 nan 0.000 0.435 896 G N 1.867 110.765 108.800 0.164 0.000 2.513 896 G HA2 0.510 4.461 3.960 -0.016 0.000 0.317 896 G HA3 0.510 4.461 3.960 -0.016 0.000 0.317 896 G C -0.633 174.367 174.900 0.167 0.000 1.277 896 G CA -0.401 44.819 45.100 0.200 0.000 0.955 896 G HN 0.575 nan 8.290 nan 0.000 0.484 897 T N -1.141 113.494 114.554 0.136 0.000 2.907 897 T HA 0.886 5.227 4.350 -0.016 0.000 0.290 897 T C -0.045 174.679 174.700 0.039 0.000 1.066 897 T CA -0.569 61.556 62.100 0.043 0.000 1.012 897 T CB 2.328 71.173 68.868 -0.038 0.000 1.184 897 T HN 1.431 nan 8.240 nan 0.000 0.522 898 G N 0.111 108.838 108.800 -0.122 0.000 2.759 898 G HA2 0.614 4.564 3.960 -0.016 0.000 0.297 898 G HA3 0.614 4.564 3.960 -0.016 0.000 0.297 898 G C -1.820 172.888 174.900 -0.319 0.000 1.434 898 G CA -0.913 44.065 45.100 -0.203 0.000 0.980 898 G HN 0.693 nan 8.290 nan 0.000 0.531 899 R N 0.228 120.493 120.500 -0.392 0.000 2.673 899 R HA 0.625 4.956 4.340 -0.016 0.000 0.281 899 R C -0.806 175.415 176.300 -0.132 0.000 0.991 899 R CA -0.862 55.035 56.100 -0.337 0.000 0.896 899 R CB 1.693 31.692 30.300 -0.502 0.000 1.201 899 R HN 0.447 nan 8.270 nan 0.000 0.457 900 L N 2.996 124.222 121.223 0.005 0.000 2.265 900 L HA 0.514 4.844 4.340 -0.016 0.000 0.289 900 L C -0.441 176.618 176.870 0.314 0.000 1.033 900 L CA -0.964 53.966 54.840 0.150 0.000 0.814 900 L CB 1.538 43.716 42.059 0.198 0.000 1.203 900 L HN 0.493 nan 8.230 nan 0.000 0.423 901 C N 3.032 122.495 119.300 0.272 0.000 2.415 901 C HA 0.181 4.632 4.460 -0.016 0.000 0.369 901 C C 0.814 175.812 174.990 0.014 0.000 1.279 901 C CA -0.663 58.465 59.018 0.182 0.000 1.886 901 C CB 0.407 28.233 27.740 0.143 0.000 2.468 901 C HN 0.679 nan 8.230 nan 0.000 0.553 902 K N 3.319 123.566 120.400 -0.255 0.000 2.267 902 K HA 0.428 4.739 4.320 -0.016 0.000 0.282 902 K C 0.048 176.494 176.600 -0.257 0.000 1.078 902 K CA 0.207 56.206 56.287 -0.480 0.000 0.903 902 K CB 0.474 32.423 32.500 -0.918 0.000 1.111 902 K HN 0.936 nan 8.250 nan 0.000 0.475 903 T N 0.117 114.594 114.554 -0.129 0.000 2.883 903 T HA 0.302 4.642 4.350 -0.016 0.000 0.296 903 T C -0.031 174.595 174.700 -0.124 0.000 1.117 903 T CA -1.061 60.961 62.100 -0.131 0.000 1.006 903 T CB 1.094 69.899 68.868 -0.106 0.000 1.191 903 T HN 0.416 nan 8.240 nan 0.000 0.508 904 N N 1.522 120.132 118.700 -0.150 0.000 3.243 904 N HA 0.298 5.029 4.740 -0.016 0.000 0.310 904 N C -0.798 174.643 175.510 -0.115 0.000 1.313 904 N CA 0.056 53.016 53.050 -0.149 0.000 1.204 904 N CB -0.526 37.866 38.487 -0.158 0.000 1.483 904 N HN 0.502 nan 8.380 nan 0.000 0.553 905 L N -0.371 120.789 121.223 -0.105 0.000 2.350 905 L HA 0.329 4.659 4.340 -0.016 0.000 0.260 905 L C 0.571 177.411 176.870 -0.051 0.000 1.015 905 L CA -0.855 53.929 54.840 -0.094 0.000 0.821 905 L CB 1.789 43.751 42.059 -0.161 0.000 1.370 905 L HN -0.061 nan 8.230 nan 0.000 0.416 906 S N 0.699 116.393 115.700 -0.010 0.000 2.599 906 S HA -0.084 4.377 4.470 -0.016 0.000 0.303 906 S C 0.309 174.914 174.600 0.009 0.000 1.267 906 S CA 0.051 58.259 58.200 0.015 0.000 1.055 906 S CB 0.380 63.618 63.200 0.063 0.000 0.790 906 S HN 0.563 nan 8.310 nan 0.000 0.500 907 S N 3.439 119.150 115.700 0.018 0.000 2.515 907 S HA 0.061 4.522 4.470 -0.016 0.000 0.285 907 S C 0.350 174.969 174.600 0.032 0.000 1.265 907 S CA -0.559 57.659 58.200 0.030 0.000 1.079 907 S CB -0.269 62.961 63.200 0.051 0.000 0.877 907 S HN 0.601 nan 8.310 nan 0.000 0.493 908 N N 2.653 121.315 118.700 -0.064 0.000 2.445 908 N HA 0.458 5.189 4.740 -0.016 0.000 0.264 908 N C 0.276 175.834 175.510 0.079 0.000 1.227 908 N CA -0.138 52.818 53.050 -0.157 0.000 0.963 908 N CB 1.529 39.622 38.487 -0.657 0.000 1.188 908 N HN 0.651 nan 8.380 nan 0.000 0.491 909 T N -1.451 113.266 114.554 0.272 0.000 2.630 909 T HA 0.585 4.926 4.350 -0.016 0.000 0.300 909 T C -1.374 173.589 174.700 0.438 0.000 1.261 909 T CA -0.496 61.839 62.100 0.392 0.000 1.060 909 T CB 0.216 69.273 68.868 0.315 0.000 1.670 909 T HN 0.483 nan 8.240 nan 0.000 0.473 910 A N 1.125 124.211 122.820 0.443 0.000 2.511 910 A HA 0.593 4.904 4.320 -0.016 0.000 0.242 910 A C -0.742 177.230 177.584 0.647 0.000 1.069 910 A CA 0.158 52.532 52.037 0.561 0.000 0.763 910 A CB -0.692 18.703 19.000 0.659 0.000 1.001 910 A HN 0.698 nan 8.150 nan 0.000 0.498 911 F N 1.830 122.053 119.950 0.454 0.000 2.588 911 F HA 0.414 4.932 4.527 -0.015 0.000 0.314 911 F C 0.505 176.488 175.800 0.305 0.000 1.134 911 F CA -1.111 57.120 58.000 0.385 0.000 0.961 911 F CB 1.275 40.362 39.000 0.145 0.000 1.239 911 F HN 0.759 nan 8.300 nan 0.000 0.448 912 R N 3.901 124.885 120.500 0.806 0.000 3.853 912 R HA 0.063 4.393 4.340 -0.016 0.000 0.254 912 R C 0.827 177.328 176.300 0.335 0.000 0.565 912 R CA 1.996 58.394 56.100 0.496 0.000 1.000 912 R CB -0.673 29.916 30.300 0.481 0.000 0.943 912 R HN 1.102 nan 8.270 nan 0.000 0.331 913 G N 3.570 112.554 108.800 0.307 0.000 2.612 913 G HA2 -0.272 3.679 3.960 -0.016 0.000 0.200 913 G HA3 -0.272 3.679 3.960 -0.016 0.000 0.200 913 G C 0.187 175.361 174.900 0.456 0.000 1.053 913 G CA -0.145 45.140 45.100 0.308 0.000 0.707 913 G HN 0.764 nan 8.290 nan 0.000 0.497 914 F N 0.791 120.856 119.950 0.191 0.000 2.890 914 F HA 0.117 4.634 4.527 -0.016 0.000 0.333 914 F C 1.709 177.552 175.800 0.072 0.000 1.012 914 F CA 2.342 60.441 58.000 0.165 0.000 1.090 914 F CB -1.007 38.102 39.000 0.180 0.000 1.281 914 F HN 2.107 nan 8.300 nan 0.000 0.786 915 G N 0.018 108.800 108.800 -0.031 0.000 2.304 915 G HA2 -0.311 3.639 3.960 -0.016 0.000 0.252 915 G HA3 -0.311 3.639 3.960 -0.016 0.000 0.252 915 G C 1.581 176.374 174.900 -0.178 0.000 1.014 915 G CA 0.929 45.937 45.100 -0.153 0.000 0.619 915 G HN 1.633 nan 8.290 nan 0.000 0.525 916 G N 1.705 110.466 108.800 -0.064 0.000 2.453 916 G HA2 0.057 4.007 3.960 -0.016 0.000 0.215 916 G HA3 0.057 4.007 3.960 -0.016 0.000 0.215 916 G C 0.121 174.956 174.900 -0.109 0.000 1.201 916 G CA 1.925 46.932 45.100 -0.155 0.000 0.784 916 G HN 0.543 nan 8.290 nan 0.000 0.545 917 P HA -0.095 nan 4.420 nan 0.000 0.217 917 P C 1.702 179.038 177.300 0.061 0.000 1.148 917 P CA 1.262 64.437 63.100 0.125 0.000 0.828 917 P CB 0.020 31.831 31.700 0.185 0.000 0.783 918 Q N -0.360 119.333 119.800 -0.179 0.000 1.990 918 Q HA -0.066 4.265 4.340 -0.016 0.000 0.200 918 Q C 2.373 178.266 176.000 -0.178 0.000 0.980 918 Q CA 2.004 57.611 55.803 -0.327 0.000 0.832 918 Q CB -1.475 26.597 28.738 -1.110 0.000 0.897 918 Q HN 0.145 nan 8.270 nan 0.000 0.427 919 A N 0.267 122.943 122.820 -0.239 0.000 1.972 919 A HA -0.143 4.167 4.320 -0.016 0.000 0.219 919 A C 2.050 179.601 177.584 -0.055 0.000 1.169 919 A CA 1.198 53.212 52.037 -0.039 0.000 0.635 919 A CB -0.702 18.279 19.000 -0.032 0.000 0.810 919 A HN 0.330 nan 8.150 nan 0.000 0.446 920 L N -2.365 118.719 121.223 -0.231 0.000 2.109 920 L HA -0.088 4.242 4.340 -0.016 0.000 0.207 920 L C 2.416 179.051 176.870 -0.393 0.000 1.086 920 L CA 1.271 55.756 54.840 -0.592 0.000 0.760 920 L CB -0.508 40.716 42.059 -1.391 0.000 0.910 920 L HN 0.483 nan 8.230 nan 0.000 0.437 921 F N 1.001 120.877 119.950 -0.124 0.000 2.102 921 F HA -0.228 4.289 4.527 -0.017 0.000 0.298 921 F C 2.242 178.027 175.800 -0.025 0.000 1.105 921 F CA 1.510 59.579 58.000 0.116 0.000 1.239 921 F CB -0.158 38.866 39.000 0.041 0.000 0.991 921 F HN -0.118 nan 8.300 nan 0.000 0.474 922 I N 0.357 120.891 120.570 -0.061 0.000 2.208 922 I HA -0.347 3.814 4.170 -0.016 0.000 0.245 922 I C 2.698 178.601 176.117 -0.356 0.000 1.097 922 I CA 1.383 62.591 61.300 -0.154 0.000 1.363 922 I CB -0.971 37.087 38.000 0.096 0.000 1.051 922 I HN 0.246 nan 8.210 nan 0.000 0.413 923 A N 0.112 122.733 122.820 -0.332 0.000 1.902 923 A HA -0.196 4.115 4.320 -0.016 0.000 0.217 923 A C 2.244 179.091 177.584 -1.228 0.000 1.181 923 A CA 1.575 53.147 52.037 -0.775 0.000 0.623 923 A CB -0.415 18.410 19.000 -0.292 0.000 0.818 923 A HN 0.351 nan 8.150 nan 0.000 0.443 924 E N -0.338 119.454 120.200 -0.681 0.000 2.208 924 E HA -0.138 4.202 4.350 -0.016 0.000 0.193 924 E C 1.732 177.827 176.600 -0.841 0.000 0.988 924 E CA 0.998 56.963 56.400 -0.725 0.000 0.828 924 E CB -0.401 28.954 29.700 -0.575 0.000 0.763 924 E HN 0.727 nan 8.360 nan 0.000 0.478 925 N N 1.229 119.544 118.700 -0.642 0.000 2.058 925 N HA -0.154 4.577 4.740 -0.016 0.000 0.191 925 N C 1.950 177.258 175.510 -0.338 0.000 1.037 925 N CA 1.934 54.751 53.050 -0.388 0.000 0.848 925 N CB -0.290 37.955 38.487 -0.404 0.000 1.021 925 N HN 0.344 nan 8.380 nan 0.000 0.422 926 W N -0.490 120.600 121.300 -0.350 0.000 2.363 926 W HA -0.108 4.543 4.660 -0.016 0.000 0.296 926 W C 1.739 178.125 176.519 -0.221 0.000 1.212 926 W CA 0.333 57.536 57.345 -0.237 0.000 1.260 926 W CB -0.971 28.379 29.460 -0.184 0.000 1.131 926 W HN 0.154 nan 8.180 nan 0.000 0.530 927 M N 3.363 122.683 119.600 -0.465 0.000 2.117 927 M HA -0.197 4.274 4.480 -0.016 0.000 0.262 927 M C 2.553 178.661 176.300 -0.320 0.000 1.065 927 M CA 2.823 57.855 55.300 -0.447 0.000 1.114 927 M CB -0.885 31.200 32.600 -0.859 0.000 1.361 927 M HN 0.102 nan 8.290 nan 0.000 0.408 928 S N -0.832 114.663 115.700 -0.342 0.000 2.383 928 S HA -0.153 4.308 4.470 -0.016 0.000 0.227 928 S C 1.790 176.322 174.600 -0.113 0.000 1.026 928 S CA 1.481 59.550 58.200 -0.218 0.000 0.981 928 S CB -0.849 62.230 63.200 -0.202 0.000 0.818 928 S HN 0.694 nan 8.310 nan 0.000 0.472 929 E N 0.730 120.888 120.200 -0.071 0.000 2.204 929 E HA -0.027 4.313 4.350 -0.016 0.000 0.194 929 E C 2.048 178.605 176.600 -0.071 0.000 0.989 929 E CA 0.962 57.357 56.400 -0.008 0.000 0.824 929 E CB -0.269 29.489 29.700 0.097 0.000 0.756 929 E HN 0.411 nan 8.360 nan 0.000 0.477 930 V N 1.393 121.182 119.914 -0.208 0.000 2.295 930 V HA -0.282 3.828 4.120 -0.016 0.000 0.246 930 V C 2.360 178.260 176.094 -0.322 0.000 1.049 930 V CA 1.892 63.858 62.300 -0.557 0.000 1.024 930 V CB -0.727 30.683 31.823 -0.688 0.000 0.648 930 V HN 0.325 nan 8.190 nan 0.000 0.447 931 A N -0.265 122.440 122.820 -0.191 0.000 1.883 931 A HA -0.191 4.120 4.320 -0.016 0.000 0.217 931 A C 2.394 179.963 177.584 -0.024 0.000 1.186 931 A CA 2.325 54.310 52.037 -0.088 0.000 0.624 931 A CB -0.753 18.210 19.000 -0.061 0.000 0.822 931 A HN 0.341 nan 8.150 nan 0.000 0.444 932 V N -0.426 119.480 119.914 -0.012 0.000 2.358 932 V HA -0.202 3.908 4.120 -0.016 0.000 0.246 932 V C 2.748 178.878 176.094 0.059 0.000 1.047 932 V CA 2.401 64.721 62.300 0.034 0.000 1.035 932 V CB -1.201 30.650 31.823 0.046 0.000 0.658 932 V HN 0.624 nan 8.190 nan 0.000 0.452 933 T N -1.016 113.580 114.554 0.070 0.000 2.684 933 T HA -0.240 4.100 4.350 -0.016 0.000 0.267 933 T C 1.866 176.657 174.700 0.152 0.000 1.036 933 T CA 2.023 64.210 62.100 0.145 0.000 1.148 933 T CB -0.518 68.514 68.868 0.274 0.000 0.863 933 T HN 0.530 nan 8.240 nan 0.000 0.436 934 C N 0.726 120.104 119.300 0.131 0.000 2.456 934 C HA 0.357 4.808 4.460 -0.016 0.000 0.279 934 C C 2.208 177.248 174.990 0.082 0.000 1.427 934 C CA -0.015 59.079 59.018 0.126 0.000 1.778 934 C CB -1.483 26.313 27.740 0.093 0.000 1.842 934 C HN 0.864 nan 8.230 nan 0.000 0.531 935 G N 0.495 109.335 108.800 0.067 0.000 2.176 935 G HA2 -0.238 3.712 3.960 -0.016 0.000 0.252 935 G HA3 -0.238 3.712 3.960 -0.016 0.000 0.252 935 G C -0.127 174.805 174.900 0.054 0.000 1.024 935 G CA 0.073 45.208 45.100 0.059 0.000 0.755 935 G HN 0.530 nan 8.290 nan 0.000 0.507 936 L N 0.239 121.492 121.223 0.050 0.000 2.332 936 L HA 0.590 4.920 4.340 -0.016 0.000 0.269 936 L C -1.603 175.306 176.870 0.065 0.000 1.016 936 L CA -2.493 52.381 54.840 0.056 0.000 0.809 936 L CB 1.489 43.579 42.059 0.052 0.000 1.280 936 L HN -0.071 nan 8.230 nan 0.000 0.447 937 P HA 0.126 nan 4.420 nan 0.000 0.274 937 P C -0.091 177.282 177.300 0.121 0.000 1.231 937 P CA -0.329 62.841 63.100 0.117 0.000 0.790 937 P CB 1.082 32.877 31.700 0.160 0.000 0.951 938 A N 2.770 125.666 122.820 0.126 0.000 1.873 938 A HA -0.192 4.119 4.320 -0.016 0.000 0.215 938 A C 1.796 179.471 177.584 0.152 0.000 1.186 938 A CA 1.559 53.653 52.037 0.095 0.000 0.616 938 A CB -1.152 17.893 19.000 0.075 0.000 0.823 938 A HN 0.581 nan 8.150 nan 0.000 0.442 939 E N 0.361 120.697 120.200 0.227 0.000 2.160 939 E HA -0.203 4.137 4.350 -0.016 0.000 0.195 939 E C 1.775 178.605 176.600 0.383 0.000 0.991 939 E CA 1.384 58.003 56.400 0.365 0.000 0.810 939 E CB -0.324 29.505 29.700 0.215 0.000 0.742 939 E HN 0.798 nan 8.360 nan 0.000 0.466 940 E N 0.361 120.725 120.200 0.274 0.000 2.107 940 E HA -0.118 4.223 4.350 -0.016 0.000 0.191 940 E C 1.861 178.576 176.600 0.192 0.000 0.982 940 E CA 0.909 57.461 56.400 0.254 0.000 0.809 940 E CB 0.210 30.025 29.700 0.192 0.000 0.756 940 E HN 0.149 nan 8.360 nan 0.000 0.459 941 V N 0.809 120.781 119.914 0.095 0.000 2.488 941 V HA -0.160 3.950 4.120 -0.016 0.000 0.246 941 V C 2.332 178.369 176.094 -0.095 0.000 1.046 941 V CA 1.356 63.648 62.300 -0.013 0.000 1.053 941 V CB -0.353 31.434 31.823 -0.061 0.000 0.679 941 V HN 0.202 nan 8.190 nan 0.000 0.458 942 R N -0.823 119.636 120.500 -0.067 0.000 2.073 942 R HA -0.208 4.123 4.340 -0.016 0.000 0.234 942 R C 2.268 178.507 176.300 -0.102 0.000 1.134 942 R CA 2.066 58.084 56.100 -0.137 0.000 0.952 942 R CB -0.471 29.825 30.300 -0.007 0.000 0.850 942 R HN 0.716 nan 8.270 nan 0.000 0.433 943 W N 2.398 123.531 121.300 -0.278 0.000 2.355 943 W HA -0.213 4.438 4.660 -0.015 0.000 0.309 943 W C 1.258 177.683 176.519 -0.158 0.000 1.206 943 W CA 1.369 58.525 57.345 -0.316 0.000 1.284 943 W CB -0.187 29.137 29.460 -0.226 0.000 1.145 943 W HN 0.020 nan 8.180 nan 0.000 0.502 944 K N -0.011 120.294 120.400 -0.158 0.000 2.173 944 K HA -0.215 4.095 4.320 -0.016 0.000 0.207 944 K C 1.473 177.901 176.600 -0.287 0.000 1.046 944 K CA 1.706 57.853 56.287 -0.232 0.000 0.929 944 K CB -0.320 32.135 32.500 -0.074 0.000 0.720 944 K HN 0.160 nan 8.250 nan 0.000 0.453 945 N N -0.040 118.516 118.700 -0.240 0.000 2.280 945 N HA 0.070 4.801 4.740 -0.016 0.000 0.192 945 N C 0.119 175.543 175.510 -0.144 0.000 1.109 945 N CA 0.114 53.048 53.050 -0.193 0.000 0.855 945 N CB 0.342 38.692 38.487 -0.229 0.000 0.974 945 N HN 0.169 nan 8.380 nan 0.000 0.482 946 M N 0.970 120.448 119.600 -0.202 0.000 2.249 946 M HA 0.017 4.488 4.480 -0.016 0.000 0.340 946 M C -0.054 176.088 176.300 -0.263 0.000 1.166 946 M CA 0.078 55.262 55.300 -0.193 0.000 1.115 946 M CB 0.345 32.792 32.600 -0.255 0.000 1.606 946 M HN 0.043 nan 8.290 nan 0.000 0.448 947 Y N 2.445 122.580 120.300 -0.274 0.000 2.607 947 Y HA -0.033 4.508 4.550 -0.015 0.000 0.348 947 Y C 0.554 176.170 175.900 -0.475 0.000 1.261 947 Y CA 0.291 58.097 58.100 -0.489 0.000 1.480 947 Y CB 0.374 38.297 38.460 -0.895 0.000 1.358 947 Y HN 0.404 nan 8.280 nan 0.000 0.630 948 K N 1.056 121.312 120.400 -0.239 0.000 2.281 948 K HA 0.206 4.517 4.320 -0.016 0.000 0.242 948 K C -0.873 175.603 176.600 -0.208 0.000 0.971 948 K CA -1.377 54.816 56.287 -0.157 0.000 0.834 948 K CB 1.437 33.866 32.500 -0.119 0.000 1.181 948 K HN 0.560 nan 8.250 nan 0.000 0.435 949 E N 0.254 120.434 120.200 -0.035 0.000 2.820 949 E HA 0.037 4.378 4.350 -0.016 0.000 0.251 949 E C 0.790 177.336 176.600 -0.089 0.000 0.944 949 E CA 1.862 58.248 56.400 -0.023 0.000 0.955 949 E CB -0.428 29.297 29.700 0.041 0.000 0.904 949 E HN 0.728 nan 8.360 nan 0.000 0.513 950 G N 3.786 112.513 108.800 -0.122 0.000 2.195 950 G HA2 -0.244 3.706 3.960 -0.016 0.000 0.246 950 G HA3 -0.244 3.706 3.960 -0.016 0.000 0.246 950 G C -0.049 174.760 174.900 -0.150 0.000 0.984 950 G CA -0.010 45.025 45.100 -0.109 0.000 0.633 950 G HN 0.646 nan 8.290 nan 0.000 0.525 951 D N 0.418 120.688 120.400 -0.217 0.000 2.378 951 D HA 0.425 5.055 4.640 -0.016 0.000 0.238 951 D C 1.245 177.377 176.300 -0.280 0.000 1.180 951 D CA 0.199 54.074 54.000 -0.209 0.000 0.895 951 D CB 0.635 41.344 40.800 -0.152 0.000 1.192 951 D HN 0.341 nan 8.370 nan 0.000 0.438 952 L N 0.771 121.869 121.223 -0.208 0.000 2.379 952 L HA 0.293 4.623 4.340 -0.016 0.000 0.269 952 L C 1.326 178.018 176.870 -0.296 0.000 1.084 952 L CA -0.698 53.987 54.840 -0.258 0.000 0.802 952 L CB 1.262 43.223 42.059 -0.162 0.000 1.175 952 L HN 0.434 nan 8.230 nan 0.000 0.448 953 T N -3.390 110.867 114.554 -0.494 0.000 2.810 953 T HA 0.095 4.435 4.350 -0.016 0.000 0.277 953 T C 1.312 175.875 174.700 -0.227 0.000 0.973 953 T CA -0.390 61.435 62.100 -0.458 0.000 0.949 953 T CB 0.565 68.794 68.868 -1.065 0.000 1.075 953 T HN 0.730 nan 8.240 nan 0.000 0.537 954 H N 0.136 119.146 119.070 -0.100 0.000 2.518 954 H HA -0.023 4.524 4.556 -0.015 0.000 0.289 954 H C 1.092 176.490 175.328 0.117 0.000 1.051 954 H CA 0.968 57.053 56.048 0.061 0.000 1.280 954 H CB -0.855 29.012 29.762 0.174 0.000 1.380 954 H HN 0.763 nan 8.280 nan 0.000 0.566 955 F N 0.391 120.149 119.950 -0.320 0.000 2.730 955 F HA 0.413 4.930 4.527 -0.016 0.000 0.295 955 F C 0.014 175.790 175.800 -0.041 0.000 1.143 955 F CA -1.083 56.807 58.000 -0.184 0.000 1.367 955 F CB -0.229 38.533 39.000 -0.397 0.000 0.970 955 F HN -0.165 nan 8.300 nan 0.000 0.514 956 N N 1.299 119.861 118.700 -0.230 0.000 2.725 956 N HA -0.275 4.455 4.740 -0.016 0.000 0.249 956 N C -0.221 175.179 175.510 -0.183 0.000 1.103 956 N CA 1.013 53.972 53.050 -0.151 0.000 0.707 956 N CB -1.094 37.384 38.487 -0.015 0.000 1.043 956 N HN 0.760 nan 8.380 nan 0.000 0.553 957 Q N 0.356 119.916 119.800 -0.399 0.000 2.241 957 Q HA 0.318 4.648 4.340 -0.016 0.000 0.254 957 Q C 0.140 175.991 176.000 -0.248 0.000 0.917 957 Q CA -0.650 55.017 55.803 -0.226 0.000 0.919 957 Q CB 1.288 29.987 28.738 -0.064 0.000 1.237 957 Q HN 0.213 nan 8.270 nan 0.000 0.434 958 R N 3.761 124.190 120.500 -0.118 0.000 2.442 958 R HA 0.176 4.507 4.340 -0.016 0.000 0.291 958 R C -0.925 175.311 176.300 -0.108 0.000 1.069 958 R CA -0.094 55.931 56.100 -0.125 0.000 1.022 958 R CB 0.338 30.604 30.300 -0.057 0.000 0.976 958 R HN 0.607 nan 8.270 nan 0.000 0.443 959 L N 5.622 126.714 121.223 -0.218 0.000 2.270 959 L HA 0.256 4.586 4.340 -0.016 0.000 0.286 959 L C -0.220 176.638 176.870 -0.020 0.000 1.059 959 L CA -0.102 54.629 54.840 -0.181 0.000 0.839 959 L CB 1.023 42.777 42.059 -0.507 0.000 1.221 959 L HN 0.607 nan 8.230 nan 0.000 0.431 960 E N 2.266 122.526 120.200 0.101 0.000 2.179 960 E HA 0.484 4.825 4.350 -0.016 0.000 0.275 960 E C 0.626 177.325 176.600 0.166 0.000 0.945 960 E CA -0.671 55.789 56.400 0.100 0.000 0.792 960 E CB 1.749 31.492 29.700 0.071 0.000 1.125 960 E HN 0.673 nan 8.360 nan 0.000 0.397 961 G N 2.633 111.507 108.800 0.123 0.000 2.272 961 G HA2 -0.313 3.637 3.960 -0.016 0.000 0.280 961 G HA3 -0.313 3.637 3.960 -0.016 0.000 0.280 961 G C -0.406 174.580 174.900 0.143 0.000 1.067 961 G CA -0.067 45.105 45.100 0.120 0.000 0.902 961 G HN 0.503 nan 8.290 nan 0.000 0.500 962 F N 2.267 122.157 119.950 -0.100 0.000 2.468 962 F HA 0.475 4.992 4.527 -0.016 0.000 0.356 962 F C 1.300 176.838 175.800 -0.438 0.000 1.167 962 F CA -0.305 57.468 58.000 -0.378 0.000 1.135 962 F CB 0.592 39.415 39.000 -0.295 0.000 1.197 962 F HN 0.244 nan 8.300 nan 0.000 0.569 963 S N 2.713 117.804 115.700 -1.015 0.000 2.568 963 S HA 0.074 4.535 4.470 -0.016 0.000 0.232 963 S C 1.436 175.677 174.600 -0.598 0.000 0.975 963 S CA 0.053 57.922 58.200 -0.552 0.000 0.949 963 S CB -0.277 62.797 63.200 -0.210 0.000 0.829 963 S HN 0.417 nan 8.310 nan 0.000 0.479 964 V N 2.847 122.097 119.914 -1.106 0.000 2.332 964 V HA -0.095 4.016 4.120 -0.016 0.000 0.248 964 V C -0.391 175.581 176.094 -0.203 0.000 1.055 964 V CA 1.878 63.808 62.300 -0.617 0.000 1.038 964 V CB -1.775 29.614 31.823 -0.723 0.000 0.651 964 V HN 0.370 nan 8.190 nan 0.000 0.450 965 P HA -0.184 nan 4.420 nan 0.000 0.214 965 P C 1.808 179.214 177.300 0.177 0.000 1.163 965 P CA 1.599 64.799 63.100 0.167 0.000 0.889 965 P CB -0.141 31.679 31.700 0.200 0.000 0.790 966 R N -0.985 119.551 120.500 0.059 0.000 2.094 966 R HA -0.185 4.145 4.340 -0.016 0.000 0.239 966 R C 2.369 178.704 176.300 0.058 0.000 1.137 966 R CA 2.011 58.140 56.100 0.048 0.000 0.943 966 R CB -1.349 28.953 30.300 0.004 0.000 0.850 966 R HN 0.246 nan 8.270 nan 0.000 0.433 967 C N -0.582 118.745 119.300 0.045 0.000 2.413 967 C HA -0.182 4.269 4.460 -0.016 0.000 0.276 967 C C 2.417 177.472 174.990 0.107 0.000 1.236 967 C CA 0.327 59.383 59.018 0.062 0.000 1.735 967 C CB -1.227 26.551 27.740 0.064 0.000 2.031 967 C HN 0.677 nan 8.230 nan 0.000 0.474 968 W N 1.676 122.954 121.300 -0.036 0.000 2.317 968 W HA -0.202 4.449 4.660 -0.016 0.000 0.318 968 W C 2.131 178.601 176.519 -0.081 0.000 1.227 968 W CA 2.296 59.618 57.345 -0.039 0.000 1.269 968 W CB -0.805 28.677 29.460 0.036 0.000 1.155 968 W HN 0.399 nan 8.180 nan 0.000 0.484 969 D N -0.137 120.348 120.400 0.143 0.000 2.123 969 D HA -0.214 4.417 4.640 -0.016 0.000 0.196 969 D C 2.042 178.303 176.300 -0.067 0.000 0.992 969 D CA 2.026 56.028 54.000 0.003 0.000 0.833 969 D CB -0.240 40.589 40.800 0.048 0.000 0.954 969 D HN 0.264 nan 8.370 nan 0.000 0.455 970 E N -0.690 119.487 120.200 -0.039 0.000 2.152 970 E HA -0.109 4.231 4.350 -0.016 0.000 0.192 970 E C 2.157 178.704 176.600 -0.089 0.000 0.983 970 E CA 0.378 56.749 56.400 -0.050 0.000 0.818 970 E CB -0.106 29.579 29.700 -0.025 0.000 0.758 970 E HN 0.334 nan 8.360 nan 0.000 0.467 971 C N 0.775 119.998 119.300 -0.130 0.000 2.429 971 C HA -0.084 4.366 4.460 -0.016 0.000 0.277 971 C C 2.522 177.362 174.990 -0.250 0.000 1.262 971 C CA 0.555 59.464 59.018 -0.181 0.000 1.733 971 C CB -0.948 26.665 27.740 -0.211 0.000 2.010 971 C HN 0.380 nan 8.230 nan 0.000 0.483 972 L N 0.443 121.446 121.223 -0.366 0.000 2.042 972 L HA -0.190 4.140 4.340 -0.016 0.000 0.210 972 L C 2.737 179.506 176.870 -0.168 0.000 1.076 972 L CA 1.833 56.448 54.840 -0.374 0.000 0.749 972 L CB -0.552 41.232 42.059 -0.457 0.000 0.893 972 L HN 0.385 nan 8.230 nan 0.000 0.432 973 K N -0.490 119.842 120.400 -0.113 0.000 2.076 973 K HA -0.071 4.240 4.320 -0.016 0.000 0.204 973 K C 2.255 178.831 176.600 -0.041 0.000 1.051 973 K CA 1.516 57.774 56.287 -0.048 0.000 0.949 973 K CB -0.047 32.434 32.500 -0.031 0.000 0.726 973 K HN 0.326 nan 8.250 nan 0.000 0.443 974 S N 0.280 115.947 115.700 -0.055 0.000 2.496 974 S HA -0.055 4.406 4.470 -0.016 0.000 0.224 974 S C 1.859 176.433 174.600 -0.043 0.000 0.996 974 S CA 0.851 59.026 58.200 -0.042 0.000 0.927 974 S CB 0.042 63.217 63.200 -0.041 0.000 0.774 974 S HN 0.221 nan 8.310 nan 0.000 0.524 975 S N 1.001 116.666 115.700 -0.058 0.000 2.528 975 S HA 0.089 4.549 4.470 -0.016 0.000 0.219 975 S C 0.591 175.171 174.600 -0.033 0.000 0.985 975 S CA 0.005 58.177 58.200 -0.047 0.000 0.914 975 S CB -0.783 62.382 63.200 -0.059 0.000 0.776 975 S HN 0.570 nan 8.310 nan 0.000 0.526 976 Q N -0.399 119.384 119.800 -0.029 0.000 2.451 976 Q HA -0.285 4.046 4.340 -0.016 0.000 0.305 976 Q C 0.200 176.182 176.000 -0.030 0.000 1.345 976 Q CA 0.709 56.503 55.803 -0.014 0.000 0.854 976 Q CB -2.531 26.199 28.738 -0.013 0.000 1.162 976 Q HN 0.755 nan 8.270 nan 0.000 0.440 977 Y N -0.132 120.041 120.300 -0.212 0.000 2.069 977 Y HA -0.362 4.185 4.550 -0.004 0.000 0.278 977 Y C 1.643 177.382 175.900 -0.269 0.000 1.175 977 Y CA 2.639 60.546 58.100 -0.322 0.000 1.134 977 Y CB -0.322 37.798 38.460 -0.566 0.000 0.965 977 Y HN 0.427 nan 8.280 nan 0.000 0.498 978 Y N -0.790 119.480 120.300 -0.050 0.000 2.220 978 Y HA -0.107 4.430 4.550 -0.023 0.000 0.291 978 Y C 2.651 178.469 175.900 -0.136 0.000 1.129 978 Y CA 0.752 58.776 58.100 -0.126 0.000 1.161 978 Y CB -0.916 37.543 38.460 -0.001 0.000 0.997 978 Y HN 0.221 nan 8.280 nan 0.000 0.522 979 A N 0.901 123.756 122.820 0.057 0.000 1.865 979 A HA -0.241 4.069 4.320 -0.016 0.000 0.217 979 A C 2.226 179.778 177.584 -0.053 0.000 1.191 979 A CA 1.916 53.955 52.037 0.004 0.000 0.623 979 A CB -0.662 18.342 19.000 0.008 0.000 0.826 979 A HN 0.382 nan 8.150 nan 0.000 0.444 980 R N -0.633 119.807 120.500 -0.099 0.000 2.120 980 R HA -0.141 4.189 4.340 -0.016 0.000 0.234 980 R C 2.309 178.505 176.300 -0.173 0.000 1.123 980 R CA 1.482 57.506 56.100 -0.126 0.000 0.975 980 R CB -0.310 29.911 30.300 -0.131 0.000 0.866 980 R HN 0.646 nan 8.270 nan 0.000 0.446 981 K N 0.670 120.907 120.400 -0.271 0.000 2.063 981 K HA -0.125 4.185 4.320 -0.016 0.000 0.208 981 K C 2.002 178.538 176.600 -0.105 0.000 1.048 981 K CA 1.825 57.960 56.287 -0.253 0.000 0.928 981 K CB 0.072 32.361 32.500 -0.352 0.000 0.713 981 K HN 0.025 nan 8.250 nan 0.000 0.442 982 S N 0.996 116.659 115.700 -0.062 0.000 2.370 982 S HA -0.162 4.299 4.470 -0.016 0.000 0.226 982 S C 1.706 176.300 174.600 -0.009 0.000 1.033 982 S CA 1.522 59.708 58.200 -0.022 0.000 1.011 982 S CB -0.308 62.886 63.200 -0.010 0.000 0.852 982 S HN 0.343 nan 8.310 nan 0.000 0.457 983 E N 0.890 121.080 120.200 -0.016 0.000 2.110 983 E HA -0.071 4.270 4.350 -0.016 0.000 0.193 983 E C 2.034 178.662 176.600 0.047 0.000 0.988 983 E CA 0.663 57.071 56.400 0.013 0.000 0.804 983 E CB -0.398 29.299 29.700 -0.005 0.000 0.745 983 E HN 0.300 nan 8.360 nan 0.000 0.458 984 V N 1.331 121.247 119.914 0.004 0.000 2.270 984 V HA -0.247 3.863 4.120 -0.016 0.000 0.245 984 V C 1.574 177.716 176.094 0.080 0.000 1.043 984 V CA 2.029 64.342 62.300 0.022 0.000 1.014 984 V CB -0.535 31.262 31.823 -0.044 0.000 0.645 984 V HN 0.253 nan 8.190 nan 0.000 0.447 985 D N 0.051 120.473 120.400 0.038 0.000 2.116 985 D HA -0.229 4.402 4.640 -0.016 0.000 0.193 985 D C 2.100 178.427 176.300 0.045 0.000 0.998 985 D CA 1.592 55.614 54.000 0.036 0.000 0.836 985 D CB -0.289 40.519 40.800 0.014 0.000 0.951 985 D HN 0.401 nan 8.370 nan 0.000 0.449 986 K N -0.230 120.198 120.400 0.048 0.000 2.032 986 K HA -0.169 4.141 4.320 -0.016 0.000 0.209 986 K C 2.205 178.836 176.600 0.051 0.000 1.048 986 K CA 0.846 57.156 56.287 0.038 0.000 0.927 986 K CB -0.365 32.157 32.500 0.038 0.000 0.712 986 K HN 0.072 nan 8.250 nan 0.000 0.441 987 F N 2.177 122.113 119.950 -0.025 0.000 2.161 987 F HA -0.217 4.292 4.527 -0.029 0.000 0.300 987 F C 1.682 177.467 175.800 -0.025 0.000 1.089 987 F CA 1.567 59.555 58.000 -0.020 0.000 1.282 987 F CB -0.081 38.909 39.000 -0.017 0.000 1.010 987 F HN 0.157 nan 8.300 nan 0.000 0.485 988 N N 0.368 119.159 118.700 0.150 0.000 2.409 988 N HA -0.091 4.640 4.740 -0.016 0.000 0.179 988 N C 1.579 177.051 175.510 -0.064 0.000 1.032 988 N CA 0.849 53.931 53.050 0.053 0.000 0.898 988 N CB -0.285 38.252 38.487 0.084 0.000 0.971 988 N HN 0.388 nan 8.380 nan 0.000 0.441 989 K N 0.806 121.166 120.400 -0.066 0.000 2.217 989 K HA 0.013 4.323 4.320 -0.016 0.000 0.202 989 K C 1.063 177.585 176.600 -0.130 0.000 1.051 989 K CA 0.813 57.047 56.287 -0.088 0.000 0.952 989 K CB 0.164 32.629 32.500 -0.058 0.000 0.736 989 K HN 0.293 nan 8.250 nan 0.000 0.453 990 E N -0.123 119.969 120.200 -0.181 0.000 2.476 990 E HA 0.080 4.420 4.350 -0.016 0.000 0.199 990 E C -0.127 176.310 176.600 -0.272 0.000 1.021 990 E CA -0.039 56.237 56.400 -0.208 0.000 0.907 990 E CB 0.469 30.041 29.700 -0.214 0.000 0.974 990 E HN 0.175 nan 8.360 nan 0.000 0.489 991 N N -0.240 118.259 118.700 -0.333 0.000 2.284 991 N HA 0.131 4.862 4.740 -0.016 0.000 0.300 991 N C -0.566 174.815 175.510 -0.216 0.000 1.047 991 N CA -0.266 52.590 53.050 -0.323 0.000 0.821 991 N CB 2.169 40.319 38.487 -0.562 0.000 1.337 991 N HN -0.030 nan 8.380 nan 0.000 0.482 992 C N 1.099 120.287 119.300 -0.187 0.000 2.469 992 C HA 0.240 4.691 4.460 -0.016 0.000 0.309 992 C C 1.000 175.799 174.990 -0.320 0.000 1.385 992 C CA -0.172 58.634 59.018 -0.353 0.000 1.890 992 C CB -0.482 26.985 27.740 -0.454 0.000 2.245 992 C HN 0.872 nan 8.230 nan 0.000 0.530 993 W N 1.572 122.937 121.300 0.109 0.000 3.123 993 W HA 0.433 5.095 4.660 0.003 0.000 0.383 993 W C 0.427 177.008 176.519 0.103 0.000 1.102 993 W CA -0.258 57.164 57.345 0.129 0.000 1.865 993 W CB 0.209 29.724 29.460 0.091 0.000 1.111 993 W HN 0.059 nan 8.180 nan 0.000 0.621 994 K N 1.004 121.556 120.400 0.253 0.000 2.498 994 K HA 0.455 4.766 4.320 -0.016 0.000 0.254 994 K C -0.397 176.378 176.600 0.292 0.000 0.933 994 K CA -0.884 55.561 56.287 0.264 0.000 0.806 994 K CB 2.259 34.944 32.500 0.309 0.000 1.301 994 K HN -0.430 nan 8.250 nan 0.000 0.432 995 K N 1.810 122.377 120.400 0.278 0.000 2.536 995 K HA 0.497 4.807 4.320 -0.016 0.000 0.269 995 K C -0.947 175.738 176.600 0.142 0.000 0.965 995 K CA -0.814 55.630 56.287 0.262 0.000 0.860 995 K CB 2.215 34.798 32.500 0.138 0.000 1.423 995 K HN 0.535 nan 8.250 nan 0.000 0.438 996 R N -0.357 120.194 120.500 0.085 0.000 2.778 996 R HA 0.765 5.095 4.340 -0.016 0.000 0.277 996 R C -0.189 176.095 176.300 -0.027 0.000 0.977 996 R CA -0.972 55.076 56.100 -0.087 0.000 0.950 996 R CB 2.090 32.207 30.300 -0.304 0.000 1.165 996 R HN 0.757 nan 8.270 nan 0.000 0.474 997 G N 1.131 109.903 108.800 -0.046 0.000 2.659 997 G HA2 0.609 4.559 3.960 -0.016 0.000 0.296 997 G HA3 0.609 4.559 3.960 -0.016 0.000 0.296 997 G C -2.072 172.814 174.900 -0.023 0.000 1.369 997 G CA -0.447 44.643 45.100 -0.017 0.000 0.937 997 G HN 0.381 nan 8.290 nan 0.000 0.485 998 L N 0.887 122.111 121.223 0.001 0.000 2.505 998 L HA 0.788 5.119 4.340 -0.016 0.000 0.266 998 L C -0.977 175.952 176.870 0.098 0.000 0.954 998 L CA -0.500 54.350 54.840 0.016 0.000 0.852 998 L CB 1.641 43.663 42.059 -0.061 0.000 1.282 998 L HN 0.808 nan 8.230 nan 0.000 0.403 999 C N 5.526 124.905 119.300 0.132 0.000 2.898 999 C HA 0.744 5.194 4.460 -0.016 0.000 0.304 999 C C -1.195 173.859 174.990 0.105 0.000 1.237 999 C CA -0.717 58.394 59.018 0.155 0.000 1.529 999 C CB 1.416 29.251 27.740 0.159 0.000 2.021 999 C HN 0.917 nan 8.230 nan 0.000 0.474 1000 I N 4.741 125.322 120.570 0.019 0.000 2.499 1000 I HA 0.675 4.835 4.170 -0.016 0.000 0.288 1000 I C -1.618 174.520 176.117 0.035 0.000 1.048 1000 I CA -0.591 60.631 61.300 -0.131 0.000 1.062 1000 I CB 1.402 39.048 38.000 -0.589 0.000 1.238 1000 I HN 0.650 nan 8.210 nan 0.000 0.426 1001 I N 9.850 130.482 120.570 0.103 0.000 2.533 1001 I HA 0.542 4.702 4.170 -0.016 0.000 0.290 1001 I C -2.416 173.886 176.117 0.309 0.000 1.056 1001 I CA -1.959 59.475 61.300 0.223 0.000 1.057 1001 I CB 2.654 40.723 38.000 0.114 0.000 1.240 1001 I HN 0.349 nan 8.210 nan 0.000 0.423 1002 P HA 0.459 nan 4.420 nan 0.000 0.283 1002 P C -0.948 176.525 177.300 0.288 0.000 1.278 1002 P CA -0.488 62.800 63.100 0.313 0.000 0.834 1002 P CB 2.028 33.849 31.700 0.201 0.000 1.150 1003 T N -1.087 113.630 114.554 0.272 0.000 2.885 1003 T HA 0.520 4.861 4.350 -0.016 0.000 0.322 1003 T C -1.674 173.210 174.700 0.307 0.000 1.387 1003 T CA -0.715 61.564 62.100 0.299 0.000 1.041 1003 T CB 1.080 70.203 68.868 0.426 0.000 1.287 1003 T HN 0.686 nan 8.240 nan 0.000 0.491 1004 K N 2.021 122.599 120.400 0.297 0.000 2.477 1004 K HA 0.804 5.115 4.320 -0.016 0.000 0.255 1004 K C -1.991 174.827 176.600 0.363 0.000 0.952 1004 K CA -0.906 55.560 56.287 0.299 0.000 0.826 1004 K CB 2.175 34.882 32.500 0.345 0.000 1.331 1004 K HN 0.443 nan 8.250 nan 0.000 0.437 1005 F N 1.080 121.089 119.950 0.098 0.000 2.653 1005 F HA 0.409 4.926 4.527 -0.016 0.000 0.327 1005 F C -0.244 175.443 175.800 -0.190 0.000 1.195 1005 F CA -0.253 57.779 58.000 0.053 0.000 0.993 1005 F CB 2.003 40.955 39.000 -0.080 0.000 1.259 1005 F HN 0.830 nan 8.300 nan 0.000 0.478 1006 G N 6.245 114.586 108.800 -0.764 0.000 2.398 1006 G HA2 0.411 4.361 3.960 -0.016 0.000 0.246 1006 G HA3 0.411 4.361 3.960 -0.016 0.000 0.246 1006 G C -0.710 173.465 174.900 -1.208 0.000 1.289 1006 G CA -0.395 43.574 45.100 -1.885 0.000 0.869 1006 G HN 0.487 nan 8.290 nan 0.000 0.543 1007 I N 1.373 121.434 120.570 -0.849 0.000 2.355 1007 I HA 0.538 4.698 4.170 -0.016 0.000 0.288 1007 I C 0.212 176.185 176.117 -0.241 0.000 0.999 1007 I CA -0.218 60.778 61.300 -0.506 0.000 1.163 1007 I CB 0.238 37.719 38.000 -0.866 0.000 1.316 1007 I HN 0.487 nan 8.210 nan 0.000 0.454 1008 S N 4.516 120.132 115.700 -0.141 0.000 2.884 1008 S HA 0.141 4.601 4.470 -0.016 0.000 0.258 1008 S C -0.765 173.774 174.600 -0.101 0.000 0.705 1008 S CA -0.928 57.223 58.200 -0.082 0.000 0.984 1008 S CB 0.037 63.226 63.200 -0.018 0.000 1.233 1008 S HN 0.319 nan 8.310 nan 0.000 0.542 1009 F N 2.283 122.176 119.950 -0.096 0.000 2.529 1009 F HA 0.173 4.691 4.527 -0.015 0.000 0.365 1009 F C 2.313 178.047 175.800 -0.110 0.000 1.102 1009 F CA 0.788 58.716 58.000 -0.120 0.000 1.271 1009 F CB 0.742 39.640 39.000 -0.171 0.000 1.120 1009 F HN 0.800 nan 8.300 nan 0.000 0.579 1010 T N -1.023 113.611 114.554 0.134 0.000 3.007 1010 T HA -0.018 4.322 4.350 -0.016 0.000 0.270 1010 T C 0.524 175.276 174.700 0.086 0.000 1.107 1010 T CA 0.281 62.430 62.100 0.082 0.000 1.118 1010 T CB -0.511 68.519 68.868 0.269 0.000 0.889 1010 T HN 0.188 nan 8.240 nan 0.000 0.506 1011 V N 4.016 123.955 119.914 0.041 0.000 2.372 1011 V HA 0.210 4.321 4.120 -0.016 0.000 0.261 1011 V C -1.213 174.738 176.094 -0.237 0.000 1.055 1011 V CA -1.589 60.628 62.300 -0.137 0.000 0.930 1011 V CB 1.016 32.633 31.823 -0.343 0.000 1.031 1011 V HN 0.214 nan 8.190 nan 0.000 0.479 1012 P HA -0.188 nan 4.420 nan 0.000 0.216 1012 P C 1.519 178.770 177.300 -0.082 0.000 1.150 1012 P CA 1.395 64.451 63.100 -0.073 0.000 0.843 1012 P CB -0.014 31.688 31.700 0.003 0.000 0.787 1013 F N -1.576 118.344 119.950 -0.050 0.000 2.604 1013 F HA 0.049 4.567 4.527 -0.015 0.000 0.298 1013 F C 1.512 177.229 175.800 -0.139 0.000 1.131 1013 F CA 0.680 58.636 58.000 -0.074 0.000 1.457 1013 F CB -1.709 37.259 39.000 -0.053 0.000 1.095 1013 F HN -0.198 nan 8.300 nan 0.000 0.574 1014 L N 0.672 121.612 121.223 -0.472 0.000 2.395 1014 L HA -0.003 4.327 4.340 -0.016 0.000 0.218 1014 L C 0.712 177.381 176.870 -0.334 0.000 1.130 1014 L CA 0.342 54.841 54.840 -0.569 0.000 0.826 1014 L CB -0.692 40.569 42.059 -1.330 0.000 0.941 1014 L HN 0.130 nan 8.230 nan 0.000 0.451 1015 N N 2.744 121.359 118.700 -0.142 0.000 3.178 1015 N HA 0.056 4.787 4.740 -0.016 0.000 0.300 1015 N C -0.463 174.943 175.510 -0.174 0.000 1.242 1015 N CA 0.164 53.177 53.050 -0.062 0.000 1.192 1015 N CB 0.220 38.672 38.487 -0.059 0.000 1.463 1015 N HN 0.518 nan 8.380 nan 0.000 0.539 1016 Q N -0.791 118.891 119.800 -0.197 0.000 2.418 1016 Q HA 0.830 5.161 4.340 -0.016 0.000 0.282 1016 Q C -1.881 173.892 176.000 -0.378 0.000 1.044 1016 Q CA -1.286 54.316 55.803 -0.335 0.000 0.813 1016 Q CB 2.240 30.896 28.738 -0.136 0.000 1.428 1016 Q HN 0.111 nan 8.270 nan 0.000 0.402 1017 A N 0.458 122.905 122.820 -0.622 0.000 2.577 1017 A HA 0.853 5.164 4.320 -0.016 0.000 0.297 1017 A C -1.027 176.379 177.584 -0.296 0.000 1.060 1017 A CA -0.117 51.683 52.037 -0.395 0.000 0.697 1017 A CB 1.812 20.434 19.000 -0.629 0.000 1.281 1017 A HN 0.991 nan 8.150 nan 0.000 0.402 1018 G N -0.264 108.638 108.800 0.170 0.000 2.524 1018 G HA2 0.883 4.834 3.960 -0.016 0.000 0.310 1018 G HA3 0.883 4.834 3.960 -0.016 0.000 0.310 1018 G C -0.487 174.600 174.900 0.312 0.000 1.279 1018 G CA 0.103 45.391 45.100 0.315 0.000 0.974 1018 G HN 1.896 nan 8.290 nan 0.000 0.484 1019 A N 0.247 123.214 122.820 0.245 0.000 2.479 1019 A HA 0.869 5.179 4.320 -0.016 0.000 0.296 1019 A C -1.673 175.973 177.584 0.104 0.000 1.121 1019 A CA -0.703 51.443 52.037 0.182 0.000 0.743 1019 A CB 2.144 21.246 19.000 0.170 0.000 1.323 1019 A HN 1.503 nan 8.150 nan 0.000 0.415 1020 L N 1.225 122.465 121.223 0.028 0.000 2.439 1020 L HA 0.714 5.044 4.340 -0.016 0.000 0.270 1020 L C -1.605 175.144 176.870 -0.202 0.000 0.972 1020 L CA -0.078 54.721 54.840 -0.069 0.000 0.836 1020 L CB 1.262 43.281 42.059 -0.068 0.000 1.255 1020 L HN 0.599 nan 8.230 nan 0.000 0.404 1021 I N 4.800 125.237 120.570 -0.221 0.000 2.406 1021 I HA 0.428 4.588 4.170 -0.016 0.000 0.290 1021 I C -0.799 175.113 176.117 -0.341 0.000 0.999 1021 I CA -0.781 60.373 61.300 -0.244 0.000 1.124 1021 I CB 1.521 39.484 38.000 -0.061 0.000 1.289 1021 I HN 0.557 nan 8.210 nan 0.000 0.441 1022 H N 5.297 124.317 119.070 -0.084 0.000 2.469 1022 H HA 0.503 5.050 4.556 -0.016 0.000 0.342 1022 H C -0.691 174.474 175.328 -0.270 0.000 1.115 1022 H CA -0.821 55.076 56.048 -0.252 0.000 1.204 1022 H CB 2.422 31.887 29.762 -0.496 0.000 1.492 1022 H HN 0.182 nan 8.280 nan 0.000 0.499 1023 V N 4.354 124.194 119.914 -0.123 0.000 2.384 1023 V HA 0.189 4.299 4.120 -0.016 0.000 0.287 1023 V C -0.333 175.656 176.094 -0.176 0.000 1.020 1023 V CA -0.774 61.493 62.300 -0.056 0.000 0.850 1023 V CB 0.220 32.090 31.823 0.079 0.000 0.987 1023 V HN 0.598 nan 8.190 nan 0.000 0.436 1024 Y N 1.901 122.239 120.300 0.063 0.000 2.334 1024 Y HA 0.214 4.754 4.550 -0.016 0.000 0.325 1024 Y C 2.122 177.975 175.900 -0.078 0.000 1.308 1024 Y CA 0.141 58.228 58.100 -0.020 0.000 1.389 1024 Y CB 0.991 39.445 38.460 -0.010 0.000 1.328 1024 Y HN 0.752 nan 8.280 nan 0.000 0.532 1025 T N -3.385 111.179 114.554 0.016 0.000 3.007 1025 T HA -0.163 4.178 4.350 -0.016 0.000 0.270 1025 T C 0.908 175.570 174.700 -0.064 0.000 1.107 1025 T CA 1.214 63.238 62.100 -0.127 0.000 1.118 1025 T CB -0.334 68.344 68.868 -0.316 0.000 0.889 1025 T HN 0.743 nan 8.240 nan 0.000 0.506 1026 D N 1.001 121.403 120.400 0.003 0.000 2.349 1026 D HA 0.184 4.815 4.640 -0.016 0.000 0.224 1026 D C 1.696 178.035 176.300 0.066 0.000 1.029 1026 D CA 0.612 54.620 54.000 0.013 0.000 0.879 1026 D CB -0.776 40.030 40.800 0.010 0.000 0.906 1026 D HN 0.577 nan 8.370 nan 0.000 0.528 1027 G N 0.274 109.131 108.800 0.094 0.000 2.176 1027 G HA2 -0.285 3.665 3.960 -0.016 0.000 0.253 1027 G HA3 -0.285 3.665 3.960 -0.016 0.000 0.253 1027 G C 0.373 175.532 174.900 0.431 0.000 0.979 1027 G CA 0.461 45.688 45.100 0.211 0.000 0.641 1027 G HN 0.859 nan 8.290 nan 0.000 0.530 1028 S N -0.657 115.216 115.700 0.287 0.000 2.592 1028 S HA 0.691 5.152 4.470 -0.016 0.000 0.271 1028 S C 0.081 174.887 174.600 0.343 0.000 1.326 1028 S CA -0.027 58.337 58.200 0.273 0.000 1.024 1028 S CB 2.409 65.714 63.200 0.175 0.000 0.921 1028 S HN 1.111 nan 8.310 nan 0.000 0.527 1029 V N 3.038 123.122 119.914 0.284 0.000 2.495 1029 V HA 0.522 4.633 4.120 -0.016 0.000 0.298 1029 V C -0.551 175.691 176.094 0.246 0.000 1.031 1029 V CA -0.845 61.600 62.300 0.243 0.000 0.871 1029 V CB 1.348 33.283 31.823 0.187 0.000 0.988 1029 V HN 0.891 nan 8.190 nan 0.000 0.432 1030 L N 6.044 127.409 121.223 0.237 0.000 2.298 1030 L HA 0.668 4.998 4.340 -0.016 0.000 0.284 1030 L C -0.474 176.426 176.870 0.050 0.000 1.013 1030 L CA 0.120 55.094 54.840 0.224 0.000 0.824 1030 L CB 1.527 43.825 42.059 0.400 0.000 1.221 1030 L HN 0.467 nan 8.230 nan 0.000 0.418 1031 V N 3.975 123.905 119.914 0.026 0.000 2.472 1031 V HA 0.721 4.831 4.120 -0.016 0.000 0.290 1031 V C 0.011 176.073 176.094 -0.053 0.000 1.037 1031 V CA -0.337 61.953 62.300 -0.016 0.000 0.908 1031 V CB 1.627 33.464 31.823 0.024 0.000 0.985 1031 V HN 0.845 nan 8.190 nan 0.000 0.454 1032 S N 3.829 119.497 115.700 -0.054 0.000 2.540 1032 S HA 0.725 5.185 4.470 -0.016 0.000 0.275 1032 S C -1.088 173.496 174.600 -0.026 0.000 1.123 1032 S CA -0.659 57.474 58.200 -0.112 0.000 0.907 1032 S CB 1.174 64.312 63.200 -0.103 0.000 1.081 1032 S HN 1.064 nan 8.310 nan 0.000 0.476 1033 H N 0.749 119.763 119.070 -0.094 0.000 2.990 1033 H HA 0.461 5.007 4.556 -0.016 0.000 0.343 1033 H C 0.861 176.051 175.328 -0.229 0.000 1.270 1033 H CA -0.447 55.540 56.048 -0.102 0.000 1.118 1033 H CB 1.061 30.760 29.762 -0.104 0.000 1.861 1033 H HN 0.715 nan 8.280 nan 0.000 0.544 1034 G N 0.015 108.723 108.800 -0.154 0.000 2.559 1034 G HA2 0.040 3.990 3.960 -0.016 0.000 0.216 1034 G HA3 0.040 3.990 3.960 -0.016 0.000 0.216 1034 G C 0.725 175.364 174.900 -0.434 0.000 1.126 1034 G CA 0.417 45.413 45.100 -0.173 0.000 0.778 1034 G HN 0.811 nan 8.290 nan 0.000 0.543 1035 G N -0.063 108.210 108.800 -0.878 0.000 2.444 1035 G HA2 0.452 4.403 3.960 -0.016 0.000 0.268 1035 G HA3 0.452 4.403 3.960 -0.016 0.000 0.268 1035 G C 0.111 174.887 174.900 -0.206 0.000 1.203 1035 G CA 0.350 45.176 45.100 -0.457 0.000 0.835 1035 G HN 0.363 nan 8.290 nan 0.000 0.543 1036 T N -1.087 113.389 114.554 -0.129 0.000 2.902 1036 T HA 0.532 4.872 4.350 -0.016 0.000 0.283 1036 T C -0.216 174.342 174.700 -0.237 0.000 1.009 1036 T CA -0.763 61.254 62.100 -0.139 0.000 1.051 1036 T CB 2.159 70.972 68.868 -0.091 0.000 0.999 1036 T HN 0.443 nan 8.240 nan 0.000 0.474 1037 E N 2.388 122.388 120.200 -0.333 0.000 2.289 1037 E HA 0.409 4.749 4.350 -0.016 0.000 0.278 1037 E C 0.343 176.864 176.600 -0.132 0.000 1.032 1037 E CA -0.502 55.716 56.400 -0.303 0.000 0.854 1037 E CB 0.675 30.186 29.700 -0.316 0.000 1.046 1037 E HN 0.793 nan 8.360 nan 0.000 0.409 1038 M N 2.336 121.873 119.600 -0.104 0.000 2.821 1038 M HA 0.462 4.933 4.480 -0.016 0.000 0.432 1038 M C 0.744 176.997 176.300 -0.078 0.000 1.291 1038 M CA 0.075 55.309 55.300 -0.110 0.000 0.838 1038 M CB 0.759 33.243 32.600 -0.193 0.000 1.505 1038 M HN 0.590 nan 8.290 nan 0.000 0.523 1039 G N 1.677 110.486 108.800 0.016 0.000 2.218 1039 G HA2 -0.266 3.685 3.960 -0.016 0.000 0.216 1039 G HA3 -0.266 3.685 3.960 -0.016 0.000 0.216 1039 G C 0.861 175.830 174.900 0.116 0.000 0.994 1039 G CA 0.441 45.580 45.100 0.065 0.000 0.637 1039 G HN 0.636 nan 8.290 nan 0.000 0.505 1040 Q N 1.434 121.270 119.800 0.060 0.000 2.435 1040 Q HA 0.302 4.633 4.340 -0.016 0.000 0.207 1040 Q C 1.637 177.670 176.000 0.055 0.000 0.956 1040 Q CA 1.555 57.390 55.803 0.054 0.000 0.917 1040 Q CB -0.330 28.414 28.738 0.010 0.000 0.997 1040 Q HN 1.978 nan 8.270 nan 0.000 0.497 1041 G N 1.703 110.533 108.800 0.050 0.000 2.149 1041 G HA2 -0.277 3.674 3.960 -0.016 0.000 0.235 1041 G HA3 -0.277 3.674 3.960 -0.016 0.000 0.235 1041 G C 0.315 175.130 174.900 -0.141 0.000 1.018 1041 G CA 0.358 45.388 45.100 -0.116 0.000 0.728 1041 G HN 0.383 nan 8.290 nan 0.000 0.508 1042 L N 0.264 121.399 121.223 -0.147 0.000 1.994 1042 L HA 0.042 4.372 4.340 -0.016 0.000 0.208 1042 L C 2.618 179.454 176.870 -0.058 0.000 1.071 1042 L CA 2.954 57.724 54.840 -0.116 0.000 0.745 1042 L CB -0.639 41.336 42.059 -0.141 0.000 0.892 1042 L HN 0.408 nan 8.230 nan 0.000 0.431 1043 H N -0.569 118.469 119.070 -0.054 0.000 2.289 1043 H HA -0.141 4.406 4.556 -0.016 0.000 0.296 1043 H C 2.162 177.421 175.328 -0.115 0.000 1.091 1043 H CA 1.966 57.981 56.048 -0.055 0.000 1.274 1043 H CB -1.264 28.441 29.762 -0.094 0.000 1.364 1043 H HN 0.362 nan 8.280 nan 0.000 0.490 1044 T N 1.457 115.963 114.554 -0.080 0.000 2.624 1044 T HA -0.200 4.140 4.350 -0.016 0.000 0.268 1044 T C 2.047 176.718 174.700 -0.049 0.000 1.041 1044 T CA 2.049 64.084 62.100 -0.109 0.000 1.159 1044 T CB -0.116 68.630 68.868 -0.204 0.000 0.863 1044 T HN 0.381 nan 8.240 nan 0.000 0.434 1045 K N 0.103 120.477 120.400 -0.044 0.000 2.097 1045 K HA 0.041 4.352 4.320 -0.016 0.000 0.205 1045 K C 2.392 178.991 176.600 -0.001 0.000 1.050 1045 K CA 1.003 57.279 56.287 -0.017 0.000 0.938 1045 K CB -0.138 32.354 32.500 -0.015 0.000 0.718 1045 K HN 0.209 nan 8.250 nan 0.000 0.442 1046 M N 0.408 120.002 119.600 -0.010 0.000 2.159 1046 M HA -0.112 4.358 4.480 -0.016 0.000 0.263 1046 M C 2.213 178.521 176.300 0.014 0.000 1.063 1046 M CA 1.291 56.581 55.300 -0.018 0.000 1.110 1046 M CB -0.730 31.823 32.600 -0.080 0.000 1.374 1046 M HN -0.070 nan 8.290 nan 0.000 0.411 1047 V N 0.380 120.300 119.914 0.010 0.000 2.358 1047 V HA -0.273 3.837 4.120 -0.016 0.000 0.246 1047 V C 2.408 178.505 176.094 0.006 0.000 1.047 1047 V CA 1.574 63.876 62.300 0.004 0.000 1.035 1047 V CB -0.778 31.039 31.823 -0.010 0.000 0.658 1047 V HN 0.511 nan 8.190 nan 0.000 0.452 1048 Q N -0.532 119.270 119.800 0.003 0.000 2.084 1048 Q HA -0.176 4.155 4.340 -0.016 0.000 0.202 1048 Q C 2.342 178.357 176.000 0.026 0.000 0.978 1048 Q CA 1.889 57.691 55.803 -0.001 0.000 0.844 1048 Q CB -0.397 28.336 28.738 -0.009 0.000 0.898 1048 Q HN 0.550 nan 8.270 nan 0.000 0.426 1049 V N 1.240 121.202 119.914 0.080 0.000 2.233 1049 V HA -0.334 3.777 4.120 -0.016 0.000 0.247 1049 V C 2.352 178.553 176.094 0.178 0.000 1.050 1049 V CA 1.989 64.408 62.300 0.199 0.000 1.010 1049 V CB -1.193 30.744 31.823 0.191 0.000 0.637 1049 V HN 0.444 nan 8.190 nan 0.000 0.444 1050 A N -0.268 122.609 122.820 0.094 0.000 1.892 1050 A HA -0.299 4.011 4.320 -0.016 0.000 0.218 1050 A C 2.598 180.190 177.584 0.014 0.000 1.188 1050 A CA 2.670 54.740 52.037 0.055 0.000 0.631 1050 A CB -1.005 18.013 19.000 0.030 0.000 0.822 1050 A HN 0.556 nan 8.150 nan 0.000 0.447 1051 S N -0.422 115.272 115.700 -0.010 0.000 2.359 1051 S HA -0.251 4.210 4.470 -0.016 0.000 0.224 1051 S C 2.145 176.714 174.600 -0.052 0.000 1.035 1051 S CA 2.064 60.230 58.200 -0.057 0.000 1.018 1051 S CB -0.357 62.811 63.200 -0.054 0.000 0.876 1051 S HN 0.630 nan 8.310 nan 0.000 0.448 1052 K N 0.538 120.923 120.400 -0.026 0.000 2.025 1052 K HA -0.007 4.304 4.320 -0.016 0.000 0.207 1052 K C 2.285 178.913 176.600 0.046 0.000 1.049 1052 K CA 1.184 57.447 56.287 -0.040 0.000 0.933 1052 K CB -0.659 31.741 32.500 -0.167 0.000 0.714 1052 K HN 0.414 nan 8.250 nan 0.000 0.438 1053 A N 1.321 124.230 122.820 0.147 0.000 1.908 1053 A HA -0.141 4.170 4.320 -0.016 0.000 0.218 1053 A C 2.082 179.681 177.584 0.025 0.000 1.181 1053 A CA 1.488 53.609 52.037 0.140 0.000 0.627 1053 A CB -0.552 18.512 19.000 0.106 0.000 0.818 1053 A HN 0.360 nan 8.150 nan 0.000 0.445 1054 L N -1.525 119.687 121.223 -0.018 0.000 2.446 1054 L HA 0.024 4.355 4.340 -0.016 0.000 0.219 1054 L C 0.079 176.897 176.870 -0.087 0.000 1.116 1054 L CA 0.407 55.211 54.840 -0.060 0.000 0.844 1054 L CB -0.150 41.812 42.059 -0.162 0.000 0.970 1054 L HN 0.372 nan 8.230 nan 0.000 0.457 1055 K N 1.499 121.853 120.400 -0.077 0.000 3.372 1055 K HA -0.179 4.131 4.320 -0.016 0.000 0.272 1055 K C -0.519 175.987 176.600 -0.157 0.000 1.037 1055 K CA 0.617 56.862 56.287 -0.069 0.000 0.777 1055 K CB -2.343 30.165 32.500 0.014 0.000 1.347 1055 K HN 0.520 nan 8.250 nan 0.000 0.460 1056 I N -4.194 116.227 120.570 -0.247 0.000 2.865 1056 I HA 0.619 4.780 4.170 -0.016 0.000 0.302 1056 I C -2.730 173.267 176.117 -0.201 0.000 1.140 1056 I CA -3.256 57.850 61.300 -0.324 0.000 1.021 1056 I CB 2.333 39.915 38.000 -0.697 0.000 1.233 1056 I HN -0.263 nan 8.210 nan 0.000 0.427 1057 P HA 0.212 nan 4.420 nan 0.000 0.269 1057 P C 1.128 178.377 177.300 -0.085 0.000 1.215 1057 P CA -0.344 62.699 63.100 -0.095 0.000 0.780 1057 P CB 0.613 32.271 31.700 -0.069 0.000 0.898 1058 I N -0.100 120.439 120.570 -0.052 0.000 2.335 1058 I HA -0.246 3.915 4.170 -0.016 0.000 0.251 1058 I C 1.634 177.749 176.117 -0.003 0.000 1.129 1058 I CA 2.119 63.403 61.300 -0.027 0.000 1.402 1058 I CB -1.098 36.893 38.000 -0.015 0.000 1.069 1058 I HN 0.256 nan 8.210 nan 0.000 0.424 1059 S N 1.056 116.753 115.700 -0.005 0.000 2.500 1059 S HA -0.113 4.347 4.470 -0.016 0.000 0.239 1059 S C 1.758 176.369 174.600 0.018 0.000 0.989 1059 S CA 0.856 59.063 58.200 0.013 0.000 0.951 1059 S CB -0.580 62.621 63.200 0.002 0.000 0.759 1059 S HN 0.608 nan 8.310 nan 0.000 0.523 1060 K N 0.226 120.623 120.400 -0.005 0.000 2.426 1060 K HA 0.340 4.650 4.320 -0.016 0.000 0.193 1060 K C -0.057 176.576 176.600 0.055 0.000 1.028 1060 K CA 0.258 56.550 56.287 0.010 0.000 1.047 1060 K CB 0.048 32.513 32.500 -0.060 0.000 0.821 1060 K HN 0.476 nan 8.250 nan 0.000 0.513 1061 I N 0.032 120.641 120.570 0.064 0.000 2.530 1061 I HA 0.269 4.430 4.170 -0.016 0.000 0.297 1061 I C -1.062 175.166 176.117 0.185 0.000 1.011 1061 I CA -1.256 60.103 61.300 0.099 0.000 1.107 1061 I CB 1.414 39.437 38.000 0.038 0.000 1.285 1061 I HN -0.144 nan 8.210 nan 0.000 0.436 1062 Y N 5.728 126.041 120.300 0.022 0.000 2.504 1062 Y HA 0.667 5.208 4.550 -0.016 0.000 0.344 1062 Y C -1.330 174.557 175.900 -0.022 0.000 1.023 1062 Y CA -0.788 57.313 58.100 0.002 0.000 1.020 1062 Y CB 1.693 40.161 38.460 0.013 0.000 1.282 1062 Y HN 0.332 nan 8.280 nan 0.000 0.454 1063 I N 3.807 124.029 120.570 -0.580 0.000 2.465 1063 I HA 0.312 4.472 4.170 -0.016 0.000 0.291 1063 I C 0.276 175.876 176.117 -0.860 0.000 1.014 1063 I CA -0.390 60.574 61.300 -0.560 0.000 1.093 1063 I CB 2.207 39.857 38.000 -0.583 0.000 1.267 1063 I HN 0.677 nan 8.210 nan 0.000 0.431 1064 S N 4.293 119.724 115.700 -0.449 0.000 2.506 1064 S HA 0.215 4.675 4.470 -0.016 0.000 0.230 1064 S C 0.139 174.631 174.600 -0.179 0.000 1.066 1064 S CA 0.449 58.515 58.200 -0.225 0.000 0.940 1064 S CB 0.269 63.505 63.200 0.059 0.000 0.818 1064 S HN 0.832 nan 8.310 nan 0.000 0.518 1065 E N -1.342 118.735 120.200 -0.204 0.000 2.421 1065 E HA 0.297 4.637 4.350 -0.016 0.000 0.278 1065 E C -1.682 174.826 176.600 -0.153 0.000 1.141 1065 E CA -0.986 55.343 56.400 -0.117 0.000 0.880 1065 E CB 0.478 30.161 29.700 -0.028 0.000 1.381 1065 E HN -0.066 nan 8.360 nan 0.000 0.436 1066 T N 1.209 115.703 114.554 -0.100 0.000 2.792 1066 T HA 0.662 5.003 4.350 -0.016 0.000 0.280 1066 T C -1.025 173.626 174.700 -0.082 0.000 0.990 1066 T CA -0.442 61.579 62.100 -0.132 0.000 0.960 1066 T CB 1.173 69.966 68.868 -0.125 0.000 0.939 1066 T HN 0.600 nan 8.240 nan 0.000 0.439 1067 S N 0.565 116.219 115.700 -0.077 0.000 2.536 1067 S HA 0.384 4.844 4.470 -0.016 0.000 0.271 1067 S C 1.047 175.622 174.600 -0.041 0.000 1.134 1067 S CA -0.589 57.578 58.200 -0.054 0.000 0.897 1067 S CB 1.405 64.582 63.200 -0.038 0.000 1.094 1067 S HN 0.705 nan 8.310 nan 0.000 0.473 1068 T N -0.615 113.914 114.554 -0.042 0.000 3.051 1068 T HA -0.101 4.239 4.350 -0.016 0.000 0.269 1068 T C 1.164 175.855 174.700 -0.014 0.000 1.127 1068 T CA 1.319 63.402 62.100 -0.027 0.000 1.107 1068 T CB -0.776 68.070 68.868 -0.037 0.000 0.898 1068 T HN 0.759 nan 8.240 nan 0.000 0.517 1069 N N 1.346 120.038 118.700 -0.014 0.000 2.280 1069 N HA -0.012 4.718 4.740 -0.016 0.000 0.192 1069 N C 1.393 176.915 175.510 0.021 0.000 1.109 1069 N CA 0.917 53.968 53.050 0.001 0.000 0.855 1069 N CB -0.205 38.281 38.487 -0.003 0.000 0.974 1069 N HN 0.648 nan 8.380 nan 0.000 0.482 1070 T N -2.990 111.576 114.554 0.019 0.000 3.056 1070 T HA 0.267 4.608 4.350 -0.016 0.000 0.243 1070 T C 0.405 175.127 174.700 0.037 0.000 0.995 1070 T CA 0.083 62.204 62.100 0.036 0.000 1.091 1070 T CB -0.150 68.735 68.868 0.027 0.000 0.990 1070 T HN -0.114 nan 8.240 nan 0.000 0.464 1071 V N 4.655 124.586 119.914 0.028 0.000 2.380 1071 V HA 0.526 4.637 4.120 -0.016 0.000 0.286 1071 V C -2.556 173.572 176.094 0.058 0.000 1.015 1071 V CA -1.996 60.340 62.300 0.061 0.000 0.834 1071 V CB 1.499 33.369 31.823 0.078 0.000 1.009 1071 V HN 0.365 nan 8.190 nan 0.000 0.428 1072 P HA 0.399 nan 4.420 nan 0.000 0.281 1072 P C -0.265 177.077 177.300 0.069 0.000 1.264 1072 P CA -0.383 62.744 63.100 0.046 0.000 0.824 1072 P CB 0.565 32.283 31.700 0.031 0.000 1.092 1073 N N -1.946 116.779 118.700 0.043 0.000 2.740 1073 N HA -0.127 4.603 4.740 -0.016 0.000 0.248 1073 N C -0.248 175.311 175.510 0.081 0.000 1.062 1073 N CA 1.012 54.091 53.050 0.048 0.000 0.704 1073 N CB -2.327 36.192 38.487 0.053 0.000 0.968 1073 N HN 0.632 nan 8.380 nan 0.000 0.547 1074 S N -2.075 113.672 115.700 0.078 0.000 2.585 1074 S HA 0.618 5.078 4.470 -0.016 0.000 0.277 1074 S C 0.612 175.257 174.600 0.076 0.000 1.241 1074 S CA -0.694 57.578 58.200 0.120 0.000 1.041 1074 S CB 1.979 65.274 63.200 0.159 0.000 0.987 1074 S HN 0.176 nan 8.310 nan 0.000 0.512 1075 S N 3.491 119.232 115.700 0.069 0.000 2.584 1075 S HA 0.306 4.766 4.470 -0.016 0.000 0.270 1075 S C -2.136 172.507 174.600 0.072 0.000 1.346 1075 S CA -0.732 57.450 58.200 -0.030 0.000 1.018 1075 S CB -0.316 62.772 63.200 -0.186 0.000 0.899 1075 S HN 0.735 nan 8.310 nan 0.000 0.542 1076 P HA 0.070 nan 4.420 nan 0.000 0.268 1076 P C -0.669 176.769 177.300 0.231 0.000 1.205 1076 P CA -0.212 62.954 63.100 0.110 0.000 0.771 1076 P CB -0.037 31.719 31.700 0.095 0.000 0.858 1077 T N 2.203 116.860 114.554 0.172 0.000 2.759 1077 T HA 0.410 4.750 4.350 -0.016 0.000 0.273 1077 T C 0.381 175.164 174.700 0.138 0.000 0.938 1077 T CA 0.534 62.744 62.100 0.183 0.000 1.197 1077 T CB -0.673 68.245 68.868 0.082 0.000 0.887 1077 T HN 0.648 nan 8.240 nan 0.000 0.540 1078 A N 2.483 125.393 122.820 0.151 0.000 2.511 1078 A HA 0.831 5.142 4.320 -0.016 0.000 0.293 1078 A C 0.635 178.029 177.584 -0.317 0.000 1.098 1078 A CA -0.280 51.756 52.037 -0.002 0.000 0.643 1078 A CB 0.031 19.083 19.000 0.087 0.000 1.302 1078 A HN 1.598 nan 8.150 nan 0.000 0.446 1079 A N -0.984 121.594 122.820 -0.403 0.000 2.945 1079 A HA 0.046 4.357 4.320 -0.016 0.000 0.263 1079 A C 1.302 178.710 177.584 -0.293 0.000 1.293 1079 A CA 1.923 53.644 52.037 -0.527 0.000 0.944 1079 A CB -2.363 15.930 19.000 -1.179 0.000 1.093 1079 A HN 2.547 nan 8.150 nan 0.000 0.786 1080 S N -4.701 110.892 115.700 -0.178 0.000 2.929 1080 S HA -0.325 4.136 4.470 -0.016 0.000 0.271 1080 S C 1.114 175.660 174.600 -0.089 0.000 1.295 1080 S CA 1.844 59.982 58.200 -0.102 0.000 1.277 1080 S CB -2.255 60.890 63.200 -0.091 0.000 1.557 1080 S HN 2.337 nan 8.310 nan 0.000 0.666 1081 V N -1.381 118.451 119.914 -0.137 0.000 3.647 1081 V HA 0.303 4.413 4.120 -0.016 0.000 0.279 1081 V C 1.563 177.641 176.094 -0.027 0.000 1.314 1081 V CA 1.056 63.304 62.300 -0.087 0.000 1.125 1081 V CB 0.332 32.076 31.823 -0.132 0.000 0.907 1081 V HN 0.381 nan 8.190 nan 0.000 0.434 1082 S N 1.391 117.111 115.700 0.033 0.000 2.382 1082 S HA -0.166 4.295 4.470 -0.016 0.000 0.228 1082 S C 1.950 176.640 174.600 0.150 0.000 1.027 1082 S CA 2.107 60.412 58.200 0.175 0.000 0.991 1082 S CB -0.504 62.860 63.200 0.274 0.000 0.823 1082 S HN 0.744 nan 8.310 nan 0.000 0.469 1083 T N 2.249 116.841 114.554 0.064 0.000 2.746 1083 T HA -0.094 4.247 4.350 -0.016 0.000 0.267 1083 T C 1.381 176.071 174.700 -0.017 0.000 1.039 1083 T CA 1.484 63.599 62.100 0.026 0.000 1.142 1083 T CB -0.511 68.367 68.868 0.016 0.000 0.866 1083 T HN 0.306 nan 8.240 nan 0.000 0.444 1084 D N 1.171 121.559 120.400 -0.020 0.000 2.097 1084 D HA -0.048 4.583 4.640 -0.016 0.000 0.195 1084 D C 2.125 178.329 176.300 -0.159 0.000 0.989 1084 D CA 1.011 54.978 54.000 -0.055 0.000 0.827 1084 D CB -0.297 40.532 40.800 0.048 0.000 0.966 1084 D HN 0.578 nan 8.370 nan 0.000 0.456 1085 I N -2.920 117.561 120.570 -0.149 0.000 2.494 1085 I HA -0.046 4.114 4.170 -0.016 0.000 0.250 1085 I C 1.795 177.728 176.117 -0.307 0.000 1.112 1085 I CA 0.574 61.754 61.300 -0.201 0.000 1.438 1085 I CB -0.598 37.283 38.000 -0.197 0.000 1.111 1085 I HN -0.098 nan 8.210 nan 0.000 0.431 1086 Y N 2.423 122.689 120.300 -0.056 0.000 2.314 1086 Y HA 0.078 4.619 4.550 -0.016 0.000 0.293 1086 Y C 2.821 178.631 175.900 -0.149 0.000 1.129 1086 Y CA 1.090 59.128 58.100 -0.103 0.000 1.201 1086 Y CB -0.717 37.636 38.460 -0.178 0.000 0.999 1086 Y HN 0.217 nan 8.280 nan 0.000 0.541 1087 G N -0.267 108.506 108.800 -0.045 0.000 2.440 1087 G HA2 -0.336 3.614 3.960 -0.016 0.000 0.218 1087 G HA3 -0.336 3.614 3.960 -0.016 0.000 0.218 1087 G C 1.503 176.332 174.900 -0.119 0.000 1.154 1087 G CA 1.175 46.226 45.100 -0.082 0.000 0.767 1087 G HN 0.259 nan 8.290 nan 0.000 0.552 1088 Q N 0.558 120.201 119.800 -0.261 0.000 2.046 1088 Q HA 0.140 4.471 4.340 -0.016 0.000 0.200 1088 Q C 2.766 178.710 176.000 -0.094 0.000 0.975 1088 Q CA 1.858 57.443 55.803 -0.363 0.000 0.836 1088 Q CB -0.680 27.469 28.738 -0.981 0.000 0.896 1088 Q HN 0.387 nan 8.270 nan 0.000 0.428 1089 A N -0.802 121.998 122.820 -0.035 0.000 1.873 1089 A HA -0.112 4.198 4.320 -0.016 0.000 0.215 1089 A C 2.295 179.941 177.584 0.103 0.000 1.186 1089 A CA 1.522 53.607 52.037 0.080 0.000 0.616 1089 A CB -0.889 18.173 19.000 0.104 0.000 0.823 1089 A HN 0.248 nan 8.150 nan 0.000 0.442 1090 V N -1.306 118.662 119.914 0.090 0.000 2.287 1090 V HA -0.320 3.790 4.120 -0.016 0.000 0.248 1090 V C 2.335 178.478 176.094 0.082 0.000 1.053 1090 V CA 2.299 64.648 62.300 0.080 0.000 1.027 1090 V CB -1.014 30.841 31.823 0.054 0.000 0.646 1090 V HN 0.710 nan 8.190 nan 0.000 0.447 1091 Y N 1.126 121.404 120.300 -0.036 0.000 2.139 1091 Y HA -0.281 4.260 4.550 -0.016 0.000 0.282 1091 Y C 2.617 178.509 175.900 -0.012 0.000 1.179 1091 Y CA 2.184 60.256 58.100 -0.047 0.000 1.161 1091 Y CB -0.050 38.320 38.460 -0.150 0.000 0.970 1091 Y HN 0.274 nan 8.280 nan 0.000 0.511 1092 E N -0.022 120.235 120.200 0.096 0.000 2.106 1092 E HA -0.150 4.190 4.350 -0.016 0.000 0.192 1092 E C 2.394 178.992 176.600 -0.003 0.000 0.984 1092 E CA 1.007 57.434 56.400 0.045 0.000 0.806 1092 E CB -0.689 29.088 29.700 0.128 0.000 0.750 1092 E HN 0.583 nan 8.360 nan 0.000 0.458 1093 A N 0.628 123.461 122.820 0.021 0.000 1.933 1093 A HA -0.173 4.137 4.320 -0.016 0.000 0.218 1093 A C 2.581 180.160 177.584 -0.009 0.000 1.175 1093 A CA 1.321 53.371 52.037 0.022 0.000 0.628 1093 A CB -0.810 18.212 19.000 0.037 0.000 0.814 1093 A HN 0.336 nan 8.150 nan 0.000 0.444 1094 C N -0.934 118.333 119.300 -0.055 0.000 2.446 1094 C HA -0.076 4.375 4.460 -0.016 0.000 0.277 1094 C C 2.880 177.815 174.990 -0.091 0.000 1.275 1094 C CA 1.005 59.985 59.018 -0.063 0.000 1.727 1094 C CB -0.979 26.697 27.740 -0.106 0.000 2.010 1094 C HN 0.590 nan 8.230 nan 0.000 0.486 1095 Q N 0.717 120.401 119.800 -0.193 0.000 2.061 1095 Q HA -0.145 4.185 4.340 -0.016 0.000 0.204 1095 Q C 2.249 178.222 176.000 -0.045 0.000 0.984 1095 Q CA 2.139 57.849 55.803 -0.154 0.000 0.846 1095 Q CB -1.346 27.276 28.738 -0.193 0.000 0.902 1095 Q HN 0.639 nan 8.270 nan 0.000 0.421 1096 T N 1.658 116.199 114.554 -0.021 0.000 2.699 1096 T HA -0.133 4.207 4.350 -0.016 0.000 0.268 1096 T C 2.037 176.755 174.700 0.030 0.000 1.036 1096 T CA 1.203 63.311 62.100 0.013 0.000 1.147 1096 T CB -0.256 68.627 68.868 0.024 0.000 0.862 1096 T HN 0.176 nan 8.240 nan 0.000 0.446 1097 I N 0.363 120.958 120.570 0.042 0.000 2.252 1097 I HA -0.091 4.070 4.170 -0.016 0.000 0.245 1097 I C 2.260 178.433 176.117 0.094 0.000 1.102 1097 I CA 1.050 62.397 61.300 0.078 0.000 1.385 1097 I CB -0.263 37.809 38.000 0.119 0.000 1.064 1097 I HN 0.192 nan 8.210 nan 0.000 0.414 1098 L N 0.232 121.505 121.223 0.084 0.000 2.083 1098 L HA -0.223 4.107 4.340 -0.016 0.000 0.209 1098 L C 2.530 179.426 176.870 0.042 0.000 1.083 1098 L CA 1.422 56.312 54.840 0.085 0.000 0.752 1098 L CB -0.534 41.559 42.059 0.055 0.000 0.899 1098 L HN 0.202 nan 8.230 nan 0.000 0.433 1099 K N -0.077 120.339 120.400 0.026 0.000 2.057 1099 K HA -0.163 4.148 4.320 -0.016 0.000 0.207 1099 K C 2.217 178.834 176.600 0.030 0.000 1.049 1099 K CA 1.266 57.562 56.287 0.015 0.000 0.931 1099 K CB -0.073 32.434 32.500 0.011 0.000 0.714 1099 K HN 0.283 nan 8.250 nan 0.000 0.440 1100 R N 0.483 121.016 120.500 0.055 0.000 2.148 1100 R HA 0.021 4.351 4.340 -0.016 0.000 0.223 1100 R C 2.091 178.492 176.300 0.168 0.000 1.088 1100 R CA 0.706 56.862 56.100 0.093 0.000 0.985 1100 R CB -0.042 30.306 30.300 0.081 0.000 0.880 1100 R HN 0.146 nan 8.270 nan 0.000 0.451 1101 L N 0.224 121.523 121.223 0.127 0.000 2.492 1101 L HA -0.021 4.310 4.340 -0.016 0.000 0.223 1101 L C 2.069 178.992 176.870 0.090 0.000 1.132 1101 L CA 0.335 55.276 54.840 0.169 0.000 0.850 1101 L CB -0.091 42.009 42.059 0.069 0.000 0.966 1101 L HN 0.098 nan 8.230 nan 0.000 0.454 1102 E N 1.291 121.486 120.200 -0.008 0.000 2.058 1102 E HA -0.186 4.155 4.350 -0.016 0.000 0.194 1102 E C -0.656 175.821 176.600 -0.204 0.000 0.997 1102 E CA 1.701 58.029 56.400 -0.120 0.000 0.801 1102 E CB -0.940 28.708 29.700 -0.087 0.000 0.746 1102 E HN 0.260 nan 8.360 nan 0.000 0.450 1103 P HA -0.087 nan 4.420 nan 0.000 0.220 1103 P C 0.779 177.740 177.300 -0.565 0.000 1.148 1103 P CA 1.100 63.929 63.100 -0.451 0.000 0.803 1103 P CB -0.110 31.223 31.700 -0.612 0.000 0.782 1104 F N 0.077 119.933 119.950 -0.157 0.000 2.163 1104 F HA 0.002 4.520 4.527 -0.016 0.000 0.297 1104 F C 2.422 178.048 175.800 -0.289 0.000 1.094 1104 F CA 1.103 59.024 58.000 -0.132 0.000 1.290 1104 F CB -0.816 38.159 39.000 -0.040 0.000 1.017 1104 F HN -0.209 nan 8.300 nan 0.000 0.483 1105 K N 0.856 120.949 120.400 -0.511 0.000 2.103 1105 K HA -0.185 4.126 4.320 -0.016 0.000 0.207 1105 K C 1.948 178.329 176.600 -0.364 0.000 1.048 1105 K CA 1.384 57.111 56.287 -0.934 0.000 0.930 1105 K CB -0.038 31.850 32.500 -1.020 0.000 0.716 1105 K HN 0.134 nan 8.250 nan 0.000 0.444 1106 K N 0.229 120.476 120.400 -0.254 0.000 2.097 1106 K HA -0.135 4.176 4.320 -0.016 0.000 0.205 1106 K C 2.014 178.568 176.600 -0.077 0.000 1.050 1106 K CA 1.454 57.654 56.287 -0.144 0.000 0.938 1106 K CB 0.033 32.444 32.500 -0.149 0.000 0.718 1106 K HN 0.065 nan 8.250 nan 0.000 0.442 1107 K N 0.357 120.713 120.400 -0.074 0.000 2.097 1107 K HA -0.097 4.214 4.320 -0.016 0.000 0.205 1107 K C 0.935 177.579 176.600 0.073 0.000 1.050 1107 K CA 0.947 57.231 56.287 -0.004 0.000 0.938 1107 K CB 0.055 32.558 32.500 0.006 0.000 0.718 1107 K HN -0.036 nan 8.250 nan 0.000 0.442 1108 N N -0.238 118.548 118.700 0.144 0.000 2.723 1108 N HA 0.126 4.857 4.740 -0.016 0.000 0.290 1108 N C -2.347 173.382 175.510 0.366 0.000 1.882 1108 N CA -1.921 51.283 53.050 0.256 0.000 0.851 1108 N CB 0.837 39.524 38.487 0.332 0.000 1.234 1108 N HN -0.130 nan 8.380 nan 0.000 0.491 1109 P HA -0.044 nan 4.420 nan 0.000 0.221 1109 P C -0.077 177.403 177.300 0.300 0.000 1.145 1109 P CA 1.134 64.364 63.100 0.215 0.000 0.795 1109 P CB 0.508 32.267 31.700 0.098 0.000 0.775 1110 D N -0.550 119.991 120.400 0.235 0.000 2.363 1110 D HA 0.141 4.771 4.640 -0.016 0.000 0.214 1110 D C 1.379 177.761 176.300 0.136 0.000 1.093 1110 D CA 0.148 54.254 54.000 0.177 0.000 0.837 1110 D CB 0.245 41.109 40.800 0.107 0.000 0.948 1110 D HN 0.129 nan 8.370 nan 0.000 0.507 1111 G N 0.601 109.511 108.800 0.183 0.000 2.535 1111 G HA2 0.355 4.305 3.960 -0.016 0.000 0.282 1111 G HA3 0.355 4.305 3.960 -0.016 0.000 0.282 1111 G C 0.311 174.988 174.900 -0.371 0.000 1.350 1111 G CA -0.243 44.828 45.100 -0.048 0.000 1.039 1111 G HN 0.177 nan 8.290 nan 0.000 0.509 1112 S N -1.679 113.685 115.700 -0.560 0.000 2.747 1112 S HA 0.230 4.690 4.470 -0.016 0.000 0.300 1112 S C 1.057 175.027 174.600 -1.049 0.000 1.121 1112 S CA -0.510 57.311 58.200 -0.632 0.000 0.995 1112 S CB 1.250 64.287 63.200 -0.272 0.000 1.113 1112 S HN 0.786 nan 8.310 nan 0.000 0.547 1113 W N 1.434 122.243 121.300 -0.819 0.000 2.302 1113 W HA -0.270 4.380 4.660 -0.016 0.000 0.320 1113 W C 1.348 177.711 176.519 -0.260 0.000 1.241 1113 W CA 2.523 59.607 57.345 -0.435 0.000 1.264 1113 W CB -0.606 28.768 29.460 -0.143 0.000 1.154 1113 W HN 0.876 nan 8.180 nan 0.000 0.483 1114 E N 0.650 120.756 120.200 -0.157 0.000 2.097 1114 E HA -0.250 4.091 4.350 -0.016 0.000 0.196 1114 E C 1.643 178.107 176.600 -0.226 0.000 1.000 1114 E CA 2.236 58.528 56.400 -0.181 0.000 0.804 1114 E CB -0.676 28.984 29.700 -0.065 0.000 0.740 1114 E HN 0.248 nan 8.360 nan 0.000 0.454 1115 D N -0.790 119.447 120.400 -0.272 0.000 2.097 1115 D HA -0.139 4.492 4.640 -0.016 0.000 0.197 1115 D C 1.712 177.967 176.300 -0.075 0.000 0.984 1115 D CA 0.806 54.699 54.000 -0.179 0.000 0.826 1115 D CB -0.289 40.393 40.800 -0.197 0.000 0.973 1115 D HN 0.299 nan 8.370 nan 0.000 0.460 1116 W N 1.243 122.474 121.300 -0.115 0.000 2.363 1116 W HA -0.068 4.582 4.660 -0.016 0.000 0.296 1116 W C 2.321 178.634 176.519 -0.344 0.000 1.212 1116 W CA 0.070 57.323 57.345 -0.153 0.000 1.260 1116 W CB -1.404 27.998 29.460 -0.096 0.000 1.131 1116 W HN -0.129 nan 8.180 nan 0.000 0.530 1117 V N 0.798 120.550 119.914 -0.270 0.000 2.261 1117 V HA -0.340 3.770 4.120 -0.016 0.000 0.246 1117 V C 2.334 178.297 176.094 -0.219 0.000 1.047 1117 V CA 2.376 64.460 62.300 -0.361 0.000 1.015 1117 V CB -0.923 30.594 31.823 -0.511 0.000 0.642 1117 V HN 0.045 nan 8.190 nan 0.000 0.446 1118 M N 0.512 120.023 119.600 -0.150 0.000 2.159 1118 M HA -0.065 4.405 4.480 -0.016 0.000 0.263 1118 M C 1.941 178.208 176.300 -0.056 0.000 1.063 1118 M CA 2.128 57.397 55.300 -0.053 0.000 1.110 1118 M CB -0.645 31.933 32.600 -0.037 0.000 1.374 1118 M HN 0.272 nan 8.290 nan 0.000 0.411 1119 A N -0.693 122.050 122.820 -0.128 0.000 1.968 1119 A HA 0.209 4.519 4.320 -0.016 0.000 0.217 1119 A C 2.310 179.531 177.584 -0.604 0.000 1.169 1119 A CA 1.434 53.363 52.037 -0.181 0.000 0.638 1119 A CB -1.186 17.824 19.000 0.016 0.000 0.812 1119 A HN 0.582 nan 8.150 nan 0.000 0.446 1120 A N -1.128 121.097 122.820 -0.993 0.000 1.933 1120 A HA -0.119 4.192 4.320 -0.016 0.000 0.218 1120 A C 2.113 179.452 177.584 -0.409 0.000 1.175 1120 A CA 1.672 53.032 52.037 -1.128 0.000 0.628 1120 A CB -0.787 17.704 19.000 -0.849 0.000 0.814 1120 A HN 0.757 nan 8.150 nan 0.000 0.444 1121 Y N 0.403 120.515 120.300 -0.313 0.000 2.200 1121 Y HA -0.175 4.365 4.550 -0.016 0.000 0.290 1121 Y C 2.307 178.136 175.900 -0.119 0.000 1.137 1121 Y CA 2.220 60.217 58.100 -0.171 0.000 1.163 1121 Y CB -0.382 38.001 38.460 -0.128 0.000 0.988 1121 Y HN 0.403 nan 8.280 nan 0.000 0.518 1122 Q N -0.843 118.789 119.800 -0.280 0.000 2.435 1122 Q HA -0.119 4.211 4.340 -0.016 0.000 0.207 1122 Q C 0.592 176.461 176.000 -0.219 0.000 0.956 1122 Q CA 1.184 56.810 55.803 -0.294 0.000 0.917 1122 Q CB 0.048 28.739 28.738 -0.078 0.000 0.997 1122 Q HN 0.457 nan 8.270 nan 0.000 0.497 1123 D N -0.269 120.026 120.400 -0.174 0.000 2.424 1123 D HA 0.091 4.722 4.640 -0.016 0.000 0.220 1123 D C -0.579 175.678 176.300 -0.071 0.000 1.150 1123 D CA -0.124 53.840 54.000 -0.059 0.000 0.831 1123 D CB 0.167 41.042 40.800 0.125 0.000 0.981 1123 D HN -0.004 nan 8.370 nan 0.000 0.500 1124 R N -0.739 119.654 120.500 -0.179 0.000 3.422 1124 R HA -0.122 4.208 4.340 -0.016 0.000 0.267 1124 R C -0.869 175.400 176.300 -0.052 0.000 1.074 1124 R CA 0.187 56.203 56.100 -0.141 0.000 0.718 1124 R CB -2.251 27.980 30.300 -0.115 0.000 1.157 1124 R HN 0.050 nan 8.270 nan 0.000 0.440 1125 V N 0.927 120.816 119.914 -0.041 0.000 2.370 1125 V HA 0.200 4.310 4.120 -0.016 0.000 0.279 1125 V C 0.919 177.013 176.094 -0.001 0.000 1.029 1125 V CA -0.329 61.977 62.300 0.009 0.000 0.870 1125 V CB 1.779 33.641 31.823 0.065 0.000 0.984 1125 V HN 0.340 nan 8.190 nan 0.000 0.451 1126 S N 4.929 120.639 115.700 0.017 0.000 2.549 1126 S HA 0.298 4.759 4.470 -0.016 0.000 0.283 1126 S C 0.236 174.849 174.600 0.021 0.000 1.320 1126 S CA -0.273 57.942 58.200 0.024 0.000 1.058 1126 S CB 0.138 63.354 63.200 0.027 0.000 0.882 1126 S HN 0.605 nan 8.310 nan 0.000 0.498 1127 L N 4.205 125.439 121.223 0.018 0.000 3.094 1127 L HA 0.358 4.688 4.340 -0.016 0.000 0.254 1127 L C 0.315 177.199 176.870 0.024 0.000 1.298 1127 L CA -0.222 54.621 54.840 0.004 0.000 1.050 1127 L CB 0.405 42.446 42.059 -0.029 0.000 1.420 1127 L HN 0.547 nan 8.230 nan 0.000 0.548 1128 S N -0.454 115.279 115.700 0.056 0.000 2.547 1128 S HA 0.726 5.187 4.470 -0.016 0.000 0.281 1128 S C -0.674 173.974 174.600 0.080 0.000 1.118 1128 S CA -0.295 57.977 58.200 0.120 0.000 0.947 1128 S CB 1.995 65.295 63.200 0.167 0.000 1.053 1128 S HN 0.144 nan 8.310 nan 0.000 0.482 1129 T N 1.980 116.570 114.554 0.060 0.000 2.885 1129 T HA 0.602 4.942 4.350 -0.016 0.000 0.322 1129 T C -0.068 174.655 174.700 0.038 0.000 1.387 1129 T CA -0.191 61.938 62.100 0.048 0.000 1.041 1129 T CB 1.284 70.178 68.868 0.043 0.000 1.287 1129 T HN 0.867 nan 8.240 nan 0.000 0.491 1130 T N 0.659 115.245 114.554 0.054 0.000 2.732 1130 T HA 0.756 5.097 4.350 -0.016 0.000 0.287 1130 T C 0.586 175.344 174.700 0.097 0.000 0.993 1130 T CA -0.033 62.111 62.100 0.075 0.000 0.966 1130 T CB 0.787 69.704 68.868 0.081 0.000 1.047 1130 T HN 1.147 nan 8.240 nan 0.000 0.527 1131 G N -0.600 108.291 108.800 0.151 0.000 2.732 1131 G HA2 0.550 4.501 3.960 -0.016 0.000 0.296 1131 G HA3 0.550 4.501 3.960 -0.016 0.000 0.296 1131 G C -2.185 172.900 174.900 0.307 0.000 1.448 1131 G CA -0.810 44.401 45.100 0.186 0.000 0.911 1131 G HN 0.731 nan 8.290 nan 0.000 0.528 1132 F N 0.840 120.855 119.950 0.108 0.000 2.641 1132 F HA 0.762 5.280 4.527 -0.016 0.000 0.308 1132 F C -1.809 174.097 175.800 0.177 0.000 1.105 1132 F CA -1.075 56.995 58.000 0.117 0.000 0.964 1132 F CB 2.373 41.416 39.000 0.072 0.000 1.294 1132 F HN 0.643 nan 8.300 nan 0.000 0.442 1133 Y N 4.690 124.657 120.300 -0.555 0.000 2.504 1133 Y HA 0.639 5.180 4.550 -0.016 0.000 0.344 1133 Y C -1.565 174.038 175.900 -0.495 0.000 1.023 1133 Y CA -1.012 56.879 58.100 -0.347 0.000 1.020 1133 Y CB 1.554 39.877 38.460 -0.229 0.000 1.282 1133 Y HN 0.679 nan 8.280 nan 0.000 0.454 1134 R N 3.781 123.709 120.500 -0.953 0.000 2.451 1134 R HA 0.381 4.712 4.340 -0.016 0.000 0.307 1134 R C -1.127 174.581 176.300 -0.986 0.000 0.965 1134 R CA -0.556 55.128 56.100 -0.692 0.000 0.865 1134 R CB 1.460 31.604 30.300 -0.260 0.000 1.174 1134 R HN 0.859 nan 8.270 nan 0.000 0.455 1135 T N 6.689 120.767 114.554 -0.792 0.000 2.867 1135 T HA 0.119 4.459 4.350 -0.016 0.000 0.297 1135 T C -2.056 172.421 174.700 -0.372 0.000 0.989 1135 T CA -0.551 61.186 62.100 -0.605 0.000 1.159 1135 T CB 0.646 69.275 68.868 -0.400 0.000 0.928 1135 T HN 0.416 nan 8.240 nan 0.000 0.538 1136 P HA 0.305 nan 4.420 nan 0.000 0.281 1136 P C -0.119 177.150 177.300 -0.051 0.000 1.249 1136 P CA -0.584 62.445 63.100 -0.119 0.000 0.810 1136 P CB 0.499 32.181 31.700 -0.031 0.000 1.008 1137 N N -0.663 118.024 118.700 -0.021 0.000 2.754 1137 N HA -0.136 4.595 4.740 -0.016 0.000 0.248 1137 N C -0.692 174.820 175.510 0.004 0.000 1.093 1137 N CA 0.771 53.828 53.050 0.011 0.000 0.699 1137 N CB -1.819 36.697 38.487 0.048 0.000 1.016 1137 N HN 0.468 nan 8.380 nan 0.000 0.552 1138 L N -0.167 121.039 121.223 -0.028 0.000 2.325 1138 L HA 0.733 5.063 4.340 -0.016 0.000 0.278 1138 L C 0.979 177.831 176.870 -0.031 0.000 1.023 1138 L CA -0.461 54.352 54.840 -0.044 0.000 0.811 1138 L CB 1.928 43.940 42.059 -0.078 0.000 1.249 1138 L HN 0.255 nan 8.230 nan 0.000 0.431 1139 G N 1.852 110.634 108.800 -0.029 0.000 2.315 1139 G HA2 -0.033 3.918 3.960 -0.016 0.000 0.197 1139 G HA3 -0.033 3.918 3.960 -0.016 0.000 0.197 1139 G C -1.572 173.336 174.900 0.014 0.000 2.750 1139 G CA -0.781 44.318 45.100 -0.002 0.000 0.960 1139 G HN 0.410 nan 8.290 nan 0.000 0.557 1140 Y N 2.177 122.410 120.300 -0.112 0.000 2.299 1140 Y HA 0.736 5.276 4.550 -0.015 0.000 0.326 1140 Y C 0.310 176.170 175.900 -0.067 0.000 1.164 1140 Y CA -0.248 57.776 58.100 -0.126 0.000 1.234 1140 Y CB 1.958 40.276 38.460 -0.238 0.000 1.219 1140 Y HN 0.491 nan 8.280 nan 0.000 0.497 1141 S N 5.423 120.527 115.700 -0.993 0.000 2.478 1141 S HA 0.329 4.790 4.470 -0.016 0.000 0.312 1141 S C 0.247 174.266 174.600 -0.970 0.000 1.094 1141 S CA -0.660 57.132 58.200 -0.680 0.000 1.081 1141 S CB 0.136 63.140 63.200 -0.326 0.000 1.007 1141 S HN 0.739 nan 8.310 nan 0.000 0.475 1142 F N 2.433 122.161 119.950 -0.369 0.000 2.365 1142 F HA 0.105 4.622 4.527 -0.016 0.000 0.300 1142 F C 1.146 176.898 175.800 -0.080 0.000 1.090 1142 F CA 0.552 58.483 58.000 -0.115 0.000 1.408 1142 F CB 0.216 39.243 39.000 0.045 0.000 1.060 1142 F HN 0.507 nan 8.300 nan 0.000 0.534 1143 E N -1.186 119.030 120.200 0.026 0.000 2.227 1143 E HA 0.351 4.692 4.350 -0.016 0.000 0.268 1143 E C 1.099 177.660 176.600 -0.065 0.000 0.990 1143 E CA 0.520 56.925 56.400 0.009 0.000 0.856 1143 E CB 1.125 30.836 29.700 0.017 0.000 1.159 1143 E HN 0.094 nan 8.360 nan 0.000 0.401 1144 T N 0.411 114.944 114.554 -0.035 0.000 11.216 1144 T HA -0.424 3.917 4.350 -0.016 0.000 0.398 1144 T C 0.773 175.440 174.700 -0.056 0.000 1.598 1144 T CA 1.465 63.536 62.100 -0.049 0.000 2.576 1144 T CB -1.713 67.115 68.868 -0.067 0.000 2.740 1144 T HN 0.868 nan 8.240 nan 0.000 0.942 1145 N N 1.115 119.745 118.700 -0.117 0.000 2.727 1145 N HA -0.154 4.576 4.740 -0.016 0.000 0.251 1145 N C -0.306 175.214 175.510 0.017 0.000 1.040 1145 N CA 2.294 55.316 53.050 -0.047 0.000 0.712 1145 N CB -1.345 37.200 38.487 0.097 0.000 0.912 1145 N HN 1.997 nan 8.380 nan 0.000 0.545 1146 S N -1.623 113.982 115.700 -0.160 0.000 2.643 1146 S HA 0.856 5.317 4.470 -0.016 0.000 0.270 1146 S C 0.133 174.701 174.600 -0.055 0.000 1.166 1146 S CA 0.136 58.328 58.200 -0.013 0.000 0.815 1146 S CB 1.444 64.634 63.200 -0.017 0.000 1.139 1146 S HN 1.641 nan 8.310 nan 0.000 0.472 1147 G N 1.127 109.946 108.800 0.032 0.000 2.721 1147 G HA2 -0.057 3.894 3.960 -0.016 0.000 0.686 1147 G HA3 -0.057 3.894 3.960 -0.016 0.000 0.686 1147 G C -1.088 173.881 174.900 0.114 0.000 1.236 1147 G CA -0.830 44.294 45.100 0.039 0.000 0.786 1147 G HN 0.935 nan 8.290 nan 0.000 0.616 1148 N N 0.457 119.189 118.700 0.053 0.000 2.447 1148 N HA 0.350 5.081 4.740 -0.016 0.000 0.263 1148 N C 1.284 176.718 175.510 -0.126 0.000 1.226 1148 N CA 0.657 53.712 53.050 0.008 0.000 0.906 1148 N CB 1.468 39.964 38.487 0.014 0.000 1.060 1148 N HN 1.066 nan 8.380 nan 0.000 0.468 1149 A N 2.950 125.540 122.820 -0.383 0.000 1.984 1149 A HA 0.191 4.501 4.320 -0.016 0.000 0.214 1149 A C 0.173 177.110 177.584 -1.078 0.000 1.173 1149 A CA 0.658 52.140 52.037 -0.926 0.000 0.673 1149 A CB 0.129 17.942 19.000 -1.977 0.000 0.830 1149 A HN 0.552 nan 8.150 nan 0.000 0.453 1150 F N -3.368 116.373 119.950 -0.348 0.000 2.579 1150 F HA 0.499 5.016 4.527 -0.015 0.000 0.324 1150 F C 1.109 176.778 175.800 -0.218 0.000 1.058 1150 F CA -0.743 57.015 58.000 -0.404 0.000 0.944 1150 F CB 1.062 39.606 39.000 -0.761 0.000 1.245 1150 F HN 0.113 nan 8.300 nan 0.000 0.477 1151 H N 0.312 119.307 119.070 -0.125 0.000 2.415 1151 H HA 0.113 4.659 4.556 -0.016 0.000 0.297 1151 H C -0.899 174.488 175.328 0.099 0.000 1.048 1151 H CA 1.334 57.375 56.048 -0.011 0.000 1.365 1151 H CB 0.238 30.026 29.762 0.044 0.000 1.421 1151 H HN 0.532 nan 8.280 nan 0.000 0.533 1152 Y N -4.155 116.049 120.300 -0.160 0.000 2.818 1152 Y HA 0.428 4.968 4.550 -0.016 0.000 0.341 1152 Y C -1.881 173.784 175.900 -0.391 0.000 1.283 1152 Y CA -2.047 55.944 58.100 -0.182 0.000 1.075 1152 Y CB 0.490 38.870 38.460 -0.134 0.000 1.370 1152 Y HN -0.202 nan 8.280 nan 0.000 0.448 1153 F N 0.424 120.391 119.950 0.028 0.000 2.532 1153 F HA 0.700 5.218 4.527 -0.016 0.000 0.321 1153 F C -0.033 175.504 175.800 -0.439 0.000 1.089 1153 F CA -0.802 57.002 58.000 -0.327 0.000 0.926 1153 F CB 2.580 41.317 39.000 -0.439 0.000 1.168 1153 F HN 0.494 nan 8.300 nan 0.000 0.459 1154 T N 2.306 116.717 114.554 -0.238 0.000 2.867 1154 T HA 0.549 4.890 4.350 -0.016 0.000 0.282 1154 T C -1.192 173.340 174.700 -0.279 0.000 1.000 1154 T CA -0.401 61.605 62.100 -0.157 0.000 1.042 1154 T CB 0.542 69.426 68.868 0.026 0.000 0.973 1154 T HN 0.317 nan 8.240 nan 0.000 0.465 1155 Y N 0.091 120.478 120.300 0.145 0.000 2.570 1155 Y HA 0.750 5.290 4.550 -0.016 0.000 0.345 1155 Y C 0.633 176.578 175.900 0.075 0.000 1.014 1155 Y CA -0.931 57.224 58.100 0.092 0.000 1.063 1155 Y CB 2.607 41.059 38.460 -0.014 0.000 1.272 1155 Y HN 0.920 nan 8.280 nan 0.000 0.477 1156 G N -0.146 108.810 108.800 0.260 0.000 2.523 1156 G HA2 0.572 4.523 3.960 -0.016 0.000 0.291 1156 G HA3 0.572 4.523 3.960 -0.016 0.000 0.291 1156 G C -2.438 172.575 174.900 0.189 0.000 1.450 1156 G CA -0.741 44.469 45.100 0.182 0.000 0.790 1156 G HN 0.487 nan 8.290 nan 0.000 0.496 1157 V N -0.322 119.680 119.914 0.147 0.000 2.808 1157 V HA 0.845 4.956 4.120 -0.016 0.000 0.308 1157 V C -0.036 176.104 176.094 0.076 0.000 1.099 1157 V CA -0.266 62.121 62.300 0.146 0.000 0.920 1157 V CB 1.508 33.417 31.823 0.143 0.000 1.014 1157 V HN 1.719 nan 8.190 nan 0.000 0.425 1158 A N 2.636 125.504 122.820 0.080 0.000 2.414 1158 A HA 0.830 5.141 4.320 -0.016 0.000 0.306 1158 A C -0.905 176.685 177.584 0.011 0.000 1.054 1158 A CA -0.499 51.567 52.037 0.049 0.000 0.724 1158 A CB 1.792 20.874 19.000 0.137 0.000 1.267 1158 A HN 1.115 nan 8.150 nan 0.000 0.418 1159 C N 1.668 120.956 119.300 -0.020 0.000 2.408 1159 C HA 0.869 5.319 4.460 -0.016 0.000 0.321 1159 C C -0.089 174.918 174.990 0.028 0.000 1.245 1159 C CA -0.045 58.961 59.018 -0.020 0.000 1.523 1159 C CB 0.313 28.009 27.740 -0.073 0.000 2.178 1159 C HN 0.867 nan 8.230 nan 0.000 0.488 1160 S N 3.336 119.072 115.700 0.060 0.000 2.548 1160 S HA 0.593 5.053 4.470 -0.016 0.000 0.286 1160 S C -1.399 173.221 174.600 0.034 0.000 1.098 1160 S CA -0.475 57.759 58.200 0.057 0.000 0.930 1160 S CB 1.760 65.025 63.200 0.109 0.000 1.070 1160 S HN 0.869 nan 8.310 nan 0.000 0.480 1161 E N 1.683 121.886 120.200 0.004 0.000 2.234 1161 E HA 0.637 4.977 4.350 -0.016 0.000 0.266 1161 E C -1.298 175.285 176.600 -0.028 0.000 0.877 1161 E CA -0.758 55.627 56.400 -0.025 0.000 0.758 1161 E CB 1.459 31.127 29.700 -0.054 0.000 1.170 1161 E HN 0.515 nan 8.360 nan 0.000 0.415 1162 V N 0.549 120.441 119.914 -0.036 0.000 3.001 1162 V HA 0.639 4.750 4.120 -0.016 0.000 0.314 1162 V C -0.685 175.374 176.094 -0.059 0.000 1.099 1162 V CA -0.907 61.385 62.300 -0.014 0.000 0.989 1162 V CB 1.843 33.672 31.823 0.009 0.000 1.040 1162 V HN 0.777 nan 8.190 nan 0.000 0.434 1163 E N 2.174 122.353 120.200 -0.035 0.000 2.191 1163 E HA 0.629 4.970 4.350 -0.016 0.000 0.263 1163 E C -0.903 175.722 176.600 0.041 0.000 0.881 1163 E CA -0.901 55.463 56.400 -0.060 0.000 0.757 1163 E CB 1.875 31.496 29.700 -0.132 0.000 1.147 1163 E HN 0.900 nan 8.360 nan 0.000 0.414 1164 I N 0.894 121.498 120.570 0.056 0.000 2.498 1164 I HA 0.489 4.650 4.170 -0.016 0.000 0.301 1164 I C -0.331 175.850 176.117 0.108 0.000 0.984 1164 I CA -0.773 60.582 61.300 0.091 0.000 1.204 1164 I CB 1.569 39.604 38.000 0.058 0.000 1.362 1164 I HN 0.319 nan 8.210 nan 0.000 0.471 1165 D N 5.346 125.805 120.400 0.098 0.000 2.428 1165 D HA 0.247 4.878 4.640 -0.016 0.000 0.221 1165 D C 0.606 176.966 176.300 0.100 0.000 1.123 1165 D CA -0.470 53.591 54.000 0.102 0.000 0.869 1165 D CB 1.334 42.171 40.800 0.062 0.000 1.032 1165 D HN 0.771 nan 8.370 nan 0.000 0.506 1166 C N 3.236 122.628 119.300 0.152 0.000 2.422 1166 C HA -0.052 4.398 4.460 -0.016 0.000 0.286 1166 C C 2.536 177.609 174.990 0.139 0.000 1.412 1166 C CA 0.136 59.256 59.018 0.170 0.000 1.786 1166 C CB -0.893 27.012 27.740 0.274 0.000 1.835 1166 C HN 0.662 nan 8.230 nan 0.000 0.533 1167 L N 0.661 121.933 121.223 0.082 0.000 2.375 1167 L HA -0.010 4.321 4.340 -0.016 0.000 0.215 1167 L C 2.602 179.419 176.870 -0.089 0.000 1.108 1167 L CA 1.684 56.482 54.840 -0.069 0.000 0.830 1167 L CB -0.290 41.639 42.059 -0.217 0.000 0.959 1167 L HN 0.542 nan 8.230 nan 0.000 0.457 1168 T N -6.091 108.440 114.554 -0.038 0.000 2.964 1168 T HA 0.321 4.661 4.350 -0.016 0.000 0.249 1168 T C 1.457 176.146 174.700 -0.018 0.000 1.000 1168 T CA 0.610 62.683 62.100 -0.046 0.000 0.992 1168 T CB 1.105 69.945 68.868 -0.047 0.000 1.087 1168 T HN 0.267 nan 8.240 nan 0.000 0.489 1169 G N 1.299 110.105 108.800 0.009 0.000 2.232 1169 G HA2 -0.181 3.769 3.960 -0.016 0.000 0.226 1169 G HA3 -0.181 3.769 3.960 -0.016 0.000 0.226 1169 G C -0.185 174.745 174.900 0.048 0.000 0.996 1169 G CA 0.010 45.123 45.100 0.022 0.000 0.626 1169 G HN 0.584 nan 8.290 nan 0.000 0.509 1170 D N 1.803 122.224 120.400 0.036 0.000 2.419 1170 D HA 0.391 5.021 4.640 -0.016 0.000 0.236 1170 D C 0.554 176.913 176.300 0.097 0.000 1.165 1170 D CA 1.165 55.188 54.000 0.037 0.000 0.882 1170 D CB 0.322 41.117 40.800 -0.009 0.000 1.201 1170 D HN 0.745 nan 8.370 nan 0.000 0.443 1171 H N -0.918 118.132 119.070 -0.033 0.000 3.012 1171 H HA 0.476 5.022 4.556 -0.017 0.000 0.367 1171 H C -1.326 173.976 175.328 -0.042 0.000 1.211 1171 H CA -0.903 55.124 56.048 -0.036 0.000 1.139 1171 H CB 1.265 31.000 29.762 -0.046 0.000 1.838 1171 H HN 0.144 nan 8.280 nan 0.000 0.550 1172 K N 1.382 121.749 120.400 -0.055 0.000 2.207 1172 K HA 0.295 4.606 4.320 -0.016 0.000 0.255 1172 K C -0.670 175.936 176.600 0.011 0.000 0.941 1172 K CA -0.940 55.288 56.287 -0.098 0.000 0.825 1172 K CB 1.170 33.634 32.500 -0.060 0.000 1.119 1172 K HN 0.497 nan 8.250 nan 0.000 0.430 1173 N N 3.885 122.567 118.700 -0.030 0.000 2.462 1173 N HA 0.160 4.890 4.740 -0.016 0.000 0.242 1173 N C 0.451 175.938 175.510 -0.038 0.000 1.010 1173 N CA -0.014 53.038 53.050 0.003 0.000 0.939 1173 N CB 0.988 39.465 38.487 -0.016 0.000 1.127 1173 N HN 0.459 nan 8.380 nan 0.000 0.509 1174 L N 1.175 122.375 121.223 -0.039 0.000 2.145 1174 L HA 0.209 4.540 4.340 -0.016 0.000 0.201 1174 L C 0.995 177.837 176.870 -0.047 0.000 1.075 1174 L CA 0.709 55.517 54.840 -0.053 0.000 0.773 1174 L CB 0.145 42.159 42.059 -0.076 0.000 0.936 1174 L HN 0.360 nan 8.230 nan 0.000 0.451 1175 R N -0.919 119.554 120.500 -0.045 0.000 2.579 1175 R HA 0.369 4.700 4.340 -0.016 0.000 0.260 1175 R C -1.679 174.599 176.300 -0.038 0.000 1.103 1175 R CA -0.271 55.806 56.100 -0.039 0.000 0.942 1175 R CB 1.985 32.266 30.300 -0.030 0.000 1.251 1175 R HN -0.217 nan 8.270 nan 0.000 0.450 1176 T N 2.739 117.264 114.554 -0.048 0.000 2.881 1176 T HA 0.363 4.704 4.350 -0.016 0.000 0.290 1176 T C -1.625 173.066 174.700 -0.015 0.000 1.000 1176 T CA -0.600 61.467 62.100 -0.055 0.000 0.978 1176 T CB 1.546 70.300 68.868 -0.191 0.000 0.997 1176 T HN 0.517 nan 8.240 nan 0.000 0.443 1177 D N 2.014 122.394 120.400 -0.033 0.000 2.375 1177 D HA 0.637 5.267 4.640 -0.016 0.000 0.247 1177 D C -0.628 175.635 176.300 -0.062 0.000 1.061 1177 D CA -0.327 53.649 54.000 -0.039 0.000 0.834 1177 D CB 1.621 42.393 40.800 -0.047 0.000 1.247 1177 D HN 0.340 nan 8.370 nan 0.000 0.489 1178 I N 1.666 122.195 120.570 -0.068 0.000 2.498 1178 I HA 0.374 4.535 4.170 -0.016 0.000 0.290 1178 I C -0.942 175.151 176.117 -0.041 0.000 1.032 1178 I CA -1.004 60.261 61.300 -0.058 0.000 1.073 1178 I CB 2.090 40.037 38.000 -0.088 0.000 1.251 1178 I HN 0.040 nan 8.210 nan 0.000 0.426 1179 V N 6.662 126.567 119.914 -0.015 0.000 2.378 1179 V HA 0.460 4.571 4.120 -0.016 0.000 0.288 1179 V C -0.278 175.835 176.094 0.032 0.000 1.016 1179 V CA -0.446 61.852 62.300 -0.002 0.000 0.840 1179 V CB 1.518 33.336 31.823 -0.008 0.000 0.994 1179 V HN 0.632 nan 8.190 nan 0.000 0.431 1180 M N 4.250 123.868 119.600 0.029 0.000 2.383 1180 M HA 0.514 4.984 4.480 -0.016 0.000 0.325 1180 M C -0.801 175.535 176.300 0.059 0.000 1.092 1180 M CA -0.438 54.894 55.300 0.054 0.000 0.961 1180 M CB 1.648 34.272 32.600 0.040 0.000 1.672 1180 M HN 0.648 nan 8.290 nan 0.000 0.438 1181 D N 3.647 124.105 120.400 0.096 0.000 2.428 1181 D HA 0.331 4.962 4.640 -0.016 0.000 0.221 1181 D C -0.100 176.258 176.300 0.098 0.000 1.123 1181 D CA -0.358 53.704 54.000 0.103 0.000 0.869 1181 D CB 0.730 41.628 40.800 0.163 0.000 1.032 1181 D HN 0.419 nan 8.370 nan 0.000 0.506 1182 V N 2.151 122.102 119.914 0.061 0.000 2.940 1182 V HA 0.611 4.721 4.120 -0.016 0.000 0.366 1182 V C 1.139 177.252 176.094 0.031 0.000 1.353 1182 V CA 0.250 62.581 62.300 0.052 0.000 1.232 1182 V CB -0.334 31.511 31.823 0.036 0.000 1.278 1182 V HN 0.669 nan 8.190 nan 0.000 0.546 1183 G N 1.651 110.467 108.800 0.027 0.000 2.581 1183 G HA2 -0.266 3.684 3.960 -0.016 0.000 0.291 1183 G HA3 -0.266 3.684 3.960 -0.016 0.000 0.291 1183 G C 0.102 174.999 174.900 -0.003 0.000 1.277 1183 G CA 0.183 45.280 45.100 -0.004 0.000 0.959 1183 G HN 1.065 nan 8.290 nan 0.000 0.554 1184 S N 0.248 115.941 115.700 -0.012 0.000 2.400 1184 S HA 0.513 4.973 4.470 -0.016 0.000 0.295 1184 S C 0.538 175.138 174.600 0.000 0.000 1.113 1184 S CA 0.551 58.748 58.200 -0.006 0.000 1.064 1184 S CB 1.243 64.439 63.200 -0.005 0.000 0.990 1184 S HN 1.140 nan 8.310 nan 0.000 0.502 1185 S N 3.111 118.811 115.700 0.000 0.000 2.552 1185 S HA 0.121 4.581 4.470 -0.016 0.000 0.289 1185 S C 1.276 175.877 174.600 0.002 0.000 1.304 1185 S CA -0.572 57.630 58.200 0.003 0.000 1.063 1185 S CB 0.037 63.237 63.200 -0.001 0.000 0.848 1185 S HN 0.635 nan 8.310 nan 0.000 0.499 1186 L N 3.432 124.661 121.223 0.011 0.000 2.291 1186 L HA 0.167 4.497 4.340 -0.016 0.000 0.214 1186 L C 1.112 177.979 176.870 -0.005 0.000 1.120 1186 L CA 0.384 55.229 54.840 0.009 0.000 0.799 1186 L CB -0.298 41.779 42.059 0.030 0.000 0.925 1186 L HN 0.590 nan 8.230 nan 0.000 0.446 1187 N N -1.048 117.650 118.700 -0.003 0.000 2.932 1187 N HA 0.135 4.866 4.740 -0.016 0.000 0.242 1187 N C -2.347 173.160 175.510 -0.004 0.000 1.351 1187 N CA -1.010 52.036 53.050 -0.006 0.000 0.785 1187 N CB 1.437 39.921 38.487 -0.004 0.000 1.501 1187 N HN -0.298 nan 8.380 nan 0.000 0.584 1188 P HA -0.078 nan 4.420 nan 0.000 0.217 1188 P C 1.041 178.334 177.300 -0.012 0.000 1.148 1188 P CA 1.295 64.388 63.100 -0.011 0.000 0.828 1188 P CB 0.404 32.095 31.700 -0.016 0.000 0.783 1189 A N -0.563 122.253 122.820 -0.007 0.000 1.897 1189 A HA -0.133 4.177 4.320 -0.016 0.000 0.215 1189 A C 2.125 179.712 177.584 0.005 0.000 1.181 1189 A CA 1.235 53.269 52.037 -0.005 0.000 0.620 1189 A CB -1.351 17.651 19.000 0.003 0.000 0.821 1189 A HN 0.016 nan 8.150 nan 0.000 0.443 1190 I N 0.670 121.248 120.570 0.014 0.000 2.179 1190 I HA -0.191 3.969 4.170 -0.016 0.000 0.242 1190 I C 1.749 177.876 176.117 0.018 0.000 1.088 1190 I CA 1.564 62.880 61.300 0.027 0.000 1.357 1190 I CB -1.490 36.525 38.000 0.025 0.000 1.051 1190 I HN 0.281 nan 8.210 nan 0.000 0.409 1191 D N 0.891 121.295 120.400 0.007 0.000 2.117 1191 D HA -0.120 4.511 4.640 -0.016 0.000 0.197 1191 D C 2.362 178.657 176.300 -0.008 0.000 0.987 1191 D CA 1.074 55.077 54.000 0.004 0.000 0.829 1191 D CB -0.121 40.681 40.800 0.004 0.000 0.961 1191 D HN 0.313 nan 8.370 nan 0.000 0.460 1192 I N 1.010 121.565 120.570 -0.024 0.000 2.226 1192 I HA -0.175 3.985 4.170 -0.016 0.000 0.245 1192 I C 2.533 178.616 176.117 -0.056 0.000 1.100 1192 I CA 1.223 62.491 61.300 -0.054 0.000 1.374 1192 I CB -0.429 37.527 38.000 -0.072 0.000 1.057 1192 I HN 0.019 nan 8.210 nan 0.000 0.413 1193 G N 0.056 108.840 108.800 -0.027 0.000 2.469 1193 G HA2 -0.261 3.689 3.960 -0.016 0.000 0.219 1193 G HA3 -0.261 3.689 3.960 -0.016 0.000 0.219 1193 G C 1.586 176.499 174.900 0.022 0.000 1.150 1193 G CA 0.548 45.645 45.100 -0.006 0.000 0.763 1193 G HN 0.322 nan 8.290 nan 0.000 0.561 1194 Q N -0.087 119.731 119.800 0.030 0.000 2.172 1194 Q HA 0.031 4.361 4.340 -0.016 0.000 0.200 1194 Q C 2.990 179.023 176.000 0.054 0.000 0.964 1194 Q CA 0.702 56.537 55.803 0.052 0.000 0.855 1194 Q CB -0.380 28.384 28.738 0.044 0.000 0.918 1194 Q HN 0.436 nan 8.270 nan 0.000 0.444 1195 V N 1.512 121.442 119.914 0.027 0.000 2.295 1195 V HA -0.252 3.859 4.120 -0.016 0.000 0.246 1195 V C 2.084 178.224 176.094 0.076 0.000 1.049 1195 V CA 1.921 64.244 62.300 0.037 0.000 1.024 1195 V CB -0.467 31.352 31.823 -0.008 0.000 0.648 1195 V HN 0.372 nan 8.190 nan 0.000 0.447 1196 E N 0.249 120.447 120.200 -0.003 0.000 2.077 1196 E HA -0.136 4.204 4.350 -0.016 0.000 0.193 1196 E C 2.312 179.037 176.600 0.209 0.000 0.989 1196 E CA 1.250 57.673 56.400 0.037 0.000 0.800 1196 E CB -0.516 29.063 29.700 -0.201 0.000 0.746 1196 E HN 0.641 nan 8.360 nan 0.000 0.452 1197 G N 1.334 110.212 108.800 0.130 0.000 2.414 1197 G HA2 -0.256 3.695 3.960 -0.016 0.000 0.215 1197 G HA3 -0.256 3.695 3.960 -0.016 0.000 0.215 1197 G C 1.731 176.712 174.900 0.135 0.000 1.188 1197 G CA 0.956 46.134 45.100 0.130 0.000 0.783 1197 G HN 0.350 nan 8.290 nan 0.000 0.537 1198 A N 0.608 123.513 122.820 0.142 0.000 1.873 1198 A HA -0.074 4.237 4.320 -0.016 0.000 0.218 1198 A C 2.239 179.902 177.584 0.131 0.000 1.193 1198 A CA 1.887 53.997 52.037 0.120 0.000 0.629 1198 A CB -0.742 18.319 19.000 0.102 0.000 0.826 1198 A HN 0.536 nan 8.150 nan 0.000 0.447 1199 F N 0.452 120.441 119.950 0.065 0.000 2.126 1199 F HA -0.150 4.366 4.527 -0.018 0.000 0.299 1199 F C 2.109 177.934 175.800 0.043 0.000 1.096 1199 F CA 2.008 60.055 58.000 0.079 0.000 1.255 1199 F CB -0.166 38.927 39.000 0.155 0.000 0.997 1199 F HN 0.024 nan 8.300 nan 0.000 0.479 1200 V N 0.296 120.331 119.914 0.201 0.000 2.626 1200 V HA -0.262 3.848 4.120 -0.016 0.000 0.252 1200 V C 2.260 178.269 176.094 -0.142 0.000 1.067 1200 V CA 1.980 64.294 62.300 0.024 0.000 1.081 1200 V CB -0.562 31.351 31.823 0.149 0.000 0.686 1200 V HN 0.438 nan 8.190 nan 0.000 0.468 1201 Q N -0.391 119.337 119.800 -0.120 0.000 2.172 1201 Q HA -0.093 4.238 4.340 -0.016 0.000 0.200 1201 Q C 2.302 178.123 176.000 -0.297 0.000 0.964 1201 Q CA 1.403 57.097 55.803 -0.182 0.000 0.855 1201 Q CB -0.301 28.363 28.738 -0.124 0.000 0.918 1201 Q HN 0.721 nan 8.270 nan 0.000 0.444 1202 G N 1.083 109.691 108.800 -0.320 0.000 2.394 1202 G HA2 -0.231 3.719 3.960 -0.016 0.000 0.215 1202 G HA3 -0.231 3.719 3.960 -0.016 0.000 0.215 1202 G C 1.386 175.999 174.900 -0.478 0.000 1.165 1202 G CA 0.777 45.609 45.100 -0.447 0.000 0.784 1202 G HN 0.363 nan 8.290 nan 0.000 0.535 1203 L N 1.872 122.817 121.223 -0.463 0.000 2.081 1203 L HA 0.097 4.427 4.340 -0.016 0.000 0.212 1203 L C 2.471 179.188 176.870 -0.256 0.000 1.080 1203 L CA 2.513 57.143 54.840 -0.349 0.000 0.754 1203 L CB -1.306 40.493 42.059 -0.433 0.000 0.893 1203 L HN 0.118 nan 8.230 nan 0.000 0.433 1204 G N 0.033 108.660 108.800 -0.288 0.000 2.421 1204 G HA2 -0.294 3.657 3.960 -0.016 0.000 0.216 1204 G HA3 -0.294 3.657 3.960 -0.016 0.000 0.216 1204 G C 1.598 176.296 174.900 -0.336 0.000 1.171 1204 G CA 1.030 45.962 45.100 -0.280 0.000 0.775 1204 G HN 0.497 nan 8.290 nan 0.000 0.543 1205 L N -0.241 120.686 121.223 -0.493 0.000 2.042 1205 L HA 0.092 4.423 4.340 -0.016 0.000 0.210 1205 L C 2.372 178.896 176.870 -0.577 0.000 1.076 1205 L CA 1.709 56.159 54.840 -0.650 0.000 0.749 1205 L CB -0.540 40.916 42.059 -1.006 0.000 0.893 1205 L HN 0.281 nan 8.230 nan 0.000 0.432 1206 F N -1.520 118.267 119.950 -0.272 0.000 2.743 1206 F HA 0.038 4.557 4.527 -0.015 0.000 0.297 1206 F C 1.785 177.549 175.800 -0.061 0.000 1.131 1206 F CA 0.604 58.457 58.000 -0.245 0.000 1.426 1206 F CB -0.178 38.661 39.000 -0.269 0.000 1.116 1206 F HN 0.305 nan 8.300 nan 0.000 0.583 1207 T N -4.814 109.760 114.554 0.033 0.000 3.254 1207 T HA 0.139 4.480 4.350 -0.016 0.000 0.267 1207 T C 1.201 175.891 174.700 -0.018 0.000 0.946 1207 T CA 0.064 62.183 62.100 0.032 0.000 0.991 1207 T CB -0.211 68.682 68.868 0.041 0.000 1.205 1207 T HN -0.034 nan 8.240 nan 0.000 0.494 1208 L N 1.302 122.468 121.223 -0.095 0.000 2.286 1208 L HA 0.514 4.844 4.340 -0.016 0.000 0.203 1208 L C 0.604 177.334 176.870 -0.234 0.000 1.068 1208 L CA 0.892 55.644 54.840 -0.146 0.000 0.811 1208 L CB -0.414 41.535 42.059 -0.182 0.000 0.989 1208 L HN 0.367 nan 8.230 nan 0.000 0.467 1209 E N 0.629 120.653 120.200 -0.293 0.000 2.227 1209 E HA 0.320 4.660 4.350 -0.016 0.000 0.282 1209 E C -0.339 176.146 176.600 -0.193 0.000 1.015 1209 E CA -0.070 56.060 56.400 -0.450 0.000 0.823 1209 E CB 1.119 30.526 29.700 -0.488 0.000 1.081 1209 E HN 0.054 nan 8.360 nan 0.000 0.396 1210 E N 3.857 123.990 120.200 -0.112 0.000 2.294 1210 E HA 0.212 4.552 4.350 -0.016 0.000 0.272 1210 E C -1.390 175.374 176.600 0.274 0.000 0.896 1210 E CA -0.445 56.020 56.400 0.108 0.000 0.802 1210 E CB 1.066 30.794 29.700 0.047 0.000 1.267 1210 E HN 0.405 nan 8.360 nan 0.000 0.406 1211 L N 3.737 125.120 121.223 0.266 0.000 2.326 1211 L HA 0.423 4.754 4.340 -0.016 0.000 0.278 1211 L C -0.259 176.658 176.870 0.078 0.000 1.092 1211 L CA -0.539 54.375 54.840 0.123 0.000 0.810 1211 L CB 0.849 42.944 42.059 0.061 0.000 1.153 1211 L HN 0.533 nan 8.230 nan 0.000 0.439 1212 H N 2.279 121.218 119.070 -0.218 0.000 2.782 1212 H HA 0.478 5.025 4.556 -0.015 0.000 0.347 1212 H C -1.605 173.590 175.328 -0.222 0.000 1.038 1212 H CA -0.556 55.433 56.048 -0.098 0.000 1.255 1212 H CB 1.013 30.797 29.762 0.037 0.000 1.623 1212 H HN 0.305 nan 8.280 nan 0.000 0.525 1213 Y N 1.845 122.000 120.300 -0.242 0.000 2.496 1213 Y HA 0.362 4.902 4.550 -0.016 0.000 0.331 1213 Y C 0.791 176.532 175.900 -0.265 0.000 1.140 1213 Y CA -0.618 57.350 58.100 -0.219 0.000 1.166 1213 Y CB 1.617 40.024 38.460 -0.088 0.000 1.249 1213 Y HN 0.747 nan 8.280 nan 0.000 0.479 1214 S N 1.296 116.936 115.700 -0.100 0.000 2.593 1214 S HA 0.174 4.634 4.470 -0.016 0.000 0.269 1214 S C -1.932 172.690 174.600 0.036 0.000 1.334 1214 S CA -1.012 57.184 58.200 -0.008 0.000 1.015 1214 S CB 1.016 64.149 63.200 -0.112 0.000 0.912 1214 S HN 0.481 nan 8.310 nan 0.000 0.541 1215 P HA -0.083 nan 4.420 nan 0.000 0.218 1215 P C 0.462 177.770 177.300 0.013 0.000 1.146 1215 P CA 1.255 64.379 63.100 0.039 0.000 0.813 1215 P CB -0.103 31.623 31.700 0.043 0.000 0.778 1216 E N -1.570 118.631 120.200 0.003 0.000 2.476 1216 E HA 0.280 4.621 4.350 -0.016 0.000 0.191 1216 E C 1.293 177.880 176.600 -0.021 0.000 1.064 1216 E CA 0.585 56.977 56.400 -0.012 0.000 0.866 1216 E CB -0.847 28.841 29.700 -0.020 0.000 0.952 1216 E HN 0.179 nan 8.360 nan 0.000 0.492 1217 G N 0.528 109.319 108.800 -0.015 0.000 2.137 1217 G HA2 -0.282 3.668 3.960 -0.016 0.000 0.237 1217 G HA3 -0.282 3.668 3.960 -0.016 0.000 0.237 1217 G C 0.237 175.153 174.900 0.027 0.000 1.002 1217 G CA 0.368 45.455 45.100 -0.022 0.000 0.702 1217 G HN 0.281 nan 8.290 nan 0.000 0.515 1218 S N -0.461 115.240 115.700 0.001 0.000 2.457 1218 S HA 0.645 5.105 4.470 -0.016 0.000 0.289 1218 S C 0.310 174.859 174.600 -0.086 0.000 1.163 1218 S CA -0.657 57.520 58.200 -0.038 0.000 1.078 1218 S CB 0.963 64.089 63.200 -0.124 0.000 0.987 1218 S HN 1.064 nan 8.310 nan 0.000 0.482 1219 L N 6.223 127.437 121.223 -0.015 0.000 2.410 1219 L HA 0.317 4.648 4.340 -0.016 0.000 0.273 1219 L C 1.077 177.817 176.870 -0.216 0.000 1.144 1219 L CA 0.604 55.349 54.840 -0.159 0.000 0.863 1219 L CB 0.383 42.392 42.059 -0.084 0.000 1.140 1219 L HN 0.805 nan 8.230 nan 0.000 0.463 1220 H N 1.825 120.794 119.070 -0.167 0.000 2.486 1220 H HA 0.106 4.653 4.556 -0.016 0.000 0.287 1220 H C 0.150 175.466 175.328 -0.020 0.000 1.010 1220 H CA 1.055 57.063 56.048 -0.067 0.000 1.324 1220 H CB 0.198 29.932 29.762 -0.046 0.000 1.446 1220 H HN 0.676 nan 8.280 nan 0.000 0.537 1221 T N -0.033 114.566 114.554 0.075 0.000 2.794 1221 T HA 0.459 4.800 4.350 -0.016 0.000 0.304 1221 T C 0.684 175.405 174.700 0.036 0.000 0.973 1221 T CA -0.662 61.492 62.100 0.090 0.000 0.972 1221 T CB 0.751 69.699 68.868 0.133 0.000 0.952 1221 T HN 0.199 nan 8.240 nan 0.000 0.509 1222 R N 1.878 122.423 120.500 0.076 0.000 2.592 1222 R HA 0.446 4.776 4.340 -0.016 0.000 0.439 1222 R C 0.538 176.902 176.300 0.108 0.000 0.995 1222 R CA -0.601 55.535 56.100 0.060 0.000 1.141 1222 R CB 1.320 31.649 30.300 0.048 0.000 1.495 1222 R HN 0.819 nan 8.270 nan 0.000 0.579 1223 G N 0.405 109.311 108.800 0.178 0.000 2.559 1223 G HA2 0.198 4.149 3.960 -0.016 0.000 0.291 1223 G HA3 0.198 4.149 3.960 -0.016 0.000 0.291 1223 G C -2.604 172.479 174.900 0.306 0.000 1.424 1223 G CA -0.768 44.473 45.100 0.234 0.000 0.786 1223 G HN -0.287 nan 8.290 nan 0.000 0.485 1224 P HA -0.034 nan 4.420 nan 0.000 0.228 1224 P C 1.463 178.817 177.300 0.090 0.000 1.151 1224 P CA 1.583 64.796 63.100 0.188 0.000 0.770 1224 P CB 0.276 32.101 31.700 0.208 0.000 0.786 1225 S N -1.579 114.183 115.700 0.102 0.000 2.548 1225 S HA 0.025 4.485 4.470 -0.016 0.000 0.215 1225 S C 1.466 176.102 174.600 0.059 0.000 0.976 1225 S CA 0.832 59.069 58.200 0.060 0.000 0.908 1225 S CB -1.105 62.129 63.200 0.056 0.000 0.781 1225 S HN 0.266 nan 8.310 nan 0.000 0.519 1226 T N -3.153 111.461 114.554 0.101 0.000 2.975 1226 T HA 0.310 4.651 4.350 -0.016 0.000 0.261 1226 T C -0.349 174.443 174.700 0.154 0.000 0.984 1226 T CA -0.336 61.827 62.100 0.106 0.000 0.911 1226 T CB -0.277 68.663 68.868 0.119 0.000 1.127 1226 T HN 0.347 nan 8.240 nan 0.000 0.514 1227 Y N 2.493 122.792 120.300 -0.001 0.000 2.332 1227 Y HA 0.553 5.094 4.550 -0.015 0.000 0.326 1227 Y C -1.321 174.502 175.900 -0.128 0.000 0.978 1227 Y CA -1.477 56.601 58.100 -0.038 0.000 1.205 1227 Y CB 1.224 39.695 38.460 0.018 0.000 1.131 1227 Y HN -0.177 nan 8.280 nan 0.000 0.462 1228 K N 8.373 128.501 120.400 -0.454 0.000 2.281 1228 K HA 0.381 4.692 4.320 -0.016 0.000 0.272 1228 K C -0.420 175.872 176.600 -0.514 0.000 1.048 1228 K CA -0.417 55.646 56.287 -0.374 0.000 0.898 1228 K CB 0.963 33.318 32.500 -0.243 0.000 1.128 1228 K HN 0.815 nan 8.250 nan 0.000 0.460 1229 I N -0.543 119.745 120.570 -0.470 0.000 2.664 1229 I HA 0.489 4.649 4.170 -0.016 0.000 0.308 1229 I C -2.182 173.770 176.117 -0.276 0.000 0.984 1229 I CA -2.725 58.333 61.300 -0.404 0.000 1.213 1229 I CB 0.543 38.291 38.000 -0.421 0.000 1.379 1229 I HN 0.193 nan 8.210 nan 0.000 0.501 1230 P HA 0.142 nan 4.420 nan 0.000 0.265 1230 P C -0.774 176.446 177.300 -0.133 0.000 1.187 1230 P CA 0.126 63.129 63.100 -0.161 0.000 0.766 1230 P CB 0.580 32.194 31.700 -0.143 0.000 0.820 1231 A N 1.838 124.604 122.820 -0.091 0.000 2.347 1231 A HA 0.509 4.819 4.320 -0.016 0.000 0.301 1231 A C 0.701 178.289 177.584 0.005 0.000 1.163 1231 A CA -0.542 51.480 52.037 -0.025 0.000 0.860 1231 A CB -0.025 18.983 19.000 0.014 0.000 1.367 1231 A HN 0.420 nan 8.150 nan 0.000 0.461 1232 F N 0.429 120.368 119.950 -0.018 0.000 2.120 1232 F HA -0.130 4.388 4.527 -0.016 0.000 0.300 1232 F C 2.467 178.259 175.800 -0.012 0.000 1.095 1232 F CA 2.620 60.620 58.000 -0.001 0.000 1.249 1232 F CB -0.219 38.782 39.000 0.003 0.000 0.995 1232 F HN 0.626 nan 8.300 nan 0.000 0.480 1233 G N -2.069 106.824 108.800 0.156 0.000 2.920 1233 G HA2 -0.039 3.912 3.960 -0.016 0.000 0.208 1233 G HA3 -0.039 3.912 3.960 -0.016 0.000 0.208 1233 G C 1.477 176.371 174.900 -0.010 0.000 1.159 1233 G CA 0.575 45.710 45.100 0.059 0.000 0.784 1233 G HN 0.302 nan 8.290 nan 0.000 0.535 1234 S N 0.109 115.792 115.700 -0.028 0.000 2.470 1234 S HA 0.127 4.587 4.470 -0.016 0.000 0.225 1234 S C 1.197 175.748 174.600 -0.081 0.000 1.006 1234 S CA -0.118 58.036 58.200 -0.078 0.000 0.934 1234 S CB -0.131 63.014 63.200 -0.092 0.000 0.778 1234 S HN 0.629 nan 8.310 nan 0.000 0.517 1235 I N 0.017 120.551 120.570 -0.060 0.000 2.764 1235 I HA 0.431 4.591 4.170 -0.016 0.000 0.294 1235 I C -2.939 173.099 176.117 -0.133 0.000 1.045 1235 I CA -2.703 58.534 61.300 -0.105 0.000 1.340 1235 I CB -0.002 37.970 38.000 -0.046 0.000 1.436 1235 I HN -0.220 nan 8.210 nan 0.000 0.567 1236 P HA 0.117 nan 4.420 nan 0.000 0.267 1236 P C 0.397 177.639 177.300 -0.097 0.000 1.205 1236 P CA -0.102 62.882 63.100 -0.192 0.000 0.765 1236 P CB 0.755 32.265 31.700 -0.317 0.000 0.828 1237 T N 0.803 115.330 114.554 -0.046 0.000 2.699 1237 T HA -0.136 4.204 4.350 -0.016 0.000 0.268 1237 T C 0.646 175.361 174.700 0.024 0.000 1.036 1237 T CA 1.474 63.571 62.100 -0.005 0.000 1.147 1237 T CB -0.208 68.652 68.868 -0.013 0.000 0.862 1237 T HN 0.442 nan 8.240 nan 0.000 0.446 1238 E N 0.424 120.633 120.200 0.016 0.000 2.102 1238 E HA 0.322 4.663 4.350 -0.016 0.000 0.263 1238 E C -1.624 175.036 176.600 0.100 0.000 0.894 1238 E CA -0.265 56.164 56.400 0.047 0.000 0.746 1238 E CB 0.863 30.574 29.700 0.017 0.000 1.129 1238 E HN 0.411 nan 8.360 nan 0.000 0.416 1239 F N 3.994 123.914 119.950 -0.049 0.000 2.382 1239 F HA 0.405 4.923 4.527 -0.015 0.000 0.361 1239 F C -0.088 175.654 175.800 -0.097 0.000 1.109 1239 F CA -0.850 57.098 58.000 -0.086 0.000 1.031 1239 F CB 0.715 39.673 39.000 -0.069 0.000 1.234 1239 F HN 0.134 nan 8.300 nan 0.000 0.445 1240 R N 5.282 125.878 120.500 0.159 0.000 2.439 1240 R HA 0.588 4.919 4.340 -0.016 0.000 0.310 1240 R C -1.529 174.714 176.300 -0.095 0.000 0.955 1240 R CA -0.907 55.179 56.100 -0.023 0.000 0.853 1240 R CB 2.702 32.995 30.300 -0.012 0.000 1.171 1240 R HN 0.328 nan 8.270 nan 0.000 0.449 1241 V N 1.984 121.801 119.914 -0.162 0.000 2.540 1241 V HA 0.415 4.526 4.120 -0.016 0.000 0.302 1241 V C -0.332 175.703 176.094 -0.098 0.000 1.035 1241 V CA -0.595 61.613 62.300 -0.152 0.000 0.873 1241 V CB 2.058 33.743 31.823 -0.231 0.000 0.992 1241 V HN 0.742 nan 8.190 nan 0.000 0.428 1242 S N 4.913 120.573 115.700 -0.068 0.000 2.521 1242 S HA 0.695 5.156 4.470 -0.016 0.000 0.295 1242 S C -0.607 173.975 174.600 -0.031 0.000 1.098 1242 S CA -0.590 57.582 58.200 -0.047 0.000 0.999 1242 S CB 1.514 64.692 63.200 -0.037 0.000 1.034 1242 S HN 0.526 nan 8.310 nan 0.000 0.483 1243 L N 2.965 124.174 121.223 -0.024 0.000 2.305 1243 L HA 0.426 4.757 4.340 -0.016 0.000 0.281 1243 L C -0.116 176.752 176.870 -0.004 0.000 1.085 1243 L CA -0.853 53.981 54.840 -0.009 0.000 0.813 1243 L CB 0.543 42.596 42.059 -0.009 0.000 1.157 1243 L HN 0.471 nan 8.230 nan 0.000 0.436 1244 L N 4.241 125.468 121.223 0.007 0.000 2.456 1244 L HA 0.164 4.494 4.340 -0.016 0.000 0.272 1244 L C 0.335 177.208 176.870 0.005 0.000 1.189 1244 L CA 0.574 55.418 54.840 0.008 0.000 0.846 1244 L CB 0.292 42.361 42.059 0.018 0.000 1.111 1244 L HN 0.515 nan 8.230 nan 0.000 0.475 1245 R N 2.993 123.494 120.500 0.001 0.000 2.596 1245 R HA 0.341 4.672 4.340 -0.016 0.000 0.267 1245 R C -0.543 175.758 176.300 0.001 0.000 1.026 1245 R CA -0.767 55.333 56.100 -0.001 0.000 1.087 1245 R CB 0.501 30.799 30.300 -0.004 0.000 1.132 1245 R HN 0.704 nan 8.270 nan 0.000 0.531 1246 D N 0.330 120.730 120.400 -0.001 0.000 2.697 1246 D HA -0.140 4.490 4.640 -0.016 0.000 0.238 1246 D C -0.470 175.831 176.300 0.001 0.000 1.152 1246 D CA 0.961 54.961 54.000 -0.001 0.000 0.666 1246 D CB -1.174 39.626 40.800 0.000 0.000 1.037 1246 D HN 0.718 nan 8.370 nan 0.000 0.423 1247 C N -1.472 117.829 119.300 0.001 0.000 3.517 1247 C HA 0.393 4.844 4.460 -0.016 0.000 0.202 1247 C C -2.247 172.739 174.990 -0.006 0.000 1.370 1247 C CA -1.814 57.206 59.018 0.003 0.000 1.308 1247 C CB 0.569 28.317 27.740 0.013 0.000 1.840 1247 C HN 0.094 nan 8.230 nan 0.000 0.525 1248 P HA 0.072 nan 4.420 nan 0.000 0.266 1248 P C -0.460 176.807 177.300 -0.054 0.000 1.195 1248 P CA 0.659 63.741 63.100 -0.030 0.000 0.768 1248 P CB 0.757 32.444 31.700 -0.023 0.000 0.838 1249 N N 2.340 120.981 118.700 -0.098 0.000 2.462 1249 N HA 0.068 4.798 4.740 -0.016 0.000 0.242 1249 N C 0.961 176.366 175.510 -0.174 0.000 1.010 1249 N CA -0.263 52.680 53.050 -0.179 0.000 0.939 1249 N CB 0.369 38.660 38.487 -0.326 0.000 1.127 1249 N HN 0.163 nan 8.380 nan 0.000 0.509 1250 K N 1.799 122.118 120.400 -0.135 0.000 2.218 1250 K HA -0.119 4.191 4.320 -0.016 0.000 0.205 1250 K C 0.697 177.216 176.600 -0.134 0.000 1.046 1250 K CA 1.120 57.341 56.287 -0.109 0.000 0.933 1250 K CB 0.217 32.673 32.500 -0.074 0.000 0.728 1250 K HN 0.519 nan 8.250 nan 0.000 0.454 1251 K N -0.614 119.653 120.400 -0.221 0.000 2.393 1251 K HA 0.145 4.456 4.320 -0.016 0.000 0.193 1251 K C 0.425 176.982 176.600 -0.072 0.000 1.026 1251 K CA 0.180 56.351 56.287 -0.194 0.000 1.064 1251 K CB 0.993 33.217 32.500 -0.460 0.000 0.833 1251 K HN 0.046 nan 8.250 nan 0.000 0.521 1252 A N 0.977 123.693 122.820 -0.173 0.000 2.532 1252 A HA 0.463 4.773 4.320 -0.016 0.000 0.290 1252 A C -0.851 176.618 177.584 -0.193 0.000 1.143 1252 A CA -0.862 51.102 52.037 -0.123 0.000 0.728 1252 A CB 0.840 19.793 19.000 -0.078 0.000 1.317 1252 A HN 0.105 nan 8.150 nan 0.000 0.414 1253 I N 0.795 121.224 120.570 -0.236 0.000 2.906 1253 I HA 0.039 4.199 4.170 -0.016 0.000 0.301 1253 I C 0.158 176.151 176.117 -0.207 0.000 1.221 1253 I CA 1.245 62.331 61.300 -0.356 0.000 1.435 1253 I CB -1.114 36.680 38.000 -0.344 0.000 1.345 1253 I HN 0.614 nan 8.210 nan 0.000 0.558 1254 Y N 5.966 126.158 120.300 -0.180 0.000 3.305 1254 Y HA -0.279 4.261 4.550 -0.016 0.000 0.214 1254 Y C 1.460 177.299 175.900 -0.102 0.000 1.185 1254 Y CA 0.547 58.572 58.100 -0.126 0.000 1.326 1254 Y CB -1.773 36.633 38.460 -0.090 0.000 1.367 1254 Y HN 1.002 nan 8.280 nan 0.000 0.588 1255 A N -1.364 121.446 122.820 -0.017 0.000 2.945 1255 A HA -0.288 4.022 4.320 -0.016 0.000 0.263 1255 A C 1.106 178.653 177.584 -0.062 0.000 1.293 1255 A CA 1.135 53.140 52.037 -0.053 0.000 0.944 1255 A CB -1.980 17.006 19.000 -0.024 0.000 1.093 1255 A HN 1.326 nan 8.150 nan 0.000 0.786 1256 S N -0.978 114.695 115.700 -0.045 0.000 2.661 1256 S HA 0.738 5.198 4.470 -0.016 0.000 0.265 1256 S C -0.028 174.531 174.600 -0.068 0.000 1.225 1256 S CA 0.184 58.365 58.200 -0.032 0.000 0.986 1256 S CB 1.275 64.480 63.200 0.007 0.000 1.008 1256 S HN 0.595 nan 8.310 nan 0.000 0.565 1257 K N -0.505 119.895 120.400 0.000 0.000 2.508 1257 K HA 0.627 4.938 4.320 -0.016 0.000 0.260 1257 K C -0.857 175.827 176.600 0.140 0.000 0.949 1257 K CA -0.828 55.514 56.287 0.092 0.000 0.834 1257 K CB 2.184 34.748 32.500 0.107 0.000 1.365 1257 K HN 0.856 nan 8.250 nan 0.000 0.437 1258 A N 1.232 124.185 122.820 0.221 0.000 2.540 1258 A HA 0.118 4.428 4.320 -0.016 0.000 0.239 1258 A C 0.605 178.215 177.584 0.043 0.000 1.061 1258 A CA 0.043 52.136 52.037 0.092 0.000 0.758 1258 A CB 0.487 19.509 19.000 0.038 0.000 0.991 1258 A HN 0.538 nan 8.150 nan 0.000 0.502 1259 V N 2.965 122.883 119.914 0.008 0.000 3.473 1259 V HA 0.204 4.314 4.120 -0.016 0.000 0.253 1259 V C 1.945 178.013 176.094 -0.044 0.000 1.340 1259 V CA 1.695 63.989 62.300 -0.010 0.000 1.103 1259 V CB -0.437 31.393 31.823 0.011 0.000 0.881 1259 V HN 1.127 nan 8.190 nan 0.000 0.451 1260 G N 0.532 109.307 108.800 -0.042 0.000 2.599 1260 G HA2 -0.314 3.636 3.960 -0.016 0.000 0.219 1260 G HA3 -0.314 3.636 3.960 -0.016 0.000 0.219 1260 G C 1.248 176.101 174.900 -0.079 0.000 1.193 1260 G CA 1.736 46.817 45.100 -0.032 0.000 0.778 1260 G HN 0.622 nan 8.290 nan 0.000 0.589 1261 E N 0.328 120.389 120.200 -0.233 0.000 2.201 1261 E HA 0.031 4.371 4.350 -0.016 0.000 0.193 1261 E C -0.196 176.007 176.600 -0.662 0.000 0.957 1261 E CA 0.054 56.205 56.400 -0.415 0.000 0.858 1261 E CB -0.015 29.367 29.700 -0.530 0.000 0.816 1261 E HN 0.313 nan 8.360 nan 0.000 0.475 1262 P HA -0.147 nan 4.420 nan 0.000 0.217 1262 P C -1.729 175.493 177.300 -0.131 0.000 1.148 1262 P CA 1.702 64.476 63.100 -0.543 0.000 0.834 1262 P CB -0.789 30.776 31.700 -0.225 0.000 0.783 1263 P HA -0.007 nan 4.420 nan 0.000 0.231 1263 P C 1.590 178.979 177.300 0.149 0.000 1.168 1263 P CA 0.485 63.643 63.100 0.096 0.000 0.779 1263 P CB -0.382 31.381 31.700 0.105 0.000 0.844 1264 L N -1.074 120.193 121.223 0.075 0.000 2.043 1264 L HA -0.189 4.141 4.340 -0.016 0.000 0.212 1264 L C 2.254 179.209 176.870 0.142 0.000 1.075 1264 L CA 1.705 56.589 54.840 0.073 0.000 0.752 1264 L CB -0.778 41.292 42.059 0.019 0.000 0.891 1264 L HN -0.127 nan 8.230 nan 0.000 0.432 1265 F N 0.109 120.118 119.950 0.098 0.000 2.250 1265 F HA -0.224 4.294 4.527 -0.015 0.000 0.301 1265 F C 1.938 177.887 175.800 0.247 0.000 1.077 1265 F CA 1.420 59.547 58.000 0.211 0.000 1.348 1265 F CB -0.268 38.853 39.000 0.202 0.000 1.040 1265 F HN 0.022 nan 8.300 nan 0.000 0.509 1266 L N -0.233 121.053 121.223 0.105 0.000 2.187 1266 L HA -0.165 4.165 4.340 -0.016 0.000 0.213 1266 L C 2.737 179.643 176.870 0.062 0.000 1.100 1266 L CA 1.018 55.921 54.840 0.105 0.000 0.765 1266 L CB -1.641 40.607 42.059 0.314 0.000 0.904 1266 L HN 0.319 nan 8.230 nan 0.000 0.437 1267 G N 0.081 108.790 108.800 -0.152 0.000 2.532 1267 G HA2 -0.295 3.656 3.960 -0.016 0.000 0.222 1267 G HA3 -0.295 3.656 3.960 -0.016 0.000 0.222 1267 G C 1.703 176.521 174.900 -0.137 0.000 1.102 1267 G CA 0.869 45.656 45.100 -0.522 0.000 0.742 1267 G HN 0.508 nan 8.290 nan 0.000 0.577 1268 A N 1.172 123.879 122.820 -0.188 0.000 2.067 1268 A HA 0.055 4.366 4.320 -0.016 0.000 0.219 1268 A C 2.675 180.253 177.584 -0.011 0.000 1.158 1268 A CA 2.013 53.819 52.037 -0.386 0.000 0.661 1268 A CB -0.570 17.861 19.000 -0.948 0.000 0.801 1268 A HN 0.765 nan 8.150 nan 0.000 0.452 1269 S N -0.071 115.645 115.700 0.027 0.000 2.402 1269 S HA -0.168 4.293 4.470 -0.016 0.000 0.233 1269 S C 1.705 176.383 174.600 0.130 0.000 1.030 1269 S CA 1.597 59.885 58.200 0.146 0.000 1.003 1269 S CB -0.994 62.297 63.200 0.151 0.000 0.813 1269 S HN 0.283 nan 8.310 nan 0.000 0.477 1270 V N 1.026 120.986 119.914 0.076 0.000 2.343 1270 V HA -0.084 4.026 4.120 -0.016 0.000 0.247 1270 V C 2.100 178.173 176.094 -0.035 0.000 1.051 1270 V CA 2.019 64.334 62.300 0.025 0.000 1.036 1270 V CB -1.105 30.717 31.823 -0.001 0.000 0.654 1270 V HN 0.575 nan 8.190 nan 0.000 0.451 1271 F N 0.553 120.381 119.950 -0.204 0.000 2.095 1271 F HA -0.209 4.310 4.527 -0.013 0.000 0.298 1271 F C 2.004 177.566 175.800 -0.397 0.000 1.104 1271 F CA 1.876 59.662 58.000 -0.356 0.000 1.232 1271 F CB -0.306 38.359 39.000 -0.558 0.000 0.987 1271 F HN 0.141 nan 8.300 nan 0.000 0.475 1272 F N -0.057 119.966 119.950 0.122 0.000 2.456 1272 F HA 0.050 4.565 4.527 -0.019 0.000 0.298 1272 F C 2.405 178.183 175.800 -0.038 0.000 1.104 1272 F CA 0.616 58.638 58.000 0.037 0.000 1.435 1272 F CB -0.894 38.147 39.000 0.069 0.000 1.078 1272 F HN 0.064 nan 8.300 nan 0.000 0.546 1273 A N 0.554 123.422 122.820 0.080 0.000 1.898 1273 A HA -0.102 4.208 4.320 -0.016 0.000 0.216 1273 A C 2.164 179.714 177.584 -0.057 0.000 1.181 1273 A CA 1.277 53.329 52.037 0.025 0.000 0.620 1273 A CB -0.929 18.082 19.000 0.018 0.000 0.819 1273 A HN 0.357 nan 8.150 nan 0.000 0.442 1274 I N -0.471 119.996 120.570 -0.172 0.000 2.163 1274 I HA -0.287 3.873 4.170 -0.016 0.000 0.243 1274 I C 2.567 178.576 176.117 -0.179 0.000 1.085 1274 I CA 1.831 62.984 61.300 -0.245 0.000 1.347 1274 I CB -0.200 37.544 38.000 -0.427 0.000 1.044 1274 I HN 0.319 nan 8.210 nan 0.000 0.408 1275 K N 0.548 120.815 120.400 -0.222 0.000 2.097 1275 K HA -0.255 4.055 4.320 -0.016 0.000 0.206 1275 K C 1.766 178.425 176.600 0.098 0.000 1.049 1275 K CA 1.953 58.208 56.287 -0.055 0.000 0.933 1275 K CB -0.122 32.315 32.500 -0.105 0.000 0.717 1275 K HN 0.187 nan 8.250 nan 0.000 0.442 1276 D N -0.005 120.438 120.400 0.073 0.000 2.123 1276 D HA -0.149 4.481 4.640 -0.016 0.000 0.196 1276 D C 1.616 177.958 176.300 0.070 0.000 0.992 1276 D CA 1.504 55.556 54.000 0.086 0.000 0.833 1276 D CB 0.017 40.861 40.800 0.074 0.000 0.954 1276 D HN 0.306 nan 8.370 nan 0.000 0.455 1277 A N -0.040 122.800 122.820 0.034 0.000 1.898 1277 A HA -0.095 4.216 4.320 -0.016 0.000 0.216 1277 A C 2.373 179.983 177.584 0.043 0.000 1.181 1277 A CA 1.085 53.140 52.037 0.031 0.000 0.620 1277 A CB -0.771 18.230 19.000 0.003 0.000 0.819 1277 A HN 0.355 nan 8.150 nan 0.000 0.442 1278 I N -0.798 119.800 120.570 0.047 0.000 2.264 1278 I HA -0.289 3.871 4.170 -0.016 0.000 0.248 1278 I C 2.740 178.869 176.117 0.021 0.000 1.111 1278 I CA 1.322 62.636 61.300 0.024 0.000 1.382 1278 I CB -0.299 37.724 38.000 0.038 0.000 1.060 1278 I HN 0.282 nan 8.210 nan 0.000 0.418 1279 R N 0.476 121.056 120.500 0.134 0.000 2.092 1279 R HA -0.082 4.248 4.340 -0.016 0.000 0.231 1279 R C 2.447 178.787 176.300 0.066 0.000 1.119 1279 R CA 1.341 57.531 56.100 0.151 0.000 0.970 1279 R CB -0.323 30.110 30.300 0.221 0.000 0.864 1279 R HN 0.376 nan 8.270 nan 0.000 0.440 1280 A N 1.045 123.897 122.820 0.052 0.000 1.898 1280 A HA -0.058 4.252 4.320 -0.016 0.000 0.216 1280 A C 2.327 179.908 177.584 -0.005 0.000 1.181 1280 A CA 1.505 53.556 52.037 0.024 0.000 0.620 1280 A CB -0.492 18.529 19.000 0.035 0.000 0.819 1280 A HN 0.373 nan 8.150 nan 0.000 0.442 1281 A N -0.154 122.673 122.820 0.012 0.000 1.933 1281 A HA -0.168 4.142 4.320 -0.016 0.000 0.218 1281 A C 2.243 179.831 177.584 0.007 0.000 1.175 1281 A CA 1.591 53.643 52.037 0.025 0.000 0.628 1281 A CB -0.432 18.606 19.000 0.062 0.000 0.814 1281 A HN 0.547 nan 8.150 nan 0.000 0.444 1282 R N -0.688 119.795 120.500 -0.029 0.000 2.092 1282 R HA -0.007 4.324 4.340 -0.016 0.000 0.231 1282 R C 2.461 178.744 176.300 -0.028 0.000 1.119 1282 R CA 1.071 57.144 56.100 -0.046 0.000 0.970 1282 R CB -0.403 29.826 30.300 -0.119 0.000 0.864 1282 R HN 0.505 nan 8.270 nan 0.000 0.440 1283 A N 0.792 123.595 122.820 -0.027 0.000 1.933 1283 A HA -0.249 4.061 4.320 -0.016 0.000 0.218 1283 A C 2.081 179.606 177.584 -0.098 0.000 1.175 1283 A CA 1.434 53.447 52.037 -0.039 0.000 0.628 1283 A CB -0.383 18.603 19.000 -0.024 0.000 0.814 1283 A HN 0.254 nan 8.150 nan 0.000 0.444 1284 Q N -0.927 118.776 119.800 -0.161 0.000 1.993 1284 Q HA -0.185 4.146 4.340 -0.016 0.000 0.202 1284 Q C 1.717 177.473 176.000 -0.407 0.000 0.984 1284 Q CA 2.169 57.761 55.803 -0.352 0.000 0.837 1284 Q CB -0.191 28.237 28.738 -0.516 0.000 0.902 1284 Q HN 0.759 nan 8.270 nan 0.000 0.423 1285 H N -1.988 117.020 119.070 -0.104 0.000 2.874 1285 H HA 0.194 4.747 4.556 -0.005 0.000 0.264 1285 H C 1.436 176.735 175.328 -0.048 0.000 1.007 1285 H CA 1.136 57.131 56.048 -0.088 0.000 1.207 1285 H CB 0.717 30.439 29.762 -0.067 0.000 1.487 1285 H HN 0.463 nan 8.280 nan 0.000 0.505 1286 T N -0.260 114.328 114.554 0.056 0.000 3.082 1286 T HA 0.049 4.389 4.350 -0.016 0.000 0.235 1286 T C 0.824 175.532 174.700 0.013 0.000 0.991 1286 T CA 0.385 62.503 62.100 0.031 0.000 1.220 1286 T CB 0.484 69.359 68.868 0.011 0.000 0.909 1286 T HN 0.537 nan 8.240 nan 0.000 0.424 1287 N N -0.870 117.833 118.700 0.006 0.000 3.418 1287 N HA 0.281 5.012 4.740 -0.016 0.000 0.316 1287 N C -0.772 174.740 175.510 0.003 0.000 1.601 1287 N CA -0.894 52.161 53.050 0.008 0.000 0.805 1287 N CB 0.636 39.135 38.487 0.019 0.000 1.873 1287 N HN 0.069 nan 8.380 nan 0.000 0.615 1288 N N -0.545 118.160 118.700 0.009 0.000 2.200 1288 N HA 0.021 4.752 4.740 -0.016 0.000 0.224 1288 N C -0.832 174.690 175.510 0.020 0.000 1.179 1288 N CA 0.008 53.063 53.050 0.007 0.000 0.877 1288 N CB -0.047 38.441 38.487 0.002 0.000 1.072 1288 N HN 0.464 nan 8.380 nan 0.000 0.519 1289 N N 1.775 120.494 118.700 0.031 0.000 2.663 1289 N HA 0.026 4.757 4.740 -0.016 0.000 0.250 1289 N C 1.317 176.861 175.510 0.058 0.000 1.129 1289 N CA 0.012 53.089 53.050 0.045 0.000 0.995 1289 N CB 0.462 38.981 38.487 0.053 0.000 1.324 1289 N HN 0.098 nan 8.380 nan 0.000 0.512 1290 T N 0.621 115.206 114.554 0.051 0.000 2.720 1290 T HA -0.171 4.169 4.350 -0.016 0.000 0.268 1290 T C 1.148 175.896 174.700 0.078 0.000 1.037 1290 T CA 1.215 63.351 62.100 0.060 0.000 1.144 1290 T CB -0.157 68.740 68.868 0.048 0.000 0.864 1290 T HN 0.361 nan 8.240 nan 0.000 0.444 1291 K N 1.913 122.358 120.400 0.076 0.000 2.630 1291 K HA 0.171 4.482 4.320 -0.016 0.000 0.204 1291 K C 0.596 177.257 176.600 0.101 0.000 1.024 1291 K CA -0.090 56.249 56.287 0.086 0.000 1.157 1291 K CB 0.049 32.596 32.500 0.079 0.000 0.899 1291 K HN 0.573 nan 8.250 nan 0.000 0.501 1292 E N 1.533 121.804 120.200 0.118 0.000 2.313 1292 E HA 0.115 4.456 4.350 -0.016 0.000 0.276 1292 E C -0.913 175.797 176.600 0.182 0.000 1.031 1292 E CA -0.343 56.145 56.400 0.146 0.000 0.857 1292 E CB 0.656 30.448 29.700 0.153 0.000 1.040 1292 E HN 0.142 nan 8.360 nan 0.000 0.408 1293 L N 6.050 127.372 121.223 0.165 0.000 2.282 1293 L HA 0.441 4.771 4.340 -0.016 0.000 0.288 1293 L C -0.289 176.704 176.870 0.205 0.000 1.033 1293 L CA -0.926 53.992 54.840 0.129 0.000 0.807 1293 L CB 0.394 42.515 42.059 0.103 0.000 1.209 1293 L HN 0.447 nan 8.230 nan 0.000 0.423 1294 F N 0.301 120.314 119.950 0.105 0.000 2.579 1294 F HA 0.688 5.203 4.527 -0.020 0.000 0.324 1294 F C -0.144 175.735 175.800 0.132 0.000 1.058 1294 F CA -1.368 56.694 58.000 0.104 0.000 0.944 1294 F CB 1.248 40.299 39.000 0.084 0.000 1.245 1294 F HN 0.326 nan 8.300 nan 0.000 0.477 1295 R N 2.731 123.376 120.500 0.241 0.000 2.216 1295 R HA 0.544 4.874 4.340 -0.016 0.000 0.332 1295 R C -1.797 174.662 176.300 0.264 0.000 1.056 1295 R CA -0.598 55.612 56.100 0.184 0.000 0.901 1295 R CB 0.685 31.110 30.300 0.208 0.000 1.039 1295 R HN 0.840 nan 8.270 nan 0.000 0.456 1296 L N 5.131 126.469 121.223 0.193 0.000 2.319 1296 L HA 0.393 4.723 4.340 -0.016 0.000 0.281 1296 L C -1.088 176.029 176.870 0.411 0.000 1.005 1296 L CA -0.364 54.657 54.840 0.302 0.000 0.828 1296 L CB 1.451 43.655 42.059 0.243 0.000 1.227 1296 L HN 0.673 nan 8.230 nan 0.000 0.415 1297 D N 1.786 122.414 120.400 0.380 0.000 2.348 1297 D HA 0.262 4.892 4.640 -0.016 0.000 0.249 1297 D C -0.480 176.066 176.300 0.410 0.000 1.110 1297 D CA -0.090 54.154 54.000 0.406 0.000 0.967 1297 D CB 1.805 42.829 40.800 0.372 0.000 1.139 1297 D HN 0.427 nan 8.370 nan 0.000 0.466 1298 S N 0.429 116.273 115.700 0.240 0.000 2.541 1298 S HA 0.500 4.961 4.470 -0.016 0.000 0.283 1298 S C -2.598 172.060 174.600 0.097 0.000 1.196 1298 S CA -1.444 56.781 58.200 0.041 0.000 1.062 1298 S CB 1.000 63.870 63.200 -0.551 0.000 1.009 1298 S HN 0.155 nan 8.310 nan 0.000 0.502 1299 P HA 0.258 nan 4.420 nan 0.000 0.284 1299 P C -1.180 176.223 177.300 0.172 0.000 1.253 1299 P CA -0.530 62.632 63.100 0.104 0.000 0.800 1299 P CB 0.810 32.521 31.700 0.019 0.000 0.961 1300 A N 2.884 125.838 122.820 0.222 0.000 2.981 1300 A HA 0.302 4.612 4.320 -0.016 0.000 0.280 1300 A C 0.969 178.570 177.584 0.028 0.000 1.797 1300 A CA -0.076 52.014 52.037 0.088 0.000 1.456 1300 A CB -1.547 17.386 19.000 -0.112 0.000 1.057 1300 A HN 0.605 nan 8.150 nan 0.000 0.602 1301 T N -0.403 114.176 114.554 0.041 0.000 2.766 1301 T HA 0.311 4.652 4.350 -0.016 0.000 0.295 1301 T C -1.617 173.094 174.700 0.019 0.000 1.024 1301 T CA -1.262 60.850 62.100 0.021 0.000 1.018 1301 T CB 0.360 69.235 68.868 0.011 0.000 1.002 1301 T HN 0.202 nan 8.240 nan 0.000 0.532 1302 P HA -0.155 nan 4.420 nan 0.000 0.216 1302 P C 1.513 178.816 177.300 0.005 0.000 1.150 1302 P CA 1.278 64.388 63.100 0.016 0.000 0.843 1302 P CB 0.033 31.735 31.700 0.003 0.000 0.787 1303 E N 0.434 120.633 120.200 -0.001 0.000 2.058 1303 E HA -0.240 4.100 4.350 -0.016 0.000 0.194 1303 E C 1.741 178.350 176.600 0.016 0.000 0.997 1303 E CA 1.408 57.808 56.400 -0.000 0.000 0.801 1303 E CB -0.228 29.466 29.700 -0.010 0.000 0.746 1303 E HN 0.160 nan 8.360 nan 0.000 0.450 1304 K N 0.069 120.487 120.400 0.030 0.000 2.148 1304 K HA -0.072 4.239 4.320 -0.016 0.000 0.204 1304 K C 2.270 178.892 176.600 0.036 0.000 1.050 1304 K CA 1.143 57.460 56.287 0.051 0.000 0.942 1304 K CB -0.056 32.493 32.500 0.082 0.000 0.724 1304 K HN 0.284 nan 8.250 nan 0.000 0.446 1305 I N 0.529 121.106 120.570 0.011 0.000 2.163 1305 I HA -0.258 3.903 4.170 -0.016 0.000 0.240 1305 I C 2.590 178.707 176.117 -0.000 0.000 1.081 1305 I CA 0.998 62.294 61.300 -0.007 0.000 1.353 1305 I CB -0.209 37.780 38.000 -0.020 0.000 1.054 1305 I HN 0.049 nan 8.210 nan 0.000 0.407 1306 R N 1.691 122.195 120.500 0.008 0.000 2.073 1306 R HA -0.157 4.173 4.340 -0.016 0.000 0.234 1306 R C 1.981 178.288 176.300 0.011 0.000 1.134 1306 R CA 1.835 57.941 56.100 0.011 0.000 0.952 1306 R CB -0.505 29.796 30.300 0.002 0.000 0.850 1306 R HN 0.277 nan 8.270 nan 0.000 0.433 1307 N N 0.169 118.876 118.700 0.011 0.000 2.244 1307 N HA -0.083 4.647 4.740 -0.016 0.000 0.183 1307 N C 1.299 176.806 175.510 -0.006 0.000 1.016 1307 N CA 1.507 54.564 53.050 0.013 0.000 0.866 1307 N CB -0.333 38.167 38.487 0.023 0.000 0.980 1307 N HN 0.394 nan 8.380 nan 0.000 0.430 1308 A N -0.281 122.523 122.820 -0.027 0.000 2.119 1308 A HA -0.004 4.307 4.320 -0.016 0.000 0.217 1308 A C 1.116 178.596 177.584 -0.174 0.000 1.153 1308 A CA 0.292 52.256 52.037 -0.121 0.000 0.692 1308 A CB -0.292 18.630 19.000 -0.131 0.000 0.799 1308 A HN 0.337 nan 8.150 nan 0.000 0.458 1309 C N 1.776 121.033 119.300 -0.072 0.000 2.861 1309 C HA 0.375 4.826 4.460 -0.016 0.000 0.542 1309 C C 0.681 175.683 174.990 0.021 0.000 1.074 1309 C CA -1.090 57.916 59.018 -0.021 0.000 1.232 1309 C CB -2.227 25.540 27.740 0.046 0.000 1.433 1309 C HN 0.310 nan 8.230 nan 0.000 0.606 1310 V N 4.363 124.268 119.914 -0.014 0.000 2.509 1310 V HA 0.148 4.259 4.120 -0.016 0.000 0.297 1310 V C 0.337 176.459 176.094 0.047 0.000 1.014 1310 V CA 1.120 63.427 62.300 0.012 0.000 1.127 1310 V CB -0.146 31.670 31.823 -0.012 0.000 0.925 1310 V HN 0.878 nan 8.190 nan 0.000 0.480 1311 D N 3.169 123.599 120.400 0.050 0.000 2.921 1311 D HA 0.223 4.853 4.640 -0.016 0.000 0.329 1311 D C 0.660 176.934 176.300 -0.045 0.000 1.293 1311 D CA -0.506 53.511 54.000 0.029 0.000 0.964 1311 D CB 0.713 41.543 40.800 0.050 0.000 1.435 1311 D HN 0.323 nan 8.370 nan 0.000 0.548 1312 K N -0.511 119.780 120.400 -0.181 0.000 2.360 1312 K HA -0.023 4.287 4.320 -0.016 0.000 0.201 1312 K C 0.984 177.310 176.600 -0.457 0.000 1.046 1312 K CA 1.196 57.270 56.287 -0.354 0.000 0.945 1312 K CB -0.511 31.732 32.500 -0.429 0.000 0.750 1312 K HN 0.298 nan 8.250 nan 0.000 0.464 1313 F N 1.907 121.844 119.950 -0.022 0.000 2.317 1313 F HA -0.014 4.502 4.527 -0.019 0.000 0.290 1313 F C 2.900 178.683 175.800 -0.028 0.000 1.075 1313 F CA 0.974 58.948 58.000 -0.043 0.000 1.380 1313 F CB -0.674 38.275 39.000 -0.085 0.000 1.093 1313 F HN 0.122 nan 8.300 nan 0.000 0.524 1314 T N -2.264 112.372 114.554 0.137 0.000 2.867 1314 T HA -0.160 4.180 4.350 -0.016 0.000 0.268 1314 T C 1.827 176.551 174.700 0.041 0.000 1.057 1314 T CA 1.730 63.876 62.100 0.076 0.000 1.136 1314 T CB -1.013 67.889 68.868 0.057 0.000 0.874 1314 T HN 0.351 nan 8.240 nan 0.000 0.466 1315 T N -0.343 114.222 114.554 0.019 0.000 3.065 1315 T HA 0.315 4.656 4.350 -0.016 0.000 0.252 1315 T C 1.377 176.073 174.700 -0.006 0.000 1.099 1315 T CA 0.404 62.505 62.100 0.002 0.000 1.063 1315 T CB -0.710 68.151 68.868 -0.012 0.000 0.948 1315 T HN 0.543 nan 8.240 nan 0.000 0.506 1316 L N -0.912 120.306 121.223 -0.009 0.000 4.884 1316 L HA -0.278 4.053 4.340 -0.016 0.000 0.430 1316 L C 1.956 178.801 176.870 -0.042 0.000 1.087 1316 L CA 0.229 55.060 54.840 -0.014 0.000 1.033 1316 L CB -2.976 39.086 42.059 0.004 0.000 2.030 1316 L HN 0.376 nan 8.230 nan 0.000 0.762 1317 C N -0.703 118.559 119.300 -0.063 0.000 2.391 1317 C HA -0.207 4.243 4.460 -0.016 0.000 0.276 1317 C C 2.621 177.555 174.990 -0.094 0.000 1.217 1317 C CA 1.311 60.286 59.018 -0.071 0.000 1.766 1317 C CB -0.678 27.018 27.740 -0.073 0.000 2.046 1317 C HN 0.650 nan 8.230 nan 0.000 0.475 1318 V N 1.543 121.359 119.914 -0.163 0.000 2.660 1318 V HA -0.211 3.900 4.120 -0.016 0.000 0.257 1318 V C 2.561 178.615 176.094 -0.067 0.000 1.088 1318 V CA 2.610 64.810 62.300 -0.168 0.000 1.106 1318 V CB -0.601 31.025 31.823 -0.328 0.000 0.686 1318 V HN 0.865 nan 8.190 nan 0.000 0.481 1319 T N -3.658 110.872 114.554 -0.041 0.000 3.100 1319 T HA 0.333 4.673 4.350 -0.016 0.000 0.253 1319 T C 1.467 176.158 174.700 -0.014 0.000 1.118 1319 T CA 1.171 63.263 62.100 -0.014 0.000 1.058 1319 T CB 0.669 69.536 68.868 -0.002 0.000 0.953 1319 T HN 1.129 nan 8.240 nan 0.000 0.515 1320 G N 0.814 109.601 108.800 -0.022 0.000 2.284 1320 G HA2 0.059 4.010 3.960 -0.016 0.000 0.201 1320 G HA3 0.059 4.010 3.960 -0.016 0.000 0.201 1320 G C 0.359 175.251 174.900 -0.014 0.000 0.998 1320 G CA -0.182 44.908 45.100 -0.016 0.000 0.651 1320 G HN 1.076 nan 8.290 nan 0.000 0.489 1321 A N 1.429 124.241 122.820 -0.015 0.000 2.386 1321 A HA 0.669 4.980 4.320 -0.016 0.000 0.248 1321 A C -1.609 175.967 177.584 -0.013 0.000 1.082 1321 A CA -0.384 51.647 52.037 -0.011 0.000 0.789 1321 A CB -0.030 18.965 19.000 -0.008 0.000 1.025 1321 A HN 0.228 nan 8.150 nan 0.000 0.490 1322 P HA 0.507 nan 4.420 nan 0.000 0.275 1322 P C 0.247 177.543 177.300 -0.007 0.000 1.227 1322 P CA 0.238 63.333 63.100 -0.008 0.000 0.781 1322 P CB 1.323 33.021 31.700 -0.004 0.000 0.906 1323 G N 1.449 110.245 108.800 -0.008 0.000 2.706 1323 G HA2 0.545 4.496 3.960 -0.016 0.000 0.307 1323 G HA3 0.545 4.496 3.960 -0.016 0.000 0.307 1323 G C -1.663 173.236 174.900 -0.002 0.000 1.307 1323 G CA -0.900 44.197 45.100 -0.005 0.000 0.790 1323 G HN 0.547 nan 8.290 nan 0.000 0.503 1324 N N -0.421 118.280 118.700 0.002 0.000 2.716 1324 N HA 0.293 5.024 4.740 -0.016 0.000 0.245 1324 N C 0.427 175.942 175.510 0.009 0.000 1.495 1324 N CA -0.231 52.823 53.050 0.006 0.000 0.759 1324 N CB -0.362 38.131 38.487 0.011 0.000 1.261 1324 N HN 0.895 nan 8.380 nan 0.000 0.515 1325 C N 0.000 119.305 119.300 0.009 0.000 2.653 1325 C HA 0.000 4.450 4.460 -0.016 0.000 0.325 1325 C CA 0.000 59.025 59.018 0.011 0.000 1.963 1325 C CB 0.000 27.750 27.740 0.016 0.000 2.134 1325 C HN 0.000 nan 8.230 nan 0.000 0.568