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 3hz3_1_A DATA FIRST_RESID 746 DATA SEQUENCE QYYIDPTTGQ PRKNFLLQNG NDWIYFDKDT GAGTNALKLQ FDKGTISADE DATA SEQUENCE QYRRGNEAYS YDDKSIENVN GYLTADTWYR PKQILKDGTT WTDSKETDMR DATA SEQUENCE PILMVWWPNT VTQAYYLNYM KQYGNLLPAS LPSFSTDADS AELNHYSELV DATA SEQUENCE QQNIEKRISE TGSTDWLRTL MHEFVTKNSM WNKDSENVDY GGLQLQGGFL DATA SEQUENCE KYVNSDLTKY ANSDWRLMNR TATNIDGKNY GGAEFLLAND IDNSNPVVQA DATA SEQUENCE EELNWLYYLM NFGTITGNNP EANFDGIRVN AVDNVDVDLL SIARDYFNAA DATA SEQUENCE YNMEQSDASA NKHINILEDW GWDDPAYVNK IGNPQLTMDD RLRNAIMDTL DATA SEQUENCE SGAPDKNQAL NKLITQSLVN RANDNTENAV IPSYNFVRAH DSNAQDQIRQ DATA SEQUENCE AIQAATGKPY GEFNLDDEKK GMEAYINDQN STNKKWNLYN MPSAYTILLT DATA SEQUENCE NKDSVPRVYY GDLYQDGGQY MEHKTRYFDT ITNLLKTRVK YVAGGQTMSV DATA SEQUENCE DKNGILTNVR FGKGAMNATD TGTDETRTEG IGVVISNNTN LKLNDGESVV DATA SEQUENCE LHMGAAHKNQ KYRAVILTTE DGVKNYTNDT DAPVAYTDAN GDLHFTNTNL DATA SEQUENCE DGQQYTAVRG YANPDVTGYL AVWVPAGAAD DQDARTAPSD EAHTTKTAYR DATA SEQUENCE SNAALDSNVI YEGFSNFIYW PTTESERTNV RIAQNADLFK SWGITTFELA DATA SEQUENCE PQYNSSKDGT FLDSIIDNGY AFTDRYDLGM STPNKYGSDE DLRNALQALH DATA SEQUENCE KAGLQAIADW VPDQIYNLPG KEAVTVTRSD DHGTTWEVSP IKNVVYITNT DATA SEQUENCE IGGGEYQKKY GGEFLDTLQK EYPQLFSQVY PVTQTTIDPS VKIKEWSAKY DATA SEQUENCE FNGTNILHRG AGYVLRSNDG KYYNLGTSTQ QFLPSQLSVQ DNEGYGFVKE DATA SEQUENCE GNNYHYYDEN KQMVKDAFIQ DSVGNWYYLD KNGNMVANQS PVEISSXXXS DATA SEQUENCE GTYLFLNNGT SFRSGLVKTD AGTYYYDGDG RMVRNQTVSD GAMTYVLDEN DATA SEQUENCE GKLVSE 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 746 Q HA 0.000 nan 4.340 nan 0.000 0.214 746 Q C 0.000 175.931 176.000 -0.115 0.000 1.003 746 Q CA 0.000 55.796 55.803 -0.012 0.000 1.022 746 Q CB 0.000 28.632 28.738 -0.176 0.000 1.108 747 Y N 0.342 120.862 120.300 0.366 0.000 2.499 747 Y HA 0.552 4.962 4.550 -0.233 0.000 0.347 747 Y C -1.234 174.712 175.900 0.076 0.000 0.987 747 Y CA -1.335 56.942 58.100 0.295 0.000 1.044 747 Y CB 1.593 40.134 38.460 0.134 0.000 1.245 747 Y HN 0.159 nan 8.280 nan 0.000 0.461 748 Y N 5.023 125.111 120.300 -0.353 0.000 2.854 748 Y HA 0.502 4.912 4.550 -0.233 0.000 0.330 748 Y C -0.493 175.267 175.900 -0.233 0.000 1.037 748 Y CA -1.324 56.486 58.100 -0.484 0.000 1.263 748 Y CB 0.044 37.861 38.460 -1.071 0.000 1.120 748 Y HN 0.559 nan 8.280 nan 0.000 0.532 749 I N 0.859 121.321 120.570 -0.181 0.000 2.677 749 I HA 0.440 4.470 4.170 -0.233 0.000 0.305 749 I C -0.491 175.480 176.117 -0.242 0.000 0.988 749 I CA -0.468 60.752 61.300 -0.133 0.000 1.260 749 I CB 1.178 39.128 38.000 -0.083 0.000 1.410 749 I HN 0.408 nan 8.210 nan 0.000 0.523 750 D N 5.597 125.921 120.400 -0.127 0.000 2.359 750 D HA 0.381 4.881 4.640 -0.233 0.000 0.230 750 D C -1.720 174.522 176.300 -0.097 0.000 1.118 750 D CA -2.470 51.461 54.000 -0.115 0.000 0.844 750 D CB 1.356 42.130 40.800 -0.042 0.000 1.059 750 D HN 0.379 nan 8.370 nan 0.000 0.493 751 P HA -0.150 nan 4.420 nan 0.000 0.220 751 P C 1.132 178.398 177.300 -0.056 0.000 1.148 751 P CA 1.113 64.165 63.100 -0.081 0.000 0.803 751 P CB 0.024 31.675 31.700 -0.083 0.000 0.782 752 T N -1.796 112.728 114.554 -0.049 0.000 2.698 752 T HA -0.103 4.107 4.350 -0.233 0.000 0.260 752 T C 1.893 176.572 174.700 -0.035 0.000 1.044 752 T CA 2.269 64.347 62.100 -0.037 0.000 1.149 752 T CB -1.876 66.974 68.868 -0.030 0.000 0.864 752 T HN 0.203 nan 8.240 nan 0.000 0.419 753 T N -1.679 112.853 114.554 -0.036 0.000 3.129 753 T HA 0.420 4.630 4.350 -0.233 0.000 0.251 753 T C 1.910 176.588 174.700 -0.037 0.000 1.117 753 T CA 0.625 62.704 62.100 -0.034 0.000 1.034 753 T CB -0.678 68.171 68.868 -0.032 0.000 0.968 753 T HN 1.024 nan 8.240 nan 0.000 0.526 754 G N 1.524 110.298 108.800 -0.043 0.000 2.186 754 G HA2 -0.264 3.556 3.960 -0.233 0.000 0.266 754 G HA3 -0.264 3.556 3.960 -0.233 0.000 0.266 754 G C -0.003 174.870 174.900 -0.044 0.000 0.982 754 G CA 0.264 45.336 45.100 -0.046 0.000 0.670 754 G HN 0.663 nan 8.290 nan 0.000 0.533 755 Q N 0.709 120.486 119.800 -0.038 0.000 2.261 755 Q HA 0.408 4.608 4.340 -0.233 0.000 0.252 755 Q C -2.265 173.722 176.000 -0.023 0.000 0.915 755 Q CA -1.705 54.082 55.803 -0.027 0.000 0.915 755 Q CB 1.772 30.499 28.738 -0.019 0.000 1.204 755 Q HN 0.349 nan 8.270 nan 0.000 0.421 756 P HA 0.255 nan 4.420 nan 0.000 0.281 756 P C -0.663 176.658 177.300 0.034 0.000 1.249 756 P CA -0.437 62.673 63.100 0.016 0.000 0.810 756 P CB 1.058 32.775 31.700 0.028 0.000 1.008 757 R N 1.782 122.305 120.500 0.037 0.000 2.229 757 R HA 0.345 4.546 4.340 -0.233 0.000 0.328 757 R C 0.199 176.572 176.300 0.121 0.000 1.009 757 R CA -0.516 55.585 56.100 0.002 0.000 0.864 757 R CB 1.091 31.223 30.300 -0.280 0.000 1.085 757 R HN 0.446 nan 8.270 nan 0.000 0.453 758 K N 1.664 122.158 120.400 0.156 0.000 2.208 758 K HA 0.221 4.402 4.320 -0.233 0.000 0.247 758 K C -0.140 176.605 176.600 0.242 0.000 0.953 758 K CA -1.095 55.306 56.287 0.190 0.000 0.837 758 K CB 1.139 33.728 32.500 0.148 0.000 1.131 758 K HN 0.434 nan 8.250 nan 0.000 0.431 759 N N 1.227 120.057 118.700 0.216 0.000 2.671 759 N HA -0.238 4.362 4.740 -0.233 0.000 0.261 759 N C -1.827 174.061 175.510 0.630 0.000 1.053 759 N CA 0.396 53.666 53.050 0.367 0.000 0.732 759 N CB -0.852 37.797 38.487 0.271 0.000 0.887 759 N HN 0.560 nan 8.380 nan 0.000 0.546 760 F N 1.483 121.650 119.950 0.362 0.000 2.557 760 F HA 0.584 4.971 4.527 -0.233 0.000 0.316 760 F C -1.455 174.568 175.800 0.371 0.000 1.141 760 F CA -1.397 56.822 58.000 0.364 0.000 0.922 760 F CB 0.955 40.042 39.000 0.146 0.000 1.194 760 F HN 0.093 nan 8.300 nan 0.000 0.443 761 L N 7.820 128.917 121.223 -0.211 0.000 2.280 761 L HA 0.690 4.890 4.340 -0.233 0.000 0.287 761 L C -1.846 174.682 176.870 -0.570 0.000 1.023 761 L CA -0.588 54.080 54.840 -0.286 0.000 0.819 761 L CB 1.183 43.048 42.059 -0.323 0.000 1.212 761 L HN 0.691 nan 8.230 nan 0.000 0.420 762 L N 4.428 125.381 121.223 -0.449 0.000 2.341 762 L HA 0.519 4.719 4.340 -0.233 0.000 0.278 762 L C -0.554 176.165 176.870 -0.253 0.000 1.005 762 L CA -0.094 54.489 54.840 -0.429 0.000 0.818 762 L CB 1.725 43.569 42.059 -0.359 0.000 1.259 762 L HN 0.766 nan 8.230 nan 0.000 0.418 763 Q N 3.382 122.917 119.800 -0.442 0.000 2.294 763 Q HA 0.266 4.466 4.340 -0.233 0.000 0.257 763 Q C -0.919 174.826 176.000 -0.426 0.000 0.955 763 Q CA -0.090 55.208 55.803 -0.842 0.000 0.936 763 Q CB 0.692 28.708 28.738 -1.204 0.000 1.188 763 Q HN 0.713 nan 8.270 nan 0.000 0.420 764 N N 3.496 121.966 118.700 -0.383 0.000 2.841 764 N HA 0.310 4.910 4.740 -0.233 0.000 0.257 764 N C 0.025 175.421 175.510 -0.191 0.000 1.396 764 N CA 0.816 53.755 53.050 -0.186 0.000 0.823 764 N CB 0.624 39.067 38.487 -0.074 0.000 1.162 764 N HN 0.901 nan 8.380 nan 0.000 0.503 765 G N 2.709 111.391 108.800 -0.197 0.000 2.557 765 G HA2 -0.415 3.405 3.960 -0.233 0.000 0.292 765 G HA3 -0.415 3.405 3.960 -0.233 0.000 0.292 765 G C 0.777 175.567 174.900 -0.183 0.000 1.162 765 G CA 0.501 45.514 45.100 -0.146 0.000 0.964 765 G HN 0.539 nan 8.290 nan 0.000 0.541 766 N N 2.115 120.749 118.700 -0.109 0.000 2.422 766 N HA 0.244 4.844 4.740 -0.233 0.000 0.181 766 N C -0.274 175.199 175.510 -0.062 0.000 1.080 766 N CA 0.811 53.828 53.050 -0.056 0.000 0.893 766 N CB 0.196 38.686 38.487 0.006 0.000 0.973 766 N HN 0.468 nan 8.380 nan 0.000 0.456 767 D N -0.676 119.641 120.400 -0.137 0.000 2.256 767 D HA 0.190 4.690 4.640 -0.233 0.000 0.250 767 D C -0.745 175.411 176.300 -0.240 0.000 1.093 767 D CA -0.072 53.874 54.000 -0.089 0.000 0.882 767 D CB 0.566 41.331 40.800 -0.059 0.000 1.185 767 D HN 0.067 nan 8.370 nan 0.000 0.437 768 W N 1.915 123.185 121.300 -0.050 0.000 2.532 768 W HA 0.530 5.050 4.660 -0.233 0.000 0.321 768 W C -0.409 176.044 176.519 -0.110 0.000 1.037 768 W CA -0.626 56.671 57.345 -0.080 0.000 1.220 768 W CB 0.900 30.311 29.460 -0.083 0.000 1.361 768 W HN 0.080 nan 8.180 nan 0.000 0.468 769 I N 3.741 124.334 120.570 0.038 0.000 2.436 769 I HA 0.230 4.260 4.170 -0.233 0.000 0.289 769 I C -1.068 174.924 176.117 -0.210 0.000 1.010 769 I CA -1.299 59.901 61.300 -0.166 0.000 1.098 769 I CB 1.394 39.190 38.000 -0.340 0.000 1.266 769 I HN 0.283 nan 8.210 nan 0.000 0.434 770 Y N 7.287 127.393 120.300 -0.323 0.000 2.331 770 Y HA 0.553 4.964 4.550 -0.233 0.000 0.338 770 Y C -1.311 174.426 175.900 -0.270 0.000 0.976 770 Y CA -1.090 56.885 58.100 -0.208 0.000 1.137 770 Y CB 0.725 39.135 38.460 -0.083 0.000 1.172 770 Y HN 0.315 nan 8.280 nan 0.000 0.478 771 F N 5.732 125.384 119.950 -0.496 0.000 2.411 771 F HA 0.223 4.610 4.527 -0.233 0.000 0.355 771 F C 0.437 175.809 175.800 -0.714 0.000 1.117 771 F CA -0.807 56.966 58.000 -0.379 0.000 1.139 771 F CB 0.515 39.515 39.000 0.000 0.000 1.120 771 F HN 0.580 nan 8.300 nan 0.000 0.493 772 D N 2.726 122.910 120.400 -0.361 0.000 2.377 772 D HA 0.096 4.596 4.640 -0.233 0.000 0.245 772 D C 0.770 177.075 176.300 0.009 0.000 1.196 772 D CA -0.461 53.374 54.000 -0.276 0.000 0.962 772 D CB 0.813 41.620 40.800 0.012 0.000 1.127 772 D HN 0.502 nan 8.370 nan 0.000 0.471 773 K N 0.155 120.635 120.400 0.134 0.000 2.009 773 K HA -0.165 4.016 4.320 -0.233 0.000 0.210 773 K C 1.188 177.860 176.600 0.120 0.000 1.049 773 K CA 1.779 58.155 56.287 0.148 0.000 0.929 773 K CB -0.199 32.396 32.500 0.158 0.000 0.714 773 K HN 0.430 nan 8.250 nan 0.000 0.440 774 D N -0.377 120.091 120.400 0.114 0.000 2.162 774 D HA -0.075 4.426 4.640 -0.233 0.000 0.205 774 D C 1.883 178.248 176.300 0.109 0.000 0.964 774 D CA 1.729 55.789 54.000 0.101 0.000 0.847 774 D CB 0.030 40.884 40.800 0.090 0.000 0.988 774 D HN 0.393 nan 8.370 nan 0.000 0.480 775 T N -4.753 109.885 114.554 0.140 0.000 2.975 775 T HA 0.389 4.600 4.350 -0.233 0.000 0.261 775 T C 1.567 176.432 174.700 0.275 0.000 0.984 775 T CA 0.486 62.696 62.100 0.182 0.000 0.911 775 T CB 0.972 69.969 68.868 0.215 0.000 1.127 775 T HN 0.165 nan 8.240 nan 0.000 0.514 776 G N 1.734 110.688 108.800 0.257 0.000 2.136 776 G HA2 -0.011 3.809 3.960 -0.233 0.000 0.242 776 G HA3 -0.011 3.809 3.960 -0.233 0.000 0.242 776 G C 0.265 175.433 174.900 0.446 0.000 0.989 776 G CA -0.131 45.176 45.100 0.344 0.000 0.682 776 G HN 1.265 nan 8.290 nan 0.000 0.522 777 A N 0.359 123.328 122.820 0.248 0.000 2.451 777 A HA 0.660 4.840 4.320 -0.233 0.000 0.266 777 A C 1.095 178.608 177.584 -0.119 0.000 1.119 777 A CA 0.850 52.856 52.037 -0.051 0.000 0.786 777 A CB 0.418 19.413 19.000 -0.009 0.000 1.061 777 A HN 1.748 nan 8.150 nan 0.000 0.503 778 G N 0.924 109.576 108.800 -0.246 0.000 2.395 778 G HA2 0.525 4.345 3.960 -0.233 0.000 0.283 778 G HA3 0.525 4.345 3.960 -0.233 0.000 0.283 778 G C -0.163 174.509 174.900 -0.381 0.000 1.178 778 G CA 0.222 44.952 45.100 -0.617 0.000 0.837 778 G HN 0.939 nan 8.290 nan 0.000 0.518 779 T N 0.045 114.400 114.554 -0.332 0.000 2.868 779 T HA 0.298 4.508 4.350 -0.233 0.000 0.306 779 T C -0.571 174.063 174.700 -0.111 0.000 1.224 779 T CA -0.826 61.183 62.100 -0.150 0.000 1.012 779 T CB 1.476 70.314 68.868 -0.049 0.000 1.221 779 T HN 0.491 nan 8.240 nan 0.000 0.499 780 N N 2.285 120.951 118.700 -0.057 0.000 2.423 780 N HA 0.179 4.779 4.740 -0.233 0.000 0.275 780 N C 1.214 176.733 175.510 0.015 0.000 1.283 780 N CA 0.536 53.576 53.050 -0.017 0.000 0.932 780 N CB 0.908 39.394 38.487 -0.002 0.000 1.185 780 N HN 0.717 nan 8.380 nan 0.000 0.483 781 A N 4.949 127.793 122.820 0.040 0.000 2.019 781 A HA -0.083 4.098 4.320 -0.233 0.000 0.219 781 A C 2.057 179.638 177.584 -0.005 0.000 1.164 781 A CA 0.828 52.884 52.037 0.033 0.000 0.644 781 A CB -0.308 18.727 19.000 0.058 0.000 0.805 781 A HN 0.764 nan 8.150 nan 0.000 0.449 782 L N -1.320 119.920 121.223 0.027 0.000 2.465 782 L HA -0.030 4.171 4.340 -0.233 0.000 0.224 782 L C 1.707 178.581 176.870 0.007 0.000 1.145 782 L CA 0.833 55.678 54.840 0.009 0.000 0.834 782 L CB -0.291 41.797 42.059 0.050 0.000 0.944 782 L HN 0.250 nan 8.230 nan 0.000 0.451 783 K N 0.247 120.654 120.400 0.012 0.000 2.374 783 K HA 0.297 4.477 4.320 -0.233 0.000 0.202 783 K C 0.324 176.933 176.600 0.016 0.000 1.040 783 K CA -0.131 56.165 56.287 0.015 0.000 1.085 783 K CB 0.623 33.132 32.500 0.015 0.000 0.873 783 K HN 0.231 nan 8.250 nan 0.000 0.539 784 L N 2.711 123.939 121.223 0.008 0.000 2.462 784 L HA 0.019 4.219 4.340 -0.233 0.000 0.272 784 L C 0.439 177.324 176.870 0.024 0.000 1.166 784 L CA 0.534 55.379 54.840 0.008 0.000 0.880 784 L CB 0.318 42.364 42.059 -0.022 0.000 1.142 784 L HN -0.080 nan 8.230 nan 0.000 0.473 785 Q N 2.789 122.610 119.800 0.034 0.000 2.394 785 Q HA 0.323 4.524 4.340 -0.233 0.000 0.273 785 Q C -0.837 175.199 176.000 0.058 0.000 1.089 785 Q CA -0.939 54.907 55.803 0.072 0.000 0.812 785 Q CB 2.860 31.641 28.738 0.072 0.000 1.353 785 Q HN 0.398 nan 8.270 nan 0.000 0.438 786 F N 2.404 122.308 119.950 -0.076 0.000 2.571 786 F HA -0.039 4.349 4.527 -0.233 0.000 0.384 786 F C 0.402 176.062 175.800 -0.234 0.000 1.058 786 F CA -0.179 57.667 58.000 -0.257 0.000 1.200 786 F CB 0.318 38.920 39.000 -0.663 0.000 1.077 786 F HN 0.441 nan 8.300 nan 0.000 0.558 787 D N 5.174 125.080 120.400 -0.823 0.000 2.389 787 D HA -0.020 4.480 4.640 -0.233 0.000 0.263 787 D C 0.864 176.620 176.300 -0.906 0.000 1.255 787 D CA 0.063 53.664 54.000 -0.665 0.000 0.914 787 D CB 0.722 41.227 40.800 -0.492 0.000 1.116 787 D HN 0.604 nan 8.370 nan 0.000 0.502 788 K N 1.954 122.133 120.400 -0.367 0.000 2.555 788 K HA 0.077 4.258 4.320 -0.233 0.000 0.193 788 K C 1.403 177.964 176.600 -0.065 0.000 1.032 788 K CA 0.638 56.868 56.287 -0.095 0.000 1.004 788 K CB 0.266 32.861 32.500 0.158 0.000 0.804 788 K HN 0.293 nan 8.250 nan 0.000 0.496 789 G N -0.061 108.640 108.800 -0.165 0.000 2.986 789 G HA2 -0.002 3.818 3.960 -0.233 0.000 0.213 789 G HA3 -0.002 3.818 3.960 -0.233 0.000 0.213 789 G C -0.156 174.683 174.900 -0.102 0.000 1.156 789 G CA -0.414 44.634 45.100 -0.086 0.000 0.763 789 G HN 0.306 nan 8.290 nan 0.000 0.547 790 T N 1.823 116.221 114.554 -0.261 0.000 2.933 790 T HA 0.288 4.498 4.350 -0.233 0.000 0.306 790 T C 0.358 175.108 174.700 0.082 0.000 1.045 790 T CA 0.655 62.614 62.100 -0.234 0.000 1.143 790 T CB 0.480 68.930 68.868 -0.696 0.000 1.003 790 T HN 0.397 nan 8.240 nan 0.000 0.540 791 I N -0.349 120.307 120.570 0.143 0.000 2.957 791 I HA 0.748 4.778 4.170 -0.233 0.000 0.310 791 I C 0.346 176.676 176.117 0.355 0.000 1.063 791 I CA -1.194 60.276 61.300 0.284 0.000 1.033 791 I CB 2.123 40.205 38.000 0.136 0.000 1.230 791 I HN 0.563 nan 8.210 nan 0.000 0.447 792 S N 2.628 118.566 115.700 0.396 0.000 2.624 792 S HA 0.551 4.881 4.470 -0.233 0.000 0.263 792 S C 1.205 175.901 174.600 0.161 0.000 1.287 792 S CA -0.160 58.220 58.200 0.300 0.000 0.990 792 S CB 1.470 64.812 63.200 0.237 0.000 0.950 792 S HN 1.015 nan 8.310 nan 0.000 0.561 793 A N 0.909 123.791 122.820 0.104 0.000 1.940 793 A HA -0.116 4.064 4.320 -0.233 0.000 0.219 793 A C 1.762 179.448 177.584 0.170 0.000 1.176 793 A CA 1.793 53.898 52.037 0.112 0.000 0.631 793 A CB -1.109 17.929 19.000 0.063 0.000 0.814 793 A HN 0.872 nan 8.150 nan 0.000 0.446 794 D N -0.606 119.880 120.400 0.145 0.000 2.097 794 D HA -0.136 4.364 4.640 -0.233 0.000 0.195 794 D C 1.916 178.302 176.300 0.142 0.000 0.989 794 D CA 1.599 55.688 54.000 0.148 0.000 0.827 794 D CB -0.347 40.531 40.800 0.130 0.000 0.966 794 D HN 0.471 nan 8.370 nan 0.000 0.456 795 E N 0.981 121.255 120.200 0.123 0.000 2.085 795 E HA -0.200 4.011 4.350 -0.233 0.000 0.194 795 E C 1.958 178.548 176.600 -0.017 0.000 0.994 795 E CA 1.086 57.525 56.400 0.066 0.000 0.801 795 E CB -0.258 29.498 29.700 0.093 0.000 0.743 795 E HN 0.346 nan 8.360 nan 0.000 0.453 796 Q N -1.263 118.506 119.800 -0.051 0.000 2.124 796 Q HA -0.220 3.980 4.340 -0.233 0.000 0.202 796 Q C 1.969 177.653 176.000 -0.525 0.000 0.977 796 Q CA 1.478 57.117 55.803 -0.273 0.000 0.850 796 Q CB -0.311 28.278 28.738 -0.248 0.000 0.901 796 Q HN 0.488 nan 8.270 nan 0.000 0.429 797 Y N 0.409 120.519 120.300 -0.317 0.000 2.200 797 Y HA -0.167 4.243 4.550 -0.233 0.000 0.290 797 Y C 2.574 178.377 175.900 -0.161 0.000 1.137 797 Y CA 1.662 59.658 58.100 -0.173 0.000 1.163 797 Y CB 0.135 38.693 38.460 0.163 0.000 0.988 797 Y HN 0.046 nan 8.280 nan 0.000 0.518 798 R N -0.094 120.465 120.500 0.099 0.000 2.092 798 R HA -0.111 4.089 4.340 -0.233 0.000 0.231 798 R C 2.231 178.491 176.300 -0.066 0.000 1.119 798 R CA 1.284 57.409 56.100 0.043 0.000 0.970 798 R CB -0.018 30.297 30.300 0.024 0.000 0.864 798 R HN 0.283 nan 8.270 nan 0.000 0.440 799 R N -1.270 119.135 120.500 -0.160 0.000 2.127 799 R HA 0.032 4.233 4.340 -0.233 0.000 0.217 799 R C 2.233 178.382 176.300 -0.251 0.000 1.074 799 R CA 0.958 56.947 56.100 -0.185 0.000 0.991 799 R CB -0.161 30.033 30.300 -0.176 0.000 0.895 799 R HN 0.291 nan 8.270 nan 0.000 0.450 800 G N 1.156 109.660 108.800 -0.493 0.000 2.432 800 G HA2 -0.239 3.581 3.960 -0.233 0.000 0.219 800 G HA3 -0.239 3.581 3.960 -0.233 0.000 0.219 800 G C 1.199 176.005 174.900 -0.157 0.000 1.135 800 G CA 0.638 45.405 45.100 -0.555 0.000 0.767 800 G HN 0.226 nan 8.290 nan 0.000 0.550 801 N N 0.652 119.308 118.700 -0.072 0.000 2.422 801 N HA 0.074 4.674 4.740 -0.233 0.000 0.181 801 N C 0.646 176.239 175.510 0.138 0.000 1.080 801 N CA 0.029 53.146 53.050 0.111 0.000 0.893 801 N CB 0.190 38.772 38.487 0.158 0.000 0.973 801 N HN 0.513 nan 8.380 nan 0.000 0.456 802 E N 0.576 120.791 120.200 0.026 0.000 2.436 802 E HA 0.174 4.384 4.350 -0.233 0.000 0.262 802 E C 0.110 176.764 176.600 0.090 0.000 1.063 802 E CA -0.169 56.229 56.400 -0.004 0.000 0.944 802 E CB 0.631 30.291 29.700 -0.066 0.000 0.950 802 E HN 0.171 nan 8.360 nan 0.000 0.444 803 A N 2.533 125.366 122.820 0.021 0.000 2.511 803 A HA -0.100 4.081 4.320 -0.233 0.000 0.242 803 A C 0.481 178.041 177.584 -0.040 0.000 1.069 803 A CA 0.092 52.173 52.037 0.073 0.000 0.763 803 A CB -0.007 18.894 19.000 -0.165 0.000 1.001 803 A HN 0.841 nan 8.150 nan 0.000 0.498 804 Y N 3.056 123.307 120.300 -0.081 0.000 2.128 804 Y HA -0.099 4.311 4.550 -0.233 0.000 0.284 804 Y C 1.281 177.064 175.900 -0.195 0.000 1.154 804 Y CA 2.056 60.084 58.100 -0.119 0.000 1.149 804 Y CB 0.050 38.456 38.460 -0.089 0.000 0.976 804 Y HN 0.911 nan 8.280 nan 0.000 0.505 805 S N -3.518 112.068 115.700 -0.191 0.000 2.757 805 S HA 0.258 4.589 4.470 -0.233 0.000 0.285 805 S C -0.754 173.571 174.600 -0.458 0.000 1.196 805 S CA -0.596 57.370 58.200 -0.391 0.000 0.856 805 S CB 0.199 63.286 63.200 -0.188 0.000 1.212 805 S HN 0.145 nan 8.310 nan 0.000 0.516 806 Y N 0.756 121.041 120.300 -0.025 0.000 2.555 806 Y HA 0.345 4.756 4.550 -0.233 0.000 0.259 806 Y C 0.275 176.163 175.900 -0.019 0.000 1.179 806 Y CA -0.777 57.303 58.100 -0.032 0.000 1.230 806 Y CB 0.156 38.586 38.460 -0.050 0.000 1.146 806 Y HN 0.492 nan 8.280 nan 0.000 0.526 807 D N 0.744 121.196 120.400 0.086 0.000 2.360 807 D HA -0.072 4.428 4.640 -0.233 0.000 0.242 807 D C 0.495 176.823 176.300 0.048 0.000 1.184 807 D CA 0.224 54.261 54.000 0.062 0.000 0.930 807 D CB 0.983 41.816 40.800 0.055 0.000 1.161 807 D HN 0.198 nan 8.370 nan 0.000 0.447 808 D N 0.426 120.842 120.400 0.027 0.000 2.182 808 D HA -0.131 4.369 4.640 -0.233 0.000 0.201 808 D C 1.613 177.921 176.300 0.014 0.000 0.986 808 D CA 1.136 55.144 54.000 0.012 0.000 0.847 808 D CB 0.219 41.017 40.800 -0.003 0.000 0.942 808 D HN 0.305 nan 8.370 nan 0.000 0.467 809 K N -0.112 120.299 120.400 0.018 0.000 2.186 809 K HA 0.065 4.245 4.320 -0.233 0.000 0.202 809 K C 2.098 178.709 176.600 0.019 0.000 1.052 809 K CA 0.355 56.647 56.287 0.009 0.000 0.965 809 K CB 0.253 32.753 32.500 -0.000 0.000 0.746 809 K HN -0.044 nan 8.250 nan 0.000 0.457 810 S N 0.771 116.498 115.700 0.045 0.000 2.406 810 S HA 0.042 4.373 4.470 -0.233 0.000 0.228 810 S C 0.838 175.492 174.600 0.090 0.000 1.020 810 S CA 0.682 58.923 58.200 0.067 0.000 0.965 810 S CB 0.134 63.396 63.200 0.103 0.000 0.798 810 S HN 0.160 nan 8.310 nan 0.000 0.488 811 I N 1.625 122.238 120.570 0.071 0.000 2.497 811 I HA 0.249 4.279 4.170 -0.233 0.000 0.284 811 I C -0.791 175.348 176.117 0.037 0.000 1.060 811 I CA -0.409 60.935 61.300 0.073 0.000 1.071 811 I CB 2.035 40.053 38.000 0.031 0.000 1.216 811 I HN -0.045 nan 8.210 nan 0.000 0.442 812 E N 5.571 125.800 120.200 0.049 0.000 2.366 812 E HA 0.154 4.364 4.350 -0.233 0.000 0.266 812 E C -0.621 175.970 176.600 -0.014 0.000 1.015 812 E CA 0.183 56.592 56.400 0.015 0.000 0.906 812 E CB 0.598 30.311 29.700 0.023 0.000 0.979 812 E HN 0.686 nan 8.360 nan 0.000 0.443 813 N N -0.625 118.063 118.700 -0.020 0.000 2.825 813 N HA 0.489 5.090 4.740 -0.233 0.000 0.253 813 N C -1.834 173.673 175.510 -0.004 0.000 1.426 813 N CA -0.891 52.147 53.050 -0.019 0.000 0.851 813 N CB 1.358 39.831 38.487 -0.023 0.000 1.470 813 N HN 0.103 nan 8.380 nan 0.000 0.517 814 V N 1.580 121.514 119.914 0.033 0.000 2.409 814 V HA 0.464 4.445 4.120 -0.233 0.000 0.290 814 V C -0.189 175.979 176.094 0.123 0.000 1.017 814 V CA -0.862 61.469 62.300 0.051 0.000 0.841 814 V CB 0.759 32.613 31.823 0.052 0.000 1.003 814 V HN 0.944 nan 8.190 nan 0.000 0.426 815 N N 3.995 122.719 118.700 0.041 0.000 2.708 815 N HA -0.252 4.348 4.740 -0.233 0.000 0.249 815 N C 1.231 176.743 175.510 0.002 0.000 1.097 815 N CA 1.299 54.371 53.050 0.036 0.000 0.710 815 N CB -0.792 37.789 38.487 0.157 0.000 1.032 815 N HN 1.514 nan 8.380 nan 0.000 0.551 816 G N -1.752 107.013 108.800 -0.058 0.000 2.225 816 G HA2 -0.368 3.452 3.960 -0.233 0.000 0.254 816 G HA3 -0.368 3.452 3.960 -0.233 0.000 0.254 816 G C -0.012 174.742 174.900 -0.244 0.000 0.988 816 G CA 0.534 45.533 45.100 -0.168 0.000 0.625 816 G HN 0.458 nan 8.290 nan 0.000 0.527 817 Y N 0.014 120.310 120.300 -0.007 0.000 2.304 817 Y HA 0.624 5.035 4.550 -0.232 0.000 0.327 817 Y C 0.844 176.714 175.900 -0.051 0.000 1.209 817 Y CA -0.824 57.271 58.100 -0.009 0.000 1.299 817 Y CB 0.783 39.229 38.460 -0.023 0.000 1.249 817 Y HN 0.106 nan 8.280 nan 0.000 0.519 818 L N 1.961 123.241 121.223 0.094 0.000 2.360 818 L HA 0.519 4.720 4.340 -0.233 0.000 0.271 818 L C 0.468 177.254 176.870 -0.139 0.000 1.057 818 L CA -0.399 54.406 54.840 -0.058 0.000 0.803 818 L CB 1.479 43.455 42.059 -0.138 0.000 1.207 818 L HN 0.815 nan 8.230 nan 0.000 0.445 819 T N -1.717 112.660 114.554 -0.294 0.000 2.926 819 T HA 0.662 4.872 4.350 -0.233 0.000 0.289 819 T C 0.934 175.310 174.700 -0.540 0.000 1.054 819 T CA -0.153 61.571 62.100 -0.625 0.000 1.015 819 T CB 1.413 69.639 68.868 -1.070 0.000 1.167 819 T HN 0.559 nan 8.240 nan 0.000 0.526 820 A N 0.347 122.719 122.820 -0.746 0.000 2.076 820 A HA -0.017 4.164 4.320 -0.233 0.000 0.220 820 A C 1.730 179.105 177.584 -0.348 0.000 1.160 820 A CA 1.551 53.156 52.037 -0.720 0.000 0.653 820 A CB -0.874 17.144 19.000 -1.636 0.000 0.801 820 A HN 0.875 nan 8.150 nan 0.000 0.455 821 D N -0.431 119.859 120.400 -0.184 0.000 2.355 821 D HA 0.018 4.518 4.640 -0.233 0.000 0.218 821 D C 0.129 176.503 176.300 0.123 0.000 1.004 821 D CA 0.409 54.441 54.000 0.054 0.000 0.880 821 D CB -0.257 40.606 40.800 0.105 0.000 0.911 821 D HN 0.199 nan 8.370 nan 0.000 0.528 822 T N 1.605 116.161 114.554 0.003 0.000 2.871 822 T HA -0.047 4.163 4.350 -0.233 0.000 0.296 822 T C -0.147 174.721 174.700 0.281 0.000 0.998 822 T CA 0.207 62.345 62.100 0.063 0.000 1.162 822 T CB 0.338 69.155 68.868 -0.085 0.000 0.947 822 T HN 0.016 nan 8.240 nan 0.000 0.536 823 W N 3.930 125.212 121.300 -0.031 0.000 2.578 823 W HA 0.605 5.125 4.660 -0.232 0.000 0.346 823 W C -0.225 176.345 176.519 0.085 0.000 1.075 823 W CA -1.264 56.093 57.345 0.020 0.000 1.233 823 W CB 0.713 30.146 29.460 -0.044 0.000 1.358 823 W HN 0.697 nan 8.180 nan 0.000 0.574 824 Y N -0.736 119.594 120.300 0.050 0.000 2.625 824 Y HA 0.642 5.052 4.550 -0.233 0.000 0.338 824 Y C -0.787 175.099 175.900 -0.023 0.000 1.123 824 Y CA -1.963 56.128 58.100 -0.014 0.000 1.046 824 Y CB 1.268 39.676 38.460 -0.088 0.000 1.299 824 Y HN 0.403 nan 8.280 nan 0.000 0.464 825 R N 3.911 124.301 120.500 -0.183 0.000 2.198 825 R HA 0.455 4.656 4.340 -0.233 0.000 0.339 825 R C -2.845 173.300 176.300 -0.258 0.000 1.020 825 R CA -2.013 53.926 56.100 -0.267 0.000 0.864 825 R CB 0.960 31.189 30.300 -0.117 0.000 1.105 825 R HN 0.531 nan 8.270 nan 0.000 0.463 826 P HA 0.113 nan 4.420 nan 0.000 0.276 826 P C -0.324 176.990 177.300 0.023 0.000 1.244 826 P CA -0.342 62.668 63.100 -0.151 0.000 0.801 826 P CB 1.054 32.633 31.700 -0.201 0.000 1.006 827 K N -0.038 120.412 120.400 0.084 0.000 2.063 827 K HA -0.113 4.067 4.320 -0.233 0.000 0.208 827 K C 0.946 177.600 176.600 0.091 0.000 1.048 827 K CA 1.506 57.863 56.287 0.118 0.000 0.928 827 K CB 0.084 32.591 32.500 0.012 0.000 0.713 827 K HN 0.544 nan 8.250 nan 0.000 0.442 828 Q N -0.197 119.644 119.800 0.068 0.000 2.389 828 Q HA 0.380 4.580 4.340 -0.233 0.000 0.277 828 Q C -1.590 174.579 176.000 0.283 0.000 1.082 828 Q CA -0.735 55.162 55.803 0.156 0.000 0.810 828 Q CB 2.443 31.266 28.738 0.141 0.000 1.374 828 Q HN -0.031 nan 8.270 nan 0.000 0.422 829 I N 1.931 122.637 120.570 0.227 0.000 2.377 829 I HA 0.165 4.196 4.170 -0.233 0.000 0.293 829 I C -0.763 175.294 176.117 -0.100 0.000 0.987 829 I CA -0.571 60.774 61.300 0.075 0.000 1.185 829 I CB 1.447 39.432 38.000 -0.025 0.000 1.341 829 I HN 0.471 nan 8.210 nan 0.000 0.455 830 L N 8.091 128.970 121.223 -0.574 0.000 2.391 830 L HA 0.264 4.465 4.340 -0.233 0.000 0.249 830 L C 0.398 176.970 176.870 -0.498 0.000 1.308 830 L CA 0.103 54.295 54.840 -1.079 0.000 1.209 830 L CB -0.903 40.164 42.059 -1.652 0.000 1.401 830 L HN 0.477 nan 8.230 nan 0.000 0.416 831 K N 1.773 121.997 120.400 -0.295 0.000 2.448 831 K HA -0.070 4.110 4.320 -0.233 0.000 0.278 831 K C 0.752 177.265 176.600 -0.146 0.000 1.009 831 K CA 0.320 56.512 56.287 -0.159 0.000 0.995 831 K CB 0.338 32.786 32.500 -0.087 0.000 0.917 831 K HN 0.557 nan 8.250 nan 0.000 0.481 832 D N 2.629 122.974 120.400 -0.091 0.000 2.997 832 D HA -0.211 4.289 4.640 -0.233 0.000 0.226 832 D C 0.537 176.783 176.300 -0.089 0.000 1.189 832 D CA 1.977 55.938 54.000 -0.066 0.000 0.834 832 D CB -1.178 39.594 40.800 -0.047 0.000 1.105 832 D HN 0.991 nan 8.370 nan 0.000 0.415 833 G N -2.068 106.643 108.800 -0.148 0.000 2.179 833 G HA2 -0.352 3.468 3.960 -0.233 0.000 0.257 833 G HA3 -0.352 3.468 3.960 -0.233 0.000 0.257 833 G C 0.949 175.742 174.900 -0.178 0.000 1.010 833 G CA 1.634 46.633 45.100 -0.168 0.000 0.736 833 G HN 1.130 nan 8.290 nan 0.000 0.513 834 T N -5.194 109.239 114.554 -0.202 0.000 3.177 834 T HA 0.346 4.556 4.350 -0.233 0.000 0.262 834 T C 0.728 175.310 174.700 -0.197 0.000 0.959 834 T CA 1.172 63.181 62.100 -0.151 0.000 0.996 834 T CB 0.801 69.627 68.868 -0.070 0.000 1.185 834 T HN 0.490 nan 8.240 nan 0.000 0.486 835 T N 2.489 116.919 114.554 -0.206 0.000 2.788 835 T HA 0.425 4.636 4.350 -0.233 0.000 0.296 835 T C -1.062 173.541 174.700 -0.163 0.000 1.009 835 T CA -0.582 61.441 62.100 -0.129 0.000 0.949 835 T CB 0.260 69.099 68.868 -0.048 0.000 0.946 835 T HN 0.344 nan 8.240 nan 0.000 0.453 836 W N 3.114 124.386 121.300 -0.046 0.000 2.397 836 W HA 0.267 4.788 4.660 -0.233 0.000 0.327 836 W C 0.530 177.023 176.519 -0.042 0.000 1.421 836 W CA -0.061 57.245 57.345 -0.064 0.000 1.288 836 W CB 0.264 29.682 29.460 -0.069 0.000 1.312 836 W HN 0.430 nan 8.180 nan 0.000 0.559 837 T N 3.698 118.377 114.554 0.209 0.000 2.916 837 T HA 0.084 4.294 4.350 -0.233 0.000 0.298 837 T C -0.809 173.954 174.700 0.106 0.000 1.031 837 T CA -1.040 61.127 62.100 0.112 0.000 0.993 837 T CB 1.247 70.139 68.868 0.041 0.000 1.045 837 T HN 0.061 nan 8.240 nan 0.000 0.454 838 D N 2.787 123.232 120.400 0.075 0.000 2.583 838 D HA 0.146 4.647 4.640 -0.233 0.000 0.232 838 D C 0.677 176.987 176.300 0.016 0.000 1.128 838 D CA 0.593 54.627 54.000 0.056 0.000 0.859 838 D CB 0.437 41.266 40.800 0.049 0.000 1.169 838 D HN 0.548 nan 8.370 nan 0.000 0.481 839 S N 1.955 117.651 115.700 -0.006 0.000 2.580 839 S HA 0.320 4.650 4.470 -0.233 0.000 0.274 839 S C 0.243 174.748 174.600 -0.160 0.000 1.329 839 S CA -0.662 57.489 58.200 -0.082 0.000 1.036 839 S CB 1.508 64.642 63.200 -0.111 0.000 0.919 839 S HN 0.259 nan 8.310 nan 0.000 0.515 840 K N 0.723 121.034 120.400 -0.149 0.000 2.109 840 K HA 0.202 4.383 4.320 -0.233 0.000 0.243 840 K C 1.500 177.964 176.600 -0.227 0.000 1.006 840 K CA -0.427 55.757 56.287 -0.171 0.000 0.917 840 K CB 0.555 32.993 32.500 -0.103 0.000 1.081 840 K HN 0.895 nan 8.250 nan 0.000 0.468 841 E N -0.222 119.847 120.200 -0.217 0.000 2.338 841 E HA -0.143 4.068 4.350 -0.233 0.000 0.197 841 E C 0.798 177.322 176.600 -0.127 0.000 1.007 841 E CA 1.463 57.740 56.400 -0.204 0.000 0.849 841 E CB -0.126 29.474 29.700 -0.167 0.000 0.774 841 E HN 0.659 nan 8.360 nan 0.000 0.506 842 T N -1.518 112.978 114.554 -0.097 0.000 3.113 842 T HA -0.002 4.208 4.350 -0.233 0.000 0.256 842 T C 0.606 175.278 174.700 -0.048 0.000 1.131 842 T CA 0.078 62.141 62.100 -0.061 0.000 1.074 842 T CB -0.064 68.777 68.868 -0.045 0.000 0.944 842 T HN -0.040 nan 8.240 nan 0.000 0.516 843 D N 2.843 123.195 120.400 -0.080 0.000 2.885 843 D HA 0.147 4.647 4.640 -0.233 0.000 0.234 843 D C 0.171 176.413 176.300 -0.098 0.000 1.129 843 D CA 0.100 54.054 54.000 -0.078 0.000 0.991 843 D CB -0.131 40.608 40.800 -0.102 0.000 1.137 843 D HN 0.382 nan 8.370 nan 0.000 0.459 844 M N 0.658 120.251 119.600 -0.012 0.000 2.238 844 M HA 0.218 4.558 4.480 -0.233 0.000 0.347 844 M C 0.715 177.042 176.300 0.045 0.000 1.173 844 M CA 0.191 55.520 55.300 0.048 0.000 1.147 844 M CB 0.626 33.357 32.600 0.218 0.000 1.547 844 M HN -0.134 nan 8.290 nan 0.000 0.455 845 R N 1.968 122.304 120.500 -0.273 0.000 2.808 845 R HA 0.588 4.788 4.340 -0.233 0.000 0.272 845 R C -2.681 173.008 176.300 -1.018 0.000 0.995 845 R CA -2.154 53.513 56.100 -0.722 0.000 0.917 845 R CB 1.158 31.126 30.300 -0.553 0.000 1.217 845 R HN 0.276 nan 8.270 nan 0.000 0.471 846 P HA 0.144 nan 4.420 nan 0.000 0.267 846 P C 0.909 178.001 177.300 -0.347 0.000 1.209 846 P CA 0.081 62.506 63.100 -1.125 0.000 0.763 846 P CB 0.436 31.700 31.700 -0.727 0.000 0.816 847 I N 3.208 123.693 120.570 -0.142 0.000 2.530 847 I HA -0.203 3.827 4.170 -0.233 0.000 0.257 847 I C 1.257 177.255 176.117 -0.198 0.000 1.179 847 I CA 1.189 62.405 61.300 -0.139 0.000 1.440 847 I CB 0.099 37.923 38.000 -0.294 0.000 1.087 847 I HN 0.349 nan 8.210 nan 0.000 0.440 848 L N -0.186 120.931 121.223 -0.177 0.000 2.599 848 L HA -0.058 4.142 4.340 -0.233 0.000 0.230 848 L C 2.201 178.783 176.870 -0.480 0.000 1.141 848 L CA 0.227 54.886 54.840 -0.302 0.000 0.877 848 L CB -0.239 41.843 42.059 0.037 0.000 1.009 848 L HN 0.362 nan 8.230 nan 0.000 0.447 849 M N -0.075 119.375 119.600 -0.251 0.000 2.476 849 M HA -0.081 4.259 4.480 -0.233 0.000 0.262 849 M C 1.396 177.629 176.300 -0.112 0.000 1.079 849 M CA 1.294 56.563 55.300 -0.052 0.000 1.104 849 M CB 0.309 32.900 32.600 -0.017 0.000 1.409 849 M HN 0.238 nan 8.290 nan 0.000 0.467 850 V N -4.486 115.143 119.914 -0.476 0.000 3.392 850 V HA 0.298 4.278 4.120 -0.233 0.000 0.285 850 V C -0.484 175.105 176.094 -0.842 0.000 1.582 850 V CA -0.686 61.364 62.300 -0.416 0.000 1.034 850 V CB -0.411 31.376 31.823 -0.060 0.000 0.846 850 V HN 0.533 nan 8.190 nan 0.000 0.431 851 W N 0.199 120.557 121.300 -1.570 0.000 3.127 851 W HA 0.686 5.206 4.660 -0.233 0.000 0.330 851 W C -2.351 173.326 176.519 -1.403 0.000 1.187 851 W CA -0.806 55.825 57.345 -1.190 0.000 1.198 851 W CB 1.510 30.603 29.460 -0.612 0.000 1.408 851 W HN 0.067 nan 8.180 nan 0.000 0.529 852 W N 5.004 125.611 121.300 -1.156 0.000 3.217 852 W HA 0.194 4.714 4.660 -0.233 0.000 0.323 852 W C -1.845 173.783 176.519 -1.486 0.000 1.216 852 W CA -1.544 55.135 57.345 -1.109 0.000 1.194 852 W CB 1.343 30.538 29.460 -0.442 0.000 1.397 852 W HN 0.173 nan 8.180 nan 0.000 0.537 853 P HA -0.110 nan 4.420 nan 0.000 0.223 853 P C -0.067 177.152 177.300 -0.135 0.000 1.151 853 P CA 1.497 64.375 63.100 -0.370 0.000 0.787 853 P CB 0.695 32.382 31.700 -0.021 0.000 0.788 854 N N -2.787 115.854 118.700 -0.098 0.000 3.046 854 N HA 0.060 4.660 4.740 -0.233 0.000 0.243 854 N C 0.401 175.899 175.510 -0.020 0.000 1.452 854 N CA -0.369 52.660 53.050 -0.034 0.000 0.882 854 N CB 0.556 39.030 38.487 -0.021 0.000 1.425 854 N HN -0.262 nan 8.380 nan 0.000 0.517 855 T N -2.782 111.760 114.554 -0.020 0.000 2.951 855 T HA -0.024 4.186 4.350 -0.233 0.000 0.268 855 T C 1.807 176.487 174.700 -0.035 0.000 1.073 855 T CA 0.907 62.978 62.100 -0.048 0.000 1.134 855 T CB -0.338 68.509 68.868 -0.034 0.000 0.884 855 T HN 0.265 nan 8.240 nan 0.000 0.479 856 V N 2.187 122.100 119.914 -0.002 0.000 2.287 856 V HA -0.209 3.771 4.120 -0.233 0.000 0.248 856 V C 3.033 179.178 176.094 0.085 0.000 1.053 856 V CA 2.461 64.778 62.300 0.027 0.000 1.027 856 V CB -1.228 30.599 31.823 0.006 0.000 0.646 856 V HN 0.591 nan 8.190 nan 0.000 0.447 857 T N -1.087 113.520 114.554 0.087 0.000 2.777 857 T HA -0.246 3.964 4.350 -0.233 0.000 0.266 857 T C 1.889 176.722 174.700 0.222 0.000 1.040 857 T CA 1.663 63.895 62.100 0.221 0.000 1.141 857 T CB -0.224 68.739 68.868 0.160 0.000 0.868 857 T HN 0.532 nan 8.240 nan 0.000 0.444 858 Q N 0.632 120.392 119.800 -0.065 0.000 2.112 858 Q HA -0.167 4.033 4.340 -0.233 0.000 0.206 858 Q C 2.450 178.276 176.000 -0.291 0.000 0.987 858 Q CA 1.692 57.154 55.803 -0.569 0.000 0.858 858 Q CB -0.283 27.985 28.738 -0.784 0.000 0.905 858 Q HN 0.558 nan 8.270 nan 0.000 0.420 859 A N -0.265 122.491 122.820 -0.107 0.000 1.898 859 A HA -0.198 3.983 4.320 -0.233 0.000 0.216 859 A C 1.868 179.568 177.584 0.192 0.000 1.181 859 A CA 1.306 53.340 52.037 -0.005 0.000 0.620 859 A CB -0.933 18.114 19.000 0.078 0.000 0.819 859 A HN 0.653 nan 8.150 nan 0.000 0.442 860 Y N -0.855 119.530 120.300 0.141 0.000 2.200 860 Y HA -0.238 4.172 4.550 -0.233 0.000 0.290 860 Y C 2.148 178.218 175.900 0.284 0.000 1.137 860 Y CA 1.295 59.556 58.100 0.268 0.000 1.163 860 Y CB -1.011 37.648 38.460 0.331 0.000 0.988 860 Y HN 0.486 nan 8.280 nan 0.000 0.518 861 Y N 0.100 120.396 120.300 -0.006 0.000 2.114 861 Y HA -0.310 4.100 4.550 -0.233 0.000 0.282 861 Y C 2.168 177.879 175.900 -0.315 0.000 1.165 861 Y CA 2.258 60.039 58.100 -0.531 0.000 1.148 861 Y CB -0.757 37.543 38.460 -0.266 0.000 0.972 861 Y HN 0.140 nan 8.280 nan 0.000 0.504 862 L N 0.374 121.471 121.223 -0.211 0.000 1.989 862 L HA -0.318 3.883 4.340 -0.233 0.000 0.211 862 L C 2.272 179.107 176.870 -0.058 0.000 1.071 862 L CA 1.735 56.433 54.840 -0.236 0.000 0.749 862 L CB -0.810 41.013 42.059 -0.395 0.000 0.890 862 L HN 0.309 nan 8.230 nan 0.000 0.431 863 N N -0.801 117.968 118.700 0.116 0.000 2.149 863 N HA -0.257 4.344 4.740 -0.233 0.000 0.188 863 N C 1.723 177.280 175.510 0.080 0.000 1.019 863 N CA 1.467 54.610 53.050 0.154 0.000 0.857 863 N CB -0.482 38.164 38.487 0.265 0.000 0.997 863 N HN 0.392 nan 8.380 nan 0.000 0.426 864 Y N 0.980 121.215 120.300 -0.108 0.000 2.220 864 Y HA -0.003 4.407 4.550 -0.233 0.000 0.291 864 Y C 2.282 178.136 175.900 -0.078 0.000 1.129 864 Y CA 1.117 59.188 58.100 -0.050 0.000 1.161 864 Y CB 0.054 38.357 38.460 -0.262 0.000 0.997 864 Y HN -0.093 nan 8.280 nan 0.000 0.522 865 M N 0.402 119.922 119.600 -0.134 0.000 2.229 865 M HA -0.156 4.184 4.480 -0.233 0.000 0.264 865 M C 2.096 178.352 176.300 -0.072 0.000 1.063 865 M CA 1.544 56.758 55.300 -0.143 0.000 1.114 865 M CB -0.931 31.427 32.600 -0.402 0.000 1.387 865 M HN 0.286 nan 8.290 nan 0.000 0.420 866 K N 0.608 120.962 120.400 -0.077 0.000 1.991 866 K HA -0.188 3.992 4.320 -0.233 0.000 0.207 866 K C 2.085 178.614 176.600 -0.119 0.000 1.045 866 K CA 1.397 57.649 56.287 -0.059 0.000 0.937 866 K CB -0.180 32.306 32.500 -0.024 0.000 0.720 866 K HN 0.282 nan 8.250 nan 0.000 0.438 867 Q N -0.998 118.688 119.800 -0.189 0.000 2.079 867 Q HA -0.154 4.047 4.340 -0.233 0.000 0.200 867 Q C 1.226 176.886 176.000 -0.566 0.000 0.974 867 Q CA 1.632 57.203 55.803 -0.387 0.000 0.840 867 Q CB 0.080 28.535 28.738 -0.471 0.000 0.898 867 Q HN 0.470 nan 8.270 nan 0.000 0.430 868 Y N -2.459 117.656 120.300 -0.308 0.000 2.462 868 Y HA 0.317 4.727 4.550 -0.232 0.000 0.253 868 Y C 1.893 177.739 175.900 -0.090 0.000 1.095 868 Y CA 0.468 58.392 58.100 -0.292 0.000 1.283 868 Y CB 0.734 38.783 38.460 -0.685 0.000 1.138 868 Y HN 0.184 nan 8.280 nan 0.000 0.522 869 G N -0.986 107.861 108.800 0.077 0.000 2.939 869 G HA2 0.002 3.822 3.960 -0.233 0.000 0.216 869 G HA3 0.002 3.822 3.960 -0.233 0.000 0.216 869 G C 0.063 174.983 174.900 0.033 0.000 1.125 869 G CA -0.090 45.084 45.100 0.124 0.000 0.766 869 G HN 0.344 nan 8.290 nan 0.000 0.541 870 N N -0.921 117.767 118.700 -0.020 0.000 2.727 870 N HA -0.143 4.457 4.740 -0.233 0.000 0.249 870 N C 0.787 176.283 175.510 -0.024 0.000 1.048 870 N CA 0.267 53.292 53.050 -0.041 0.000 0.714 870 N CB -0.990 37.465 38.487 -0.053 0.000 0.959 870 N HN 0.332 nan 8.380 nan 0.000 0.544 871 L N -1.015 120.207 121.223 -0.002 0.000 2.640 871 L HA 0.335 4.536 4.340 -0.233 0.000 0.230 871 L C 0.274 177.168 176.870 0.041 0.000 1.123 871 L CA 0.395 55.250 54.840 0.025 0.000 0.900 871 L CB 0.263 42.357 42.059 0.058 0.000 1.146 871 L HN 0.203 nan 8.230 nan 0.000 0.484 872 L N -1.179 120.063 121.223 0.031 0.000 2.376 872 L HA 0.494 4.695 4.340 -0.233 0.000 0.258 872 L C -2.416 174.473 176.870 0.030 0.000 1.013 872 L CA -2.021 52.858 54.840 0.066 0.000 0.822 872 L CB 1.944 44.061 42.059 0.096 0.000 1.388 872 L HN -0.281 nan 8.230 nan 0.000 0.413 873 P HA 0.018 nan 4.420 nan 0.000 0.264 873 P C 0.290 177.577 177.300 -0.021 0.000 1.193 873 P CA 0.100 63.209 63.100 0.014 0.000 0.763 873 P CB 0.902 32.622 31.700 0.033 0.000 0.810 874 A N 3.619 126.418 122.820 -0.035 0.000 1.915 874 A HA -0.226 3.954 4.320 -0.233 0.000 0.220 874 A C 1.423 178.967 177.584 -0.065 0.000 1.198 874 A CA 2.379 54.382 52.037 -0.056 0.000 0.647 874 A CB -1.358 17.610 19.000 -0.054 0.000 0.825 874 A HN 0.607 nan 8.150 nan 0.000 0.456 875 S N -0.965 114.702 115.700 -0.055 0.000 3.548 875 S HA 0.626 4.956 4.470 -0.233 0.000 0.195 875 S C -0.477 174.075 174.600 -0.081 0.000 1.432 875 S CA -0.558 57.603 58.200 -0.064 0.000 1.087 875 S CB -0.240 62.932 63.200 -0.047 0.000 1.337 875 S HN 0.474 nan 8.310 nan 0.000 0.505 876 L N 1.729 122.881 121.223 -0.118 0.000 2.385 876 L HA 0.614 4.814 4.340 -0.233 0.000 0.273 876 L C -2.656 174.053 176.870 -0.269 0.000 0.990 876 L CA -2.489 52.238 54.840 -0.188 0.000 0.821 876 L CB 1.930 43.870 42.059 -0.198 0.000 1.279 876 L HN 0.201 nan 8.230 nan 0.000 0.412 877 P HA 0.040 nan 4.420 nan 0.000 0.265 877 P C -0.803 176.221 177.300 -0.460 0.000 1.187 877 P CA 0.080 62.986 63.100 -0.324 0.000 0.766 877 P CB 0.482 31.997 31.700 -0.309 0.000 0.820 878 S N 2.058 117.593 115.700 -0.275 0.000 2.552 878 S HA 0.099 4.430 4.470 -0.233 0.000 0.289 878 S C 0.170 174.617 174.600 -0.254 0.000 1.304 878 S CA -0.020 58.066 58.200 -0.191 0.000 1.063 878 S CB -0.390 62.780 63.200 -0.050 0.000 0.848 878 S HN 0.202 nan 8.310 nan 0.000 0.499 879 F N 1.668 121.597 119.950 -0.036 0.000 2.429 879 F HA 0.298 4.685 4.527 -0.233 0.000 0.348 879 F C 1.206 177.007 175.800 0.003 0.000 1.109 879 F CA 0.099 58.081 58.000 -0.031 0.000 1.232 879 F CB 0.892 39.870 39.000 -0.037 0.000 1.157 879 F HN 0.416 nan 8.300 nan 0.000 0.564 880 S N 0.193 116.011 115.700 0.196 0.000 2.718 880 S HA 0.278 4.608 4.470 -0.233 0.000 0.300 880 S C 0.979 175.636 174.600 0.095 0.000 1.117 880 S CA -0.598 57.664 58.200 0.103 0.000 1.002 880 S CB 1.381 64.616 63.200 0.058 0.000 1.092 880 S HN 0.721 nan 8.310 nan 0.000 0.542 881 T N 1.063 115.652 114.554 0.058 0.000 2.821 881 T HA -0.105 4.105 4.350 -0.233 0.000 0.267 881 T C 0.815 175.538 174.700 0.038 0.000 1.046 881 T CA 1.290 63.414 62.100 0.041 0.000 1.139 881 T CB -0.411 68.470 68.868 0.022 0.000 0.871 881 T HN 0.765 nan 8.240 nan 0.000 0.454 882 D N 1.656 122.080 120.400 0.039 0.000 2.434 882 D HA 0.370 4.870 4.640 -0.233 0.000 0.232 882 D C 0.332 176.664 176.300 0.052 0.000 1.166 882 D CA -0.441 53.581 54.000 0.037 0.000 0.830 882 D CB -0.636 40.180 40.800 0.028 0.000 0.960 882 D HN 0.396 nan 8.370 nan 0.000 0.497 883 A N 0.736 123.600 122.820 0.074 0.000 2.511 883 A HA 0.079 4.259 4.320 -0.233 0.000 0.242 883 A C 0.469 178.100 177.584 0.079 0.000 1.069 883 A CA -0.268 51.834 52.037 0.108 0.000 0.763 883 A CB 0.175 19.272 19.000 0.162 0.000 1.001 883 A HN 0.326 nan 8.150 nan 0.000 0.498 884 D N 2.254 122.709 120.400 0.091 0.000 2.424 884 D HA 0.017 4.518 4.640 -0.233 0.000 0.244 884 D C 1.480 177.816 176.300 0.060 0.000 1.134 884 D CA 0.731 54.773 54.000 0.071 0.000 0.881 884 D CB 0.937 41.782 40.800 0.076 0.000 1.191 884 D HN 0.558 nan 8.370 nan 0.000 0.445 885 S N 2.967 118.691 115.700 0.040 0.000 2.423 885 S HA -0.100 4.230 4.470 -0.233 0.000 0.231 885 S C 1.805 176.424 174.600 0.033 0.000 1.014 885 S CA 0.794 59.008 58.200 0.024 0.000 0.965 885 S CB -0.032 63.185 63.200 0.028 0.000 0.785 885 S HN 0.524 nan 8.310 nan 0.000 0.495 886 A N 1.331 124.181 122.820 0.049 0.000 2.021 886 A HA 0.130 4.310 4.320 -0.233 0.000 0.216 886 A C 2.131 179.760 177.584 0.075 0.000 1.163 886 A CA 1.030 53.100 52.037 0.056 0.000 0.676 886 A CB -0.561 18.471 19.000 0.053 0.000 0.818 886 A HN 0.650 nan 8.150 nan 0.000 0.453 887 E N 0.134 120.393 120.200 0.100 0.000 2.072 887 E HA -0.121 4.090 4.350 -0.233 0.000 0.191 887 E C 1.855 178.581 176.600 0.211 0.000 0.985 887 E CA 0.857 57.372 56.400 0.192 0.000 0.801 887 E CB -0.184 29.671 29.700 0.260 0.000 0.750 887 E HN 0.611 nan 8.360 nan 0.000 0.452 888 L N 1.101 122.355 121.223 0.051 0.000 2.042 888 L HA -0.221 3.979 4.340 -0.233 0.000 0.210 888 L C 2.283 179.083 176.870 -0.116 0.000 1.076 888 L CA 0.982 55.737 54.840 -0.141 0.000 0.749 888 L CB -0.516 41.423 42.059 -0.199 0.000 0.893 888 L HN 0.192 nan 8.230 nan 0.000 0.432 889 N N -0.943 117.738 118.700 -0.030 0.000 2.171 889 N HA -0.190 4.410 4.740 -0.233 0.000 0.184 889 N C 1.724 177.232 175.510 -0.003 0.000 1.021 889 N CA 1.160 54.206 53.050 -0.007 0.000 0.854 889 N CB -0.409 38.094 38.487 0.027 0.000 0.994 889 N HN 0.440 nan 8.380 nan 0.000 0.426 890 H N 0.082 119.095 119.070 -0.095 0.000 2.251 890 H HA -0.167 4.250 4.556 -0.233 0.000 0.294 890 H C 1.526 176.731 175.328 -0.206 0.000 1.078 890 H CA 2.130 58.061 56.048 -0.196 0.000 1.246 890 H CB -0.333 29.248 29.762 -0.301 0.000 1.358 890 H HN 0.193 nan 8.280 nan 0.000 0.488 891 Y N 0.103 120.477 120.300 0.123 0.000 2.333 891 Y HA -0.149 4.261 4.550 -0.233 0.000 0.290 891 Y C 2.983 178.864 175.900 -0.032 0.000 1.144 891 Y CA 1.134 59.261 58.100 0.045 0.000 1.228 891 Y CB -0.334 38.162 38.460 0.060 0.000 0.985 891 Y HN 0.221 nan 8.280 nan 0.000 0.542 892 S N -0.065 115.669 115.700 0.057 0.000 2.368 892 S HA -0.193 4.137 4.470 -0.233 0.000 0.225 892 S C 1.844 176.575 174.600 0.217 0.000 1.030 892 S CA 1.493 59.779 58.200 0.143 0.000 0.999 892 S CB -0.231 63.000 63.200 0.052 0.000 0.844 892 S HN 0.554 nan 8.310 nan 0.000 0.459 893 E N 0.728 120.983 120.200 0.092 0.000 2.110 893 E HA -0.127 4.083 4.350 -0.233 0.000 0.193 893 E C 2.070 178.723 176.600 0.089 0.000 0.988 893 E CA 0.708 57.160 56.400 0.086 0.000 0.804 893 E CB -0.337 29.235 29.700 -0.212 0.000 0.745 893 E HN 0.282 nan 8.360 nan 0.000 0.458 894 L N 1.183 122.400 121.223 -0.010 0.000 1.994 894 L HA -0.174 4.027 4.340 -0.233 0.000 0.208 894 L C 2.422 179.360 176.870 0.113 0.000 1.071 894 L CA 1.315 56.172 54.840 0.029 0.000 0.745 894 L CB -0.572 41.517 42.059 0.049 0.000 0.892 894 L HN -0.077 nan 8.230 nan 0.000 0.431 895 V N -0.545 119.463 119.914 0.156 0.000 2.282 895 V HA -0.415 3.565 4.120 -0.233 0.000 0.249 895 V C 2.546 178.757 176.094 0.194 0.000 1.057 895 V CA 2.155 64.559 62.300 0.173 0.000 1.032 895 V CB -0.808 31.136 31.823 0.201 0.000 0.645 895 V HN 0.641 nan 8.190 nan 0.000 0.447 896 Q N -0.365 119.570 119.800 0.226 0.000 2.045 896 Q HA -0.321 3.879 4.340 -0.233 0.000 0.206 896 Q C 2.355 178.420 176.000 0.108 0.000 0.991 896 Q CA 2.441 58.359 55.803 0.192 0.000 0.851 896 Q CB -0.175 28.717 28.738 0.257 0.000 0.911 896 Q HN 0.718 nan 8.270 nan 0.000 0.418 897 Q N -0.284 119.574 119.800 0.097 0.000 2.096 897 Q HA -0.160 4.040 4.340 -0.233 0.000 0.204 897 Q C 1.858 177.879 176.000 0.035 0.000 0.982 897 Q CA 1.586 57.407 55.803 0.030 0.000 0.850 897 Q CB 0.000 28.762 28.738 0.039 0.000 0.901 897 Q HN 0.441 nan 8.270 nan 0.000 0.422 898 N N 0.267 119.007 118.700 0.067 0.000 2.270 898 N HA -0.062 4.538 4.740 -0.233 0.000 0.181 898 N C 1.644 177.214 175.510 0.100 0.000 1.016 898 N CA 0.868 53.955 53.050 0.062 0.000 0.870 898 N CB -0.057 38.467 38.487 0.061 0.000 0.979 898 N HN 0.259 nan 8.380 nan 0.000 0.431 899 I N 1.261 121.934 120.570 0.171 0.000 2.226 899 I HA -0.195 3.836 4.170 -0.233 0.000 0.245 899 I C 1.940 178.215 176.117 0.264 0.000 1.100 899 I CA 1.076 62.566 61.300 0.317 0.000 1.374 899 I CB -0.073 38.086 38.000 0.264 0.000 1.057 899 I HN 0.064 nan 8.210 nan 0.000 0.413 900 E N 0.925 121.192 120.200 0.113 0.000 2.150 900 E HA -0.182 4.029 4.350 -0.233 0.000 0.193 900 E C 2.089 178.717 176.600 0.046 0.000 0.985 900 E CA 0.922 57.351 56.400 0.050 0.000 0.814 900 E CB -0.122 29.543 29.700 -0.059 0.000 0.752 900 E HN 0.472 nan 8.360 nan 0.000 0.466 901 K N 0.609 121.027 120.400 0.030 0.000 2.009 901 K HA -0.144 4.037 4.320 -0.233 0.000 0.210 901 K C 2.337 178.938 176.600 0.001 0.000 1.049 901 K CA 1.258 57.548 56.287 0.005 0.000 0.929 901 K CB -0.118 32.377 32.500 -0.009 0.000 0.714 901 K HN -0.062 nan 8.250 nan 0.000 0.440 902 R N 1.103 121.599 120.500 -0.008 0.000 2.075 902 R HA -0.077 4.123 4.340 -0.233 0.000 0.232 902 R C 2.195 178.526 176.300 0.052 0.000 1.126 902 R CA 1.193 57.212 56.100 -0.136 0.000 0.963 902 R CB -0.225 29.759 30.300 -0.526 0.000 0.858 902 R HN 0.137 nan 8.270 nan 0.000 0.435 903 I N 0.515 121.285 120.570 0.333 0.000 2.315 903 I HA -0.293 3.738 4.170 -0.233 0.000 0.251 903 I C 2.133 178.352 176.117 0.170 0.000 1.125 903 I CA 1.278 62.798 61.300 0.366 0.000 1.392 903 I CB -0.141 38.031 38.000 0.288 0.000 1.065 903 I HN 0.182 nan 8.210 nan 0.000 0.424 904 S N 0.335 116.088 115.700 0.088 0.000 2.377 904 S HA -0.159 4.171 4.470 -0.233 0.000 0.223 904 S C 1.880 176.496 174.600 0.026 0.000 1.030 904 S CA 1.384 59.609 58.200 0.041 0.000 0.970 904 S CB -0.250 62.958 63.200 0.012 0.000 0.830 904 S HN 0.610 nan 8.310 nan 0.000 0.473 905 E N 1.316 121.519 120.200 0.004 0.000 2.150 905 E HA -0.157 4.053 4.350 -0.233 0.000 0.193 905 E C 1.847 178.445 176.600 -0.003 0.000 0.985 905 E CA 1.689 58.080 56.400 -0.015 0.000 0.814 905 E CB -0.603 29.068 29.700 -0.049 0.000 0.752 905 E HN 0.630 nan 8.360 nan 0.000 0.466 906 T N -3.267 111.298 114.554 0.019 0.000 3.051 906 T HA 0.284 4.495 4.350 -0.233 0.000 0.255 906 T C 1.648 176.406 174.700 0.096 0.000 1.085 906 T CA 0.554 62.685 62.100 0.053 0.000 1.109 906 T CB 0.178 69.086 68.868 0.068 0.000 0.921 906 T HN 0.422 nan 8.240 nan 0.000 0.488 907 G N 0.677 109.539 108.800 0.104 0.000 2.179 907 G HA2 -0.197 3.624 3.960 -0.233 0.000 0.257 907 G HA3 -0.197 3.624 3.960 -0.233 0.000 0.257 907 G C 0.076 175.046 174.900 0.117 0.000 1.010 907 G CA 0.550 45.705 45.100 0.092 0.000 0.736 907 G HN 1.158 nan 8.290 nan 0.000 0.513 908 S N -1.836 113.981 115.700 0.196 0.000 2.556 908 S HA 0.733 5.064 4.470 -0.233 0.000 0.271 908 S C 0.778 175.523 174.600 0.241 0.000 1.135 908 S CA 0.867 59.185 58.200 0.196 0.000 0.858 908 S CB 1.541 64.865 63.200 0.207 0.000 1.114 908 S HN 1.166 nan 8.310 nan 0.000 0.468 909 T N -0.152 114.443 114.554 0.069 0.000 3.129 909 T HA 0.270 4.480 4.350 -0.233 0.000 0.267 909 T C 0.542 175.108 174.700 -0.224 0.000 1.018 909 T CA -0.086 61.934 62.100 -0.133 0.000 0.903 909 T CB -0.112 68.833 68.868 0.128 0.000 1.067 909 T HN 0.450 nan 8.240 nan 0.000 0.549 910 D N 2.214 122.576 120.400 -0.063 0.000 2.106 910 D HA -0.143 4.358 4.640 -0.233 0.000 0.191 910 D C 2.005 178.303 176.300 -0.003 0.000 0.997 910 D CA 1.780 55.761 54.000 -0.031 0.000 0.834 910 D CB -0.369 40.465 40.800 0.056 0.000 0.956 910 D HN 0.702 nan 8.370 nan 0.000 0.448 911 W N 1.032 122.390 121.300 0.096 0.000 2.321 911 W HA -0.180 4.340 4.660 -0.233 0.000 0.306 911 W C 1.765 178.387 176.519 0.172 0.000 1.217 911 W CA 0.239 57.654 57.345 0.116 0.000 1.257 911 W CB -1.387 28.134 29.460 0.101 0.000 1.145 911 W HN 0.015 nan 8.180 nan 0.000 0.509 912 L N 2.128 122.829 121.223 -0.870 0.000 2.093 912 L HA -0.063 4.138 4.340 -0.233 0.000 0.208 912 L C 2.918 179.825 176.870 0.060 0.000 1.085 912 L CA 1.688 56.114 54.840 -0.689 0.000 0.755 912 L CB -0.797 40.608 42.059 -1.089 0.000 0.904 912 L HN -0.221 nan 8.230 nan 0.000 0.435 913 R N -0.852 119.670 120.500 0.037 0.000 2.091 913 R HA -0.126 4.074 4.340 -0.233 0.000 0.238 913 R C 2.044 178.391 176.300 0.079 0.000 1.136 913 R CA 1.891 57.968 56.100 -0.040 0.000 0.959 913 R CB -1.373 28.707 30.300 -0.366 0.000 0.856 913 R HN 0.421 nan 8.270 nan 0.000 0.437 914 T N 1.946 116.556 114.554 0.094 0.000 2.770 914 T HA -0.104 4.106 4.350 -0.233 0.000 0.263 914 T C 1.886 176.725 174.700 0.232 0.000 1.039 914 T CA 0.951 63.146 62.100 0.158 0.000 1.142 914 T CB -0.281 68.682 68.868 0.159 0.000 0.868 914 T HN 0.093 nan 8.240 nan 0.000 0.435 915 L N 0.805 122.188 121.223 0.268 0.000 2.046 915 L HA -0.014 4.187 4.340 -0.233 0.000 0.208 915 L C 2.171 179.233 176.870 0.320 0.000 1.077 915 L CA 1.706 56.745 54.840 0.332 0.000 0.747 915 L CB -0.602 41.698 42.059 0.402 0.000 0.896 915 L HN 0.118 nan 8.230 nan 0.000 0.432 916 M N -1.339 118.450 119.600 0.314 0.000 2.175 916 M HA -0.181 4.159 4.480 -0.233 0.000 0.264 916 M C 2.348 178.843 176.300 0.324 0.000 1.063 916 M CA 1.566 57.081 55.300 0.358 0.000 1.119 916 M CB -1.508 31.336 32.600 0.408 0.000 1.377 916 M HN 0.440 nan 8.290 nan 0.000 0.415 917 H N 0.187 119.363 119.070 0.176 0.000 2.470 917 H HA 0.015 4.431 4.556 -0.233 0.000 0.289 917 H C 1.769 177.139 175.328 0.070 0.000 1.033 917 H CA 1.436 57.545 56.048 0.101 0.000 1.331 917 H CB 0.226 30.026 29.762 0.063 0.000 1.414 917 H HN 0.437 nan 8.280 nan 0.000 0.545 918 E N -0.810 119.432 120.200 0.070 0.000 2.106 918 E HA -0.139 4.071 4.350 -0.233 0.000 0.192 918 E C 1.477 177.971 176.600 -0.176 0.000 0.984 918 E CA 0.944 57.342 56.400 -0.004 0.000 0.806 918 E CB -0.118 29.675 29.700 0.156 0.000 0.750 918 E HN 0.450 nan 8.360 nan 0.000 0.458 919 F N 0.904 120.605 119.950 -0.415 0.000 2.128 919 F HA -0.151 4.236 4.527 -0.232 0.000 0.295 919 F C 1.998 177.630 175.800 -0.280 0.000 1.100 919 F CA 0.856 58.370 58.000 -0.810 0.000 1.260 919 F CB -0.523 38.082 39.000 -0.659 0.000 1.009 919 F HN -0.219 nan 8.300 nan 0.000 0.476 920 V N 0.178 119.899 119.914 -0.322 0.000 2.252 920 V HA -0.367 3.613 4.120 -0.233 0.000 0.249 920 V C 2.411 178.432 176.094 -0.123 0.000 1.056 920 V CA 2.578 64.759 62.300 -0.199 0.000 1.022 920 V CB -1.267 30.494 31.823 -0.104 0.000 0.641 920 V HN 0.453 nan 8.190 nan 0.000 0.445 921 T N -1.257 113.136 114.554 -0.268 0.000 2.896 921 T HA -0.232 3.978 4.350 -0.233 0.000 0.270 921 T C 1.750 176.391 174.700 -0.099 0.000 1.104 921 T CA 1.458 63.433 62.100 -0.209 0.000 1.115 921 T CB -0.240 68.454 68.868 -0.289 0.000 0.843 921 T HN 0.247 nan 8.240 nan 0.000 0.523 922 K N 1.039 121.363 120.400 -0.127 0.000 2.393 922 K HA 0.207 4.387 4.320 -0.233 0.000 0.193 922 K C 0.361 176.999 176.600 0.063 0.000 1.026 922 K CA 0.023 56.308 56.287 -0.003 0.000 1.064 922 K CB 0.330 32.860 32.500 0.050 0.000 0.833 922 K HN 0.282 nan 8.250 nan 0.000 0.521 923 N N 0.218 118.917 118.700 -0.002 0.000 2.434 923 N HA -0.034 4.567 4.740 -0.233 0.000 0.272 923 N C 0.556 176.027 175.510 -0.065 0.000 1.040 923 N CA 0.040 53.060 53.050 -0.050 0.000 0.956 923 N CB 1.784 40.133 38.487 -0.229 0.000 1.108 923 N HN -0.010 nan 8.380 nan 0.000 0.481 924 S N 3.341 118.982 115.700 -0.097 0.000 2.392 924 S HA -0.231 4.099 4.470 -0.233 0.000 0.232 924 S C 1.812 176.362 174.600 -0.084 0.000 1.041 924 S CA 1.516 59.667 58.200 -0.082 0.000 1.026 924 S CB -0.174 62.973 63.200 -0.089 0.000 0.845 924 S HN 0.701 nan 8.310 nan 0.000 0.465 925 M N -2.341 117.141 119.600 -0.198 0.000 2.562 925 M HA 0.191 4.531 4.480 -0.233 0.000 0.257 925 M C 0.348 176.642 176.300 -0.010 0.000 1.099 925 M CA 0.559 55.745 55.300 -0.190 0.000 1.099 925 M CB -0.117 32.248 32.600 -0.391 0.000 1.427 925 M HN 0.358 nan 8.290 nan 0.000 0.489 926 W N 2.793 124.119 121.300 0.044 0.000 2.599 926 W HA 0.342 4.862 4.660 -0.234 0.000 0.396 926 W C -0.406 176.090 176.519 -0.039 0.000 0.944 926 W CA -1.047 56.325 57.345 0.045 0.000 2.042 926 W CB -0.844 28.657 29.460 0.069 0.000 1.184 926 W HN 0.471 nan 8.180 nan 0.000 0.604 927 N N -0.956 117.818 118.700 0.124 0.000 3.157 927 N HA 0.181 4.781 4.740 -0.233 0.000 0.291 927 N C 0.862 176.372 175.510 0.001 0.000 1.515 927 N CA -0.639 52.432 53.050 0.036 0.000 0.807 927 N CB 0.328 38.810 38.487 -0.008 0.000 1.672 927 N HN -0.121 nan 8.380 nan 0.000 0.592 928 K N -1.252 119.088 120.400 -0.101 0.000 2.281 928 K HA -0.134 4.047 4.320 -0.233 0.000 0.203 928 K C -0.168 176.359 176.600 -0.121 0.000 1.046 928 K CA 1.620 57.791 56.287 -0.193 0.000 0.938 928 K CB -0.372 31.768 32.500 -0.599 0.000 0.737 928 K HN 0.376 nan 8.250 nan 0.000 0.458 929 D N 1.678 122.027 120.400 -0.084 0.000 2.221 929 D HA -0.125 4.375 4.640 -0.233 0.000 0.204 929 D C 1.596 177.871 176.300 -0.042 0.000 0.982 929 D CA 1.708 55.671 54.000 -0.061 0.000 0.857 929 D CB -0.039 40.732 40.800 -0.048 0.000 0.934 929 D HN 0.517 nan 8.370 nan 0.000 0.475 930 S N -0.702 114.984 115.700 -0.022 0.000 2.577 930 S HA 0.118 4.449 4.470 -0.233 0.000 0.219 930 S C 1.082 175.680 174.600 -0.004 0.000 0.962 930 S CA -0.290 57.909 58.200 -0.002 0.000 0.921 930 S CB 0.077 63.291 63.200 0.023 0.000 0.789 930 S HN 0.195 nan 8.310 nan 0.000 0.497 931 E N 1.785 121.960 120.200 -0.041 0.000 2.476 931 E HA 0.200 4.410 4.350 -0.233 0.000 0.196 931 E C -0.530 175.940 176.600 -0.215 0.000 1.029 931 E CA -0.466 55.880 56.400 -0.091 0.000 0.896 931 E CB -0.065 29.607 29.700 -0.047 0.000 1.012 931 E HN 0.390 nan 8.360 nan 0.000 0.475 932 N N 1.441 120.032 118.700 -0.182 0.000 2.671 932 N HA -0.150 4.451 4.740 -0.233 0.000 0.261 932 N C -0.510 174.766 175.510 -0.391 0.000 1.053 932 N CA 0.303 53.204 53.050 -0.249 0.000 0.732 932 N CB -0.897 37.382 38.487 -0.347 0.000 0.887 932 N HN -0.003 nan 8.380 nan 0.000 0.546 933 V N 0.915 120.669 119.914 -0.267 0.000 2.617 933 V HA 0.005 3.986 4.120 -0.233 0.000 0.304 933 V C 0.759 176.668 176.094 -0.307 0.000 1.040 933 V CA 0.770 62.884 62.300 -0.311 0.000 1.149 933 V CB 1.032 32.742 31.823 -0.188 0.000 0.914 933 V HN 0.343 nan 8.190 nan 0.000 0.487 934 D N 3.407 123.520 120.400 -0.479 0.000 2.886 934 D HA 0.234 4.734 4.640 -0.233 0.000 0.216 934 D C -0.943 175.145 176.300 -0.353 0.000 1.256 934 D CA -0.416 53.415 54.000 -0.281 0.000 0.844 934 D CB 1.662 42.297 40.800 -0.275 0.000 1.669 934 D HN 0.433 nan 8.370 nan 0.000 0.513 935 Y N 0.789 121.071 120.300 -0.029 0.000 2.584 935 Y HA 0.295 4.704 4.550 -0.235 0.000 0.254 935 Y C 1.513 177.441 175.900 0.046 0.000 1.177 935 Y CA -0.263 57.828 58.100 -0.015 0.000 1.216 935 Y CB 1.306 39.766 38.460 -0.000 0.000 1.172 935 Y HN 0.372 nan 8.280 nan 0.000 0.529 936 G N 0.299 109.223 108.800 0.206 0.000 2.491 936 G HA2 0.361 4.181 3.960 -0.233 0.000 0.238 936 G HA3 0.361 4.181 3.960 -0.233 0.000 0.238 936 G C 0.891 175.912 174.900 0.202 0.000 1.277 936 G CA 0.442 45.663 45.100 0.203 0.000 0.851 936 G HN 0.606 nan 8.290 nan 0.000 0.573 937 G N 0.487 109.393 108.800 0.176 0.000 2.591 937 G HA2 -0.276 3.544 3.960 -0.233 0.000 0.298 937 G HA3 -0.276 3.544 3.960 -0.233 0.000 0.298 937 G C 0.797 175.807 174.900 0.183 0.000 1.195 937 G CA 0.403 45.614 45.100 0.185 0.000 0.989 937 G HN 1.167 nan 8.290 nan 0.000 0.551 938 L N 1.275 122.635 121.223 0.228 0.000 2.848 938 L HA 0.256 4.457 4.340 -0.233 0.000 0.240 938 L C 1.155 178.218 176.870 0.322 0.000 1.232 938 L CA 0.057 55.032 54.840 0.226 0.000 1.031 938 L CB 0.270 42.431 42.059 0.170 0.000 1.338 938 L HN 0.457 nan 8.230 nan 0.000 0.509 939 Q N 0.687 120.611 119.800 0.207 0.000 3.184 939 Q HA 0.125 4.326 4.340 -0.233 0.000 0.288 939 Q C 1.236 177.152 176.000 -0.139 0.000 1.412 939 Q CA -0.137 55.570 55.803 -0.161 0.000 0.991 939 Q CB 0.410 28.967 28.738 -0.302 0.000 1.688 939 Q HN 0.585 nan 8.270 nan 0.000 0.554 940 L N 0.064 121.277 121.223 -0.018 0.000 2.201 940 L HA -0.181 4.019 4.340 -0.233 0.000 0.212 940 L C 1.437 178.401 176.870 0.157 0.000 1.105 940 L CA 1.312 56.224 54.840 0.120 0.000 0.775 940 L CB 0.025 42.084 42.059 0.001 0.000 0.913 940 L HN 0.514 nan 8.230 nan 0.000 0.440 941 Q N -0.570 119.156 119.800 -0.123 0.000 2.188 941 Q HA 0.215 4.415 4.340 -0.233 0.000 0.212 941 Q C 0.960 176.723 176.000 -0.396 0.000 0.846 941 Q CA 0.407 56.139 55.803 -0.118 0.000 0.989 941 Q CB 1.042 29.675 28.738 -0.176 0.000 1.114 941 Q HN 0.471 nan 8.270 nan 0.000 0.488 942 G N -0.083 108.223 108.800 -0.824 0.000 2.132 942 G HA2 -0.096 3.725 3.960 -0.233 0.000 0.234 942 G HA3 -0.096 3.725 3.960 -0.233 0.000 0.234 942 G C 0.259 174.645 174.900 -0.857 0.000 0.989 942 G CA -0.195 44.111 45.100 -1.324 0.000 0.676 942 G HN 0.746 nan 8.290 nan 0.000 0.522 943 G N -1.910 106.347 108.800 -0.904 0.000 2.317 943 G HA2 0.522 4.343 3.960 -0.233 0.000 0.445 943 G HA3 0.522 4.343 3.960 -0.233 0.000 0.445 943 G C -0.949 173.317 174.900 -1.057 0.000 1.486 943 G CA -0.366 44.197 45.100 -0.895 0.000 0.991 943 G HN 1.043 nan 8.290 nan 0.000 0.660 944 F N -0.563 119.124 119.950 -0.438 0.000 2.577 944 F HA 0.826 5.212 4.527 -0.235 0.000 0.318 944 F C 0.296 175.780 175.800 -0.526 0.000 1.065 944 F CA -1.017 56.665 58.000 -0.531 0.000 0.929 944 F CB 2.389 40.927 39.000 -0.771 0.000 1.237 944 F HN 0.395 nan 8.300 nan 0.000 0.468 945 L N 2.697 123.728 121.223 -0.320 0.000 2.376 945 L HA 0.481 4.681 4.340 -0.233 0.000 0.275 945 L C -0.567 176.101 176.870 -0.337 0.000 0.987 945 L CA -0.899 53.760 54.840 -0.301 0.000 0.828 945 L CB 1.955 43.820 42.059 -0.324 0.000 1.249 945 L HN 0.607 nan 8.230 nan 0.000 0.409 946 K N 1.446 121.700 120.400 -0.244 0.000 2.118 946 K HA 0.457 4.637 4.320 -0.233 0.000 0.267 946 K C -1.324 175.384 176.600 0.180 0.000 0.991 946 K CA -0.647 55.595 56.287 -0.074 0.000 0.916 946 K CB 1.139 33.678 32.500 0.064 0.000 1.041 946 K HN 0.192 nan 8.250 nan 0.000 0.455 947 Y N 1.534 121.899 120.300 0.109 0.000 2.327 947 Y HA 0.271 4.683 4.550 -0.230 0.000 0.336 947 Y C 0.281 176.220 175.900 0.065 0.000 1.035 947 Y CA -1.362 56.786 58.100 0.079 0.000 1.165 947 Y CB 1.408 39.941 38.460 0.122 0.000 1.181 947 Y HN 0.477 nan 8.280 nan 0.000 0.494 948 V N 0.819 120.840 119.914 0.179 0.000 2.864 948 V HA 0.624 4.604 4.120 -0.233 0.000 0.314 948 V C -0.246 175.868 176.094 0.033 0.000 1.073 948 V CA -1.363 60.993 62.300 0.094 0.000 0.956 948 V CB 1.898 33.763 31.823 0.069 0.000 1.023 948 V HN 0.586 nan 8.190 nan 0.000 0.435 949 N N 2.182 120.891 118.700 0.016 0.000 2.441 949 N HA 0.498 5.098 4.740 -0.233 0.000 0.251 949 N C -0.173 175.315 175.510 -0.037 0.000 1.242 949 N CA 0.394 53.431 53.050 -0.023 0.000 0.898 949 N CB 1.219 39.693 38.487 -0.021 0.000 1.100 949 N HN 1.043 nan 8.380 nan 0.000 0.443 950 S N -0.237 115.422 115.700 -0.069 0.000 2.552 950 S HA 0.222 4.552 4.470 -0.233 0.000 0.272 950 S C -0.270 174.282 174.600 -0.080 0.000 1.150 950 S CA -0.730 57.430 58.200 -0.067 0.000 0.849 950 S CB 0.873 64.020 63.200 -0.088 0.000 1.113 950 S HN 0.370 nan 8.310 nan 0.000 0.458 951 D N 2.115 122.488 120.400 -0.046 0.000 2.269 951 D HA 0.048 4.548 4.640 -0.233 0.000 0.208 951 D C 1.670 177.951 176.300 -0.031 0.000 0.963 951 D CA 0.867 54.846 54.000 -0.034 0.000 0.864 951 D CB 0.025 40.820 40.800 -0.007 0.000 0.936 951 D HN 0.498 nan 8.370 nan 0.000 0.505 952 L N 0.058 121.260 121.223 -0.035 0.000 2.395 952 L HA 0.004 4.205 4.340 -0.233 0.000 0.218 952 L C 0.995 177.855 176.870 -0.017 0.000 1.130 952 L CA 0.962 55.815 54.840 0.020 0.000 0.826 952 L CB -0.024 42.028 42.059 -0.011 0.000 0.941 952 L HN 0.035 nan 8.230 nan 0.000 0.451 953 T N -5.581 108.828 114.554 -0.242 0.000 4.003 953 T HA 0.197 4.407 4.350 -0.233 0.000 0.239 953 T C 0.643 174.823 174.700 -0.866 0.000 0.992 953 T CA -0.630 61.089 62.100 -0.636 0.000 1.317 953 T CB 0.280 68.854 68.868 -0.490 0.000 0.940 953 T HN -0.036 nan 8.240 nan 0.000 0.593 954 K N 0.550 120.604 120.400 -0.577 0.000 2.097 954 K HA -0.096 4.084 4.320 -0.233 0.000 0.206 954 K C 1.480 177.916 176.600 -0.273 0.000 1.049 954 K CA 1.927 58.034 56.287 -0.299 0.000 0.933 954 K CB -0.399 32.040 32.500 -0.103 0.000 0.717 954 K HN 0.784 nan 8.250 nan 0.000 0.442 955 Y N -1.222 119.068 120.300 -0.017 0.000 2.569 955 Y HA 0.011 4.421 4.550 -0.233 0.000 0.293 955 Y C 1.654 177.523 175.900 -0.052 0.000 1.144 955 Y CA 0.539 58.620 58.100 -0.031 0.000 1.321 955 Y CB -0.546 37.901 38.460 -0.022 0.000 0.982 955 Y HN -0.084 nan 8.280 nan 0.000 0.558 956 A N -0.402 122.273 122.820 -0.242 0.000 2.390 956 A HA 0.202 4.382 4.320 -0.233 0.000 0.232 956 A C 0.455 177.983 177.584 -0.093 0.000 1.233 956 A CA -0.498 51.472 52.037 -0.113 0.000 0.907 956 A CB -0.397 18.495 19.000 -0.181 0.000 0.967 956 A HN 0.295 nan 8.150 nan 0.000 0.512 957 N N 0.613 119.249 118.700 -0.107 0.000 2.371 957 N HA 0.361 4.961 4.740 -0.233 0.000 0.243 957 N C -0.214 175.295 175.510 -0.002 0.000 1.287 957 N CA 0.498 53.516 53.050 -0.052 0.000 0.911 957 N CB 0.759 39.208 38.487 -0.065 0.000 1.142 957 N HN 0.193 nan 8.380 nan 0.000 0.451 958 S N -0.954 114.760 115.700 0.023 0.000 2.537 958 S HA 0.261 4.591 4.470 -0.233 0.000 0.271 958 S C -0.785 173.813 174.600 -0.004 0.000 1.148 958 S CA -0.720 57.521 58.200 0.068 0.000 0.868 958 S CB 0.802 64.088 63.200 0.144 0.000 1.115 958 S HN 0.376 nan 8.310 nan 0.000 0.461 959 D N 1.782 122.136 120.400 -0.075 0.000 2.350 959 D HA 0.156 4.657 4.640 -0.233 0.000 0.213 959 D C 0.290 176.177 176.300 -0.687 0.000 1.031 959 D CA 0.511 54.276 54.000 -0.390 0.000 0.861 959 D CB 0.239 40.732 40.800 -0.512 0.000 0.926 959 D HN 0.531 nan 8.370 nan 0.000 0.520 960 W N 0.393 121.722 121.300 0.049 0.000 4.198 960 W HA 0.281 4.802 4.660 -0.232 0.000 0.630 960 W C 0.691 177.234 176.519 0.040 0.000 3.234 960 W CA -0.424 56.949 57.345 0.047 0.000 1.131 960 W CB -0.048 29.447 29.460 0.058 0.000 2.368 960 W HN -0.428 nan 8.180 nan 0.000 0.433 961 R N 0.697 121.380 120.500 0.306 0.000 3.416 961 R HA -0.188 4.012 4.340 -0.233 0.000 0.263 961 R C -0.907 175.457 176.300 0.107 0.000 1.053 961 R CA 0.144 56.339 56.100 0.158 0.000 0.705 961 R CB -2.680 27.702 30.300 0.137 0.000 1.124 961 R HN 0.226 nan 8.270 nan 0.000 0.444 962 L N 1.342 122.653 121.223 0.147 0.000 2.456 962 L HA 0.194 4.395 4.340 -0.233 0.000 0.277 962 L C 0.959 177.832 176.870 0.004 0.000 1.124 962 L CA 0.652 55.550 54.840 0.096 0.000 0.880 962 L CB 0.400 42.558 42.059 0.165 0.000 1.192 962 L HN 0.098 nan 8.230 nan 0.000 0.463 963 M N 3.875 123.455 119.600 -0.034 0.000 2.472 963 M HA 0.317 4.657 4.480 -0.233 0.000 0.331 963 M C 0.318 176.534 176.300 -0.140 0.000 1.170 963 M CA -0.565 54.658 55.300 -0.129 0.000 1.009 963 M CB 1.477 34.002 32.600 -0.124 0.000 1.672 963 M HN 0.583 nan 8.290 nan 0.000 0.453 964 N N 0.570 119.128 118.700 -0.237 0.000 2.741 964 N HA -0.145 4.455 4.740 -0.233 0.000 0.251 964 N C -0.815 174.609 175.510 -0.143 0.000 1.112 964 N CA 0.591 53.489 53.050 -0.252 0.000 0.750 964 N CB -1.094 37.246 38.487 -0.244 0.000 1.119 964 N HN 0.619 nan 8.380 nan 0.000 0.561 965 R N 1.362 121.795 120.500 -0.111 0.000 3.657 965 R HA 0.173 4.374 4.340 -0.233 0.000 0.220 965 R C 1.038 177.288 176.300 -0.083 0.000 1.548 965 R CA 0.103 56.163 56.100 -0.067 0.000 1.465 965 R CB -0.232 30.052 30.300 -0.027 0.000 1.330 965 R HN 0.402 nan 8.270 nan 0.000 0.707 966 T N -3.058 111.437 114.554 -0.099 0.000 2.888 966 T HA 0.392 4.602 4.350 -0.233 0.000 0.283 966 T C 1.599 176.181 174.700 -0.197 0.000 1.013 966 T CA -0.189 61.842 62.100 -0.114 0.000 0.938 966 T CB 1.144 69.963 68.868 -0.081 0.000 1.298 966 T HN 0.224 nan 8.240 nan 0.000 0.580 967 A N 0.441 123.097 122.820 -0.275 0.000 2.076 967 A HA -0.025 4.155 4.320 -0.233 0.000 0.220 967 A C 2.263 179.611 177.584 -0.393 0.000 1.160 967 A CA 2.077 53.741 52.037 -0.621 0.000 0.653 967 A CB -1.615 17.112 19.000 -0.455 0.000 0.801 967 A HN 1.042 nan 8.150 nan 0.000 0.455 968 T N -4.316 110.144 114.554 -0.156 0.000 3.086 968 T HA 0.170 4.380 4.350 -0.233 0.000 0.250 968 T C 0.598 175.280 174.700 -0.029 0.000 1.074 968 T CA 0.627 62.696 62.100 -0.052 0.000 0.988 968 T CB -0.092 68.787 68.868 0.019 0.000 0.988 968 T HN 0.318 nan 8.240 nan 0.000 0.530 969 N N 0.479 119.145 118.700 -0.057 0.000 2.622 969 N HA 0.296 4.896 4.740 -0.233 0.000 0.304 969 N C 0.811 176.306 175.510 -0.026 0.000 1.844 969 N CA -0.354 52.685 53.050 -0.018 0.000 0.886 969 N CB -0.039 38.448 38.487 -0.001 0.000 1.366 969 N HN 0.136 nan 8.380 nan 0.000 0.491 970 I N -0.088 120.459 120.570 -0.037 0.000 2.179 970 I HA -0.221 3.810 4.170 -0.233 0.000 0.242 970 I C 1.391 177.524 176.117 0.027 0.000 1.088 970 I CA 1.399 62.690 61.300 -0.014 0.000 1.357 970 I CB -0.695 37.308 38.000 0.005 0.000 1.051 970 I HN 0.354 nan 8.210 nan 0.000 0.409 971 D N 0.435 120.856 120.400 0.034 0.000 2.194 971 D HA -0.008 4.492 4.640 -0.233 0.000 0.204 971 D C 1.664 177.991 176.300 0.044 0.000 0.964 971 D CA 1.250 55.278 54.000 0.046 0.000 0.846 971 D CB -0.432 40.395 40.800 0.044 0.000 0.962 971 D HN 0.413 nan 8.370 nan 0.000 0.490 972 G N -0.193 108.630 108.800 0.039 0.000 2.148 972 G HA2 -0.241 3.579 3.960 -0.233 0.000 0.157 972 G HA3 -0.241 3.579 3.960 -0.233 0.000 0.157 972 G C 0.772 175.703 174.900 0.051 0.000 1.012 972 G CA 0.153 45.279 45.100 0.042 0.000 0.677 972 G HN 0.382 nan 8.290 nan 0.000 0.506 973 K N -0.384 120.046 120.400 0.050 0.000 2.353 973 K HA 0.201 4.381 4.320 -0.233 0.000 0.195 973 K C 0.942 177.581 176.600 0.065 0.000 1.031 973 K CA -0.005 56.313 56.287 0.052 0.000 1.079 973 K CB 0.223 32.749 32.500 0.042 0.000 0.857 973 K HN 0.329 nan 8.250 nan 0.000 0.535 974 N N -0.737 118.009 118.700 0.076 0.000 2.776 974 N HA 0.054 4.655 4.740 -0.233 0.000 0.319 974 N C 0.182 175.797 175.510 0.175 0.000 1.316 974 N CA -0.412 52.701 53.050 0.105 0.000 0.890 974 N CB -0.018 38.521 38.487 0.087 0.000 1.165 974 N HN -0.153 nan 8.380 nan 0.000 0.596 975 Y N 0.408 120.727 120.300 0.033 0.000 2.347 975 Y HA 0.234 4.644 4.550 -0.232 0.000 0.294 975 Y C 1.133 177.135 175.900 0.169 0.000 1.117 975 Y CA 1.194 59.322 58.100 0.048 0.000 1.184 975 Y CB -0.480 37.954 38.460 -0.043 0.000 1.047 975 Y HN 0.739 nan 8.280 nan 0.000 0.546 976 G N -0.188 108.687 108.800 0.124 0.000 2.877 976 G HA2 -0.113 3.707 3.960 -0.233 0.000 0.279 976 G HA3 -0.113 3.707 3.960 -0.233 0.000 0.279 976 G C 0.382 175.330 174.900 0.079 0.000 1.431 976 G CA -0.457 44.670 45.100 0.044 0.000 0.883 976 G HN 0.791 nan 8.290 nan 0.000 0.547 977 G N -0.621 108.166 108.800 -0.021 0.000 2.634 977 G HA2 0.682 4.503 3.960 -0.233 0.000 0.255 977 G HA3 0.682 4.503 3.960 -0.233 0.000 0.255 977 G C 0.650 175.279 174.900 -0.452 0.000 1.205 977 G CA 0.690 45.751 45.100 -0.066 0.000 0.884 977 G HN 2.116 nan 8.290 nan 0.000 0.549 978 A N -0.127 122.406 122.820 -0.479 0.000 2.404 978 A HA 0.415 4.596 4.320 -0.233 0.000 0.273 978 A C 1.203 178.460 177.584 -0.544 0.000 1.144 978 A CA 0.018 51.563 52.037 -0.819 0.000 0.806 978 A CB 0.587 19.417 19.000 -0.284 0.000 1.080 978 A HN 0.763 nan 8.150 nan 0.000 0.509 979 E N 2.471 122.289 120.200 -0.637 0.000 2.110 979 E HA -0.071 4.139 4.350 -0.233 0.000 0.193 979 E C -0.437 175.732 176.600 -0.718 0.000 0.988 979 E CA 1.192 57.213 56.400 -0.632 0.000 0.804 979 E CB -0.169 29.075 29.700 -0.760 0.000 0.745 979 E HN 0.633 nan 8.360 nan 0.000 0.458 980 F N -0.292 119.313 119.950 -0.574 0.000 2.394 980 F HA 0.313 4.701 4.527 -0.233 0.000 0.340 980 F C 0.824 176.204 175.800 -0.701 0.000 1.105 980 F CA -0.520 56.931 58.000 -0.915 0.000 1.124 980 F CB 1.486 39.456 39.000 -1.716 0.000 1.145 980 F HN -0.014 nan 8.300 nan 0.000 0.505 981 L N 2.372 123.427 121.223 -0.279 0.000 2.511 981 L HA 0.562 4.762 4.340 -0.233 0.000 0.173 981 L C -1.234 175.710 176.870 0.124 0.000 1.160 981 L CA 0.558 55.399 54.840 0.002 0.000 0.964 981 L CB 0.361 42.372 42.059 -0.080 0.000 1.892 981 L HN 0.415 nan 8.230 nan 0.000 0.497 982 L N -0.441 120.766 121.223 -0.028 0.000 2.466 982 L HA 0.716 4.917 4.340 -0.233 0.000 0.258 982 L C 0.254 176.939 176.870 -0.309 0.000 0.973 982 L CA -0.447 54.287 54.840 -0.178 0.000 0.826 982 L CB 1.824 43.697 42.059 -0.311 0.000 1.372 982 L HN 0.445 nan 8.230 nan 0.000 0.409 983 A N 2.515 125.082 122.820 -0.421 0.000 5.821 983 A HA -0.220 3.961 4.320 -0.233 0.000 0.282 983 A C -0.258 177.080 177.584 -0.409 0.000 2.032 983 A CA 0.683 52.343 52.037 -0.629 0.000 0.715 983 A CB -1.072 17.039 19.000 -1.481 0.000 1.178 983 A HN 0.811 nan 8.150 nan 0.000 0.370 984 N N 1.855 120.258 118.700 -0.495 0.000 2.402 984 N HA 0.347 4.947 4.740 -0.233 0.000 0.252 984 N C -0.871 174.450 175.510 -0.315 0.000 1.118 984 N CA 0.249 52.978 53.050 -0.534 0.000 0.945 984 N CB 0.561 38.454 38.487 -0.991 0.000 1.147 984 N HN 0.651 nan 8.380 nan 0.000 0.495 985 D N 2.304 122.612 120.400 -0.153 0.000 2.343 985 D HA 0.153 4.653 4.640 -0.233 0.000 0.255 985 D C 0.092 176.467 176.300 0.124 0.000 1.187 985 D CA -0.241 53.703 54.000 -0.093 0.000 0.875 985 D CB 0.684 41.345 40.800 -0.232 0.000 1.136 985 D HN 0.356 nan 8.370 nan 0.000 0.469 986 I N 3.118 123.720 120.570 0.052 0.000 2.533 986 I HA 0.007 4.037 4.170 -0.233 0.000 0.284 986 I C 0.427 176.524 176.117 -0.033 0.000 1.109 986 I CA -0.159 61.160 61.300 0.032 0.000 1.412 986 I CB 0.746 38.674 38.000 -0.119 0.000 1.396 986 I HN 0.424 nan 8.210 nan 0.000 0.543 987 D N 5.838 126.246 120.400 0.014 0.000 2.416 987 D HA 0.027 4.527 4.640 -0.233 0.000 0.240 987 D C 0.545 176.845 176.300 -0.001 0.000 1.250 987 D CA 0.234 54.245 54.000 0.017 0.000 0.967 987 D CB 0.036 40.902 40.800 0.111 0.000 1.059 987 D HN 0.382 nan 8.370 nan 0.000 0.512 988 N N 0.614 119.282 118.700 -0.053 0.000 2.383 988 N HA -0.062 4.538 4.740 -0.233 0.000 0.192 988 N C 1.346 176.811 175.510 -0.076 0.000 1.141 988 N CA 0.175 53.185 53.050 -0.067 0.000 0.851 988 N CB 0.405 38.835 38.487 -0.096 0.000 0.976 988 N HN 0.300 nan 8.380 nan 0.000 0.465 989 S N -0.855 114.819 115.700 -0.043 0.000 2.528 989 S HA 0.033 4.363 4.470 -0.233 0.000 0.219 989 S C 0.680 175.152 174.600 -0.213 0.000 0.985 989 S CA -0.322 57.857 58.200 -0.035 0.000 0.914 989 S CB -0.029 63.237 63.200 0.111 0.000 0.776 989 S HN 0.146 nan 8.310 nan 0.000 0.526 990 N N 3.225 121.811 118.700 -0.190 0.000 2.420 990 N HA 0.237 4.837 4.740 -0.233 0.000 0.262 990 N C -2.045 173.185 175.510 -0.468 0.000 1.144 990 N CA -1.770 51.020 53.050 -0.432 0.000 0.952 990 N CB 1.391 39.865 38.487 -0.021 0.000 1.081 990 N HN 0.018 nan 8.380 nan 0.000 0.480 991 P HA -0.170 nan 4.420 nan 0.000 0.217 991 P C 1.363 178.551 177.300 -0.187 0.000 1.151 991 P CA 0.918 63.776 63.100 -0.402 0.000 0.849 991 P CB 0.383 31.840 31.700 -0.406 0.000 0.787 992 V N -0.926 118.903 119.914 -0.142 0.000 2.515 992 V HA -0.157 3.823 4.120 -0.233 0.000 0.250 992 V C 2.428 178.442 176.094 -0.134 0.000 1.058 992 V CA 1.514 63.770 62.300 -0.073 0.000 1.064 992 V CB -1.037 30.788 31.823 0.004 0.000 0.675 992 V HN -0.013 nan 8.190 nan 0.000 0.461 993 V N -0.486 119.341 119.914 -0.146 0.000 2.453 993 V HA -0.246 3.734 4.120 -0.233 0.000 0.247 993 V C 2.439 178.508 176.094 -0.041 0.000 1.048 993 V CA 1.672 63.896 62.300 -0.125 0.000 1.049 993 V CB -0.555 31.239 31.823 -0.049 0.000 0.672 993 V HN 0.572 nan 8.190 nan 0.000 0.457 994 Q N -0.042 119.715 119.800 -0.072 0.000 2.084 994 Q HA -0.191 4.010 4.340 -0.233 0.000 0.202 994 Q C 2.437 178.440 176.000 0.005 0.000 0.978 994 Q CA 1.822 57.595 55.803 -0.050 0.000 0.844 994 Q CB -0.411 28.248 28.738 -0.131 0.000 0.898 994 Q HN 0.667 nan 8.270 nan 0.000 0.426 995 A N 1.132 123.953 122.820 0.003 0.000 1.933 995 A HA -0.243 3.937 4.320 -0.233 0.000 0.218 995 A C 1.947 179.600 177.584 0.114 0.000 1.175 995 A CA 1.772 53.849 52.037 0.066 0.000 0.628 995 A CB -0.423 18.638 19.000 0.102 0.000 0.814 995 A HN 0.323 nan 8.150 nan 0.000 0.444 996 E N 0.425 120.673 120.200 0.079 0.000 2.150 996 E HA -0.149 4.061 4.350 -0.233 0.000 0.193 996 E C 1.712 178.501 176.600 0.315 0.000 0.985 996 E CA 1.401 57.886 56.400 0.141 0.000 0.814 996 E CB -0.221 29.474 29.700 -0.008 0.000 0.752 996 E HN 0.551 nan 8.360 nan 0.000 0.466 997 E N 0.096 120.483 120.200 0.311 0.000 2.150 997 E HA -0.139 4.071 4.350 -0.233 0.000 0.193 997 E C 2.030 178.934 176.600 0.506 0.000 0.985 997 E CA 0.783 57.495 56.400 0.521 0.000 0.814 997 E CB -0.333 29.632 29.700 0.442 0.000 0.752 997 E HN 0.320 nan 8.360 nan 0.000 0.466 998 L N 1.479 122.865 121.223 0.272 0.000 2.109 998 L HA -0.059 4.142 4.340 -0.233 0.000 0.207 998 L C 1.878 178.837 176.870 0.150 0.000 1.086 998 L CA 1.733 56.636 54.840 0.105 0.000 0.760 998 L CB -0.745 41.319 42.059 0.009 0.000 0.910 998 L HN -0.020 nan 8.230 nan 0.000 0.437 999 N N -1.257 117.620 118.700 0.295 0.000 2.061 999 N HA -0.313 4.288 4.740 -0.233 0.000 0.193 999 N C 1.711 177.586 175.510 0.610 0.000 1.030 999 N CA 2.039 55.357 53.050 0.447 0.000 0.856 999 N CB -0.484 38.276 38.487 0.455 0.000 1.023 999 N HN 0.562 nan 8.380 nan 0.000 0.424 1000 W N 0.727 122.256 121.300 0.382 0.000 2.381 1000 W HA 0.001 4.523 4.660 -0.230 0.000 0.301 1000 W C 1.905 178.529 176.519 0.175 0.000 1.205 1000 W CA 0.531 58.029 57.345 0.255 0.000 1.285 1000 W CB -0.980 28.565 29.460 0.141 0.000 1.133 1000 W HN 0.221 nan 8.180 nan 0.000 0.521 1001 L N 0.243 121.503 121.223 0.063 0.000 2.042 1001 L HA -0.218 3.982 4.340 -0.233 0.000 0.210 1001 L C 2.421 179.142 176.870 -0.250 0.000 1.076 1001 L CA 2.267 56.872 54.840 -0.391 0.000 0.749 1001 L CB -1.707 40.008 42.059 -0.574 0.000 0.893 1001 L HN 0.177 nan 8.230 nan 0.000 0.432 1002 Y N -1.535 118.587 120.300 -0.297 0.000 2.181 1002 Y HA -0.337 4.073 4.550 -0.233 0.000 0.288 1002 Y C 2.542 178.333 175.900 -0.182 0.000 1.146 1002 Y CA 2.071 59.993 58.100 -0.297 0.000 1.164 1002 Y CB -0.588 37.719 38.460 -0.255 0.000 0.982 1002 Y HN 0.375 nan 8.280 nan 0.000 0.515 1003 Y N 0.383 120.598 120.300 -0.141 0.000 2.097 1003 Y HA -0.315 4.093 4.550 -0.235 0.000 0.282 1003 Y C 2.063 177.928 175.900 -0.058 0.000 1.152 1003 Y CA 2.215 60.214 58.100 -0.169 0.000 1.136 1003 Y CB -0.685 37.927 38.460 0.254 0.000 0.975 1003 Y HN 0.154 nan 8.280 nan 0.000 0.498 1004 L N -0.808 120.392 121.223 -0.038 0.000 2.046 1004 L HA -0.265 3.936 4.340 -0.233 0.000 0.208 1004 L C 2.316 179.204 176.870 0.031 0.000 1.077 1004 L CA 1.213 55.997 54.840 -0.093 0.000 0.747 1004 L CB -0.582 41.267 42.059 -0.349 0.000 0.896 1004 L HN 0.278 nan 8.230 nan 0.000 0.432 1005 M N -0.730 118.817 119.600 -0.089 0.000 2.549 1005 M HA -0.077 4.264 4.480 -0.233 0.000 0.260 1005 M C 0.799 177.025 176.300 -0.125 0.000 1.076 1005 M CA 1.256 56.531 55.300 -0.041 0.000 1.090 1005 M CB -0.854 31.728 32.600 -0.030 0.000 1.418 1005 M HN 0.334 nan 8.290 nan 0.000 0.486 1006 N N -1.117 117.416 118.700 -0.279 0.000 2.299 1006 N HA 0.062 4.663 4.740 -0.233 0.000 0.246 1006 N C 0.880 176.237 175.510 -0.255 0.000 1.254 1006 N CA -0.031 52.825 53.050 -0.324 0.000 0.879 1006 N CB 0.401 38.507 38.487 -0.635 0.000 1.214 1006 N HN 0.135 nan 8.380 nan 0.000 0.510 1007 F N 2.313 122.057 119.950 -0.345 0.000 2.091 1007 F HA -0.119 4.272 4.527 -0.226 0.000 0.299 1007 F C 2.235 177.857 175.800 -0.297 0.000 1.103 1007 F CA 1.973 59.715 58.000 -0.429 0.000 1.228 1007 F CB -0.366 38.440 39.000 -0.323 0.000 0.984 1007 F HN 0.048 nan 8.300 nan 0.000 0.477 1008 G N -1.185 107.490 108.800 -0.209 0.000 2.408 1008 G HA2 -0.200 3.621 3.960 -0.233 0.000 0.217 1008 G HA3 -0.200 3.621 3.960 -0.233 0.000 0.217 1008 G C 1.576 176.347 174.900 -0.215 0.000 1.150 1008 G CA 1.266 46.221 45.100 -0.241 0.000 0.776 1008 G HN 0.420 nan 8.290 nan 0.000 0.542 1009 T N 1.666 116.123 114.554 -0.162 0.000 2.614 1009 T HA -0.102 4.109 4.350 -0.233 0.000 0.263 1009 T C 2.376 177.016 174.700 -0.101 0.000 1.055 1009 T CA 1.226 63.265 62.100 -0.103 0.000 1.162 1009 T CB -0.283 68.543 68.868 -0.070 0.000 0.863 1009 T HN 0.227 nan 8.240 nan 0.000 0.414 1010 I N 1.819 122.309 120.570 -0.135 0.000 2.118 1010 I HA -0.229 3.801 4.170 -0.233 0.000 0.241 1010 I C 2.886 178.965 176.117 -0.064 0.000 1.070 1010 I CA 1.867 63.143 61.300 -0.041 0.000 1.327 1010 I CB -0.719 37.225 38.000 -0.092 0.000 1.034 1010 I HN 0.455 nan 8.210 nan 0.000 0.405 1011 T N -3.082 111.280 114.554 -0.320 0.000 3.051 1011 T HA 0.174 4.384 4.350 -0.233 0.000 0.255 1011 T C 1.367 175.953 174.700 -0.190 0.000 1.085 1011 T CA 0.663 62.590 62.100 -0.288 0.000 1.109 1011 T CB 0.341 68.796 68.868 -0.688 0.000 0.921 1011 T HN 0.415 nan 8.240 nan 0.000 0.488 1012 G N 0.394 109.073 108.800 -0.202 0.000 4.385 1012 G HA2 0.295 4.116 3.960 -0.233 0.000 0.283 1012 G HA3 0.295 4.116 3.960 -0.233 0.000 0.283 1012 G C -0.021 174.834 174.900 -0.075 0.000 1.020 1012 G CA -0.710 44.320 45.100 -0.117 0.000 0.790 1012 G HN 0.305 nan 8.290 nan 0.000 0.420 1013 N N 0.525 119.189 118.700 -0.060 0.000 2.689 1013 N HA -0.214 4.386 4.740 -0.233 0.000 0.263 1013 N C -0.513 174.971 175.510 -0.043 0.000 0.987 1013 N CA 0.776 53.804 53.050 -0.035 0.000 0.782 1013 N CB -0.482 37.998 38.487 -0.011 0.000 0.903 1013 N HN 0.369 nan 8.380 nan 0.000 0.547 1014 N N -0.280 118.382 118.700 -0.064 0.000 2.648 1014 N HA 0.289 4.889 4.740 -0.233 0.000 0.261 1014 N C -2.173 173.306 175.510 -0.052 0.000 1.138 1014 N CA -2.024 50.992 53.050 -0.058 0.000 0.804 1014 N CB 1.201 39.643 38.487 -0.074 0.000 1.237 1014 N HN -0.060 nan 8.380 nan 0.000 0.532 1015 P HA -0.082 nan 4.420 nan 0.000 0.226 1015 P C 0.352 177.643 177.300 -0.016 0.000 1.146 1015 P CA 1.014 64.098 63.100 -0.028 0.000 0.773 1015 P CB 0.634 32.320 31.700 -0.022 0.000 0.772 1016 E N -0.872 119.331 120.200 0.005 0.000 2.474 1016 E HA 0.180 4.390 4.350 -0.233 0.000 0.195 1016 E C 1.112 177.803 176.600 0.151 0.000 1.039 1016 E CA 0.056 56.507 56.400 0.085 0.000 0.881 1016 E CB 0.199 29.931 29.700 0.053 0.000 0.970 1016 E HN 0.155 nan 8.360 nan 0.000 0.486 1017 A N 1.315 124.143 122.820 0.013 0.000 2.827 1017 A HA 0.211 4.392 4.320 -0.233 0.000 0.300 1017 A C 0.029 177.551 177.584 -0.103 0.000 1.237 1017 A CA -0.466 51.519 52.037 -0.088 0.000 0.964 1017 A CB -0.149 18.784 19.000 -0.112 0.000 1.143 1017 A HN -0.089 nan 8.150 nan 0.000 0.554 1018 N N -0.370 118.332 118.700 0.004 0.000 2.430 1018 N HA 0.551 5.152 4.740 -0.233 0.000 0.298 1018 N C -0.741 174.766 175.510 -0.004 0.000 1.130 1018 N CA -0.268 52.775 53.050 -0.013 0.000 0.894 1018 N CB 0.818 39.318 38.487 0.021 0.000 1.209 1018 N HN 0.196 nan 8.380 nan 0.000 0.503 1019 F N 0.348 120.301 119.950 0.005 0.000 2.444 1019 F HA 0.128 4.520 4.527 -0.225 0.000 0.331 1019 F C 1.823 177.649 175.800 0.044 0.000 1.167 1019 F CA 0.222 58.219 58.000 -0.005 0.000 1.262 1019 F CB 0.781 39.732 39.000 -0.082 0.000 1.196 1019 F HN 0.413 nan 8.300 nan 0.000 0.583 1020 D N -0.059 120.518 120.400 0.295 0.000 2.454 1020 D HA 0.198 4.699 4.640 -0.233 0.000 0.219 1020 D C 0.748 177.226 176.300 0.296 0.000 1.081 1020 D CA 0.427 54.551 54.000 0.208 0.000 0.867 1020 D CB 0.952 41.812 40.800 0.099 0.000 1.054 1020 D HN 0.612 nan 8.370 nan 0.000 0.500 1021 G N 0.975 109.926 108.800 0.253 0.000 2.766 1021 G HA2 0.635 4.455 3.960 -0.233 0.000 0.288 1021 G HA3 0.635 4.455 3.960 -0.233 0.000 0.288 1021 G C -1.320 173.637 174.900 0.094 0.000 1.408 1021 G CA -0.764 44.475 45.100 0.232 0.000 0.852 1021 G HN 0.080 nan 8.290 nan 0.000 0.487 1022 I N -2.340 118.230 120.570 -0.001 0.000 2.689 1022 I HA 0.753 4.783 4.170 -0.233 0.000 0.299 1022 I C -0.397 175.683 176.117 -0.062 0.000 1.059 1022 I CA -1.251 60.001 61.300 -0.081 0.000 1.055 1022 I CB 2.574 40.488 38.000 -0.144 0.000 1.243 1022 I HN 0.475 nan 8.210 nan 0.000 0.425 1023 R N 4.389 124.870 120.500 -0.031 0.000 2.229 1023 R HA 0.583 4.783 4.340 -0.233 0.000 0.328 1023 R C -1.356 175.016 176.300 0.120 0.000 1.009 1023 R CA -0.581 55.523 56.100 0.007 0.000 0.864 1023 R CB 1.523 31.829 30.300 0.010 0.000 1.085 1023 R HN 0.696 nan 8.270 nan 0.000 0.453 1024 V N 5.353 125.349 119.914 0.137 0.000 2.370 1024 V HA 0.028 4.009 4.120 -0.233 0.000 0.257 1024 V C 0.403 176.570 176.094 0.121 0.000 1.064 1024 V CA -0.504 61.920 62.300 0.207 0.000 0.975 1024 V CB 0.081 32.035 31.823 0.218 0.000 1.067 1024 V HN 0.726 nan 8.190 nan 0.000 0.485 1025 N N 4.143 122.918 118.700 0.124 0.000 2.518 1025 N HA 0.380 4.980 4.740 -0.233 0.000 0.266 1025 N C 0.715 176.262 175.510 0.062 0.000 1.196 1025 N CA 0.700 53.824 53.050 0.123 0.000 0.947 1025 N CB 0.692 39.305 38.487 0.210 0.000 1.098 1025 N HN 1.041 nan 8.380 nan 0.000 0.450 1026 A N 1.828 124.701 122.820 0.088 0.000 2.610 1026 A HA -0.163 4.017 4.320 -0.233 0.000 0.299 1026 A C 1.253 178.858 177.584 0.035 0.000 1.487 1026 A CA 0.818 52.903 52.037 0.081 0.000 0.743 1026 A CB -2.146 16.876 19.000 0.036 0.000 1.070 1026 A HN 0.515 nan 8.150 nan 0.000 0.439 1027 V N 0.055 119.999 119.914 0.050 0.000 2.343 1027 V HA -0.214 3.766 4.120 -0.233 0.000 0.247 1027 V C 1.893 178.000 176.094 0.022 0.000 1.051 1027 V CA 2.309 64.627 62.300 0.031 0.000 1.036 1027 V CB -0.406 31.448 31.823 0.051 0.000 0.654 1027 V HN 0.729 nan 8.190 nan 0.000 0.451 1028 D N 0.124 120.562 120.400 0.062 0.000 2.338 1028 D HA -0.021 4.480 4.640 -0.233 0.000 0.239 1028 D C 1.010 177.287 176.300 -0.039 0.000 1.095 1028 D CA 0.530 54.552 54.000 0.038 0.000 0.888 1028 D CB -0.435 40.433 40.800 0.113 0.000 0.899 1028 D HN 0.604 nan 8.370 nan 0.000 0.525 1029 N N -0.761 117.898 118.700 -0.067 0.000 2.170 1029 N HA 0.080 4.680 4.740 -0.233 0.000 0.222 1029 N C -0.173 175.221 175.510 -0.193 0.000 1.218 1029 N CA -0.157 52.803 53.050 -0.150 0.000 0.889 1029 N CB 1.604 40.018 38.487 -0.122 0.000 1.083 1029 N HN -0.035 nan 8.380 nan 0.000 0.520 1030 V N -3.136 116.688 119.914 -0.151 0.000 3.160 1030 V HA 0.476 4.456 4.120 -0.233 0.000 0.310 1030 V C -1.015 175.006 176.094 -0.123 0.000 1.181 1030 V CA -1.221 60.984 62.300 -0.158 0.000 1.047 1030 V CB 1.717 33.448 31.823 -0.154 0.000 1.068 1030 V HN -0.143 nan 8.190 nan 0.000 0.441 1031 D N 1.089 121.422 120.400 -0.111 0.000 2.412 1031 D HA 0.042 4.543 4.640 -0.233 0.000 0.257 1031 D C 0.867 177.141 176.300 -0.043 0.000 1.217 1031 D CA 0.635 54.592 54.000 -0.073 0.000 0.897 1031 D CB 1.480 42.244 40.800 -0.059 0.000 1.132 1031 D HN 0.573 nan 8.370 nan 0.000 0.493 1032 V N 4.162 124.061 119.914 -0.026 0.000 3.186 1032 V HA -0.193 3.787 4.120 -0.233 0.000 0.270 1032 V C 1.212 177.353 176.094 0.077 0.000 1.149 1032 V CA 1.433 63.747 62.300 0.023 0.000 1.160 1032 V CB -0.357 31.451 31.823 -0.026 0.000 0.758 1032 V HN 0.551 nan 8.190 nan 0.000 0.516 1033 D N 0.009 120.435 120.400 0.043 0.000 2.190 1033 D HA -0.200 4.301 4.640 -0.233 0.000 0.200 1033 D C 2.048 178.312 176.300 -0.060 0.000 0.992 1033 D CA 1.386 55.398 54.000 0.019 0.000 0.854 1033 D CB -0.156 40.623 40.800 -0.036 0.000 0.936 1033 D HN 0.435 nan 8.370 nan 0.000 0.462 1034 L N 0.316 121.530 121.223 -0.014 0.000 2.079 1034 L HA -0.182 4.018 4.340 -0.233 0.000 0.210 1034 L C 2.542 179.508 176.870 0.160 0.000 1.081 1034 L CA 0.711 55.593 54.840 0.071 0.000 0.752 1034 L CB -0.402 41.691 42.059 0.057 0.000 0.896 1034 L HN 0.101 nan 8.230 nan 0.000 0.433 1035 L N -1.336 119.974 121.223 0.145 0.000 2.083 1035 L HA -0.180 4.020 4.340 -0.233 0.000 0.209 1035 L C 2.665 179.601 176.870 0.111 0.000 1.083 1035 L CA 1.021 55.952 54.840 0.151 0.000 0.752 1035 L CB -0.569 41.593 42.059 0.172 0.000 0.899 1035 L HN 0.191 nan 8.230 nan 0.000 0.433 1036 S N 0.039 115.811 115.700 0.120 0.000 2.387 1036 S HA -0.044 4.286 4.470 -0.233 0.000 0.226 1036 S C 1.961 176.641 174.600 0.134 0.000 1.026 1036 S CA 0.946 59.246 58.200 0.167 0.000 0.972 1036 S CB -0.094 63.298 63.200 0.320 0.000 0.814 1036 S HN 0.246 nan 8.310 nan 0.000 0.477 1037 I N 1.578 122.086 120.570 -0.102 0.000 2.252 1037 I HA -0.159 3.871 4.170 -0.233 0.000 0.245 1037 I C 2.613 178.752 176.117 0.037 0.000 1.102 1037 I CA 1.081 62.284 61.300 -0.162 0.000 1.385 1037 I CB -0.417 37.387 38.000 -0.327 0.000 1.064 1037 I HN 0.235 nan 8.210 nan 0.000 0.414 1038 A N 0.804 123.656 122.820 0.053 0.000 1.940 1038 A HA -0.256 3.924 4.320 -0.233 0.000 0.219 1038 A C 2.462 180.114 177.584 0.114 0.000 1.176 1038 A CA 1.894 53.956 52.037 0.042 0.000 0.631 1038 A CB -0.675 18.259 19.000 -0.110 0.000 0.814 1038 A HN 0.402 nan 8.150 nan 0.000 0.446 1039 R N -0.258 120.276 120.500 0.056 0.000 2.062 1039 R HA -0.168 4.032 4.340 -0.233 0.000 0.231 1039 R C 1.416 177.759 176.300 0.072 0.000 1.136 1039 R CA 1.925 58.046 56.100 0.034 0.000 0.948 1039 R CB -0.509 29.807 30.300 0.026 0.000 0.845 1039 R HN 0.393 nan 8.270 nan 0.000 0.430 1040 D N -0.232 120.227 120.400 0.099 0.000 2.149 1040 D HA -0.213 4.288 4.640 -0.233 0.000 0.198 1040 D C 1.613 177.923 176.300 0.018 0.000 0.990 1040 D CA 1.339 55.383 54.000 0.073 0.000 0.839 1040 D CB -0.462 40.429 40.800 0.152 0.000 0.948 1040 D HN 0.380 nan 8.370 nan 0.000 0.460 1041 Y N 0.097 120.377 120.300 -0.032 0.000 2.220 1041 Y HA -0.118 4.290 4.550 -0.236 0.000 0.291 1041 Y C 1.939 177.700 175.900 -0.231 0.000 1.129 1041 Y CA 1.104 59.120 58.100 -0.141 0.000 1.161 1041 Y CB -0.550 37.865 38.460 -0.076 0.000 0.997 1041 Y HN -0.171 nan 8.280 nan 0.000 0.522 1042 F N 1.076 120.724 119.950 -0.503 0.000 2.216 1042 F HA -0.191 4.201 4.527 -0.225 0.000 0.300 1042 F C 2.076 177.607 175.800 -0.448 0.000 1.085 1042 F CA 1.555 59.250 58.000 -0.509 0.000 1.326 1042 F CB -0.616 38.288 39.000 -0.160 0.000 1.027 1042 F HN 0.143 nan 8.300 nan 0.000 0.497 1043 N N -0.025 118.583 118.700 -0.153 0.000 2.244 1043 N HA -0.090 4.510 4.740 -0.233 0.000 0.183 1043 N C 1.984 177.322 175.510 -0.286 0.000 1.016 1043 N CA 1.247 54.200 53.050 -0.162 0.000 0.866 1043 N CB -0.559 37.877 38.487 -0.085 0.000 0.980 1043 N HN 0.266 nan 8.380 nan 0.000 0.430 1044 A N 0.390 122.933 122.820 -0.461 0.000 1.930 1044 A HA 0.246 4.426 4.320 -0.233 0.000 0.215 1044 A C 2.213 179.259 177.584 -0.897 0.000 1.176 1044 A CA 1.468 53.133 52.037 -0.619 0.000 0.632 1044 A CB -0.479 18.082 19.000 -0.732 0.000 0.819 1044 A HN 0.279 nan 8.150 nan 0.000 0.445 1045 A N -2.065 120.017 122.820 -1.230 0.000 1.975 1045 A HA 0.234 4.414 4.320 -0.233 0.000 0.215 1045 A C 1.598 178.616 177.584 -0.944 0.000 1.170 1045 A CA 1.235 52.527 52.037 -1.241 0.000 0.656 1045 A CB -0.266 17.582 19.000 -1.919 0.000 0.821 1045 A HN 0.548 nan 8.150 nan 0.000 0.449 1046 Y N -2.522 117.520 120.300 -0.430 0.000 2.499 1046 Y HA 0.285 4.695 4.550 -0.234 0.000 0.253 1046 Y C 0.530 176.336 175.900 -0.157 0.000 1.105 1046 Y CA -0.893 57.025 58.100 -0.304 0.000 1.240 1046 Y CB -0.125 38.016 38.460 -0.532 0.000 1.289 1046 Y HN 0.310 nan 8.280 nan 0.000 0.534 1047 N N 0.544 119.201 118.700 -0.072 0.000 2.727 1047 N HA -0.176 4.425 4.740 -0.233 0.000 0.251 1047 N C 0.720 176.220 175.510 -0.016 0.000 1.040 1047 N CA 0.429 53.451 53.050 -0.046 0.000 0.712 1047 N CB -0.774 37.695 38.487 -0.029 0.000 0.912 1047 N HN 0.158 nan 8.380 nan 0.000 0.545 1048 M N -0.084 119.512 119.600 -0.006 0.000 2.159 1048 M HA -0.085 4.255 4.480 -0.233 0.000 0.263 1048 M C 1.395 177.663 176.300 -0.054 0.000 1.063 1048 M CA 1.543 56.838 55.300 -0.008 0.000 1.110 1048 M CB -0.397 32.194 32.600 -0.015 0.000 1.374 1048 M HN 0.343 nan 8.290 nan 0.000 0.411 1049 E N -0.804 119.374 120.200 -0.036 0.000 2.474 1049 E HA -0.114 4.096 4.350 -0.233 0.000 0.194 1049 E C 1.776 178.365 176.600 -0.019 0.000 1.041 1049 E CA -0.083 56.334 56.400 0.027 0.000 0.874 1049 E CB 0.149 29.867 29.700 0.031 0.000 0.914 1049 E HN 0.315 nan 8.360 nan 0.000 0.498 1050 Q N 1.432 121.163 119.800 -0.115 0.000 2.045 1050 Q HA -0.148 4.053 4.340 -0.233 0.000 0.206 1050 Q C 0.549 176.289 176.000 -0.434 0.000 0.991 1050 Q CA 1.717 57.415 55.803 -0.176 0.000 0.851 1050 Q CB 0.134 28.803 28.738 -0.115 0.000 0.911 1050 Q HN 0.196 nan 8.270 nan 0.000 0.418 1051 S N -2.676 112.640 115.700 -0.640 0.000 2.611 1051 S HA 0.308 4.639 4.470 -0.233 0.000 0.268 1051 S C -0.251 174.057 174.600 -0.488 0.000 1.156 1051 S CA -0.412 57.335 58.200 -0.754 0.000 0.817 1051 S CB 0.432 63.467 63.200 -0.275 0.000 1.122 1051 S HN 0.121 nan 8.310 nan 0.000 0.466 1052 D N 1.345 121.667 120.400 -0.131 0.000 2.117 1052 D HA 0.001 4.501 4.640 -0.233 0.000 0.197 1052 D C 2.231 178.551 176.300 0.032 0.000 0.987 1052 D CA 1.956 56.009 54.000 0.088 0.000 0.829 1052 D CB -0.844 40.046 40.800 0.149 0.000 0.961 1052 D HN 0.709 nan 8.370 nan 0.000 0.460 1053 A N 0.988 123.802 122.820 -0.011 0.000 1.883 1053 A HA -0.211 3.969 4.320 -0.233 0.000 0.217 1053 A C 2.379 179.957 177.584 -0.009 0.000 1.186 1053 A CA 2.764 54.797 52.037 -0.007 0.000 0.624 1053 A CB -0.750 18.240 19.000 -0.018 0.000 0.822 1053 A HN 0.352 nan 8.150 nan 0.000 0.444 1054 S N -0.175 115.509 115.700 -0.026 0.000 2.371 1054 S HA 0.136 4.467 4.470 -0.233 0.000 0.224 1054 S C 2.158 176.793 174.600 0.059 0.000 1.029 1054 S CA 1.299 59.506 58.200 0.011 0.000 0.978 1054 S CB -0.664 62.535 63.200 -0.002 0.000 0.833 1054 S HN 0.925 nan 8.310 nan 0.000 0.466 1055 A N 3.052 125.883 122.820 0.019 0.000 1.883 1055 A HA -0.112 4.069 4.320 -0.233 0.000 0.217 1055 A C 1.959 179.638 177.584 0.160 0.000 1.186 1055 A CA 1.896 53.944 52.037 0.018 0.000 0.624 1055 A CB -1.166 17.773 19.000 -0.101 0.000 0.822 1055 A HN 0.607 nan 8.150 nan 0.000 0.444 1056 N N -0.507 118.289 118.700 0.160 0.000 2.609 1056 N HA -0.047 4.553 4.740 -0.233 0.000 0.190 1056 N C 1.219 176.760 175.510 0.052 0.000 1.157 1056 N CA 0.869 54.023 53.050 0.174 0.000 0.918 1056 N CB -0.196 38.367 38.487 0.127 0.000 0.978 1056 N HN 0.612 nan 8.380 nan 0.000 0.448 1057 K N 0.112 120.487 120.400 -0.041 0.000 2.426 1057 K HA 0.043 4.224 4.320 -0.233 0.000 0.193 1057 K C -0.383 175.808 176.600 -0.682 0.000 1.028 1057 K CA 0.470 56.578 56.287 -0.298 0.000 1.047 1057 K CB 0.278 32.589 32.500 -0.316 0.000 0.821 1057 K HN 0.297 nan 8.250 nan 0.000 0.513 1058 H N 1.114 120.218 119.070 0.057 0.000 2.429 1058 H HA 0.135 4.550 4.556 -0.236 0.000 0.231 1058 H C -0.635 174.835 175.328 0.236 0.000 1.416 1058 H CA -0.637 55.477 56.048 0.110 0.000 1.443 1058 H CB 0.281 30.121 29.762 0.130 0.000 1.591 1058 H HN -0.016 nan 8.280 nan 0.000 0.507 1059 I N 2.423 123.113 120.570 0.200 0.000 2.664 1059 I HA -0.071 3.959 4.170 -0.233 0.000 0.284 1059 I C 0.398 176.548 176.117 0.056 0.000 1.154 1059 I CA 0.597 61.952 61.300 0.091 0.000 1.402 1059 I CB -0.422 37.559 38.000 -0.033 0.000 1.395 1059 I HN 0.346 nan 8.210 nan 0.000 0.545 1060 N N 7.920 126.642 118.700 0.037 0.000 2.272 1060 N HA 0.675 5.276 4.740 -0.233 0.000 0.305 1060 N C -0.418 175.016 175.510 -0.126 0.000 1.103 1060 N CA -0.521 52.501 53.050 -0.046 0.000 0.791 1060 N CB 3.179 41.608 38.487 -0.097 0.000 1.356 1060 N HN 0.575 nan 8.380 nan 0.000 0.486 1061 I N -2.107 118.375 120.570 -0.147 0.000 2.934 1061 I HA 0.598 4.628 4.170 -0.233 0.000 0.306 1061 I C -1.232 174.874 176.117 -0.018 0.000 1.110 1061 I CA -1.036 60.167 61.300 -0.160 0.000 1.019 1061 I CB 1.956 39.583 38.000 -0.622 0.000 1.227 1061 I HN 0.157 nan 8.210 nan 0.000 0.434 1062 L N 2.699 124.005 121.223 0.138 0.000 2.317 1062 L HA 0.453 4.654 4.340 -0.233 0.000 0.281 1062 L C 0.236 177.171 176.870 0.108 0.000 1.024 1062 L CA -0.440 54.470 54.840 0.115 0.000 0.810 1062 L CB 1.719 43.842 42.059 0.106 0.000 1.240 1062 L HN 0.704 nan 8.230 nan 0.000 0.427 1063 E N 3.922 124.132 120.200 0.018 0.000 1.892 1063 E HA 0.024 4.234 4.350 -0.233 0.000 0.271 1063 E C -1.130 175.340 176.600 -0.216 0.000 1.146 1063 E CA -0.353 55.963 56.400 -0.141 0.000 1.096 1063 E CB 0.145 29.805 29.700 -0.067 0.000 1.155 1063 E HN 0.506 nan 8.360 nan 0.000 0.458 1064 D N 2.260 122.518 120.400 -0.237 0.000 2.464 1064 D HA 0.032 4.532 4.640 -0.233 0.000 0.243 1064 D C 0.074 176.322 176.300 -0.086 0.000 1.104 1064 D CA -0.727 53.217 54.000 -0.094 0.000 0.883 1064 D CB -0.062 40.746 40.800 0.012 0.000 1.050 1064 D HN 0.391 nan 8.370 nan 0.000 0.524 1065 W N 2.628 124.011 121.300 0.138 0.000 2.584 1065 W HA 0.188 4.857 4.660 0.015 0.000 0.264 1065 W C 1.720 178.376 176.519 0.229 0.000 1.264 1065 W CA 0.004 57.450 57.345 0.168 0.000 1.306 1065 W CB 0.383 29.927 29.460 0.140 0.000 1.110 1065 W HN 0.430 nan 8.180 nan 0.000 0.606 1066 G N -0.604 108.423 108.800 0.379 0.000 2.403 1066 G HA2 0.032 3.852 3.960 -0.233 0.000 0.259 1066 G HA3 0.032 3.852 3.960 -0.233 0.000 0.259 1066 G C -0.357 174.782 174.900 0.399 0.000 1.244 1066 G CA -0.552 44.753 45.100 0.342 0.000 0.849 1066 G HN 0.090 nan 8.290 nan 0.000 0.532 1067 W N 0.294 121.647 121.300 0.089 0.000 2.465 1067 W HA 0.056 4.568 4.660 -0.247 0.000 0.268 1067 W C 1.566 178.117 176.519 0.054 0.000 1.242 1067 W CA 0.458 57.840 57.345 0.062 0.000 1.248 1067 W CB 0.163 29.654 29.460 0.052 0.000 1.118 1067 W HN 0.519 nan 8.180 nan 0.000 0.587 1068 D N -0.625 119.934 120.400 0.264 0.000 2.348 1068 D HA -0.092 4.408 4.640 -0.233 0.000 0.211 1068 D C 1.138 177.530 176.300 0.153 0.000 0.998 1068 D CA 0.743 54.848 54.000 0.174 0.000 0.873 1068 D CB -0.208 40.678 40.800 0.144 0.000 0.925 1068 D HN 0.102 nan 8.370 nan 0.000 0.524 1069 D N 1.011 121.504 120.400 0.156 0.000 2.123 1069 D HA -0.120 4.380 4.640 -0.233 0.000 0.196 1069 D C -0.749 175.646 176.300 0.158 0.000 0.992 1069 D CA 0.955 55.050 54.000 0.159 0.000 0.833 1069 D CB -1.342 39.539 40.800 0.136 0.000 0.954 1069 D HN 0.251 nan 8.370 nan 0.000 0.455 1070 P HA -0.097 nan 4.420 nan 0.000 0.215 1070 P C 1.221 178.558 177.300 0.062 0.000 1.153 1070 P CA 1.926 65.054 63.100 0.046 0.000 0.853 1070 P CB -0.080 31.608 31.700 -0.020 0.000 0.788 1071 A N -1.437 121.431 122.820 0.079 0.000 1.940 1071 A HA -0.252 3.929 4.320 -0.233 0.000 0.219 1071 A C 2.299 179.941 177.584 0.097 0.000 1.176 1071 A CA 1.608 53.691 52.037 0.075 0.000 0.631 1071 A CB -1.915 17.137 19.000 0.087 0.000 0.814 1071 A HN 0.165 nan 8.150 nan 0.000 0.446 1072 Y N 0.314 120.636 120.300 0.037 0.000 2.163 1072 Y HA -0.133 4.273 4.550 -0.239 0.000 0.288 1072 Y C 2.404 178.328 175.900 0.040 0.000 1.136 1072 Y CA 1.732 59.856 58.100 0.041 0.000 1.147 1072 Y CB -0.384 38.106 38.460 0.050 0.000 0.987 1072 Y HN 0.059 nan 8.280 nan 0.000 0.509 1073 V N 0.864 120.788 119.914 0.017 0.000 2.343 1073 V HA -0.326 3.655 4.120 -0.233 0.000 0.247 1073 V C 2.232 178.274 176.094 -0.086 0.000 1.051 1073 V CA 2.208 64.486 62.300 -0.037 0.000 1.036 1073 V CB -0.923 30.938 31.823 0.064 0.000 0.654 1073 V HN 0.459 nan 8.190 nan 0.000 0.451 1074 N N 0.563 119.235 118.700 -0.047 0.000 2.043 1074 N HA -0.239 4.361 4.740 -0.233 0.000 0.193 1074 N C 1.869 177.323 175.510 -0.093 0.000 1.037 1074 N CA 2.036 55.057 53.050 -0.048 0.000 0.851 1074 N CB -0.336 38.138 38.487 -0.021 0.000 1.027 1074 N HN 0.440 nan 8.380 nan 0.000 0.422 1075 K N 0.274 120.598 120.400 -0.127 0.000 2.089 1075 K HA -0.161 4.019 4.320 -0.233 0.000 0.210 1075 K C 1.587 178.075 176.600 -0.187 0.000 1.048 1075 K CA 1.852 58.051 56.287 -0.146 0.000 0.926 1075 K CB -0.376 32.032 32.500 -0.153 0.000 0.714 1075 K HN 0.565 nan 8.250 nan 0.000 0.448 1076 I N -3.505 116.888 120.570 -0.294 0.000 3.749 1076 I HA 0.300 4.330 4.170 -0.233 0.000 0.314 1076 I C 0.625 176.670 176.117 -0.120 0.000 1.267 1076 I CA 0.415 61.581 61.300 -0.223 0.000 1.169 1076 I CB 0.337 38.156 38.000 -0.302 0.000 1.009 1076 I HN 0.303 nan 8.210 nan 0.000 0.444 1077 G N 1.667 110.408 108.800 -0.098 0.000 2.134 1077 G HA2 -0.269 3.551 3.960 -0.233 0.000 0.209 1077 G HA3 -0.269 3.551 3.960 -0.233 0.000 0.209 1077 G C 0.112 174.981 174.900 -0.051 0.000 0.993 1077 G CA -0.086 44.974 45.100 -0.067 0.000 0.669 1077 G HN 0.460 nan 8.290 nan 0.000 0.519 1078 N N -1.176 117.510 118.700 -0.023 0.000 2.714 1078 N HA -0.162 4.438 4.740 -0.233 0.000 0.252 1078 N C -0.792 174.758 175.510 0.067 0.000 1.014 1078 N CA 1.257 54.346 53.050 0.064 0.000 0.735 1078 N CB -0.523 38.037 38.487 0.122 0.000 0.924 1078 N HN 0.506 nan 8.380 nan 0.000 0.540 1079 P HA -0.141 nan 4.420 nan 0.000 0.220 1079 P C -0.064 177.264 177.300 0.047 0.000 1.148 1079 P CA 1.609 64.670 63.100 -0.066 0.000 0.803 1079 P CB 0.438 32.100 31.700 -0.063 0.000 0.782 1080 Q N -0.914 118.985 119.800 0.166 0.000 2.345 1080 Q HA 0.475 4.675 4.340 -0.233 0.000 0.275 1080 Q C -0.764 175.348 176.000 0.186 0.000 1.063 1080 Q CA -0.609 55.317 55.803 0.205 0.000 0.819 1080 Q CB 1.661 30.430 28.738 0.050 0.000 1.356 1080 Q HN -0.075 nan 8.270 nan 0.000 0.418 1081 L N 1.413 122.680 121.223 0.074 0.000 2.462 1081 L HA 0.206 4.406 4.340 -0.233 0.000 0.272 1081 L C 0.745 177.715 176.870 0.167 0.000 1.166 1081 L CA -0.072 54.809 54.840 0.068 0.000 0.880 1081 L CB 0.447 42.504 42.059 -0.004 0.000 1.142 1081 L HN 0.625 nan 8.230 nan 0.000 0.473 1082 T N 4.661 119.269 114.554 0.089 0.000 2.903 1082 T HA 0.258 4.468 4.350 -0.233 0.000 0.314 1082 T C 0.278 174.892 174.700 -0.145 0.000 1.078 1082 T CA -0.685 61.425 62.100 0.016 0.000 1.114 1082 T CB 0.375 69.231 68.868 -0.019 0.000 0.987 1082 T HN 0.527 nan 8.240 nan 0.000 0.548 1083 M N 2.268 121.652 119.600 -0.359 0.000 2.197 1083 M HA 0.482 4.822 4.480 -0.233 0.000 0.305 1083 M C -0.158 175.877 176.300 -0.441 0.000 1.162 1083 M CA -0.500 54.334 55.300 -0.776 0.000 1.099 1083 M CB 0.475 32.653 32.600 -0.704 0.000 1.430 1083 M HN 0.318 nan 8.290 nan 0.000 0.481 1084 D N 0.300 120.432 120.400 -0.447 0.000 2.479 1084 D HA 0.196 4.696 4.640 -0.233 0.000 0.247 1084 D C -0.449 175.623 176.300 -0.381 0.000 1.119 1084 D CA -0.127 53.658 54.000 -0.359 0.000 0.922 1084 D CB 0.542 41.165 40.800 -0.296 0.000 1.014 1084 D HN 0.813 nan 8.370 nan 0.000 0.510 1085 D N 1.970 122.159 120.400 -0.353 0.000 2.277 1085 D HA -0.015 4.486 4.640 -0.233 0.000 0.208 1085 D C 1.831 177.967 176.300 -0.274 0.000 0.962 1085 D CA 0.756 54.637 54.000 -0.199 0.000 0.865 1085 D CB 0.418 41.301 40.800 0.138 0.000 0.939 1085 D HN 0.234 nan 8.370 nan 0.000 0.510 1086 R N -0.470 119.609 120.500 -0.702 0.000 2.083 1086 R HA -0.133 4.068 4.340 -0.233 0.000 0.237 1086 R C 2.075 178.185 176.300 -0.316 0.000 1.137 1086 R CA 1.159 56.800 56.100 -0.765 0.000 0.951 1086 R CB -0.412 29.378 30.300 -0.851 0.000 0.851 1086 R HN 0.226 nan 8.270 nan 0.000 0.434 1087 L N 0.962 122.008 121.223 -0.295 0.000 2.027 1087 L HA -0.108 4.093 4.340 -0.233 0.000 0.206 1087 L C 2.387 179.141 176.870 -0.193 0.000 1.074 1087 L CA 1.672 56.385 54.840 -0.213 0.000 0.745 1087 L CB -0.489 41.440 42.059 -0.217 0.000 0.898 1087 L HN 0.020 nan 8.230 nan 0.000 0.433 1088 R N -0.407 119.942 120.500 -0.252 0.000 2.083 1088 R HA -0.228 3.973 4.340 -0.233 0.000 0.237 1088 R C 2.057 178.287 176.300 -0.117 0.000 1.137 1088 R CA 2.217 58.160 56.100 -0.261 0.000 0.951 1088 R CB -0.379 29.656 30.300 -0.441 0.000 0.851 1088 R HN 0.490 nan 8.270 nan 0.000 0.434 1089 N N -0.042 118.642 118.700 -0.028 0.000 2.205 1089 N HA -0.154 4.446 4.740 -0.233 0.000 0.186 1089 N C 1.596 177.125 175.510 0.032 0.000 1.015 1089 N CA 1.432 54.519 53.050 0.063 0.000 0.862 1089 N CB -0.140 38.481 38.487 0.224 0.000 0.986 1089 N HN 0.342 nan 8.380 nan 0.000 0.429 1090 A N 0.631 123.447 122.820 -0.008 0.000 1.933 1090 A HA -0.095 4.085 4.320 -0.233 0.000 0.218 1090 A C 2.090 179.656 177.584 -0.030 0.000 1.175 1090 A CA 1.021 53.048 52.037 -0.017 0.000 0.628 1090 A CB -0.591 18.381 19.000 -0.048 0.000 0.814 1090 A HN 0.233 nan 8.150 nan 0.000 0.444 1091 I N -0.614 119.922 120.570 -0.056 0.000 2.252 1091 I HA -0.245 3.786 4.170 -0.233 0.000 0.245 1091 I C 2.484 178.583 176.117 -0.030 0.000 1.102 1091 I CA 0.995 62.260 61.300 -0.058 0.000 1.385 1091 I CB -0.344 37.596 38.000 -0.100 0.000 1.064 1091 I HN 0.253 nan 8.210 nan 0.000 0.414 1092 M N 0.054 119.642 119.600 -0.018 0.000 2.149 1092 M HA -0.200 4.140 4.480 -0.233 0.000 0.261 1092 M C 1.545 177.853 176.300 0.013 0.000 1.064 1092 M CA 1.714 57.019 55.300 0.009 0.000 1.102 1092 M CB -1.192 31.422 32.600 0.023 0.000 1.369 1092 M HN 0.198 nan 8.290 nan 0.000 0.408 1093 D N -0.384 120.022 120.400 0.010 0.000 2.289 1093 D HA -0.028 4.472 4.640 -0.233 0.000 0.207 1093 D C 2.002 178.300 176.300 -0.002 0.000 0.966 1093 D CA 1.588 55.593 54.000 0.009 0.000 0.868 1093 D CB 0.029 40.840 40.800 0.019 0.000 0.943 1093 D HN 0.478 nan 8.370 nan 0.000 0.514 1094 T N -3.039 111.512 114.554 -0.006 0.000 2.969 1094 T HA 0.249 4.460 4.350 -0.233 0.000 0.250 1094 T C 1.806 176.501 174.700 -0.008 0.000 1.021 1094 T CA -0.077 62.017 62.100 -0.009 0.000 1.003 1094 T CB 0.137 69.000 68.868 -0.010 0.000 1.040 1094 T HN 0.034 nan 8.240 nan 0.000 0.492 1095 L N 0.234 121.455 121.223 -0.004 0.000 2.600 1095 L HA 0.356 4.556 4.340 -0.233 0.000 0.213 1095 L C 2.403 179.296 176.870 0.039 0.000 1.045 1095 L CA 0.244 55.090 54.840 0.009 0.000 0.863 1095 L CB 0.063 42.120 42.059 -0.003 0.000 1.189 1095 L HN 0.106 nan 8.230 nan 0.000 0.484 1096 S N 0.321 116.047 115.700 0.044 0.000 2.522 1096 S HA 0.096 4.426 4.470 -0.233 0.000 0.227 1096 S C 0.994 175.686 174.600 0.154 0.000 0.986 1096 S CA 0.445 58.705 58.200 0.099 0.000 0.929 1096 S CB -0.128 63.113 63.200 0.068 0.000 0.769 1096 S HN 0.429 nan 8.310 nan 0.000 0.529 1097 G N 0.869 109.696 108.800 0.045 0.000 2.580 1097 G HA2 0.608 4.428 3.960 -0.233 0.000 0.278 1097 G HA3 0.608 4.428 3.960 -0.233 0.000 0.278 1097 G C -0.032 174.638 174.900 -0.383 0.000 1.212 1097 G CA -0.328 44.743 45.100 -0.048 0.000 0.939 1097 G HN 0.419 nan 8.290 nan 0.000 0.513 1098 A N 0.498 122.936 122.820 -0.637 0.000 2.386 1098 A HA 0.488 4.668 4.320 -0.233 0.000 0.246 1098 A C -0.900 176.366 177.584 -0.530 0.000 1.089 1098 A CA -0.697 50.690 52.037 -1.084 0.000 0.790 1098 A CB 0.260 18.883 19.000 -0.628 0.000 1.042 1098 A HN 0.405 nan 8.150 nan 0.000 0.497 1099 P HA -0.165 nan 4.420 nan 0.000 0.217 1099 P C 0.450 177.667 177.300 -0.139 0.000 1.148 1099 P CA 1.813 64.793 63.100 -0.200 0.000 0.828 1099 P CB 0.044 31.671 31.700 -0.121 0.000 0.783 1100 D N -2.292 118.024 120.400 -0.140 0.000 2.328 1100 D HA -0.035 4.465 4.640 -0.233 0.000 0.221 1100 D C 1.194 177.442 176.300 -0.086 0.000 1.072 1100 D CA 0.510 54.455 54.000 -0.091 0.000 0.850 1100 D CB -0.234 40.524 40.800 -0.071 0.000 0.922 1100 D HN 0.033 nan 8.370 nan 0.000 0.516 1101 K N -0.142 120.191 120.400 -0.112 0.000 2.370 1101 K HA 0.138 4.318 4.320 -0.233 0.000 0.194 1101 K C 0.353 176.913 176.600 -0.066 0.000 1.070 1101 K CA -0.197 56.039 56.287 -0.084 0.000 0.998 1101 K CB -0.030 32.416 32.500 -0.091 0.000 0.911 1101 K HN 0.057 nan 8.250 nan 0.000 0.533 1102 N N 2.720 121.373 118.700 -0.078 0.000 2.492 1102 N HA 0.032 4.632 4.740 -0.233 0.000 0.260 1102 N C 0.091 175.582 175.510 -0.032 0.000 1.215 1102 N CA 0.424 53.444 53.050 -0.051 0.000 0.923 1102 N CB 0.714 39.170 38.487 -0.052 0.000 1.092 1102 N HN 0.115 nan 8.380 nan 0.000 0.448 1103 Q N 0.170 119.959 119.800 -0.019 0.000 2.240 1103 Q HA 0.643 4.843 4.340 -0.233 0.000 0.260 1103 Q C -0.296 175.700 176.000 -0.008 0.000 1.018 1103 Q CA -1.025 54.771 55.803 -0.011 0.000 0.898 1103 Q CB 1.181 29.916 28.738 -0.004 0.000 1.301 1103 Q HN 0.670 nan 8.270 nan 0.000 0.469 1104 A N 0.825 123.643 122.820 -0.004 0.000 2.520 1104 A HA 0.034 4.214 4.320 -0.233 0.000 0.235 1104 A C 0.566 178.149 177.584 -0.001 0.000 1.065 1104 A CA 0.113 52.149 52.037 -0.002 0.000 0.764 1104 A CB -0.036 18.964 19.000 0.000 0.000 1.002 1104 A HN 0.798 nan 8.150 nan 0.000 0.502 1105 L N 1.468 122.692 121.223 0.000 0.000 2.552 1105 L HA -0.097 4.103 4.340 -0.233 0.000 0.227 1105 L C 1.633 178.501 176.870 -0.003 0.000 1.146 1105 L CA 0.563 55.402 54.840 -0.002 0.000 0.858 1105 L CB -0.533 41.526 42.059 0.001 0.000 0.969 1105 L HN 0.803 nan 8.230 nan 0.000 0.451 1106 N N 0.656 119.356 118.700 -0.000 0.000 2.205 1106 N HA -0.248 4.352 4.740 -0.233 0.000 0.186 1106 N C 1.791 177.299 175.510 -0.004 0.000 1.015 1106 N CA 1.152 54.202 53.050 0.000 0.000 0.862 1106 N CB -0.166 38.323 38.487 0.004 0.000 0.986 1106 N HN 0.324 nan 8.380 nan 0.000 0.429 1107 K N 1.254 121.652 120.400 -0.003 0.000 2.209 1107 K HA -0.089 4.091 4.320 -0.233 0.000 0.204 1107 K C 1.552 178.141 176.600 -0.019 0.000 1.048 1107 K CA 0.834 57.119 56.287 -0.004 0.000 0.940 1107 K CB -0.164 32.340 32.500 0.007 0.000 0.729 1107 K HN 0.195 nan 8.250 nan 0.000 0.451 1108 L N 0.977 122.186 121.223 -0.023 0.000 2.187 1108 L HA -0.166 4.035 4.340 -0.233 0.000 0.213 1108 L C 2.238 179.084 176.870 -0.040 0.000 1.100 1108 L CA 0.981 55.798 54.840 -0.038 0.000 0.765 1108 L CB -0.266 41.771 42.059 -0.036 0.000 0.904 1108 L HN 0.253 nan 8.230 nan 0.000 0.437 1109 I N -1.025 119.528 120.570 -0.027 0.000 2.480 1109 I HA -0.163 3.868 4.170 -0.233 0.000 0.251 1109 I C 2.394 178.495 176.117 -0.028 0.000 1.124 1109 I CA 1.657 62.943 61.300 -0.024 0.000 1.444 1109 I CB -0.331 37.662 38.000 -0.011 0.000 1.098 1109 I HN 0.361 nan 8.210 nan 0.000 0.428 1110 T N -2.968 111.571 114.554 -0.026 0.000 3.038 1110 T HA -0.026 4.184 4.350 -0.233 0.000 0.244 1110 T C 1.187 175.861 174.700 -0.043 0.000 1.016 1110 T CA -0.192 61.892 62.100 -0.026 0.000 1.098 1110 T CB -0.147 68.715 68.868 -0.010 0.000 0.954 1110 T HN 0.158 nan 8.240 nan 0.000 0.469 1111 Q N 1.742 121.513 119.800 -0.048 0.000 2.664 1111 Q HA 0.485 4.685 4.340 -0.233 0.000 0.223 1111 Q C -0.771 175.141 176.000 -0.148 0.000 1.298 1111 Q CA -0.324 55.433 55.803 -0.077 0.000 0.965 1111 Q CB -0.222 28.499 28.738 -0.028 0.000 1.510 1111 Q HN 0.450 nan 8.270 nan 0.000 0.567 1112 S N 1.918 117.517 115.700 -0.168 0.000 2.611 1112 S HA 0.195 4.526 4.470 -0.233 0.000 0.270 1112 S C 0.286 174.782 174.600 -0.173 0.000 1.131 1112 S CA -0.717 57.366 58.200 -0.195 0.000 0.826 1112 S CB 0.454 63.568 63.200 -0.143 0.000 1.095 1112 S HN 0.658 nan 8.310 nan 0.000 0.461 1113 L N 1.533 122.649 121.223 -0.179 0.000 2.447 1113 L HA 0.097 4.298 4.340 -0.233 0.000 0.225 1113 L C -0.063 176.756 176.870 -0.085 0.000 1.148 1113 L CA 0.694 55.457 54.840 -0.129 0.000 0.808 1113 L CB -0.320 41.664 42.059 -0.125 0.000 0.928 1113 L HN 0.389 nan 8.230 nan 0.000 0.448 1114 V N -1.022 118.843 119.914 -0.081 0.000 2.760 1114 V HA 0.265 4.246 4.120 -0.233 0.000 0.309 1114 V C -0.370 175.696 176.094 -0.047 0.000 1.077 1114 V CA -0.995 61.273 62.300 -0.053 0.000 0.910 1114 V CB 2.070 33.866 31.823 -0.046 0.000 1.008 1114 V HN 0.065 nan 8.190 nan 0.000 0.424 1115 N N 3.366 122.048 118.700 -0.030 0.000 2.426 1115 N HA 0.331 4.931 4.740 -0.233 0.000 0.257 1115 N C 0.267 175.770 175.510 -0.012 0.000 1.002 1115 N CA -0.388 52.649 53.050 -0.022 0.000 0.942 1115 N CB 1.424 39.903 38.487 -0.014 0.000 1.112 1115 N HN 0.620 nan 8.380 nan 0.000 0.499 1116 R N 2.516 123.007 120.500 -0.015 0.000 2.466 1116 R HA 0.215 4.415 4.340 -0.233 0.000 0.279 1116 R C 1.366 177.668 176.300 0.002 0.000 0.976 1116 R CA -0.086 56.008 56.100 -0.009 0.000 1.081 1116 R CB 0.338 30.624 30.300 -0.023 0.000 1.215 1116 R HN 0.597 nan 8.270 nan 0.000 0.546 1117 A N 1.526 124.351 122.820 0.008 0.000 1.902 1117 A HA -0.083 4.097 4.320 -0.233 0.000 0.217 1117 A C 0.870 178.477 177.584 0.039 0.000 1.181 1117 A CA 1.145 53.193 52.037 0.020 0.000 0.623 1117 A CB 0.111 19.122 19.000 0.017 0.000 0.818 1117 A HN 0.247 nan 8.150 nan 0.000 0.443 1118 N N 0.435 119.161 118.700 0.043 0.000 2.716 1118 N HA 0.084 4.684 4.740 -0.233 0.000 0.245 1118 N C -1.913 173.637 175.510 0.067 0.000 1.495 1118 N CA -0.281 52.812 53.050 0.070 0.000 0.759 1118 N CB 0.853 39.376 38.487 0.060 0.000 1.261 1118 N HN 0.212 nan 8.380 nan 0.000 0.515 1119 D N 1.702 122.144 120.400 0.070 0.000 2.453 1119 D HA 0.100 4.601 4.640 -0.233 0.000 0.223 1119 D C 0.274 176.629 176.300 0.092 0.000 1.183 1119 D CA -0.082 53.954 54.000 0.060 0.000 0.933 1119 D CB 0.079 40.901 40.800 0.038 0.000 1.038 1119 D HN 0.381 nan 8.370 nan 0.000 0.513 1120 N N 1.058 119.806 118.700 0.080 0.000 2.365 1120 N HA 0.049 4.650 4.740 -0.233 0.000 0.257 1120 N C -0.497 175.047 175.510 0.056 0.000 1.287 1120 N CA -0.517 52.585 53.050 0.087 0.000 0.882 1120 N CB 0.403 38.939 38.487 0.082 0.000 1.250 1120 N HN 0.191 nan 8.380 nan 0.000 0.507 1121 T N -3.484 111.098 114.554 0.047 0.000 2.864 1121 T HA 0.675 4.885 4.350 -0.233 0.000 0.289 1121 T C -0.806 173.916 174.700 0.035 0.000 1.082 1121 T CA -0.681 61.440 62.100 0.035 0.000 1.009 1121 T CB 2.547 71.430 68.868 0.024 0.000 1.234 1121 T HN 0.033 nan 8.240 nan 0.000 0.526 1122 E N -0.047 120.170 120.200 0.029 0.000 2.416 1122 E HA 0.454 4.664 4.350 -0.233 0.000 0.273 1122 E C -0.516 176.096 176.600 0.019 0.000 0.935 1122 E CA -1.160 55.257 56.400 0.028 0.000 0.784 1122 E CB 1.347 31.069 29.700 0.035 0.000 1.301 1122 E HN 0.765 nan 8.360 nan 0.000 0.454 1123 N N -0.392 118.318 118.700 0.017 0.000 2.741 1123 N HA -0.246 4.354 4.740 -0.233 0.000 0.251 1123 N C -0.005 175.503 175.510 -0.005 0.000 1.112 1123 N CA 1.015 54.067 53.050 0.003 0.000 0.750 1123 N CB -1.014 37.472 38.487 -0.001 0.000 1.119 1123 N HN 0.513 nan 8.380 nan 0.000 0.561 1124 A N -0.853 121.967 122.820 0.000 0.000 2.324 1124 A HA 0.395 4.575 4.320 -0.233 0.000 0.220 1124 A C 0.902 178.482 177.584 -0.006 0.000 1.209 1124 A CA 0.814 52.849 52.037 -0.002 0.000 0.918 1124 A CB 0.714 19.716 19.000 0.003 0.000 0.959 1124 A HN 0.319 nan 8.150 nan 0.000 0.507 1125 V N -2.796 117.115 119.914 -0.006 0.000 3.113 1125 V HA 0.631 4.612 4.120 -0.233 0.000 0.316 1125 V C -0.166 175.921 176.094 -0.011 0.000 1.125 1125 V CA -1.351 60.942 62.300 -0.012 0.000 1.026 1125 V CB 1.269 33.081 31.823 -0.017 0.000 1.080 1125 V HN 0.169 nan 8.190 nan 0.000 0.444 1126 I N 3.859 124.419 120.570 -0.016 0.000 2.587 1126 I HA 0.238 4.268 4.170 -0.233 0.000 0.284 1126 I C -1.920 174.191 176.117 -0.009 0.000 1.134 1126 I CA -1.156 60.137 61.300 -0.011 0.000 1.410 1126 I CB 0.895 38.883 38.000 -0.020 0.000 1.392 1126 I HN 0.569 nan 8.210 nan 0.000 0.545 1127 P HA 0.112 nan 4.420 nan 0.000 0.271 1127 P C -0.789 176.510 177.300 -0.001 0.000 1.216 1127 P CA -0.124 62.987 63.100 0.019 0.000 0.771 1127 P CB 1.133 32.876 31.700 0.071 0.000 0.864 1128 S N 2.045 117.732 115.700 -0.021 0.000 2.596 1128 S HA 0.675 5.005 4.470 -0.233 0.000 0.270 1128 S C -1.090 173.516 174.600 0.011 0.000 1.155 1128 S CA -0.808 57.368 58.200 -0.040 0.000 0.827 1128 S CB 1.106 64.231 63.200 -0.124 0.000 1.130 1128 S HN 0.498 nan 8.310 nan 0.000 0.467 1129 Y N 0.842 121.106 120.300 -0.060 0.000 2.496 1129 Y HA 0.874 5.170 4.550 -0.424 0.000 0.331 1129 Y C -0.430 175.480 175.900 0.015 0.000 1.140 1129 Y CA -0.797 57.289 58.100 -0.023 0.000 1.166 1129 Y CB 1.064 39.513 38.460 -0.019 0.000 1.249 1129 Y HN 0.862 nan 8.280 nan 0.000 0.479 1130 N N 1.292 120.032 118.700 0.067 0.000 2.455 1130 N HA 0.704 5.304 4.740 -0.233 0.000 0.278 1130 N C -1.773 173.851 175.510 0.190 0.000 1.291 1130 N CA -0.852 52.154 53.050 -0.073 0.000 0.780 1130 N CB 2.034 40.432 38.487 -0.147 0.000 1.520 1130 N HN 0.763 nan 8.380 nan 0.000 0.486 1131 F N -1.678 118.227 119.950 -0.074 0.000 2.741 1131 F HA 0.490 5.018 4.527 0.002 0.000 0.311 1131 F C -0.649 175.084 175.800 -0.111 0.000 1.149 1131 F CA -0.949 57.020 58.000 -0.051 0.000 0.930 1131 F CB 0.364 39.399 39.000 0.057 0.000 1.312 1131 F HN 0.119 nan 8.300 nan 0.000 0.450 1132 V N 0.325 120.247 119.914 0.013 0.000 2.672 1132 V HA 0.356 4.336 4.120 -0.233 0.000 0.242 1132 V C 0.759 176.927 176.094 0.123 0.000 1.059 1132 V CA 0.782 63.026 62.300 -0.093 0.000 1.081 1132 V CB -0.079 31.546 31.823 -0.330 0.000 0.752 1132 V HN 0.714 nan 8.190 nan 0.000 0.472 1133 R N -1.308 119.350 120.500 0.263 0.000 2.855 1133 R HA 0.810 5.010 4.340 -0.233 0.000 0.266 1133 R C -1.074 175.168 176.300 -0.097 0.000 1.034 1133 R CA -0.013 56.166 56.100 0.133 0.000 0.944 1133 R CB 2.344 32.688 30.300 0.073 0.000 1.219 1133 R HN 0.294 nan 8.270 nan 0.000 0.474 1134 A N -0.485 122.039 122.820 -0.494 0.000 2.583 1134 A HA 0.296 4.477 4.320 -0.233 0.000 0.289 1134 A C 0.578 177.598 177.584 -0.940 0.000 1.151 1134 A CA -0.656 50.893 52.037 -0.813 0.000 0.695 1134 A CB 0.683 19.369 19.000 -0.523 0.000 1.290 1134 A HN 1.034 nan 8.150 nan 0.000 0.419 1135 H N -0.015 118.742 119.070 -0.521 0.000 2.426 1135 H HA -0.204 4.199 4.556 -0.255 0.000 0.298 1135 H C 0.810 176.151 175.328 0.021 0.000 1.107 1135 H CA 2.210 58.170 56.048 -0.146 0.000 1.298 1135 H CB -0.158 29.469 29.762 -0.225 0.000 1.377 1135 H HN 0.710 nan 8.280 nan 0.000 0.519 1136 D N 0.970 120.982 120.400 -0.648 0.000 2.527 1136 D HA -0.040 4.461 4.640 -0.233 0.000 0.249 1136 D C 1.088 177.340 176.300 -0.081 0.000 1.029 1136 D CA 0.446 54.320 54.000 -0.210 0.000 0.951 1136 D CB -0.992 39.702 40.800 -0.176 0.000 1.093 1136 D HN 0.198 nan 8.370 nan 0.000 0.464 1137 S N 0.595 116.255 115.700 -0.067 0.000 2.752 1137 S HA -0.024 4.306 4.470 -0.233 0.000 0.329 1137 S C 0.327 174.960 174.600 0.055 0.000 1.204 1137 S CA 0.079 58.317 58.200 0.064 0.000 1.252 1137 S CB -1.188 62.218 63.200 0.344 0.000 1.053 1137 S HN 0.322 nan 8.310 nan 0.000 0.533 1138 N N 1.745 120.490 118.700 0.074 0.000 2.776 1138 N HA -0.213 4.387 4.740 -0.233 0.000 0.250 1138 N C 0.301 175.898 175.510 0.145 0.000 1.112 1138 N CA 1.105 54.223 53.050 0.114 0.000 0.733 1138 N CB -1.489 37.070 38.487 0.120 0.000 1.097 1138 N HN 0.714 nan 8.380 nan 0.000 0.558 1139 A N 0.084 122.976 122.820 0.120 0.000 1.935 1139 A HA 0.041 4.221 4.320 -0.233 0.000 0.202 1139 A C 1.826 179.506 177.584 0.160 0.000 1.772 1139 A CA 0.854 52.992 52.037 0.169 0.000 1.013 1139 A CB -0.222 18.897 19.000 0.199 0.000 1.077 1139 A HN 0.350 nan 8.150 nan 0.000 0.565 1140 Q N -0.050 119.886 119.800 0.227 0.000 2.119 1140 Q HA -0.184 4.016 4.340 -0.233 0.000 0.201 1140 Q C 0.768 176.883 176.000 0.192 0.000 0.972 1140 Q CA 1.836 57.829 55.803 0.317 0.000 0.847 1140 Q CB -0.404 28.506 28.738 0.287 0.000 0.903 1140 Q HN 0.442 nan 8.270 nan 0.000 0.433 1141 D N 1.066 121.574 120.400 0.180 0.000 2.091 1141 D HA -0.129 4.372 4.640 -0.233 0.000 0.199 1141 D C 1.988 178.399 176.300 0.184 0.000 0.980 1141 D CA 1.381 55.522 54.000 0.235 0.000 0.831 1141 D CB -0.176 40.758 40.800 0.223 0.000 0.987 1141 D HN 0.301 nan 8.370 nan 0.000 0.460 1142 Q N 0.184 120.073 119.800 0.149 0.000 2.124 1142 Q HA 0.003 4.204 4.340 -0.233 0.000 0.202 1142 Q C 2.326 178.264 176.000 -0.105 0.000 0.977 1142 Q CA 0.635 56.541 55.803 0.172 0.000 0.850 1142 Q CB -0.117 28.826 28.738 0.342 0.000 0.901 1142 Q HN 0.341 nan 8.270 nan 0.000 0.429 1143 I N 0.049 120.406 120.570 -0.356 0.000 2.226 1143 I HA -0.286 3.744 4.170 -0.233 0.000 0.245 1143 I C 2.136 177.863 176.117 -0.650 0.000 1.100 1143 I CA 1.155 61.966 61.300 -0.814 0.000 1.374 1143 I CB -0.154 37.059 38.000 -1.312 0.000 1.057 1143 I HN 0.141 nan 8.210 nan 0.000 0.413 1144 R N 0.329 120.576 120.500 -0.422 0.000 2.120 1144 R HA -0.186 4.014 4.340 -0.233 0.000 0.234 1144 R C 2.268 178.378 176.300 -0.316 0.000 1.123 1144 R CA 1.195 57.034 56.100 -0.434 0.000 0.975 1144 R CB -0.295 29.656 30.300 -0.582 0.000 0.866 1144 R HN 0.490 nan 8.270 nan 0.000 0.446 1145 Q N 0.081 119.804 119.800 -0.127 0.000 2.084 1145 Q HA -0.125 4.076 4.340 -0.233 0.000 0.202 1145 Q C 2.178 177.872 176.000 -0.511 0.000 0.978 1145 Q CA 1.742 57.500 55.803 -0.074 0.000 0.844 1145 Q CB -0.129 28.700 28.738 0.152 0.000 0.898 1145 Q HN 0.368 nan 8.270 nan 0.000 0.426 1146 A N 0.571 122.780 122.820 -1.018 0.000 1.929 1146 A HA -0.130 4.050 4.320 -0.233 0.000 0.216 1146 A C 2.029 179.206 177.584 -0.678 0.000 1.176 1146 A CA 0.917 52.110 52.037 -1.407 0.000 0.628 1146 A CB -0.511 17.724 19.000 -1.275 0.000 0.816 1146 A HN 0.298 nan 8.150 nan 0.000 0.444 1147 I N -0.476 119.779 120.570 -0.525 0.000 2.179 1147 I HA -0.322 3.708 4.170 -0.233 0.000 0.242 1147 I C 2.821 178.817 176.117 -0.201 0.000 1.088 1147 I CA 1.909 62.990 61.300 -0.366 0.000 1.357 1147 I CB -0.275 37.441 38.000 -0.473 0.000 1.051 1147 I HN 0.551 nan 8.210 nan 0.000 0.409 1148 Q N 1.056 120.763 119.800 -0.154 0.000 2.119 1148 Q HA -0.210 3.990 4.340 -0.233 0.000 0.201 1148 Q C 2.267 178.269 176.000 0.005 0.000 0.972 1148 Q CA 1.783 57.574 55.803 -0.020 0.000 0.847 1148 Q CB -0.086 28.698 28.738 0.078 0.000 0.903 1148 Q HN 0.532 nan 8.270 nan 0.000 0.433 1149 A N 0.453 123.263 122.820 -0.016 0.000 1.969 1149 A HA -0.001 4.179 4.320 -0.233 0.000 0.218 1149 A C 2.156 179.773 177.584 0.056 0.000 1.169 1149 A CA 1.453 53.539 52.037 0.083 0.000 0.635 1149 A CB -0.619 18.536 19.000 0.257 0.000 0.810 1149 A HN 0.540 nan 8.150 nan 0.000 0.445 1150 A N -0.876 121.930 122.820 -0.024 0.000 2.021 1150 A HA 0.096 4.276 4.320 -0.233 0.000 0.216 1150 A C 2.278 179.865 177.584 0.004 0.000 1.163 1150 A CA 2.035 54.070 52.037 -0.004 0.000 0.676 1150 A CB -0.610 18.362 19.000 -0.048 0.000 0.818 1150 A HN 0.685 nan 8.150 nan 0.000 0.453 1151 T N -5.928 108.623 114.554 -0.005 0.000 3.018 1151 T HA 0.412 4.623 4.350 -0.233 0.000 0.246 1151 T C 1.557 176.274 174.700 0.029 0.000 1.026 1151 T CA 1.262 63.369 62.100 0.011 0.000 1.081 1151 T CB 0.220 69.093 68.868 0.008 0.000 0.970 1151 T HN 1.605 nan 8.240 nan 0.000 0.475 1152 G N 1.748 110.569 108.800 0.036 0.000 2.195 1152 G HA2 -0.218 3.602 3.960 -0.233 0.000 0.246 1152 G HA3 -0.218 3.602 3.960 -0.233 0.000 0.246 1152 G C 0.127 175.059 174.900 0.053 0.000 0.984 1152 G CA 0.168 45.297 45.100 0.048 0.000 0.633 1152 G HN 0.696 nan 8.290 nan 0.000 0.525 1153 K N 1.154 121.586 120.400 0.053 0.000 2.230 1153 K HA 0.359 4.539 4.320 -0.233 0.000 0.253 1153 K C -2.155 174.492 176.600 0.078 0.000 1.008 1153 K CA -1.132 55.193 56.287 0.063 0.000 0.910 1153 K CB 0.313 32.855 32.500 0.069 0.000 0.994 1153 K HN 0.106 nan 8.250 nan 0.000 0.495 1154 P HA -0.054 nan 4.420 nan 0.000 0.272 1154 P C -0.853 176.537 177.300 0.148 0.000 1.230 1154 P CA -0.126 63.040 63.100 0.109 0.000 0.788 1154 P CB 0.204 31.959 31.700 0.091 0.000 0.949 1155 Y N 1.388 121.714 120.300 0.044 0.000 2.721 1155 Y HA 0.240 4.649 4.550 -0.236 0.000 0.329 1155 Y C 1.601 177.548 175.900 0.078 0.000 1.211 1155 Y CA 1.913 60.045 58.100 0.054 0.000 1.512 1155 Y CB -0.493 37.984 38.460 0.030 0.000 1.249 1155 Y HN 0.786 nan 8.280 nan 0.000 0.549 1156 G N 3.874 112.509 108.800 -0.274 0.000 2.175 1156 G HA2 -0.253 3.567 3.960 -0.233 0.000 0.244 1156 G HA3 -0.253 3.567 3.960 -0.233 0.000 0.244 1156 G C -0.158 174.727 174.900 -0.025 0.000 0.982 1156 G CA 0.085 45.088 45.100 -0.163 0.000 0.641 1156 G HN 0.606 nan 8.290 nan 0.000 0.527 1157 E N -0.238 119.986 120.200 0.041 0.000 2.158 1157 E HA 0.665 4.875 4.350 -0.233 0.000 0.271 1157 E C -0.399 176.255 176.600 0.090 0.000 0.911 1157 E CA -0.793 55.581 56.400 -0.044 0.000 0.767 1157 E CB 1.135 30.837 29.700 0.002 0.000 1.120 1157 E HN 0.655 nan 8.360 nan 0.000 0.405 1158 F N 0.473 120.406 119.950 -0.029 0.000 2.725 1158 F HA 0.419 4.804 4.527 -0.236 0.000 0.309 1158 F C -1.152 174.638 175.800 -0.017 0.000 1.132 1158 F CA -1.422 56.562 58.000 -0.027 0.000 0.957 1158 F CB 0.522 39.498 39.000 -0.040 0.000 1.286 1158 F HN 0.303 nan 8.300 nan 0.000 0.440 1159 N N 1.226 120.038 118.700 0.187 0.000 2.671 1159 N HA 0.448 5.048 4.740 -0.233 0.000 0.303 1159 N C 0.315 175.939 175.510 0.190 0.000 1.277 1159 N CA -0.797 52.322 53.050 0.116 0.000 0.933 1159 N CB 0.449 38.961 38.487 0.041 0.000 1.190 1159 N HN 0.824 nan 8.380 nan 0.000 0.600 1160 L N -0.062 121.209 121.223 0.080 0.000 2.079 1160 L HA -0.088 4.113 4.340 -0.233 0.000 0.210 1160 L C 0.744 177.579 176.870 -0.058 0.000 1.081 1160 L CA 1.996 56.831 54.840 -0.008 0.000 0.752 1160 L CB -1.043 40.977 42.059 -0.064 0.000 0.896 1160 L HN 0.662 nan 8.230 nan 0.000 0.433 1161 D N -0.880 119.510 120.400 -0.016 0.000 2.144 1161 D HA -0.171 4.330 4.640 -0.233 0.000 0.200 1161 D C 1.675 177.971 176.300 -0.008 0.000 0.978 1161 D CA 1.293 55.283 54.000 -0.016 0.000 0.833 1161 D CB -0.168 40.633 40.800 0.002 0.000 0.961 1161 D HN 0.391 nan 8.370 nan 0.000 0.470 1162 D N 0.598 121.016 120.400 0.029 0.000 2.084 1162 D HA -0.157 4.344 4.640 -0.233 0.000 0.196 1162 D C 1.889 178.148 176.300 -0.068 0.000 0.985 1162 D CA 0.774 54.788 54.000 0.024 0.000 0.826 1162 D CB -0.365 40.508 40.800 0.122 0.000 0.978 1162 D HN 0.310 nan 8.370 nan 0.000 0.456 1163 E N 1.185 121.336 120.200 -0.082 0.000 2.065 1163 E HA -0.242 3.968 4.350 -0.233 0.000 0.201 1163 E C 1.897 178.429 176.600 -0.113 0.000 1.016 1163 E CA 1.363 57.629 56.400 -0.224 0.000 0.818 1163 E CB 0.149 29.792 29.700 -0.095 0.000 0.749 1163 E HN 0.154 nan 8.360 nan 0.000 0.453 1164 K N 0.328 120.686 120.400 -0.069 0.000 2.032 1164 K HA -0.199 3.982 4.320 -0.233 0.000 0.209 1164 K C 2.366 178.970 176.600 0.007 0.000 1.048 1164 K CA 1.503 57.802 56.287 0.020 0.000 0.927 1164 K CB -0.179 32.318 32.500 -0.005 0.000 0.712 1164 K HN 0.028 nan 8.250 nan 0.000 0.441 1165 K N 0.131 120.516 120.400 -0.024 0.000 2.063 1165 K HA -0.136 4.044 4.320 -0.233 0.000 0.208 1165 K C 2.229 178.794 176.600 -0.058 0.000 1.048 1165 K CA 1.483 57.755 56.287 -0.025 0.000 0.928 1165 K CB -0.240 32.246 32.500 -0.023 0.000 0.713 1165 K HN 0.300 nan 8.250 nan 0.000 0.442 1166 G N 0.791 109.517 108.800 -0.125 0.000 2.408 1166 G HA2 -0.262 3.558 3.960 -0.233 0.000 0.217 1166 G HA3 -0.262 3.558 3.960 -0.233 0.000 0.217 1166 G C 1.362 176.149 174.900 -0.188 0.000 1.150 1166 G CA 0.733 45.701 45.100 -0.220 0.000 0.776 1166 G HN 0.198 nan 8.290 nan 0.000 0.542 1167 M N 1.024 120.549 119.600 -0.124 0.000 2.117 1167 M HA 0.002 4.342 4.480 -0.233 0.000 0.262 1167 M C 2.231 178.560 176.300 0.049 0.000 1.065 1167 M CA 1.895 57.182 55.300 -0.022 0.000 1.114 1167 M CB -0.625 32.014 32.600 0.066 0.000 1.361 1167 M HN 0.451 nan 8.290 nan 0.000 0.408 1168 E N -0.555 119.661 120.200 0.027 0.000 2.049 1168 E HA -0.230 3.981 4.350 -0.233 0.000 0.198 1168 E C 1.872 178.501 176.600 0.049 0.000 1.007 1168 E CA 1.754 58.170 56.400 0.027 0.000 0.809 1168 E CB -0.321 29.390 29.700 0.018 0.000 0.749 1168 E HN 0.564 nan 8.360 nan 0.000 0.450 1169 A N 0.088 122.936 122.820 0.047 0.000 1.908 1169 A HA -0.221 3.959 4.320 -0.233 0.000 0.218 1169 A C 2.122 179.844 177.584 0.230 0.000 1.181 1169 A CA 1.665 53.776 52.037 0.123 0.000 0.627 1169 A CB -1.049 17.983 19.000 0.053 0.000 0.818 1169 A HN 0.635 nan 8.150 nan 0.000 0.445 1170 Y N 0.485 120.768 120.300 -0.028 0.000 2.181 1170 Y HA -0.182 4.228 4.550 -0.235 0.000 0.288 1170 Y C 2.020 177.978 175.900 0.097 0.000 1.146 1170 Y CA 1.625 59.752 58.100 0.045 0.000 1.164 1170 Y CB -0.068 38.310 38.460 -0.137 0.000 0.982 1170 Y HN 0.241 nan 8.280 nan 0.000 0.515 1171 I N 0.603 121.205 120.570 0.053 0.000 2.315 1171 I HA -0.273 3.757 4.170 -0.233 0.000 0.248 1171 I C 1.832 177.904 176.117 -0.075 0.000 1.117 1171 I CA 1.136 62.404 61.300 -0.053 0.000 1.404 1171 I CB -1.420 36.575 38.000 -0.007 0.000 1.071 1171 I HN 0.350 nan 8.210 nan 0.000 0.419 1172 N N 1.026 119.719 118.700 -0.010 0.000 2.120 1172 N HA -0.219 4.381 4.740 -0.233 0.000 0.188 1172 N C 1.631 177.120 175.510 -0.034 0.000 1.024 1172 N CA 1.575 54.616 53.050 -0.016 0.000 0.852 1172 N CB -0.401 38.103 38.487 0.028 0.000 1.003 1172 N HN 0.411 nan 8.380 nan 0.000 0.424 1173 D N 0.794 121.204 120.400 0.018 0.000 2.104 1173 D HA -0.175 4.326 4.640 -0.233 0.000 0.194 1173 D C 1.903 178.107 176.300 -0.160 0.000 0.994 1173 D CA 1.098 55.067 54.000 -0.052 0.000 0.830 1173 D CB -0.106 40.752 40.800 0.097 0.000 0.959 1173 D HN 0.239 nan 8.370 nan 0.000 0.452 1174 Q N -0.544 119.120 119.800 -0.226 0.000 2.197 1174 Q HA -0.172 4.028 4.340 -0.233 0.000 0.207 1174 Q C 0.685 176.567 176.000 -0.197 0.000 0.984 1174 Q CA 1.352 57.013 55.803 -0.237 0.000 0.869 1174 Q CB 0.007 28.578 28.738 -0.279 0.000 0.906 1174 Q HN 0.244 nan 8.270 nan 0.000 0.426 1175 N N -0.099 118.490 118.700 -0.184 0.000 2.268 1175 N HA 0.097 4.697 4.740 -0.233 0.000 0.204 1175 N C -0.863 174.565 175.510 -0.135 0.000 1.124 1175 N CA 0.098 53.040 53.050 -0.179 0.000 0.838 1175 N CB 0.871 39.260 38.487 -0.163 0.000 0.994 1175 N HN -0.010 nan 8.380 nan 0.000 0.489 1176 S N -0.999 114.622 115.700 -0.132 0.000 2.690 1176 S HA 0.282 4.612 4.470 -0.233 0.000 0.291 1176 S C 1.315 175.857 174.600 -0.097 0.000 1.138 1176 S CA -0.561 57.577 58.200 -0.103 0.000 1.013 1176 S CB 1.976 65.116 63.200 -0.101 0.000 1.053 1176 S HN 0.081 nan 8.310 nan 0.000 0.539 1177 T N 2.107 116.634 114.554 -0.044 0.000 2.737 1177 T HA -0.014 4.196 4.350 -0.233 0.000 0.265 1177 T C 0.524 175.264 174.700 0.066 0.000 1.038 1177 T CA 1.096 63.204 62.100 0.014 0.000 1.144 1177 T CB -0.229 68.661 68.868 0.037 0.000 0.866 1177 T HN 0.421 nan 8.240 nan 0.000 0.434 1178 N N 2.674 121.397 118.700 0.039 0.000 2.414 1178 N HA 0.253 4.853 4.740 -0.233 0.000 0.256 1178 N C -0.717 174.759 175.510 -0.056 0.000 1.029 1178 N CA 0.064 53.166 53.050 0.087 0.000 0.948 1178 N CB 1.088 39.600 38.487 0.042 0.000 1.102 1178 N HN 0.432 nan 8.380 nan 0.000 0.496 1179 K N 1.774 122.108 120.400 -0.110 0.000 2.221 1179 K HA 0.359 4.539 4.320 -0.233 0.000 0.258 1179 K C 0.471 176.966 176.600 -0.175 0.000 0.944 1179 K CA -0.640 55.464 56.287 -0.305 0.000 0.823 1179 K CB 2.434 34.533 32.500 -0.668 0.000 1.113 1179 K HN 0.286 nan 8.250 nan 0.000 0.431 1180 K N 0.665 120.851 120.400 -0.357 0.000 2.329 1180 K HA 0.128 4.309 4.320 -0.233 0.000 0.198 1180 K C 0.697 177.106 176.600 -0.317 0.000 1.085 1180 K CA 0.389 56.395 56.287 -0.469 0.000 0.961 1180 K CB 0.533 32.442 32.500 -0.985 0.000 0.971 1180 K HN 0.597 nan 8.250 nan 0.000 0.502 1181 W N 1.218 122.542 121.300 0.041 0.000 2.998 1181 W HA 0.306 4.825 4.660 -0.235 0.000 0.336 1181 W C 0.053 176.626 176.519 0.091 0.000 1.112 1181 W CA -0.415 56.996 57.345 0.111 0.000 1.682 1181 W CB 0.036 29.619 29.460 0.205 0.000 1.065 1181 W HN -0.069 nan 8.180 nan 0.000 0.570 1182 N N 0.964 119.721 118.700 0.095 0.000 2.319 1182 N HA 0.359 4.960 4.740 -0.233 0.000 0.305 1182 N C -0.565 174.917 175.510 -0.047 0.000 1.103 1182 N CA -0.522 52.525 53.050 -0.005 0.000 0.815 1182 N CB 2.597 40.978 38.487 -0.177 0.000 1.288 1182 N HN -0.341 nan 8.380 nan 0.000 0.493 1183 L N 2.079 123.317 121.223 0.026 0.000 2.456 1183 L HA 0.184 4.384 4.340 -0.233 0.000 0.272 1183 L C 0.036 176.882 176.870 -0.040 0.000 1.189 1183 L CA -0.029 54.845 54.840 0.056 0.000 0.846 1183 L CB 0.042 42.150 42.059 0.082 0.000 1.111 1183 L HN 0.409 nan 8.230 nan 0.000 0.475 1184 Y N 1.374 121.681 120.300 0.012 0.000 2.295 1184 Y HA 0.084 4.493 4.550 -0.235 0.000 0.331 1184 Y C 1.165 177.054 175.900 -0.019 0.000 1.311 1184 Y CA -0.428 57.676 58.100 0.007 0.000 1.430 1184 Y CB 0.399 38.862 38.460 0.005 0.000 1.339 1184 Y HN 0.606 nan 8.280 nan 0.000 0.552 1185 N N 0.808 119.594 118.700 0.144 0.000 2.716 1185 N HA -0.241 4.359 4.740 -0.233 0.000 0.250 1185 N C 0.795 176.286 175.510 -0.031 0.000 1.033 1185 N CA 0.705 53.787 53.050 0.053 0.000 0.727 1185 N CB -0.446 38.077 38.487 0.060 0.000 0.950 1185 N HN 0.708 nan 8.380 nan 0.000 0.541 1186 M N -0.591 118.921 119.600 -0.147 0.000 2.082 1186 M HA -0.125 4.215 4.480 -0.233 0.000 0.258 1186 M C -0.493 175.725 176.300 -0.137 0.000 1.069 1186 M CA 1.972 57.113 55.300 -0.266 0.000 1.102 1186 M CB -1.884 30.165 32.600 -0.919 0.000 1.336 1186 M HN 0.080 nan 8.290 nan 0.000 0.404 1187 P HA -0.111 nan 4.420 nan 0.000 0.215 1187 P C 1.639 178.916 177.300 -0.039 0.000 1.157 1187 P CA 1.615 64.671 63.100 -0.072 0.000 0.874 1187 P CB -0.098 31.563 31.700 -0.064 0.000 0.790 1188 S N -0.600 115.074 115.700 -0.043 0.000 2.355 1188 S HA -0.106 4.224 4.470 -0.233 0.000 0.222 1188 S C 2.083 176.663 174.600 -0.034 0.000 1.031 1188 S CA 1.272 59.447 58.200 -0.041 0.000 0.993 1188 S CB -1.186 61.994 63.200 -0.033 0.000 0.859 1188 S HN 0.139 nan 8.310 nan 0.000 0.453 1189 A N 0.747 123.548 122.820 -0.032 0.000 1.892 1189 A HA -0.159 4.021 4.320 -0.233 0.000 0.218 1189 A C 1.933 179.438 177.584 -0.131 0.000 1.188 1189 A CA 1.685 53.674 52.037 -0.080 0.000 0.631 1189 A CB -1.119 17.830 19.000 -0.086 0.000 0.822 1189 A HN 0.542 nan 8.150 nan 0.000 0.447 1190 Y N 0.651 120.886 120.300 -0.109 0.000 2.274 1190 Y HA -0.155 4.256 4.550 -0.232 0.000 0.290 1190 Y C 2.957 178.802 175.900 -0.091 0.000 1.145 1190 Y CA 1.889 59.928 58.100 -0.102 0.000 1.203 1190 Y CB -0.583 37.793 38.460 -0.139 0.000 0.984 1190 Y HN 0.325 nan 8.280 nan 0.000 0.533 1191 T N 0.272 114.841 114.554 0.026 0.000 2.777 1191 T HA -0.158 4.053 4.350 -0.233 0.000 0.266 1191 T C 1.901 176.579 174.700 -0.038 0.000 1.040 1191 T CA 1.330 63.419 62.100 -0.019 0.000 1.141 1191 T CB -0.249 68.590 68.868 -0.047 0.000 0.868 1191 T HN 0.116 nan 8.240 nan 0.000 0.444 1192 I N 1.107 121.644 120.570 -0.056 0.000 2.179 1192 I HA -0.085 3.945 4.170 -0.233 0.000 0.242 1192 I C 2.377 178.446 176.117 -0.080 0.000 1.088 1192 I CA 1.009 62.268 61.300 -0.068 0.000 1.357 1192 I CB -1.374 36.579 38.000 -0.078 0.000 1.051 1192 I HN 0.216 nan 8.210 nan 0.000 0.409 1193 L N 0.753 121.906 121.223 -0.117 0.000 2.013 1193 L HA -0.180 4.020 4.340 -0.233 0.000 0.212 1193 L C 2.120 178.955 176.870 -0.058 0.000 1.073 1193 L CA 1.976 56.737 54.840 -0.131 0.000 0.753 1193 L CB -0.450 41.454 42.059 -0.259 0.000 0.890 1193 L HN 0.166 nan 8.230 nan 0.000 0.432 1194 L N -1.487 119.720 121.223 -0.026 0.000 2.607 1194 L HA 0.092 4.292 4.340 -0.233 0.000 0.228 1194 L C 1.621 178.493 176.870 0.004 0.000 1.123 1194 L CA 0.791 55.636 54.840 0.008 0.000 0.890 1194 L CB -0.508 41.572 42.059 0.034 0.000 1.103 1194 L HN 0.478 nan 8.230 nan 0.000 0.468 1195 T N -6.025 108.521 114.554 -0.013 0.000 2.959 1195 T HA 0.155 4.365 4.350 -0.233 0.000 0.254 1195 T C 0.883 175.570 174.700 -0.022 0.000 1.003 1195 T CA -0.446 61.646 62.100 -0.014 0.000 0.950 1195 T CB -0.046 68.808 68.868 -0.024 0.000 1.090 1195 T HN -0.042 nan 8.240 nan 0.000 0.503 1196 N N 3.218 121.900 118.700 -0.030 0.000 2.357 1196 N HA 0.095 4.695 4.740 -0.233 0.000 0.257 1196 N C -0.205 175.296 175.510 -0.015 0.000 1.250 1196 N CA 0.426 53.457 53.050 -0.031 0.000 0.862 1196 N CB 0.729 39.189 38.487 -0.046 0.000 1.066 1196 N HN 0.574 nan 8.380 nan 0.000 0.468 1197 K N 1.147 121.541 120.400 -0.011 0.000 2.098 1197 K HA 0.044 4.224 4.320 -0.233 0.000 0.257 1197 K C -0.568 176.031 176.600 -0.001 0.000 0.999 1197 K CA -0.310 55.980 56.287 0.005 0.000 0.924 1197 K CB 0.617 33.126 32.500 0.016 0.000 1.028 1197 K HN 0.480 nan 8.250 nan 0.000 0.466 1198 D N 0.940 121.344 120.400 0.008 0.000 2.718 1198 D HA -0.155 4.345 4.640 -0.233 0.000 0.242 1198 D C -1.419 174.873 176.300 -0.013 0.000 1.123 1198 D CA 1.026 55.027 54.000 0.001 0.000 0.690 1198 D CB -0.956 39.842 40.800 -0.004 0.000 1.059 1198 D HN 0.394 nan 8.370 nan 0.000 0.429 1199 S N -0.531 115.166 115.700 -0.004 0.000 2.563 1199 S HA 0.393 4.723 4.470 -0.233 0.000 0.279 1199 S C -0.848 173.763 174.600 0.017 0.000 1.155 1199 S CA -0.675 57.520 58.200 -0.008 0.000 0.928 1199 S CB 1.752 64.937 63.200 -0.025 0.000 1.107 1199 S HN 0.004 nan 8.310 nan 0.000 0.462 1200 V N 6.927 126.864 119.914 0.038 0.000 2.353 1200 V HA 0.431 4.411 4.120 -0.233 0.000 0.264 1200 V C -2.049 174.107 176.094 0.102 0.000 1.049 1200 V CA -1.547 60.787 62.300 0.058 0.000 0.896 1200 V CB 0.770 32.616 31.823 0.040 0.000 1.025 1200 V HN 0.682 nan 8.190 nan 0.000 0.475 1201 P HA 0.362 nan 4.420 nan 0.000 0.277 1201 P C -0.723 176.664 177.300 0.146 0.000 1.240 1201 P CA -0.706 62.454 63.100 0.100 0.000 0.798 1201 P CB 1.033 32.769 31.700 0.060 0.000 0.979 1202 R N 1.701 122.323 120.500 0.203 0.000 2.480 1202 R HA 0.502 4.702 4.340 -0.233 0.000 0.306 1202 R C -1.306 175.146 176.300 0.254 0.000 0.958 1202 R CA -0.791 55.436 56.100 0.211 0.000 0.861 1202 R CB 1.111 31.539 30.300 0.214 0.000 1.171 1202 R HN 0.221 nan 8.270 nan 0.000 0.445 1203 V N 4.903 124.995 119.914 0.297 0.000 2.481 1203 V HA 0.229 4.209 4.120 -0.233 0.000 0.286 1203 V C -0.745 175.630 176.094 0.469 0.000 1.042 1203 V CA -0.642 61.907 62.300 0.415 0.000 0.928 1203 V CB 1.211 33.213 31.823 0.298 0.000 0.986 1203 V HN 0.630 nan 8.190 nan 0.000 0.462 1204 Y N 4.245 124.747 120.300 0.338 0.000 2.335 1204 Y HA 0.279 4.701 4.550 -0.212 0.000 0.339 1204 Y C 0.756 176.823 175.900 0.279 0.000 0.987 1204 Y CA -1.354 56.885 58.100 0.233 0.000 1.140 1204 Y CB 0.701 39.288 38.460 0.213 0.000 1.173 1204 Y HN 0.693 nan 8.280 nan 0.000 0.486 1205 Y N 4.605 124.684 120.300 -0.369 0.000 2.062 1205 Y HA -0.318 4.089 4.550 -0.239 0.000 0.273 1205 Y C 2.076 177.717 175.900 -0.432 0.000 1.206 1205 Y CA 2.633 60.559 58.100 -0.290 0.000 1.125 1205 Y CB -0.541 37.705 38.460 -0.357 0.000 0.951 1205 Y HN 0.814 nan 8.280 nan 0.000 0.501 1206 G N -0.947 107.110 108.800 -1.238 0.000 2.625 1206 G HA2 -0.173 3.647 3.960 -0.233 0.000 0.214 1206 G HA3 -0.173 3.647 3.960 -0.233 0.000 0.214 1206 G C 1.007 175.818 174.900 -0.147 0.000 1.132 1206 G CA 0.949 45.718 45.100 -0.551 0.000 0.782 1206 G HN 0.487 nan 8.290 nan 0.000 0.538 1207 D N -0.417 119.895 120.400 -0.147 0.000 2.367 1207 D HA 0.153 4.653 4.640 -0.233 0.000 0.207 1207 D C 2.271 178.465 176.300 -0.177 0.000 1.034 1207 D CA 0.017 53.997 54.000 -0.034 0.000 0.861 1207 D CB 0.626 41.422 40.800 -0.006 0.000 0.943 1207 D HN 0.322 nan 8.370 nan 0.000 0.515 1208 L N -1.012 120.035 121.223 -0.294 0.000 2.433 1208 L HA 0.122 4.322 4.340 -0.233 0.000 0.200 1208 L C 0.049 176.580 176.870 -0.565 0.000 1.059 1208 L CA 0.415 54.989 54.840 -0.444 0.000 0.835 1208 L CB 0.302 42.036 42.059 -0.541 0.000 1.076 1208 L HN -0.107 nan 8.230 nan 0.000 0.481 1209 Y N -0.376 119.735 120.300 -0.316 0.000 2.549 1209 Y HA 0.363 4.771 4.550 -0.237 0.000 0.339 1209 Y C 0.028 175.733 175.900 -0.324 0.000 1.053 1209 Y CA -1.064 56.812 58.100 -0.373 0.000 1.105 1209 Y CB 0.878 38.971 38.460 -0.611 0.000 1.258 1209 Y HN -0.080 nan 8.280 nan 0.000 0.478 1210 Q N 2.283 122.093 119.800 0.016 0.000 2.271 1210 Q HA -0.027 4.173 4.340 -0.233 0.000 0.273 1210 Q C 0.410 176.469 176.000 0.098 0.000 1.051 1210 Q CA -0.034 55.807 55.803 0.065 0.000 0.901 1210 Q CB 0.674 29.469 28.738 0.095 0.000 1.174 1210 Q HN 0.734 nan 8.270 nan 0.000 0.385 1211 D N 2.587 123.087 120.400 0.166 0.000 2.160 1211 D HA -0.161 4.339 4.640 -0.233 0.000 0.189 1211 D C 0.625 177.072 176.300 0.244 0.000 1.003 1211 D CA 1.484 55.644 54.000 0.266 0.000 0.846 1211 D CB 0.060 41.008 40.800 0.245 0.000 0.949 1211 D HN 0.672 nan 8.370 nan 0.000 0.446 1212 G N -0.876 107.993 108.800 0.115 0.000 2.372 1212 G HA2 0.485 4.305 3.960 -0.233 0.000 0.283 1212 G HA3 0.485 4.305 3.960 -0.233 0.000 0.283 1212 G C 0.123 174.821 174.900 -0.337 0.000 1.177 1212 G CA 0.360 45.444 45.100 -0.027 0.000 0.842 1212 G HN 0.489 nan 8.290 nan 0.000 0.503 1213 G N 0.598 108.693 108.800 -1.175 0.000 2.361 1213 G HA2 0.233 4.053 3.960 -0.233 0.000 0.331 1213 G HA3 0.233 4.053 3.960 -0.233 0.000 0.331 1213 G C -0.654 173.951 174.900 -0.490 0.000 1.324 1213 G CA -0.986 43.657 45.100 -0.762 0.000 0.984 1213 G HN 0.703 nan 8.290 nan 0.000 0.586 1214 Q N -0.979 118.746 119.800 -0.125 0.000 2.492 1214 Q HA 0.220 4.420 4.340 -0.233 0.000 0.238 1214 Q C -0.088 175.956 176.000 0.074 0.000 1.045 1214 Q CA -0.356 55.464 55.803 0.029 0.000 0.934 1214 Q CB 0.609 29.389 28.738 0.071 0.000 1.276 1214 Q HN 0.593 nan 8.270 nan 0.000 0.521 1215 Y N 1.370 121.673 120.300 0.005 0.000 2.804 1215 Y HA -0.172 4.234 4.550 -0.239 0.000 0.338 1215 Y C 0.930 176.834 175.900 0.007 0.000 1.252 1215 Y CA 1.156 59.276 58.100 0.034 0.000 1.576 1215 Y CB -0.162 38.295 38.460 -0.005 0.000 1.223 1215 Y HN 0.733 nan 8.280 nan 0.000 0.536 1216 M N 3.038 122.407 119.600 -0.385 0.000 2.872 1216 M HA -0.381 3.959 4.480 -0.233 0.000 0.200 1216 M C 1.330 177.464 176.300 -0.276 0.000 0.582 1216 M CA 1.388 56.284 55.300 -0.673 0.000 0.706 1216 M CB -0.988 31.151 32.600 -0.768 0.000 2.560 1216 M HN 0.811 nan 8.290 nan 0.000 0.476 1217 E N 0.415 120.519 120.200 -0.161 0.000 2.072 1217 E HA -0.068 4.142 4.350 -0.233 0.000 0.191 1217 E C 0.262 176.615 176.600 -0.413 0.000 0.985 1217 E CA 1.006 57.242 56.400 -0.273 0.000 0.801 1217 E CB 0.398 29.930 29.700 -0.280 0.000 0.750 1217 E HN 0.579 nan 8.360 nan 0.000 0.452 1218 H N -0.483 118.605 119.070 0.030 0.000 2.806 1218 H HA 0.344 4.760 4.556 -0.234 0.000 0.367 1218 H C -0.883 174.465 175.328 0.033 0.000 1.136 1218 H CA -0.682 55.372 56.048 0.010 0.000 1.178 1218 H CB 1.604 31.362 29.762 -0.007 0.000 1.718 1218 H HN -0.074 nan 8.280 nan 0.000 0.540 1219 K N 1.158 121.592 120.400 0.057 0.000 2.118 1219 K HA 0.259 4.439 4.320 -0.233 0.000 0.264 1219 K C 0.592 177.133 176.600 -0.099 0.000 1.000 1219 K CA -0.561 55.655 56.287 -0.118 0.000 0.929 1219 K CB 1.098 33.383 32.500 -0.360 0.000 1.021 1219 K HN 0.645 nan 8.250 nan 0.000 0.463 1220 T N -1.491 112.986 114.554 -0.129 0.000 2.788 1220 T HA 0.082 4.292 4.350 -0.233 0.000 0.287 1220 T C 1.140 175.706 174.700 -0.223 0.000 1.007 1220 T CA -0.544 61.467 62.100 -0.149 0.000 1.005 1220 T CB 0.749 69.569 68.868 -0.081 0.000 1.012 1220 T HN 0.741 nan 8.240 nan 0.000 0.530 1221 R N -0.296 119.960 120.500 -0.406 0.000 2.293 1221 R HA -0.053 4.148 4.340 -0.233 0.000 0.219 1221 R C 0.747 176.779 176.300 -0.447 0.000 1.091 1221 R CA 1.159 56.978 56.100 -0.469 0.000 1.004 1221 R CB -0.680 29.251 30.300 -0.616 0.000 0.865 1221 R HN 0.709 nan 8.270 nan 0.000 0.469 1222 Y N -0.862 119.346 120.300 -0.154 0.000 2.462 1222 Y HA 0.161 4.573 4.550 -0.230 0.000 0.261 1222 Y C 1.594 177.333 175.900 -0.268 0.000 1.146 1222 Y CA -1.193 56.775 58.100 -0.220 0.000 1.283 1222 Y CB -0.248 38.051 38.460 -0.267 0.000 1.090 1222 Y HN -0.025 nan 8.280 nan 0.000 0.526 1223 F N 1.588 121.380 119.950 -0.263 0.000 2.091 1223 F HA -0.293 4.094 4.527 -0.233 0.000 0.299 1223 F C 1.804 177.415 175.800 -0.316 0.000 1.103 1223 F CA 2.015 59.797 58.000 -0.364 0.000 1.228 1223 F CB -0.002 38.766 39.000 -0.387 0.000 0.984 1223 F HN -0.014 nan 8.300 nan 0.000 0.477 1224 D N -0.555 119.845 120.400 -0.000 0.000 2.117 1224 D HA -0.132 4.368 4.640 -0.233 0.000 0.198 1224 D C 2.319 178.485 176.300 -0.223 0.000 0.982 1224 D CA 1.921 55.870 54.000 -0.084 0.000 0.828 1224 D CB -0.699 40.081 40.800 -0.033 0.000 0.967 1224 D HN 0.293 nan 8.370 nan 0.000 0.464 1225 T N 1.265 115.700 114.554 -0.198 0.000 2.674 1225 T HA -0.087 4.123 4.350 -0.233 0.000 0.265 1225 T C 2.248 176.783 174.700 -0.275 0.000 1.039 1225 T CA 0.758 62.738 62.100 -0.200 0.000 1.150 1225 T CB -0.202 68.589 68.868 -0.128 0.000 0.864 1225 T HN 0.144 nan 8.240 nan 0.000 0.427 1226 I N 1.593 121.932 120.570 -0.385 0.000 2.286 1226 I HA -0.149 3.881 4.170 -0.233 0.000 0.245 1226 I C 2.969 178.739 176.117 -0.579 0.000 1.104 1226 I CA 1.530 62.530 61.300 -0.500 0.000 1.397 1226 I CB -0.796 36.772 38.000 -0.720 0.000 1.072 1226 I HN 0.402 nan 8.210 nan 0.000 0.417 1227 T N -1.241 112.837 114.554 -0.793 0.000 2.867 1227 T HA -0.175 4.036 4.350 -0.233 0.000 0.268 1227 T C 1.732 176.185 174.700 -0.412 0.000 1.057 1227 T CA 1.541 63.135 62.100 -0.844 0.000 1.136 1227 T CB -0.542 67.640 68.868 -1.143 0.000 0.874 1227 T HN 0.233 nan 8.240 nan 0.000 0.466 1228 N N 1.810 120.330 118.700 -0.300 0.000 2.025 1228 N HA -0.041 4.559 4.740 -0.233 0.000 0.194 1228 N C 1.858 177.293 175.510 -0.126 0.000 1.044 1228 N CA 1.641 54.595 53.050 -0.161 0.000 0.851 1228 N CB -0.817 37.585 38.487 -0.142 0.000 1.036 1228 N HN 0.478 nan 8.380 nan 0.000 0.422 1229 L N 0.068 121.198 121.223 -0.156 0.000 2.043 1229 L HA -0.212 3.988 4.340 -0.233 0.000 0.212 1229 L C 2.419 179.246 176.870 -0.072 0.000 1.075 1229 L CA 1.028 55.807 54.840 -0.102 0.000 0.752 1229 L CB -0.485 41.514 42.059 -0.100 0.000 0.891 1229 L HN 0.248 nan 8.230 nan 0.000 0.432 1230 L N -0.604 120.537 121.223 -0.137 0.000 2.027 1230 L HA -0.212 3.989 4.340 -0.233 0.000 0.206 1230 L C 2.656 179.534 176.870 0.013 0.000 1.074 1230 L CA 1.447 56.239 54.840 -0.080 0.000 0.745 1230 L CB -0.422 41.524 42.059 -0.189 0.000 0.898 1230 L HN 0.178 nan 8.230 nan 0.000 0.433 1231 K N -0.804 119.607 120.400 0.018 0.000 2.097 1231 K HA -0.105 4.076 4.320 -0.233 0.000 0.205 1231 K C 2.022 178.678 176.600 0.093 0.000 1.050 1231 K CA 1.698 58.031 56.287 0.076 0.000 0.938 1231 K CB -0.383 32.166 32.500 0.081 0.000 0.718 1231 K HN 0.304 nan 8.250 nan 0.000 0.442 1232 T N 1.189 115.806 114.554 0.106 0.000 2.788 1232 T HA -0.147 4.064 4.350 -0.233 0.000 0.268 1232 T C 1.836 176.664 174.700 0.213 0.000 1.044 1232 T CA 1.032 63.265 62.100 0.222 0.000 1.139 1232 T CB -0.121 68.816 68.868 0.115 0.000 0.867 1232 T HN 0.272 nan 8.240 nan 0.000 0.454 1233 R N 0.629 121.194 120.500 0.109 0.000 2.094 1233 R HA -0.123 4.077 4.340 -0.233 0.000 0.239 1233 R C 2.386 178.741 176.300 0.092 0.000 1.137 1233 R CA 1.555 57.711 56.100 0.093 0.000 0.943 1233 R CB -0.750 29.586 30.300 0.059 0.000 0.850 1233 R HN 0.223 nan 8.270 nan 0.000 0.433 1234 V N 1.332 121.290 119.914 0.074 0.000 2.282 1234 V HA -0.314 3.666 4.120 -0.233 0.000 0.249 1234 V C 2.453 178.555 176.094 0.013 0.000 1.057 1234 V CA 2.383 64.712 62.300 0.048 0.000 1.032 1234 V CB -0.492 31.359 31.823 0.047 0.000 0.645 1234 V HN 0.440 nan 8.190 nan 0.000 0.447 1235 K N -1.605 118.787 120.400 -0.015 0.000 2.137 1235 K HA -0.088 4.093 4.320 -0.233 0.000 0.202 1235 K C 1.767 178.199 176.600 -0.280 0.000 1.052 1235 K CA 1.474 57.636 56.287 -0.209 0.000 0.961 1235 K CB -0.001 32.294 32.500 -0.341 0.000 0.741 1235 K HN 0.579 nan 8.250 nan 0.000 0.452 1236 Y N -0.971 119.349 120.300 0.033 0.000 2.452 1236 Y HA 0.252 4.662 4.550 -0.234 0.000 0.262 1236 Y C -0.073 175.856 175.900 0.049 0.000 1.089 1236 Y CA -0.724 57.400 58.100 0.041 0.000 1.262 1236 Y CB 1.158 39.638 38.460 0.034 0.000 1.236 1236 Y HN -0.284 nan 8.280 nan 0.000 0.512 1237 V N 2.075 122.101 119.914 0.186 0.000 2.368 1237 V HA 0.727 4.707 4.120 -0.233 0.000 0.266 1237 V C 0.073 176.227 176.094 0.099 0.000 1.045 1237 V CA -0.174 62.201 62.300 0.125 0.000 0.899 1237 V CB 0.016 31.892 31.823 0.089 0.000 1.006 1237 V HN 0.271 nan 8.190 nan 0.000 0.470 1238 A N 4.059 126.942 122.820 0.104 0.000 2.540 1238 A HA 0.922 5.103 4.320 -0.233 0.000 0.291 1238 A C 0.132 177.790 177.584 0.123 0.000 1.083 1238 A CA 0.039 52.136 52.037 0.101 0.000 0.650 1238 A CB 0.869 19.930 19.000 0.102 0.000 1.292 1238 A HN 2.077 nan 8.150 nan 0.000 0.435 1239 G N -0.813 108.062 108.800 0.124 0.000 2.645 1239 G HA2 0.357 4.177 3.960 -0.233 0.000 0.246 1239 G HA3 0.357 4.177 3.960 -0.233 0.000 0.246 1239 G C 0.905 175.908 174.900 0.173 0.000 1.322 1239 G CA 0.296 45.493 45.100 0.162 0.000 0.898 1239 G HN 2.406 nan 8.290 nan 0.000 0.573 1240 G N -0.970 107.998 108.800 0.280 0.000 2.667 1240 G HA2 0.518 4.339 3.960 -0.233 0.000 0.250 1240 G HA3 0.518 4.339 3.960 -0.233 0.000 0.250 1240 G C 0.073 175.067 174.900 0.156 0.000 1.212 1240 G CA 0.974 46.252 45.100 0.296 0.000 0.874 1240 G HN 0.956 nan 8.290 nan 0.000 0.561 1241 Q N -1.271 118.579 119.800 0.083 0.000 2.359 1241 Q HA 0.559 4.760 4.340 -0.233 0.000 0.274 1241 Q C -0.798 175.188 176.000 -0.023 0.000 1.074 1241 Q CA -0.799 54.961 55.803 -0.073 0.000 0.810 1241 Q CB 2.065 30.780 28.738 -0.039 0.000 1.342 1241 Q HN 0.718 nan 8.270 nan 0.000 0.427 1242 T N 0.699 115.186 114.554 -0.112 0.000 2.893 1242 T HA 0.789 4.999 4.350 -0.233 0.000 0.291 1242 T C -0.373 174.308 174.700 -0.032 0.000 1.028 1242 T CA -0.809 61.284 62.100 -0.011 0.000 0.995 1242 T CB 1.334 70.244 68.868 0.070 0.000 1.051 1242 T HN 0.607 nan 8.240 nan 0.000 0.470 1243 M N 2.538 122.138 119.600 0.000 0.000 2.324 1243 M HA 0.561 4.901 4.480 -0.233 0.000 0.288 1243 M C -0.968 175.342 176.300 0.017 0.000 1.097 1243 M CA -0.643 54.655 55.300 -0.003 0.000 0.928 1243 M CB 2.673 35.265 32.600 -0.013 0.000 1.648 1243 M HN 1.035 nan 8.290 nan 0.000 0.460 1244 S N 1.360 117.073 115.700 0.023 0.000 2.607 1244 S HA 0.852 5.182 4.470 -0.233 0.000 0.273 1244 S C -1.274 173.340 174.600 0.023 0.000 1.148 1244 S CA -0.881 57.336 58.200 0.029 0.000 0.833 1244 S CB 2.269 65.498 63.200 0.049 0.000 1.130 1244 S HN 0.432 nan 8.310 nan 0.000 0.470 1245 V N 2.741 122.667 119.914 0.021 0.000 2.444 1245 V HA 0.420 4.401 4.120 -0.233 0.000 0.294 1245 V C -0.445 175.661 176.094 0.021 0.000 1.022 1245 V CA -0.627 61.683 62.300 0.018 0.000 0.850 1245 V CB 1.260 33.090 31.823 0.012 0.000 0.992 1245 V HN 1.097 nan 8.190 nan 0.000 0.426 1246 D N 5.256 125.669 120.400 0.021 0.000 2.376 1246 D HA 0.166 4.666 4.640 -0.233 0.000 0.268 1246 D C 0.974 177.283 176.300 0.016 0.000 1.252 1246 D CA -0.442 53.572 54.000 0.022 0.000 1.041 1246 D CB 0.675 41.489 40.800 0.023 0.000 1.109 1246 D HN 0.174 nan 8.370 nan 0.000 0.552 1247 K N -0.641 119.767 120.400 0.014 0.000 2.283 1247 K HA -0.014 4.166 4.320 -0.233 0.000 0.202 1247 K C 0.866 177.469 176.600 0.005 0.000 1.048 1247 K CA 0.565 56.858 56.287 0.009 0.000 0.948 1247 K CB -0.451 32.055 32.500 0.009 0.000 0.742 1247 K HN 0.407 nan 8.250 nan 0.000 0.458 1248 N N 0.347 119.049 118.700 0.003 0.000 2.322 1248 N HA 0.016 4.616 4.740 -0.233 0.000 0.194 1248 N C 0.666 176.176 175.510 -0.000 0.000 1.126 1248 N CA 0.753 53.801 53.050 -0.002 0.000 0.845 1248 N CB 0.805 39.287 38.487 -0.008 0.000 0.976 1248 N HN 0.358 nan 8.380 nan 0.000 0.475 1249 G N 1.264 110.067 108.800 0.004 0.000 2.147 1249 G HA2 -0.271 3.549 3.960 -0.233 0.000 0.244 1249 G HA3 -0.271 3.549 3.960 -0.233 0.000 0.244 1249 G C -0.038 174.869 174.900 0.012 0.000 1.005 1249 G CA -0.205 44.898 45.100 0.007 0.000 0.713 1249 G HN 0.334 nan 8.290 nan 0.000 0.515 1250 I N 0.560 121.138 120.570 0.013 0.000 2.315 1250 I HA 0.427 4.457 4.170 -0.233 0.000 0.291 1250 I C 0.542 176.672 176.117 0.022 0.000 1.006 1250 I CA -1.022 60.291 61.300 0.022 0.000 1.265 1250 I CB 1.353 39.363 38.000 0.017 0.000 1.387 1250 I HN 0.124 nan 8.210 nan 0.000 0.475 1251 L N 7.779 129.017 121.223 0.024 0.000 2.331 1251 L HA 0.394 4.595 4.340 -0.233 0.000 0.278 1251 L C 0.227 177.105 176.870 0.014 0.000 1.106 1251 L CA 0.476 55.326 54.840 0.016 0.000 0.824 1251 L CB 0.953 43.017 42.059 0.009 0.000 1.142 1251 L HN 0.694 nan 8.230 nan 0.000 0.443 1252 T N 1.760 116.318 114.554 0.006 0.000 2.786 1252 T HA 0.516 4.726 4.350 -0.233 0.000 0.283 1252 T C -0.419 174.270 174.700 -0.017 0.000 0.992 1252 T CA -0.775 61.322 62.100 -0.005 0.000 0.954 1252 T CB 0.934 69.794 68.868 -0.014 0.000 0.934 1252 T HN 0.617 nan 8.240 nan 0.000 0.440 1253 N N 2.202 120.883 118.700 -0.032 0.000 2.354 1253 N HA 0.571 5.172 4.740 -0.233 0.000 0.287 1253 N C -1.568 173.888 175.510 -0.091 0.000 1.016 1253 N CA -0.669 52.348 53.050 -0.055 0.000 0.871 1253 N CB 1.821 40.280 38.487 -0.047 0.000 1.299 1253 N HN 0.558 nan 8.380 nan 0.000 0.482 1254 V N 3.769 123.588 119.914 -0.158 0.000 2.638 1254 V HA 0.600 4.581 4.120 -0.233 0.000 0.306 1254 V C -0.430 175.421 176.094 -0.404 0.000 1.052 1254 V CA -0.864 61.268 62.300 -0.280 0.000 0.885 1254 V CB 1.641 33.237 31.823 -0.377 0.000 0.999 1254 V HN 0.568 nan 8.190 nan 0.000 0.424 1255 R N 2.864 123.175 120.500 -0.316 0.000 2.589 1255 R HA 0.506 4.706 4.340 -0.233 0.000 0.293 1255 R C -0.163 176.001 176.300 -0.228 0.000 0.963 1255 R CA -0.635 55.304 56.100 -0.268 0.000 0.905 1255 R CB 1.350 31.610 30.300 -0.067 0.000 1.144 1255 R HN 0.624 nan 8.270 nan 0.000 0.459 1256 F N 0.298 120.330 119.950 0.136 0.000 2.743 1256 F HA 0.212 4.600 4.527 -0.232 0.000 0.297 1256 F C 1.473 177.444 175.800 0.286 0.000 1.131 1256 F CA 0.699 58.828 58.000 0.214 0.000 1.426 1256 F CB 0.029 39.131 39.000 0.172 0.000 1.116 1256 F HN 0.848 nan 8.300 nan 0.000 0.583 1257 G N 1.006 110.008 108.800 0.336 0.000 2.730 1257 G HA2 -0.230 3.590 3.960 -0.233 0.000 0.686 1257 G HA3 -0.230 3.590 3.960 -0.233 0.000 0.686 1257 G C -0.488 174.538 174.900 0.210 0.000 1.343 1257 G CA -0.847 44.416 45.100 0.272 0.000 0.826 1257 G HN 0.271 nan 8.290 nan 0.000 0.582 1258 K N 0.421 120.910 120.400 0.148 0.000 2.401 1258 K HA 0.469 4.650 4.320 -0.233 0.000 0.278 1258 K C 1.512 178.167 176.600 0.092 0.000 1.018 1258 K CA 1.145 57.496 56.287 0.108 0.000 0.981 1258 K CB 0.107 32.654 32.500 0.078 0.000 0.933 1258 K HN 2.417 nan 8.250 nan 0.000 0.477 1259 G N 1.462 110.308 108.800 0.076 0.000 2.176 1259 G HA2 -0.183 3.637 3.960 -0.233 0.000 0.232 1259 G HA3 -0.183 3.637 3.960 -0.233 0.000 0.232 1259 G C -0.301 174.623 174.900 0.041 0.000 0.986 1259 G CA -0.012 45.118 45.100 0.050 0.000 0.643 1259 G HN 0.922 nan 8.290 nan 0.000 0.522 1260 A N -0.161 122.702 122.820 0.071 0.000 2.375 1260 A HA 0.785 4.966 4.320 -0.233 0.000 0.295 1260 A C 0.740 178.379 177.584 0.093 0.000 1.066 1260 A CA -0.140 51.919 52.037 0.037 0.000 0.722 1260 A CB 0.850 19.855 19.000 0.008 0.000 1.206 1260 A HN 0.117 nan 8.150 nan 0.000 0.435 1261 M N 0.863 120.484 119.600 0.036 0.000 2.486 1261 M HA 0.130 4.471 4.480 -0.233 0.000 0.264 1261 M C 0.127 176.468 176.300 0.068 0.000 1.125 1261 M CA 0.882 56.240 55.300 0.096 0.000 1.144 1261 M CB -0.543 32.092 32.600 0.058 0.000 1.353 1261 M HN 0.691 nan 8.290 nan 0.000 0.466 1262 N N -0.475 118.103 118.700 -0.202 0.000 2.402 1262 N HA 0.394 4.994 4.740 -0.233 0.000 0.294 1262 N C 0.500 175.406 175.510 -1.006 0.000 1.203 1262 N CA -0.043 52.782 53.050 -0.374 0.000 0.838 1262 N CB 1.507 39.878 38.487 -0.192 0.000 1.306 1262 N HN -0.074 nan 8.380 nan 0.000 0.510 1263 A N -0.105 122.219 122.820 -0.827 0.000 2.125 1263 A HA -0.136 4.044 4.320 -0.233 0.000 0.219 1263 A C 1.655 179.049 177.584 -0.316 0.000 1.156 1263 A CA 2.082 53.760 52.037 -0.598 0.000 0.671 1263 A CB -0.724 18.245 19.000 -0.052 0.000 0.794 1263 A HN 0.778 nan 8.150 nan 0.000 0.459 1264 T N -3.507 110.893 114.554 -0.256 0.000 3.014 1264 T HA 0.096 4.306 4.350 -0.233 0.000 0.250 1264 T C 0.156 174.771 174.700 -0.141 0.000 1.060 1264 T CA -0.052 61.960 62.100 -0.147 0.000 1.040 1264 T CB -0.164 68.646 68.868 -0.097 0.000 0.971 1264 T HN 0.209 nan 8.240 nan 0.000 0.497 1265 D N 3.345 123.632 120.400 -0.188 0.000 2.458 1265 D HA 0.118 4.618 4.640 -0.233 0.000 0.243 1265 D C 1.375 177.600 176.300 -0.125 0.000 1.146 1265 D CA 0.465 54.381 54.000 -0.140 0.000 0.877 1265 D CB 1.693 42.405 40.800 -0.147 0.000 1.176 1265 D HN 0.438 nan 8.370 nan 0.000 0.461 1266 T N -0.289 114.216 114.554 -0.083 0.000 3.088 1266 T HA 0.288 4.499 4.350 -0.233 0.000 0.259 1266 T C 1.205 175.862 174.700 -0.072 0.000 1.122 1266 T CA 0.110 62.167 62.100 -0.073 0.000 1.095 1266 T CB -0.028 68.811 68.868 -0.048 0.000 0.930 1266 T HN 0.673 nan 8.240 nan 0.000 0.508 1267 G N 1.645 110.410 108.800 -0.059 0.000 2.697 1267 G HA2 -0.118 3.703 3.960 -0.233 0.000 0.240 1267 G HA3 -0.118 3.703 3.960 -0.233 0.000 0.240 1267 G C 0.075 174.961 174.900 -0.023 0.000 1.346 1267 G CA 0.006 45.085 45.100 -0.036 0.000 0.887 1267 G HN 1.092 nan 8.290 nan 0.000 0.569 1268 T N -3.607 110.942 114.554 -0.007 0.000 2.893 1268 T HA 0.604 4.814 4.350 -0.233 0.000 0.281 1268 T C 1.096 175.795 174.700 -0.002 0.000 1.027 1268 T CA 0.837 62.936 62.100 -0.001 0.000 0.953 1268 T CB 1.008 69.882 68.868 0.010 0.000 1.434 1268 T HN 0.423 nan 8.240 nan 0.000 0.597 1269 D N 0.742 121.144 120.400 0.003 0.000 2.092 1269 D HA -0.116 4.385 4.640 -0.233 0.000 0.193 1269 D C 2.098 178.405 176.300 0.012 0.000 0.994 1269 D CA 1.903 55.906 54.000 0.005 0.000 0.828 1269 D CB -0.249 40.555 40.800 0.006 0.000 0.963 1269 D HN 0.910 nan 8.370 nan 0.000 0.450 1270 E N -0.163 120.048 120.200 0.018 0.000 2.427 1270 E HA -0.068 4.142 4.350 -0.233 0.000 0.196 1270 E C 1.369 177.998 176.600 0.049 0.000 1.028 1270 E CA 0.902 57.319 56.400 0.027 0.000 0.864 1270 E CB -0.254 29.460 29.700 0.024 0.000 0.813 1270 E HN 0.078 nan 8.360 nan 0.000 0.514 1271 T N 1.027 115.608 114.554 0.045 0.000 2.788 1271 T HA -0.188 4.022 4.350 -0.233 0.000 0.268 1271 T C 1.705 176.466 174.700 0.102 0.000 1.044 1271 T CA 1.418 63.561 62.100 0.072 0.000 1.139 1271 T CB -0.229 68.648 68.868 0.016 0.000 0.867 1271 T HN 0.124 nan 8.240 nan 0.000 0.454 1272 R N 1.979 122.503 120.500 0.040 0.000 2.115 1272 R HA -0.130 4.071 4.340 -0.233 0.000 0.239 1272 R C 2.092 178.507 176.300 0.192 0.000 1.133 1272 R CA 2.399 58.531 56.100 0.053 0.000 0.935 1272 R CB -1.203 29.114 30.300 0.029 0.000 0.853 1272 R HN 0.531 nan 8.270 nan 0.000 0.433 1273 T N -2.049 112.590 114.554 0.142 0.000 3.251 1273 T HA 0.301 4.511 4.350 -0.233 0.000 0.259 1273 T C -0.093 174.745 174.700 0.230 0.000 0.998 1273 T CA -0.493 61.693 62.100 0.142 0.000 0.905 1273 T CB -0.148 68.770 68.868 0.082 0.000 1.067 1273 T HN 0.277 nan 8.240 nan 0.000 0.569 1274 E N 0.328 120.696 120.200 0.280 0.000 2.334 1274 E HA 0.678 4.889 4.350 -0.233 0.000 0.256 1274 E C 0.297 177.091 176.600 0.322 0.000 0.958 1274 E CA -1.127 55.459 56.400 0.311 0.000 0.821 1274 E CB 1.682 31.507 29.700 0.208 0.000 1.269 1274 E HN 0.431 nan 8.360 nan 0.000 0.413 1275 G N 0.066 109.029 108.800 0.273 0.000 2.710 1275 G HA2 -0.084 3.736 3.960 -0.233 0.000 0.668 1275 G HA3 -0.084 3.736 3.960 -0.233 0.000 0.668 1275 G C -1.119 173.848 174.900 0.111 0.000 1.320 1275 G CA -0.367 44.842 45.100 0.181 0.000 0.860 1275 G HN 0.551 nan 8.290 nan 0.000 0.538 1276 I N -0.421 120.175 120.570 0.043 0.000 2.842 1276 I HA 0.684 4.715 4.170 -0.233 0.000 0.297 1276 I C 0.132 176.246 176.117 -0.006 0.000 1.380 1276 I CA -0.210 61.105 61.300 0.024 0.000 1.018 1276 I CB 2.161 40.160 38.000 -0.001 0.000 1.311 1276 I HN 1.517 nan 8.210 nan 0.000 0.439 1277 G N 5.362 114.187 108.800 0.042 0.000 2.590 1277 G HA2 0.660 4.480 3.960 -0.233 0.000 0.310 1277 G HA3 0.660 4.480 3.960 -0.233 0.000 0.310 1277 G C -1.928 173.021 174.900 0.082 0.000 1.347 1277 G CA -0.417 44.694 45.100 0.018 0.000 0.963 1277 G HN 0.408 nan 8.290 nan 0.000 0.494 1278 V N 2.141 122.070 119.914 0.025 0.000 2.638 1278 V HA 0.541 4.522 4.120 -0.233 0.000 0.306 1278 V C -0.495 175.608 176.094 0.016 0.000 1.052 1278 V CA -0.692 61.616 62.300 0.014 0.000 0.885 1278 V CB 2.026 33.834 31.823 -0.025 0.000 0.999 1278 V HN 0.598 nan 8.190 nan 0.000 0.424 1279 V N 6.384 126.314 119.914 0.026 0.000 2.407 1279 V HA 0.579 4.560 4.120 -0.233 0.000 0.291 1279 V C -0.389 175.747 176.094 0.070 0.000 1.018 1279 V CA -0.344 61.990 62.300 0.057 0.000 0.842 1279 V CB 1.625 33.505 31.823 0.094 0.000 0.996 1279 V HN 0.688 nan 8.190 nan 0.000 0.426 1280 I N 3.434 124.045 120.570 0.069 0.000 2.545 1280 I HA 0.629 4.659 4.170 -0.233 0.000 0.292 1280 I C -0.159 176.018 176.117 0.101 0.000 1.040 1280 I CA -0.200 61.140 61.300 0.066 0.000 1.068 1280 I CB 2.335 40.343 38.000 0.013 0.000 1.251 1280 I HN 0.641 nan 8.210 nan 0.000 0.424 1281 S N 3.151 118.933 115.700 0.137 0.000 2.570 1281 S HA 0.418 4.749 4.470 -0.233 0.000 0.286 1281 S C -0.152 174.498 174.600 0.083 0.000 1.099 1281 S CA -0.714 57.549 58.200 0.104 0.000 0.913 1281 S CB 1.280 64.554 63.200 0.123 0.000 1.085 1281 S HN 0.726 nan 8.310 nan 0.000 0.480 1282 N N 2.279 121.008 118.700 0.049 0.000 2.238 1282 N HA 0.133 4.733 4.740 -0.233 0.000 0.222 1282 N C -0.604 174.920 175.510 0.023 0.000 1.133 1282 N CA -0.308 52.761 53.050 0.032 0.000 0.854 1282 N CB -0.266 38.227 38.487 0.009 0.000 1.041 1282 N HN 0.379 nan 8.380 nan 0.000 0.510 1283 N N 1.041 119.762 118.700 0.035 0.000 2.609 1283 N HA 0.081 4.681 4.740 -0.233 0.000 0.234 1283 N C 0.851 176.376 175.510 0.025 0.000 1.001 1283 N CA -0.068 52.992 53.050 0.016 0.000 0.926 1283 N CB 0.996 39.486 38.487 0.005 0.000 1.130 1283 N HN 0.229 nan 8.380 nan 0.000 0.510 1284 T N 0.388 114.956 114.554 0.022 0.000 2.897 1284 T HA -0.125 4.086 4.350 -0.233 0.000 0.271 1284 T C 0.835 175.533 174.700 -0.003 0.000 1.084 1284 T CA 1.279 63.397 62.100 0.031 0.000 1.123 1284 T CB -0.235 68.650 68.868 0.029 0.000 0.865 1284 T HN 0.492 nan 8.240 nan 0.000 0.496 1285 N N 0.395 119.085 118.700 -0.017 0.000 2.270 1285 N HA 0.314 4.914 4.740 -0.233 0.000 0.198 1285 N C -0.250 175.232 175.510 -0.048 0.000 1.117 1285 N CA -0.444 52.586 53.050 -0.034 0.000 0.845 1285 N CB 0.031 38.502 38.487 -0.026 0.000 0.980 1285 N HN 0.235 nan 8.380 nan 0.000 0.486 1286 L N 1.787 122.983 121.223 -0.045 0.000 2.640 1286 L HA -0.054 4.147 4.340 -0.233 0.000 0.280 1286 L C -0.333 176.484 176.870 -0.088 0.000 1.229 1286 L CA 1.071 55.877 54.840 -0.057 0.000 0.919 1286 L CB 0.073 42.102 42.059 -0.050 0.000 1.168 1286 L HN 0.012 nan 8.230 nan 0.000 0.496 1287 K N 5.496 125.853 120.400 -0.072 0.000 2.565 1287 K HA 0.469 4.650 4.320 -0.233 0.000 0.249 1287 K C -1.318 175.246 176.600 -0.059 0.000 0.958 1287 K CA -0.583 55.659 56.287 -0.075 0.000 0.806 1287 K CB 1.367 33.832 32.500 -0.058 0.000 1.194 1287 K HN 0.495 nan 8.250 nan 0.000 0.434 1288 L N 2.882 124.067 121.223 -0.063 0.000 2.350 1288 L HA 0.296 4.496 4.340 -0.233 0.000 0.275 1288 L C 0.433 177.283 176.870 -0.033 0.000 1.099 1288 L CA -0.913 53.901 54.840 -0.043 0.000 0.808 1288 L CB 0.409 42.444 42.059 -0.041 0.000 1.149 1288 L HN 0.522 nan 8.230 nan 0.000 0.442 1289 N N 1.332 120.018 118.700 -0.024 0.000 2.415 1289 N HA 0.041 4.641 4.740 -0.233 0.000 0.248 1289 N C -0.622 174.878 175.510 -0.016 0.000 1.271 1289 N CA -0.419 52.620 53.050 -0.019 0.000 0.913 1289 N CB 0.394 38.872 38.487 -0.015 0.000 1.129 1289 N HN 0.465 nan 8.380 nan 0.000 0.444 1290 D N 0.022 120.413 120.400 -0.015 0.000 2.488 1290 D HA 0.189 4.689 4.640 -0.233 0.000 0.238 1290 D C 1.504 177.797 176.300 -0.013 0.000 1.138 1290 D CA 1.120 55.112 54.000 -0.014 0.000 0.873 1290 D CB 0.338 41.129 40.800 -0.014 0.000 1.183 1290 D HN 0.715 nan 8.370 nan 0.000 0.458 1291 G N 2.457 111.249 108.800 -0.013 0.000 2.454 1291 G HA2 -0.281 3.539 3.960 -0.233 0.000 0.225 1291 G HA3 -0.281 3.539 3.960 -0.233 0.000 0.225 1291 G C 0.329 175.225 174.900 -0.007 0.000 1.138 1291 G CA -0.034 45.058 45.100 -0.014 0.000 0.667 1291 G HN 0.566 nan 8.290 nan 0.000 0.512 1292 E N 1.556 121.754 120.200 -0.003 0.000 2.436 1292 E HA 0.432 4.642 4.350 -0.233 0.000 0.262 1292 E C 0.578 177.186 176.600 0.014 0.000 1.063 1292 E CA 1.021 57.424 56.400 0.005 0.000 0.944 1292 E CB 0.938 30.637 29.700 -0.002 0.000 0.950 1292 E HN 0.821 nan 8.360 nan 0.000 0.444 1293 S N -0.124 115.593 115.700 0.029 0.000 2.671 1293 S HA 0.540 4.871 4.470 -0.233 0.000 0.277 1293 S C -0.981 173.649 174.600 0.049 0.000 1.165 1293 S CA -0.992 57.240 58.200 0.053 0.000 0.822 1293 S CB 1.523 64.777 63.200 0.090 0.000 1.150 1293 S HN 0.181 nan 8.310 nan 0.000 0.479 1294 V N 1.609 121.566 119.914 0.071 0.000 2.407 1294 V HA 0.553 4.534 4.120 -0.233 0.000 0.291 1294 V C -0.853 175.245 176.094 0.006 0.000 1.018 1294 V CA -0.568 61.763 62.300 0.051 0.000 0.842 1294 V CB 1.400 33.270 31.823 0.079 0.000 0.996 1294 V HN 0.793 nan 8.190 nan 0.000 0.426 1295 V N 6.023 125.853 119.914 -0.140 0.000 2.370 1295 V HA 0.433 4.414 4.120 -0.233 0.000 0.283 1295 V C -0.221 175.609 176.094 -0.440 0.000 1.023 1295 V CA -0.685 61.364 62.300 -0.418 0.000 0.857 1295 V CB 1.697 33.184 31.823 -0.560 0.000 0.985 1295 V HN 0.500 nan 8.190 nan 0.000 0.443 1296 L N 5.105 126.096 121.223 -0.386 0.000 2.264 1296 L HA 0.416 4.616 4.340 -0.233 0.000 0.289 1296 L C 0.317 176.953 176.870 -0.390 0.000 1.044 1296 L CA -0.113 54.544 54.840 -0.305 0.000 0.807 1296 L CB 0.823 42.773 42.059 -0.181 0.000 1.192 1296 L HN 0.630 nan 8.230 nan 0.000 0.425 1297 H N 5.898 124.935 119.070 -0.055 0.000 3.014 1297 H HA 0.126 4.542 4.556 -0.233 0.000 0.266 1297 H C 0.953 176.352 175.328 0.118 0.000 1.455 1297 H CA -0.396 55.663 56.048 0.017 0.000 1.402 1297 H CB 0.926 30.729 29.762 0.067 0.000 1.626 1297 H HN 0.469 nan 8.280 nan 0.000 0.520 1298 M N 0.800 120.477 119.600 0.128 0.000 2.394 1298 M HA 0.072 4.413 4.480 -0.233 0.000 0.264 1298 M C 1.314 177.937 176.300 0.538 0.000 1.073 1298 M CA 0.612 56.026 55.300 0.191 0.000 1.111 1298 M CB -0.432 32.124 32.600 -0.074 0.000 1.401 1298 M HN 0.760 nan 8.290 nan 0.000 0.448 1299 G N -0.882 108.160 108.800 0.403 0.000 2.462 1299 G HA2 0.096 3.916 3.960 -0.233 0.000 0.685 1299 G HA3 0.096 3.916 3.960 -0.233 0.000 0.685 1299 G C 0.256 175.249 174.900 0.154 0.000 1.295 1299 G CA -0.244 45.019 45.100 0.271 0.000 0.941 1299 G HN 0.325 nan 8.290 nan 0.000 0.554 1300 A N -0.588 122.243 122.820 0.017 0.000 2.119 1300 A HA 0.512 4.693 4.320 -0.233 0.000 0.217 1300 A C 2.535 180.098 177.584 -0.036 0.000 1.153 1300 A CA 2.273 54.307 52.037 -0.005 0.000 0.692 1300 A CB -0.444 18.530 19.000 -0.043 0.000 0.799 1300 A HN 2.347 nan 8.150 nan 0.000 0.458 1301 A N -1.596 121.161 122.820 -0.104 0.000 2.238 1301 A HA 0.089 4.269 4.320 -0.233 0.000 0.208 1301 A C 1.034 178.390 177.584 -0.380 0.000 1.177 1301 A CA 0.445 52.326 52.037 -0.260 0.000 0.804 1301 A CB -0.306 18.481 19.000 -0.354 0.000 0.823 1301 A HN 0.556 nan 8.150 nan 0.000 0.482 1302 H N 0.074 119.233 119.070 0.148 0.000 2.562 1302 H HA 0.200 4.617 4.556 -0.233 0.000 0.249 1302 H C -0.602 174.837 175.328 0.184 0.000 1.195 1302 H CA -0.382 55.792 56.048 0.210 0.000 0.938 1302 H CB 0.043 30.007 29.762 0.337 0.000 1.891 1302 H HN 0.407 nan 8.280 nan 0.000 0.595 1303 K N 1.089 121.600 120.400 0.185 0.000 2.295 1303 K HA 0.035 4.215 4.320 -0.233 0.000 0.270 1303 K C 0.376 177.070 176.600 0.156 0.000 1.011 1303 K CA -0.215 56.159 56.287 0.146 0.000 0.953 1303 K CB 0.833 33.385 32.500 0.087 0.000 0.956 1303 K HN 0.321 nan 8.250 nan 0.000 0.477 1304 N N 1.935 120.723 118.700 0.147 0.000 2.686 1304 N HA -0.274 4.326 4.740 -0.233 0.000 0.261 1304 N C -0.923 174.712 175.510 0.209 0.000 1.001 1304 N CA 0.490 53.631 53.050 0.151 0.000 0.764 1304 N CB -0.687 37.859 38.487 0.099 0.000 0.898 1304 N HN 0.516 nan 8.380 nan 0.000 0.544 1305 Q N 0.679 120.644 119.800 0.276 0.000 2.356 1305 Q HA 0.326 4.526 4.340 -0.233 0.000 0.270 1305 Q C -0.888 175.270 176.000 0.264 0.000 1.058 1305 Q CA -0.981 54.986 55.803 0.273 0.000 0.802 1305 Q CB 1.297 30.214 28.738 0.297 0.000 1.303 1305 Q HN 0.203 nan 8.270 nan 0.000 0.444 1306 K N 2.846 123.301 120.400 0.093 0.000 2.383 1306 K HA 0.141 4.322 4.320 -0.233 0.000 0.286 1306 K C -1.506 174.987 176.600 -0.178 0.000 1.051 1306 K CA 0.215 56.375 56.287 -0.212 0.000 0.974 1306 K CB 0.359 32.739 32.500 -0.200 0.000 0.968 1306 K HN 0.451 nan 8.250 nan 0.000 0.475 1307 Y N 2.428 122.607 120.300 -0.202 0.000 2.509 1307 Y HA 0.434 4.844 4.550 -0.234 0.000 0.341 1307 Y C -0.165 175.787 175.900 0.087 0.000 1.038 1307 Y CA -0.708 57.379 58.100 -0.021 0.000 1.089 1307 Y CB 1.696 40.160 38.460 0.007 0.000 1.241 1307 Y HN 0.574 nan 8.280 nan 0.000 0.468 1308 R N 0.679 121.353 120.500 0.289 0.000 2.808 1308 R HA 0.904 5.104 4.340 -0.233 0.000 0.272 1308 R C -1.501 174.806 176.300 0.011 0.000 0.995 1308 R CA -1.076 55.136 56.100 0.186 0.000 0.917 1308 R CB 0.845 31.136 30.300 -0.016 0.000 1.217 1308 R HN 0.631 nan 8.270 nan 0.000 0.471 1309 A N 1.379 123.940 122.820 -0.432 0.000 2.425 1309 A HA 0.424 4.605 4.320 -0.233 0.000 0.249 1309 A C 0.428 177.729 177.584 -0.472 0.000 1.084 1309 A CA -0.551 50.932 52.037 -0.923 0.000 0.781 1309 A CB 0.439 18.774 19.000 -1.109 0.000 1.019 1309 A HN 0.590 nan 8.150 nan 0.000 0.490 1310 V N 2.331 122.000 119.914 -0.408 0.000 2.690 1310 V HA 0.214 4.194 4.120 -0.233 0.000 0.240 1310 V C 0.482 176.518 176.094 -0.097 0.000 1.078 1310 V CA 0.968 63.159 62.300 -0.181 0.000 1.102 1310 V CB -0.284 31.414 31.823 -0.209 0.000 0.800 1310 V HN 0.698 nan 8.190 nan 0.000 0.479 1311 I N 0.648 121.081 120.570 -0.229 0.000 2.607 1311 I HA 0.419 4.450 4.170 -0.233 0.000 0.290 1311 I C -1.463 174.485 176.117 -0.282 0.000 1.129 1311 I CA -0.257 60.923 61.300 -0.200 0.000 1.042 1311 I CB 2.466 40.334 38.000 -0.220 0.000 1.242 1311 I HN 0.027 nan 8.210 nan 0.000 0.421 1312 L N 4.282 125.384 121.223 -0.200 0.000 2.354 1312 L HA 0.577 4.777 4.340 -0.233 0.000 0.269 1312 L C -0.117 176.556 176.870 -0.327 0.000 1.005 1312 L CA -0.665 54.035 54.840 -0.232 0.000 0.819 1312 L CB 2.515 44.538 42.059 -0.061 0.000 1.311 1312 L HN 0.513 nan 8.230 nan 0.000 0.423 1313 T N 0.582 114.889 114.554 -0.413 0.000 2.909 1313 T HA 0.488 4.699 4.350 -0.233 0.000 0.289 1313 T C 0.214 174.450 174.700 -0.773 0.000 1.005 1313 T CA -0.429 61.350 62.100 -0.535 0.000 1.084 1313 T CB 1.397 69.956 68.868 -0.515 0.000 0.975 1313 T HN 0.800 nan 8.240 nan 0.000 0.509 1314 T N -0.345 113.659 114.554 -0.917 0.000 2.773 1314 T HA 0.478 4.688 4.350 -0.233 0.000 0.278 1314 T C 0.845 175.071 174.700 -0.789 0.000 1.011 1314 T CA -0.813 60.648 62.100 -1.066 0.000 1.014 1314 T CB 1.206 69.487 68.868 -0.978 0.000 1.293 1314 T HN 0.313 nan 8.240 nan 0.000 0.554 1315 E N 0.252 120.288 120.200 -0.273 0.000 2.106 1315 E HA -0.007 4.204 4.350 -0.233 0.000 0.192 1315 E C 1.143 177.731 176.600 -0.020 0.000 0.984 1315 E CA 1.238 57.667 56.400 0.048 0.000 0.806 1315 E CB 0.011 29.825 29.700 0.191 0.000 0.750 1315 E HN 0.575 nan 8.360 nan 0.000 0.458 1316 D N -1.458 118.880 120.400 -0.103 0.000 2.407 1316 D HA 0.233 4.734 4.640 -0.233 0.000 0.208 1316 D C 0.762 176.985 176.300 -0.128 0.000 1.083 1316 D CA 0.724 54.674 54.000 -0.083 0.000 0.844 1316 D CB 1.356 42.114 40.800 -0.070 0.000 0.967 1316 D HN 0.204 nan 8.370 nan 0.000 0.506 1317 G N 0.055 108.735 108.800 -0.201 0.000 2.593 1317 G HA2 0.362 4.182 3.960 -0.233 0.000 0.103 1317 G HA3 0.362 4.182 3.960 -0.233 0.000 0.103 1317 G C -1.396 173.329 174.900 -0.292 0.000 1.103 1317 G CA 0.144 45.119 45.100 -0.209 0.000 1.109 1317 G HN 0.178 nan 8.290 nan 0.000 0.516 1318 V N -2.575 117.170 119.914 -0.282 0.000 3.130 1318 V HA 0.911 4.891 4.120 -0.233 0.000 0.310 1318 V C -1.370 174.532 176.094 -0.319 0.000 1.158 1318 V CA -1.223 60.888 62.300 -0.315 0.000 1.029 1318 V CB 2.113 33.790 31.823 -0.243 0.000 1.057 1318 V HN 0.652 nan 8.190 nan 0.000 0.436 1319 K N 2.374 122.575 120.400 -0.333 0.000 2.292 1319 K HA 0.530 4.710 4.320 -0.233 0.000 0.257 1319 K C -1.191 175.146 176.600 -0.438 0.000 0.940 1319 K CA -0.529 55.522 56.287 -0.392 0.000 0.811 1319 K CB 1.844 34.135 32.500 -0.349 0.000 1.120 1319 K HN 0.792 nan 8.250 nan 0.000 0.428 1320 N N 2.184 120.575 118.700 -0.515 0.000 2.399 1320 N HA 0.329 4.929 4.740 -0.233 0.000 0.295 1320 N C -1.154 173.972 175.510 -0.641 0.000 1.048 1320 N CA -0.317 52.481 53.050 -0.421 0.000 0.886 1320 N CB 1.179 39.509 38.487 -0.263 0.000 1.185 1320 N HN 0.347 nan 8.380 nan 0.000 0.487 1321 Y N -0.271 119.952 120.300 -0.128 0.000 2.326 1321 Y HA 0.170 4.580 4.550 -0.233 0.000 0.331 1321 Y C 1.546 177.403 175.900 -0.072 0.000 0.962 1321 Y CA -0.774 57.270 58.100 -0.093 0.000 1.167 1321 Y CB 1.584 39.981 38.460 -0.106 0.000 1.148 1321 Y HN 0.497 nan 8.280 nan 0.000 0.463 1322 T N -1.767 112.825 114.554 0.063 0.000 3.081 1322 T HA 0.116 4.326 4.350 -0.233 0.000 0.255 1322 T C 0.334 175.084 174.700 0.085 0.000 1.113 1322 T CA 0.922 63.051 62.100 0.048 0.000 1.082 1322 T CB -0.353 68.531 68.868 0.027 0.000 0.939 1322 T HN 0.728 nan 8.240 nan 0.000 0.506 1323 N N -0.348 118.413 118.700 0.102 0.000 3.575 1323 N HA 0.245 4.845 4.740 -0.233 0.000 0.343 1323 N C -0.753 174.811 175.510 0.091 0.000 1.574 1323 N CA -0.502 52.611 53.050 0.105 0.000 0.832 1323 N CB -0.007 38.532 38.487 0.086 0.000 2.151 1323 N HN -0.218 nan 8.380 nan 0.000 0.552 1324 D N -0.561 119.883 120.400 0.073 0.000 2.289 1324 D HA 0.069 4.569 4.640 -0.233 0.000 0.207 1324 D C -0.170 176.154 176.300 0.040 0.000 0.966 1324 D CA 0.974 54.999 54.000 0.042 0.000 0.868 1324 D CB -0.493 40.332 40.800 0.042 0.000 0.943 1324 D HN 0.567 nan 8.370 nan 0.000 0.514 1325 T N 2.089 116.682 114.554 0.064 0.000 2.829 1325 T HA -0.014 4.196 4.350 -0.233 0.000 0.293 1325 T C 0.309 175.066 174.700 0.095 0.000 0.970 1325 T CA 0.047 62.188 62.100 0.068 0.000 1.168 1325 T CB 0.569 69.476 68.868 0.064 0.000 0.911 1325 T HN 0.102 nan 8.240 nan 0.000 0.535 1326 D N -0.312 120.129 120.400 0.069 0.000 3.028 1326 D HA -0.202 4.298 4.640 -0.233 0.000 0.211 1326 D C 0.571 176.880 176.300 0.014 0.000 1.136 1326 D CA 1.336 55.384 54.000 0.080 0.000 0.987 1326 D CB -1.435 39.446 40.800 0.134 0.000 1.128 1326 D HN 0.863 nan 8.370 nan 0.000 0.406 1327 A N 0.979 123.729 122.820 -0.117 0.000 2.524 1327 A HA 0.399 4.579 4.320 -0.233 0.000 0.250 1327 A C -1.914 175.448 177.584 -0.370 0.000 1.078 1327 A CA -0.594 51.084 52.037 -0.599 0.000 0.761 1327 A CB 0.191 18.902 19.000 -0.481 0.000 1.012 1327 A HN -0.102 nan 8.150 nan 0.000 0.500 1328 P HA 0.181 nan 4.420 nan 0.000 0.266 1328 P C -0.196 177.153 177.300 0.082 0.000 1.193 1328 P CA 0.188 63.240 63.100 -0.080 0.000 0.770 1328 P CB 0.531 32.223 31.700 -0.014 0.000 0.836 1329 V N -0.586 119.432 119.914 0.173 0.000 2.919 1329 V HA 0.965 4.945 4.120 -0.233 0.000 0.316 1329 V C -0.586 175.571 176.094 0.106 0.000 1.077 1329 V CA -1.156 61.238 62.300 0.156 0.000 0.977 1329 V CB 1.689 33.485 31.823 -0.045 0.000 1.039 1329 V HN 0.656 nan 8.190 nan 0.000 0.441 1330 A N 2.120 124.873 122.820 -0.112 0.000 2.572 1330 A HA 0.889 5.069 4.320 -0.233 0.000 0.295 1330 A C -1.850 175.507 177.584 -0.379 0.000 1.072 1330 A CA -0.653 51.215 52.037 -0.281 0.000 0.691 1330 A CB 1.699 20.317 19.000 -0.638 0.000 1.291 1330 A HN 0.961 nan 8.150 nan 0.000 0.404 1331 Y N 0.621 120.859 120.300 -0.103 0.000 2.376 1331 Y HA 0.511 4.922 4.550 -0.232 0.000 0.340 1331 Y C 1.226 177.084 175.900 -0.071 0.000 0.965 1331 Y CA -0.096 57.994 58.100 -0.016 0.000 1.078 1331 Y CB 2.211 40.666 38.460 -0.009 0.000 1.193 1331 Y HN 0.824 nan 8.280 nan 0.000 0.452 1332 T N -1.271 113.361 114.554 0.132 0.000 2.813 1332 T HA 0.250 4.461 4.350 -0.233 0.000 0.297 1332 T C -0.071 174.689 174.700 0.100 0.000 1.036 1332 T CA -0.866 61.262 62.100 0.047 0.000 1.044 1332 T CB 0.851 69.767 68.868 0.080 0.000 0.993 1332 T HN 0.623 nan 8.240 nan 0.000 0.535 1333 D N 0.147 120.596 120.400 0.081 0.000 2.511 1333 D HA 0.416 4.916 4.640 -0.233 0.000 0.276 1333 D C 1.470 177.819 176.300 0.081 0.000 1.220 1333 D CA -0.469 53.579 54.000 0.080 0.000 1.077 1333 D CB 0.183 41.038 40.800 0.092 0.000 1.126 1333 D HN 0.605 nan 8.370 nan 0.000 0.583 1334 A N -0.608 122.249 122.820 0.062 0.000 2.125 1334 A HA -0.178 4.002 4.320 -0.233 0.000 0.219 1334 A C 1.782 179.404 177.584 0.063 0.000 1.156 1334 A CA 1.533 53.603 52.037 0.056 0.000 0.671 1334 A CB -1.031 17.990 19.000 0.035 0.000 0.794 1334 A HN 0.589 nan 8.150 nan 0.000 0.459 1335 N N -0.956 117.790 118.700 0.076 0.000 2.412 1335 N HA 0.156 4.757 4.740 -0.233 0.000 0.184 1335 N C 1.012 176.584 175.510 0.102 0.000 1.101 1335 N CA 1.196 54.297 53.050 0.084 0.000 0.881 1335 N CB 0.059 38.605 38.487 0.098 0.000 0.969 1335 N HN 0.539 nan 8.380 nan 0.000 0.459 1336 G N 0.052 108.916 108.800 0.106 0.000 2.136 1336 G HA2 -0.216 3.604 3.960 -0.233 0.000 0.242 1336 G HA3 -0.216 3.604 3.960 -0.233 0.000 0.242 1336 G C -0.848 174.086 174.900 0.056 0.000 0.989 1336 G CA 0.104 45.281 45.100 0.128 0.000 0.682 1336 G HN 0.381 nan 8.290 nan 0.000 0.522 1337 D N -0.017 120.390 120.400 0.011 0.000 2.264 1337 D HA 0.519 5.020 4.640 -0.233 0.000 0.250 1337 D C 0.189 176.312 176.300 -0.294 0.000 1.113 1337 D CA -0.294 53.607 54.000 -0.165 0.000 0.871 1337 D CB 1.638 42.331 40.800 -0.178 0.000 1.167 1337 D HN 0.074 nan 8.370 nan 0.000 0.447 1338 L N 3.607 124.550 121.223 -0.468 0.000 2.275 1338 L HA 0.216 4.417 4.340 -0.233 0.000 0.288 1338 L C -0.298 176.129 176.870 -0.739 0.000 1.046 1338 L CA -0.316 54.179 54.840 -0.575 0.000 0.805 1338 L CB 0.651 42.365 42.059 -0.574 0.000 1.193 1338 L HN 0.319 nan 8.230 nan 0.000 0.426 1339 H N 5.291 123.946 119.070 -0.691 0.000 2.481 1339 H HA 0.436 4.853 4.556 -0.232 0.000 0.333 1339 H C -1.146 173.666 175.328 -0.859 0.000 1.066 1339 H CA -0.238 55.485 56.048 -0.542 0.000 1.209 1339 H CB 1.207 30.781 29.762 -0.313 0.000 1.445 1339 H HN 0.376 nan 8.280 nan 0.000 0.488 1340 F N 0.683 120.598 119.950 -0.058 0.000 2.546 1340 F HA 0.413 4.801 4.527 -0.232 0.000 0.320 1340 F C 0.772 176.557 175.800 -0.025 0.000 1.076 1340 F CA -0.709 57.263 58.000 -0.046 0.000 0.928 1340 F CB 2.252 41.221 39.000 -0.052 0.000 1.189 1340 F HN 0.433 nan 8.300 nan 0.000 0.465 1341 T N -2.722 111.922 114.554 0.151 0.000 2.669 1341 T HA 0.248 4.459 4.350 -0.233 0.000 0.283 1341 T C 0.282 175.007 174.700 0.042 0.000 1.019 1341 T CA -0.778 61.361 62.100 0.064 0.000 1.039 1341 T CB 1.101 69.985 68.868 0.027 0.000 1.374 1341 T HN 0.519 nan 8.240 nan 0.000 0.523 1342 N N -0.418 118.286 118.700 0.006 0.000 2.571 1342 N HA 0.105 4.705 4.740 -0.233 0.000 0.189 1342 N C -0.088 175.427 175.510 0.009 0.000 1.154 1342 N CA 0.024 53.067 53.050 -0.012 0.000 0.907 1342 N CB -0.406 38.064 38.487 -0.028 0.000 0.977 1342 N HN 0.584 nan 8.380 nan 0.000 0.449 1343 T N 0.837 115.407 114.554 0.026 0.000 2.823 1343 T HA 0.272 4.483 4.350 -0.233 0.000 0.279 1343 T C -0.239 174.500 174.700 0.064 0.000 0.998 1343 T CA -0.831 61.287 62.100 0.031 0.000 0.994 1343 T CB 0.931 69.807 68.868 0.014 0.000 0.960 1343 T HN 0.061 nan 8.240 nan 0.000 0.448 1344 N N 1.985 120.724 118.700 0.065 0.000 2.345 1344 N HA 0.079 4.679 4.740 -0.233 0.000 0.243 1344 N C -0.453 175.104 175.510 0.078 0.000 1.246 1344 N CA 0.064 53.168 53.050 0.090 0.000 0.863 1344 N CB 0.211 38.734 38.487 0.060 0.000 1.096 1344 N HN 0.481 nan 8.380 nan 0.000 0.446 1345 L N 1.550 122.837 121.223 0.107 0.000 2.265 1345 L HA 0.119 4.320 4.340 -0.233 0.000 0.288 1345 L C 0.718 177.635 176.870 0.079 0.000 1.058 1345 L CA -0.320 54.565 54.840 0.074 0.000 0.809 1345 L CB 0.352 42.454 42.059 0.072 0.000 1.179 1345 L HN 0.539 nan 8.230 nan 0.000 0.429 1346 D N 3.546 123.978 120.400 0.053 0.000 2.708 1346 D HA -0.196 4.304 4.640 -0.233 0.000 0.236 1346 D C 1.151 177.482 176.300 0.053 0.000 1.146 1346 D CA 1.268 55.300 54.000 0.052 0.000 0.662 1346 D CB -0.678 40.168 40.800 0.077 0.000 1.059 1346 D HN 1.039 nan 8.370 nan 0.000 0.428 1347 G N 0.056 108.881 108.800 0.042 0.000 2.203 1347 G HA2 -0.367 3.453 3.960 -0.233 0.000 0.263 1347 G HA3 -0.367 3.453 3.960 -0.233 0.000 0.263 1347 G C 0.134 175.058 174.900 0.040 0.000 1.012 1347 G CA 0.723 45.844 45.100 0.034 0.000 0.749 1347 G HN 0.587 nan 8.290 nan 0.000 0.512 1348 Q N 0.011 119.851 119.800 0.066 0.000 2.303 1348 Q HA 0.395 4.595 4.340 -0.233 0.000 0.257 1348 Q C 0.503 176.542 176.000 0.065 0.000 0.941 1348 Q CA -0.430 55.421 55.803 0.079 0.000 0.931 1348 Q CB 1.188 30.001 28.738 0.125 0.000 1.215 1348 Q HN 0.468 nan 8.270 nan 0.000 0.437 1349 Q N 1.304 121.101 119.800 -0.004 0.000 2.395 1349 Q HA -0.062 4.139 4.340 -0.233 0.000 0.271 1349 Q C -0.686 175.287 176.000 -0.045 0.000 1.026 1349 Q CA 0.537 56.232 55.803 -0.181 0.000 0.900 1349 Q CB 0.364 28.859 28.738 -0.404 0.000 1.266 1349 Q HN 0.682 nan 8.270 nan 0.000 0.430 1350 Y N -1.116 119.288 120.300 0.173 0.000 4.490 1350 Y HA -0.274 4.137 4.550 -0.232 0.000 0.233 1350 Y C 1.196 177.256 175.900 0.268 0.000 1.101 1350 Y CA 1.120 59.346 58.100 0.211 0.000 2.010 1350 Y CB -2.691 35.847 38.460 0.130 0.000 1.622 1350 Y HN 0.739 nan 8.280 nan 0.000 0.675 1351 T N -3.584 111.193 114.554 0.373 0.000 3.054 1351 T HA 0.689 4.899 4.350 -0.233 0.000 0.255 1351 T C 0.884 175.828 174.700 0.408 0.000 1.035 1351 T CA 0.256 62.631 62.100 0.459 0.000 0.941 1351 T CB 0.201 69.333 68.868 0.440 0.000 1.026 1351 T HN 0.619 nan 8.240 nan 0.000 0.533 1352 A N 1.349 124.342 122.820 0.288 0.000 2.340 1352 A HA 0.649 4.829 4.320 -0.233 0.000 0.268 1352 A C 0.043 177.671 177.584 0.073 0.000 1.100 1352 A CA -0.527 51.617 52.037 0.179 0.000 0.803 1352 A CB 0.557 19.625 19.000 0.113 0.000 1.043 1352 A HN 0.318 nan 8.150 nan 0.000 0.488 1353 V N 3.518 123.362 119.914 -0.117 0.000 2.406 1353 V HA 0.617 4.597 4.120 -0.233 0.000 0.272 1353 V C 0.411 176.259 176.094 -0.411 0.000 1.043 1353 V CA 0.011 61.985 62.300 -0.543 0.000 0.915 1353 V CB 0.109 31.669 31.823 -0.438 0.000 0.988 1353 V HN 1.120 nan 8.190 nan 0.000 0.466 1354 R N 3.194 123.380 120.500 -0.524 0.000 2.741 1354 R HA 0.619 4.819 4.340 -0.233 0.000 0.276 1354 R C -0.193 175.932 176.300 -0.291 0.000 1.028 1354 R CA -0.793 55.107 56.100 -0.332 0.000 0.865 1354 R CB 1.151 31.281 30.300 -0.282 0.000 1.268 1354 R HN 0.691 nan 8.270 nan 0.000 0.475 1355 G N 0.628 109.283 108.800 -0.242 0.000 2.442 1355 G HA2 0.449 4.269 3.960 -0.233 0.000 0.249 1355 G HA3 0.449 4.269 3.960 -0.233 0.000 0.249 1355 G C -1.322 173.387 174.900 -0.318 0.000 1.263 1355 G CA -0.111 44.909 45.100 -0.134 0.000 0.846 1355 G HN 0.361 nan 8.290 nan 0.000 0.555 1356 Y N -0.211 120.159 120.300 0.118 0.000 2.605 1356 Y HA 0.656 5.066 4.550 -0.233 0.000 0.343 1356 Y C 0.275 176.214 175.900 0.065 0.000 1.036 1356 Y CA -0.781 57.373 58.100 0.091 0.000 1.065 1356 Y CB 2.710 41.228 38.460 0.096 0.000 1.288 1356 Y HN 0.771 nan 8.280 nan 0.000 0.481 1357 A N 2.471 125.431 122.820 0.233 0.000 2.530 1357 A HA 0.666 4.847 4.320 -0.233 0.000 0.279 1357 A C -1.335 176.323 177.584 0.123 0.000 1.109 1357 A CA -0.574 51.553 52.037 0.149 0.000 0.763 1357 A CB 0.213 19.273 19.000 0.101 0.000 1.257 1357 A HN 0.858 nan 8.150 nan 0.000 0.424 1358 N N 1.430 120.188 118.700 0.098 0.000 3.204 1358 N HA 0.666 5.266 4.740 -0.233 0.000 0.285 1358 N C -2.880 172.646 175.510 0.026 0.000 1.536 1358 N CA -1.659 51.417 53.050 0.044 0.000 0.832 1358 N CB 0.804 39.293 38.487 0.004 0.000 1.645 1358 N HN -0.030 nan 8.380 nan 0.000 0.586 1359 P HA 0.012 nan 4.420 nan 0.000 0.225 1359 P C -0.222 177.080 177.300 0.003 0.000 1.148 1359 P CA 1.088 64.164 63.100 -0.040 0.000 0.779 1359 P CB 0.180 31.822 31.700 -0.096 0.000 0.780 1360 D N -1.382 119.025 120.400 0.012 0.000 2.414 1360 D HA 0.055 4.555 4.640 -0.233 0.000 0.237 1360 D C 0.429 176.769 176.300 0.066 0.000 0.975 1360 D CA 0.842 54.891 54.000 0.081 0.000 0.917 1360 D CB 0.349 41.152 40.800 0.006 0.000 1.061 1360 D HN -0.037 nan 8.370 nan 0.000 0.480 1361 V N 1.689 121.621 119.914 0.029 0.000 2.448 1361 V HA 0.311 4.291 4.120 -0.233 0.000 0.295 1361 V C -0.276 175.881 176.094 0.106 0.000 1.025 1361 V CA -0.544 61.782 62.300 0.043 0.000 0.859 1361 V CB 1.770 33.583 31.823 -0.018 0.000 0.988 1361 V HN 0.113 nan 8.190 nan 0.000 0.431 1362 T N 1.292 115.922 114.554 0.125 0.000 3.053 1362 T HA 0.797 5.008 4.350 -0.233 0.000 0.363 1362 T C 0.415 175.177 174.700 0.102 0.000 1.239 1362 T CA 0.143 62.320 62.100 0.128 0.000 1.071 1362 T CB 1.043 69.995 68.868 0.141 0.000 1.089 1362 T HN 1.447 nan 8.240 nan 0.000 0.527 1363 G N 1.693 110.576 108.800 0.137 0.000 2.178 1363 G HA2 0.162 3.982 3.960 -0.233 0.000 0.147 1363 G HA3 0.162 3.982 3.960 -0.233 0.000 0.147 1363 G C -1.889 173.175 174.900 0.274 0.000 1.245 1363 G CA -0.660 44.530 45.100 0.150 0.000 1.275 1363 G HN 0.813 nan 8.290 nan 0.000 0.491 1364 Y N -0.329 120.022 120.300 0.085 0.000 2.479 1364 Y HA 0.742 5.152 4.550 -0.232 0.000 0.338 1364 Y C -1.545 174.381 175.900 0.044 0.000 1.055 1364 Y CA -0.974 57.191 58.100 0.109 0.000 1.023 1364 Y CB 2.030 40.551 38.460 0.102 0.000 1.287 1364 Y HN 0.927 nan 8.280 nan 0.000 0.447 1365 L N 5.272 126.069 121.223 -0.710 0.000 2.409 1365 L HA 0.989 5.189 4.340 -0.233 0.000 0.272 1365 L C -1.581 174.828 176.870 -0.768 0.000 0.980 1365 L CA -0.432 54.080 54.840 -0.547 0.000 0.826 1365 L CB 1.617 43.490 42.059 -0.309 0.000 1.268 1365 L HN 0.747 nan 8.230 nan 0.000 0.407 1366 A N 4.267 126.819 122.820 -0.446 0.000 2.520 1366 A HA 0.872 5.052 4.320 -0.233 0.000 0.298 1366 A C -1.852 175.596 177.584 -0.228 0.000 1.051 1366 A CA -0.536 51.304 52.037 -0.328 0.000 0.690 1366 A CB 1.936 20.892 19.000 -0.073 0.000 1.281 1366 A HN 0.506 nan 8.150 nan 0.000 0.402 1367 V N 0.905 120.566 119.914 -0.422 0.000 2.686 1367 V HA 0.639 4.619 4.120 -0.233 0.000 0.306 1367 V C -1.429 174.357 176.094 -0.513 0.000 1.065 1367 V CA -0.349 61.775 62.300 -0.294 0.000 0.894 1367 V CB 1.612 33.305 31.823 -0.216 0.000 1.004 1367 V HN 0.913 nan 8.190 nan 0.000 0.424 1368 W N 3.554 124.807 121.300 -0.077 0.000 2.883 1368 W HA 0.788 5.308 4.660 -0.233 0.000 0.335 1368 W C -0.486 176.027 176.519 -0.009 0.000 1.083 1368 W CA -0.850 56.487 57.345 -0.015 0.000 1.233 1368 W CB 2.166 31.655 29.460 0.048 0.000 1.412 1368 W HN 0.554 nan 8.180 nan 0.000 0.490 1369 V N 0.363 120.345 119.914 0.114 0.000 3.001 1369 V HA 0.744 4.724 4.120 -0.233 0.000 0.314 1369 V C -2.730 173.242 176.094 -0.203 0.000 1.099 1369 V CA -3.621 58.580 62.300 -0.165 0.000 0.989 1369 V CB 1.681 32.944 31.823 -0.934 0.000 1.040 1369 V HN 0.263 nan 8.190 nan 0.000 0.434 1370 P HA 0.275 nan 4.420 nan 0.000 0.265 1370 P C -0.156 177.014 177.300 -0.216 0.000 1.193 1370 P CA 0.568 63.257 63.100 -0.686 0.000 0.765 1370 P CB 0.336 31.796 31.700 -0.399 0.000 0.823 1371 A N 3.069 125.778 122.820 -0.184 0.000 2.332 1371 A HA 0.531 4.712 4.320 -0.233 0.000 0.258 1371 A C 1.359 178.947 177.584 0.005 0.000 1.087 1371 A CA 0.303 52.313 52.037 -0.045 0.000 0.802 1371 A CB -0.853 18.116 19.000 -0.052 0.000 1.042 1371 A HN 0.834 nan 8.150 nan 0.000 0.489 1372 G N -0.888 107.939 108.800 0.044 0.000 2.147 1372 G HA2 0.185 4.005 3.960 -0.233 0.000 0.244 1372 G HA3 0.185 4.005 3.960 -0.233 0.000 0.244 1372 G C 0.512 175.439 174.900 0.045 0.000 1.005 1372 G CA 0.423 45.547 45.100 0.040 0.000 0.713 1372 G HN 2.110 nan 8.290 nan 0.000 0.515 1373 A N -0.115 122.751 122.820 0.076 0.000 2.462 1373 A HA 0.796 4.977 4.320 -0.233 0.000 0.243 1373 A C 1.133 178.711 177.584 -0.010 0.000 1.076 1373 A CA 0.963 53.012 52.037 0.020 0.000 0.773 1373 A CB 0.409 19.383 19.000 -0.045 0.000 1.010 1373 A HN 2.142 nan 8.150 nan 0.000 0.493 1374 A N 1.569 124.370 122.820 -0.032 0.000 2.425 1374 A HA 0.339 4.520 4.320 -0.233 0.000 0.242 1374 A C 0.778 178.334 177.584 -0.047 0.000 1.077 1374 A CA -0.033 51.988 52.037 -0.027 0.000 0.781 1374 A CB 0.082 19.068 19.000 -0.023 0.000 1.020 1374 A HN 0.827 nan 8.150 nan 0.000 0.494 1375 D N 0.371 120.756 120.400 -0.026 0.000 2.219 1375 D HA -0.122 4.379 4.640 -0.233 0.000 0.205 1375 D C 0.728 177.004 176.300 -0.040 0.000 0.970 1375 D CA 1.654 55.639 54.000 -0.025 0.000 0.851 1375 D CB 0.002 40.800 40.800 -0.004 0.000 0.943 1375 D HN 0.754 nan 8.370 nan 0.000 0.488 1376 D N 0.043 120.419 120.400 -0.040 0.000 2.342 1376 D HA -0.078 4.422 4.640 -0.233 0.000 0.221 1376 D C 0.617 176.881 176.300 -0.061 0.000 1.101 1376 D CA -0.200 53.775 54.000 -0.041 0.000 0.837 1376 D CB -0.705 40.080 40.800 -0.025 0.000 0.938 1376 D HN 0.134 nan 8.370 nan 0.000 0.508 1377 Q N 0.778 120.520 119.800 -0.098 0.000 2.286 1377 Q HA 0.051 4.251 4.340 -0.233 0.000 0.290 1377 Q C -0.974 174.951 176.000 -0.126 0.000 1.049 1377 Q CA 0.292 56.021 55.803 -0.122 0.000 0.923 1377 Q CB 0.471 29.095 28.738 -0.189 0.000 1.183 1377 Q HN 0.044 nan 8.270 nan 0.000 0.383 1378 D N 3.044 123.397 120.400 -0.078 0.000 2.575 1378 D HA 0.317 4.817 4.640 -0.233 0.000 0.250 1378 D C -0.827 175.456 176.300 -0.028 0.000 1.279 1378 D CA -0.311 53.659 54.000 -0.050 0.000 0.925 1378 D CB 1.502 42.287 40.800 -0.025 0.000 1.261 1378 D HN 0.589 nan 8.370 nan 0.000 0.567 1379 A N 4.358 127.167 122.820 -0.018 0.000 2.308 1379 A HA 0.179 4.360 4.320 -0.233 0.000 0.217 1379 A C 1.065 178.668 177.584 0.032 0.000 1.216 1379 A CA -0.085 51.960 52.037 0.013 0.000 0.864 1379 A CB 0.078 19.098 19.000 0.033 0.000 0.902 1379 A HN 0.454 nan 8.150 nan 0.000 0.499 1380 R N -0.317 120.199 120.500 0.026 0.000 2.707 1380 R HA 0.408 4.609 4.340 -0.233 0.000 0.270 1380 R C -0.648 175.672 176.300 0.033 0.000 1.083 1380 R CA 0.344 56.464 56.100 0.034 0.000 1.182 1380 R CB 0.329 30.648 30.300 0.032 0.000 1.084 1380 R HN 0.128 nan 8.270 nan 0.000 0.528 1381 T N 0.911 115.487 114.554 0.037 0.000 2.812 1381 T HA 0.407 4.618 4.350 -0.233 0.000 0.282 1381 T C -0.541 174.180 174.700 0.035 0.000 0.990 1381 T CA -0.623 61.499 62.100 0.037 0.000 0.960 1381 T CB 1.700 70.594 68.868 0.043 0.000 0.948 1381 T HN 0.667 nan 8.240 nan 0.000 0.438 1382 A N 5.293 128.131 122.820 0.029 0.000 2.388 1382 A HA 0.647 4.828 4.320 -0.233 0.000 0.257 1382 A C -1.995 175.609 177.584 0.032 0.000 1.095 1382 A CA -1.312 50.741 52.037 0.026 0.000 0.791 1382 A CB -0.248 18.763 19.000 0.018 0.000 1.029 1382 A HN 0.576 nan 8.150 nan 0.000 0.489 1383 P HA 0.099 nan 4.420 nan 0.000 0.271 1383 P C -0.045 177.274 177.300 0.032 0.000 1.216 1383 P CA 0.030 63.156 63.100 0.043 0.000 0.776 1383 P CB 0.931 32.659 31.700 0.047 0.000 0.881 1384 S N 1.117 116.841 115.700 0.040 0.000 2.565 1384 S HA 0.103 4.434 4.470 -0.233 0.000 0.276 1384 S C 0.620 175.225 174.600 0.009 0.000 1.326 1384 S CA -0.350 57.867 58.200 0.029 0.000 1.045 1384 S CB -0.112 63.113 63.200 0.041 0.000 0.918 1384 S HN 0.516 nan 8.310 nan 0.000 0.505 1385 D N 1.891 122.289 120.400 -0.004 0.000 2.358 1385 D HA 0.156 4.657 4.640 -0.233 0.000 0.224 1385 D C 0.343 176.625 176.300 -0.030 0.000 1.123 1385 D CA -0.344 53.641 54.000 -0.026 0.000 0.833 1385 D CB 0.072 40.860 40.800 -0.020 0.000 0.946 1385 D HN 0.607 nan 8.370 nan 0.000 0.505 1386 E N 0.679 120.873 120.200 -0.011 0.000 2.398 1386 E HA 0.290 4.501 4.350 -0.233 0.000 0.263 1386 E C -0.192 176.399 176.600 -0.015 0.000 1.046 1386 E CA -0.664 55.738 56.400 0.002 0.000 0.908 1386 E CB 0.735 30.454 29.700 0.031 0.000 0.963 1386 E HN 0.340 nan 8.360 nan 0.000 0.431 1387 A N 4.285 127.102 122.820 -0.005 0.000 2.520 1387 A HA 0.042 4.223 4.320 -0.233 0.000 0.245 1387 A C -0.572 177.056 177.584 0.073 0.000 1.072 1387 A CA 0.119 52.152 52.037 -0.008 0.000 0.761 1387 A CB -0.055 18.948 19.000 0.005 0.000 1.004 1387 A HN 0.758 nan 8.150 nan 0.000 0.499 1388 H N 1.648 120.717 119.070 -0.002 0.000 2.964 1388 H HA 0.067 4.483 4.556 -0.234 0.000 0.328 1388 H C 1.496 176.821 175.328 -0.004 0.000 1.030 1388 H CA 0.422 56.468 56.048 -0.004 0.000 1.445 1388 H CB 0.837 30.592 29.762 -0.012 0.000 1.449 1388 H HN 0.875 nan 8.280 nan 0.000 0.581 1389 T N -0.356 114.262 114.554 0.107 0.000 3.014 1389 T HA -0.075 4.136 4.350 -0.233 0.000 0.263 1389 T C 1.075 175.789 174.700 0.023 0.000 1.078 1389 T CA 0.425 62.553 62.100 0.047 0.000 1.135 1389 T CB 0.295 69.178 68.868 0.024 0.000 0.895 1389 T HN 0.448 nan 8.240 nan 0.000 0.480 1390 T N 1.220 115.771 114.554 -0.006 0.000 2.855 1390 T HA 0.395 4.605 4.350 -0.233 0.000 0.281 1390 T C -0.604 174.074 174.700 -0.036 0.000 1.007 1390 T CA -0.962 61.114 62.100 -0.039 0.000 1.009 1390 T CB 1.402 70.222 68.868 -0.080 0.000 0.983 1390 T HN 0.299 nan 8.240 nan 0.000 0.455 1391 K N 3.522 123.908 120.400 -0.022 0.000 2.021 1391 K HA 0.268 4.448 4.320 -0.233 0.000 0.238 1391 K C -0.247 176.328 176.600 -0.041 0.000 1.149 1391 K CA 0.130 56.408 56.287 -0.014 0.000 1.105 1391 K CB -0.483 32.009 32.500 -0.013 0.000 1.246 1391 K HN 0.574 nan 8.250 nan 0.000 0.307 1392 T N 1.151 115.675 114.554 -0.051 0.000 2.843 1392 T HA 0.603 4.813 4.350 -0.233 0.000 0.302 1392 T C 0.111 174.796 174.700 -0.026 0.000 1.232 1392 T CA -0.163 61.891 62.100 -0.076 0.000 1.009 1392 T CB 1.522 70.313 68.868 -0.129 0.000 1.254 1392 T HN 0.391 nan 8.240 nan 0.000 0.504 1393 A N 1.720 124.482 122.820 -0.095 0.000 1.908 1393 A HA 0.448 4.628 4.320 -0.233 0.000 0.217 1393 A C -0.205 177.290 177.584 -0.150 0.000 1.378 1393 A CA 0.504 52.429 52.037 -0.186 0.000 0.613 1393 A CB -0.881 17.818 19.000 -0.502 0.000 1.053 1393 A HN 0.768 nan 8.150 nan 0.000 0.484 1394 Y N 0.687 121.032 120.300 0.074 0.000 2.336 1394 Y HA 0.505 4.920 4.550 -0.224 0.000 0.331 1394 Y C 0.718 176.622 175.900 0.006 0.000 1.211 1394 Y CA -0.004 58.132 58.100 0.060 0.000 1.346 1394 Y CB 0.487 38.971 38.460 0.041 0.000 1.271 1394 Y HN 0.263 nan 8.280 nan 0.000 0.538 1395 R N 0.536 121.144 120.500 0.180 0.000 2.686 1395 R HA 0.394 4.595 4.340 -0.233 0.000 0.286 1395 R C -0.798 175.554 176.300 0.086 0.000 0.969 1395 R CA -1.001 55.141 56.100 0.070 0.000 0.898 1395 R CB 2.055 32.358 30.300 0.006 0.000 1.183 1395 R HN 0.563 nan 8.270 nan 0.000 0.456 1396 S N 2.624 118.354 115.700 0.050 0.000 2.498 1396 S HA 0.131 4.461 4.470 -0.233 0.000 0.314 1396 S C -0.654 173.970 174.600 0.039 0.000 1.141 1396 S CA -0.377 57.847 58.200 0.040 0.000 1.087 1396 S CB -0.629 62.583 63.200 0.021 0.000 1.178 1396 S HN 0.681 nan 8.310 nan 0.000 0.533 1397 N N 2.453 121.183 118.700 0.049 0.000 3.243 1397 N HA 0.509 5.109 4.740 -0.233 0.000 0.280 1397 N C 0.609 176.150 175.510 0.051 0.000 1.545 1397 N CA -0.322 52.757 53.050 0.049 0.000 0.854 1397 N CB 0.174 38.693 38.487 0.053 0.000 1.612 1397 N HN 0.184 nan 8.380 nan 0.000 0.577 1398 A N -0.385 122.466 122.820 0.052 0.000 1.978 1398 A HA 0.068 4.248 4.320 -0.233 0.000 0.220 1398 A C 2.031 179.646 177.584 0.052 0.000 1.170 1398 A CA 2.444 54.513 52.037 0.053 0.000 0.636 1398 A CB -1.499 17.534 19.000 0.055 0.000 0.810 1398 A HN 0.883 nan 8.150 nan 0.000 0.448 1399 A N -0.804 122.049 122.820 0.056 0.000 1.898 1399 A HA 0.037 4.217 4.320 -0.233 0.000 0.216 1399 A C 2.120 179.739 177.584 0.059 0.000 1.181 1399 A CA 1.589 53.661 52.037 0.057 0.000 0.620 1399 A CB -0.530 18.507 19.000 0.063 0.000 0.819 1399 A HN 0.515 nan 8.150 nan 0.000 0.442 1400 L N 0.078 121.341 121.223 0.066 0.000 2.027 1400 L HA -0.132 4.069 4.340 -0.233 0.000 0.206 1400 L C 1.505 178.399 176.870 0.039 0.000 1.074 1400 L CA 2.134 57.008 54.840 0.057 0.000 0.745 1400 L CB -0.548 41.549 42.059 0.063 0.000 0.898 1400 L HN 0.309 nan 8.230 nan 0.000 0.433 1401 D N -0.912 119.512 120.400 0.041 0.000 2.315 1401 D HA -0.157 4.344 4.640 -0.233 0.000 0.211 1401 D C 2.042 178.367 176.300 0.043 0.000 0.977 1401 D CA 1.273 55.296 54.000 0.038 0.000 0.894 1401 D CB -0.090 40.734 40.800 0.040 0.000 0.910 1401 D HN 0.315 nan 8.370 nan 0.000 0.490 1402 S N -0.057 115.670 115.700 0.045 0.000 2.603 1402 S HA 0.027 4.358 4.470 -0.233 0.000 0.220 1402 S C 0.689 175.318 174.600 0.048 0.000 0.967 1402 S CA -0.248 57.980 58.200 0.047 0.000 0.920 1402 S CB 0.135 63.361 63.200 0.044 0.000 0.773 1402 S HN 0.268 nan 8.310 nan 0.000 0.529 1403 N N 1.613 120.339 118.700 0.043 0.000 2.498 1403 N HA 0.410 5.010 4.740 -0.233 0.000 0.287 1403 N C -1.017 174.524 175.510 0.052 0.000 1.097 1403 N CA -0.042 53.034 53.050 0.042 0.000 0.973 1403 N CB 1.887 40.388 38.487 0.022 0.000 1.153 1403 N HN -0.061 nan 8.380 nan 0.000 0.472 1404 V N 2.717 122.671 119.914 0.067 0.000 2.709 1404 V HA 0.487 4.467 4.120 -0.233 0.000 0.308 1404 V C 0.072 176.218 176.094 0.086 0.000 1.062 1404 V CA -0.766 61.585 62.300 0.084 0.000 0.901 1404 V CB 1.917 33.804 31.823 0.106 0.000 1.003 1404 V HN 0.495 nan 8.190 nan 0.000 0.425 1405 I N 3.919 124.536 120.570 0.078 0.000 2.437 1405 I HA 0.402 4.432 4.170 -0.233 0.000 0.298 1405 I C -1.114 175.080 176.117 0.128 0.000 0.984 1405 I CA -0.678 60.654 61.300 0.052 0.000 1.214 1405 I CB 1.340 39.318 38.000 -0.036 0.000 1.365 1405 I HN 0.612 nan 8.210 nan 0.000 0.469 1406 Y N 5.437 125.664 120.300 -0.122 0.000 2.345 1406 Y HA 0.273 4.687 4.550 -0.226 0.000 0.331 1406 Y C -0.055 175.657 175.900 -0.313 0.000 0.959 1406 Y CA -1.560 56.419 58.100 -0.202 0.000 1.204 1406 Y CB 1.090 39.341 38.460 -0.349 0.000 1.135 1406 Y HN 0.563 nan 8.280 nan 0.000 0.477 1407 E N 4.034 124.073 120.200 -0.269 0.000 1.944 1407 E HA 0.254 4.464 4.350 -0.233 0.000 0.272 1407 E C 0.399 176.605 176.600 -0.656 0.000 1.195 1407 E CA -0.045 56.165 56.400 -0.317 0.000 0.926 1407 E CB 0.039 29.723 29.700 -0.026 0.000 1.051 1407 E HN 1.003 nan 8.360 nan 0.000 0.404 1408 G N 5.341 113.651 108.800 -0.817 0.000 3.562 1408 G HA2 0.230 4.051 3.960 -0.233 0.000 0.279 1408 G HA3 0.230 4.051 3.960 -0.233 0.000 0.279 1408 G C -0.438 174.375 174.900 -0.146 0.000 1.314 1408 G CA -0.181 44.396 45.100 -0.872 0.000 1.189 1408 G HN 0.507 nan 8.290 nan 0.000 0.562 1409 F N -2.064 117.666 119.950 -0.366 0.000 2.711 1409 F HA 0.814 5.188 4.527 -0.255 0.000 0.313 1409 F C -0.791 174.978 175.800 -0.052 0.000 1.141 1409 F CA -1.527 56.227 58.000 -0.410 0.000 0.941 1409 F CB 1.412 40.209 39.000 -0.339 0.000 1.349 1409 F HN -0.073 nan 8.300 nan 0.000 0.464 1410 S N 0.553 116.272 115.700 0.031 0.000 2.568 1410 S HA 0.379 4.710 4.470 -0.233 0.000 0.293 1410 S C 0.044 174.853 174.600 0.347 0.000 1.089 1410 S CA -0.738 57.639 58.200 0.295 0.000 0.945 1410 S CB 1.434 64.933 63.200 0.499 0.000 1.077 1410 S HN 0.728 nan 8.310 nan 0.000 0.485 1411 N N 1.452 120.301 118.700 0.248 0.000 2.272 1411 N HA -0.008 4.592 4.740 -0.233 0.000 0.185 1411 N C 0.465 175.796 175.510 -0.298 0.000 1.014 1411 N CA 1.321 54.312 53.050 -0.098 0.000 0.870 1411 N CB -0.366 37.805 38.487 -0.527 0.000 0.975 1411 N HN 0.634 nan 8.380 nan 0.000 0.433 1412 F N 0.286 120.382 119.950 0.244 0.000 2.664 1412 F HA 0.360 4.745 4.527 -0.236 0.000 0.303 1412 F C 0.627 176.542 175.800 0.191 0.000 1.092 1412 F CA -0.626 57.506 58.000 0.220 0.000 1.305 1412 F CB -0.241 38.842 39.000 0.138 0.000 1.054 1412 F HN -0.178 nan 8.300 nan 0.000 0.565 1413 I N 1.395 122.115 120.570 0.251 0.000 2.826 1413 I HA -0.202 3.829 4.170 -0.233 0.000 0.295 1413 I C -0.021 176.222 176.117 0.210 0.000 1.213 1413 I CA 0.179 61.567 61.300 0.147 0.000 1.436 1413 I CB 0.002 38.105 38.000 0.172 0.000 1.348 1413 I HN -0.015 nan 8.210 nan 0.000 0.570 1414 Y N 4.837 125.223 120.300 0.144 0.000 2.300 1414 Y HA 0.149 4.559 4.550 -0.233 0.000 0.328 1414 Y C -0.033 175.904 175.900 0.061 0.000 1.270 1414 Y CA -1.730 56.455 58.100 0.142 0.000 1.352 1414 Y CB 0.093 38.661 38.460 0.181 0.000 1.286 1414 Y HN 0.433 nan 8.280 nan 0.000 0.536 1415 W N 3.275 124.692 121.300 0.194 0.000 2.295 1415 W HA 0.179 4.702 4.660 -0.228 0.000 0.335 1415 W C -1.919 174.660 176.519 0.099 0.000 1.351 1415 W CA -0.880 56.514 57.345 0.081 0.000 1.273 1415 W CB -0.460 29.020 29.460 0.033 0.000 1.214 1415 W HN 0.264 nan 8.180 nan 0.000 0.563 1416 P HA -0.047 nan 4.420 nan 0.000 0.265 1416 P C 0.932 178.349 177.300 0.195 0.000 1.193 1416 P CA 0.584 63.791 63.100 0.179 0.000 0.765 1416 P CB 0.723 32.491 31.700 0.113 0.000 0.823 1417 T N -1.225 113.420 114.554 0.152 0.000 3.067 1417 T HA 0.092 4.302 4.350 -0.233 0.000 0.257 1417 T C 0.587 175.340 174.700 0.088 0.000 1.105 1417 T CA 0.641 62.813 62.100 0.119 0.000 1.104 1417 T CB -0.459 68.474 68.868 0.107 0.000 0.925 1417 T HN 0.525 nan 8.240 nan 0.000 0.498 1418 T N -2.163 112.440 114.554 0.082 0.000 2.883 1418 T HA 0.482 4.693 4.350 -0.233 0.000 0.301 1418 T C 0.484 175.217 174.700 0.056 0.000 1.158 1418 T CA -0.800 61.336 62.100 0.060 0.000 1.007 1418 T CB 2.232 71.128 68.868 0.046 0.000 1.186 1418 T HN -0.003 nan 8.240 nan 0.000 0.499 1419 E N 0.666 120.892 120.200 0.043 0.000 2.130 1419 E HA -0.187 4.023 4.350 -0.233 0.000 0.196 1419 E C 2.019 178.632 176.600 0.022 0.000 0.998 1419 E CA 1.726 58.145 56.400 0.032 0.000 0.806 1419 E CB -0.124 29.590 29.700 0.024 0.000 0.738 1419 E HN 0.764 nan 8.360 nan 0.000 0.459 1420 S N -0.095 115.618 115.700 0.022 0.000 2.507 1420 S HA -0.106 4.224 4.470 -0.233 0.000 0.235 1420 S C 1.411 176.027 174.600 0.027 0.000 0.988 1420 S CA 0.760 58.970 58.200 0.017 0.000 0.944 1420 S CB -0.046 63.162 63.200 0.013 0.000 0.762 1420 S HN 0.258 nan 8.310 nan 0.000 0.526 1421 E N 0.685 120.909 120.200 0.039 0.000 2.489 1421 E HA 0.120 4.330 4.350 -0.233 0.000 0.193 1421 E C 0.165 176.795 176.600 0.049 0.000 1.057 1421 E CA -0.214 56.219 56.400 0.055 0.000 0.866 1421 E CB 0.176 29.919 29.700 0.072 0.000 0.916 1421 E HN 0.528 nan 8.360 nan 0.000 0.500 1422 R N 0.956 121.466 120.500 0.017 0.000 2.449 1422 R HA 0.040 4.241 4.340 -0.233 0.000 0.296 1422 R C 1.114 177.373 176.300 -0.068 0.000 1.047 1422 R CA 0.034 56.117 56.100 -0.028 0.000 1.018 1422 R CB 0.534 30.813 30.300 -0.036 0.000 0.962 1422 R HN -0.009 nan 8.270 nan 0.000 0.428 1423 T N 2.177 116.645 114.554 -0.143 0.000 2.653 1423 T HA -0.183 4.027 4.350 -0.233 0.000 0.268 1423 T C 1.357 175.796 174.700 -0.436 0.000 1.035 1423 T CA 1.612 63.442 62.100 -0.450 0.000 1.154 1423 T CB -0.110 68.425 68.868 -0.554 0.000 0.862 1423 T HN 0.540 nan 8.240 nan 0.000 0.441 1424 N N 0.441 118.972 118.700 -0.282 0.000 2.354 1424 N HA 0.020 4.620 4.740 -0.233 0.000 0.179 1424 N C 1.873 177.279 175.510 -0.175 0.000 1.021 1424 N CA 0.385 53.278 53.050 -0.262 0.000 0.887 1424 N CB -0.447 37.905 38.487 -0.225 0.000 0.974 1424 N HN 0.229 nan 8.380 nan 0.000 0.437 1425 V N 1.299 121.144 119.914 -0.114 0.000 2.270 1425 V HA -0.152 3.828 4.120 -0.233 0.000 0.245 1425 V C 2.296 178.363 176.094 -0.045 0.000 1.043 1425 V CA 1.471 63.729 62.300 -0.070 0.000 1.014 1425 V CB -0.311 31.488 31.823 -0.040 0.000 0.645 1425 V HN 0.236 nan 8.190 nan 0.000 0.447 1426 R N -0.572 119.923 120.500 -0.007 0.000 2.115 1426 R HA -0.037 4.163 4.340 -0.233 0.000 0.230 1426 R C 2.228 178.601 176.300 0.121 0.000 1.111 1426 R CA 1.318 57.462 56.100 0.074 0.000 0.976 1426 R CB -0.349 30.065 30.300 0.190 0.000 0.870 1426 R HN 0.463 nan 8.270 nan 0.000 0.445 1427 I N 0.416 121.029 120.570 0.072 0.000 2.226 1427 I HA -0.256 3.775 4.170 -0.233 0.000 0.245 1427 I C 2.515 178.647 176.117 0.025 0.000 1.100 1427 I CA 1.191 62.562 61.300 0.118 0.000 1.374 1427 I CB -0.346 37.517 38.000 -0.228 0.000 1.057 1427 I HN 0.178 nan 8.210 nan 0.000 0.413 1428 A N -0.056 122.718 122.820 -0.076 0.000 1.978 1428 A HA -0.257 3.924 4.320 -0.233 0.000 0.220 1428 A C 2.172 179.713 177.584 -0.072 0.000 1.170 1428 A CA 1.536 53.517 52.037 -0.093 0.000 0.636 1428 A CB -0.536 18.400 19.000 -0.106 0.000 0.810 1428 A HN 0.505 nan 8.150 nan 0.000 0.448 1429 Q N -0.823 118.942 119.800 -0.058 0.000 2.435 1429 Q HA 0.051 4.251 4.340 -0.233 0.000 0.207 1429 Q C 0.468 176.388 176.000 -0.133 0.000 0.956 1429 Q CA 0.580 56.338 55.803 -0.075 0.000 0.917 1429 Q CB 0.151 28.858 28.738 -0.051 0.000 0.997 1429 Q HN 0.597 nan 8.270 nan 0.000 0.497 1430 N N -1.019 117.565 118.700 -0.193 0.000 2.238 1430 N HA 0.188 4.789 4.740 -0.233 0.000 0.235 1430 N C 0.439 175.547 175.510 -0.671 0.000 1.209 1430 N CA 0.211 52.976 53.050 -0.475 0.000 0.879 1430 N CB 1.017 39.109 38.487 -0.658 0.000 1.136 1430 N HN 0.090 nan 8.380 nan 0.000 0.517 1431 A N 0.891 123.564 122.820 -0.246 0.000 1.933 1431 A HA -0.149 4.032 4.320 -0.233 0.000 0.218 1431 A C 1.741 179.247 177.584 -0.130 0.000 1.175 1431 A CA 1.351 53.361 52.037 -0.046 0.000 0.628 1431 A CB -0.067 18.937 19.000 0.007 0.000 0.814 1431 A HN 0.064 nan 8.150 nan 0.000 0.444 1432 D N -0.432 119.853 120.400 -0.192 0.000 2.144 1432 D HA -0.117 4.383 4.640 -0.233 0.000 0.200 1432 D C 1.869 177.989 176.300 -0.301 0.000 0.978 1432 D CA 1.238 55.129 54.000 -0.181 0.000 0.833 1432 D CB -0.404 40.312 40.800 -0.140 0.000 0.961 1432 D HN 0.373 nan 8.370 nan 0.000 0.470 1433 L N 0.428 121.366 121.223 -0.475 0.000 1.989 1433 L HA -0.202 3.999 4.340 -0.233 0.000 0.211 1433 L C 2.043 178.285 176.870 -1.045 0.000 1.071 1433 L CA 1.662 56.088 54.840 -0.690 0.000 0.749 1433 L CB -0.795 40.832 42.059 -0.719 0.000 0.890 1433 L HN -0.134 nan 8.230 nan 0.000 0.431 1434 F N 0.256 119.786 119.950 -0.700 0.000 2.134 1434 F HA -0.168 4.225 4.527 -0.222 0.000 0.299 1434 F C 2.597 178.189 175.800 -0.347 0.000 1.097 1434 F CA 1.614 59.208 58.000 -0.677 0.000 1.264 1434 F CB -1.204 37.723 39.000 -0.122 0.000 1.001 1434 F HN 0.135 nan 8.300 nan 0.000 0.479 1435 K N 0.735 121.108 120.400 -0.046 0.000 2.063 1435 K HA -0.202 3.979 4.320 -0.233 0.000 0.208 1435 K C 2.375 178.961 176.600 -0.024 0.000 1.048 1435 K CA 1.669 57.956 56.287 0.001 0.000 0.928 1435 K CB -0.342 32.152 32.500 -0.010 0.000 0.713 1435 K HN 0.338 nan 8.250 nan 0.000 0.442 1436 S N -0.277 115.351 115.700 -0.119 0.000 2.440 1436 S HA -0.152 4.178 4.470 -0.233 0.000 0.240 1436 S C 1.307 175.982 174.600 0.126 0.000 1.014 1436 S CA 0.889 59.064 58.200 -0.042 0.000 0.980 1436 S CB -0.459 62.690 63.200 -0.087 0.000 0.775 1436 S HN 0.433 nan 8.310 nan 0.000 0.499 1437 W N 1.491 122.797 121.300 0.011 0.000 3.290 1437 W HA 0.510 5.027 4.660 -0.238 0.000 0.287 1437 W C 1.751 178.267 176.519 -0.005 0.000 1.288 1437 W CA -0.465 56.866 57.345 -0.024 0.000 1.725 1437 W CB -1.330 28.092 29.460 -0.062 0.000 1.103 1437 W HN 0.544 nan 8.180 nan 0.000 0.670 1438 G N 0.982 109.908 108.800 0.210 0.000 2.136 1438 G HA2 -0.277 3.543 3.960 -0.233 0.000 0.242 1438 G HA3 -0.277 3.543 3.960 -0.233 0.000 0.242 1438 G C 0.051 175.042 174.900 0.151 0.000 0.989 1438 G CA -0.392 44.795 45.100 0.145 0.000 0.682 1438 G HN 0.013 nan 8.290 nan 0.000 0.522 1439 I N 2.240 122.924 120.570 0.191 0.000 2.517 1439 I HA 0.199 4.229 4.170 -0.233 0.000 0.285 1439 I C 1.864 178.069 176.117 0.146 0.000 1.106 1439 I CA 1.177 62.586 61.300 0.182 0.000 1.402 1439 I CB 0.361 38.498 38.000 0.229 0.000 1.399 1439 I HN 0.329 nan 8.210 nan 0.000 0.535 1440 T N 0.654 115.278 114.554 0.116 0.000 3.023 1440 T HA 0.057 4.267 4.350 -0.233 0.000 0.249 1440 T C 0.857 175.615 174.700 0.096 0.000 1.050 1440 T CA 0.067 62.222 62.100 0.091 0.000 1.088 1440 T CB 0.294 69.198 68.868 0.062 0.000 0.946 1440 T HN 0.529 nan 8.240 nan 0.000 0.480 1441 T N 0.740 115.355 114.554 0.101 0.000 2.881 1441 T HA 0.570 4.781 4.350 -0.233 0.000 0.290 1441 T C -2.089 172.698 174.700 0.145 0.000 1.000 1441 T CA -0.869 61.298 62.100 0.113 0.000 0.978 1441 T CB 1.098 70.001 68.868 0.059 0.000 0.997 1441 T HN 0.273 nan 8.240 nan 0.000 0.443 1442 F N 4.285 124.253 119.950 0.031 0.000 2.391 1442 F HA 0.442 4.835 4.527 -0.224 0.000 0.359 1442 F C 0.517 176.296 175.800 -0.035 0.000 1.122 1442 F CA -0.726 57.275 58.000 0.002 0.000 1.120 1442 F CB 0.744 39.712 39.000 -0.054 0.000 1.142 1442 F HN 0.558 nan 8.300 nan 0.000 0.483 1443 E N 7.347 127.498 120.200 -0.082 0.000 1.996 1443 E HA 0.215 4.426 4.350 -0.233 0.000 0.280 1443 E C -1.043 175.586 176.600 0.049 0.000 1.092 1443 E CA -0.651 55.742 56.400 -0.012 0.000 0.862 1443 E CB 0.548 30.203 29.700 -0.076 0.000 1.066 1443 E HN 0.629 nan 8.360 nan 0.000 0.396 1444 L N 3.246 124.552 121.223 0.137 0.000 2.439 1444 L HA 0.213 4.413 4.340 -0.233 0.000 0.269 1444 L C 0.752 177.401 176.870 -0.369 0.000 1.179 1444 L CA 0.165 54.980 54.840 -0.041 0.000 0.828 1444 L CB 0.817 42.822 42.059 -0.090 0.000 1.106 1444 L HN 0.590 nan 8.230 nan 0.000 0.467 1445 A N 4.576 126.874 122.820 -0.870 0.000 2.492 1445 A HA 0.301 4.482 4.320 -0.233 0.000 0.236 1445 A C -2.155 174.849 177.584 -0.966 0.000 1.078 1445 A CA -0.793 50.289 52.037 -1.591 0.000 0.773 1445 A CB -0.844 16.864 19.000 -2.153 0.000 1.023 1445 A HN 0.549 nan 8.150 nan 0.000 0.504 1446 P HA 0.057 nan 4.420 nan 0.000 0.268 1446 P C -0.415 176.460 177.300 -0.709 0.000 1.204 1446 P CA 0.233 62.914 63.100 -0.698 0.000 0.768 1446 P CB 0.660 32.029 31.700 -0.551 0.000 0.842 1447 Q N 1.158 120.356 119.800 -1.004 0.000 2.319 1447 Q HA 0.076 4.276 4.340 -0.233 0.000 0.202 1447 Q C -0.041 175.572 176.000 -0.645 0.000 0.896 1447 Q CA 0.054 55.449 55.803 -0.681 0.000 0.942 1447 Q CB -0.267 28.140 28.738 -0.552 0.000 1.083 1447 Q HN 0.541 nan 8.270 nan 0.000 0.510 1448 Y N 1.364 121.563 120.300 -0.167 0.000 2.442 1448 Y HA 0.071 4.476 4.550 -0.242 0.000 0.330 1448 Y C 0.746 176.633 175.900 -0.022 0.000 1.129 1448 Y CA -1.141 56.856 58.100 -0.172 0.000 1.365 1448 Y CB -0.078 38.010 38.460 -0.619 0.000 1.233 1448 Y HN -0.084 nan 8.280 nan 0.000 0.529 1449 N N 1.287 120.063 118.700 0.127 0.000 2.357 1449 N HA -0.057 4.543 4.740 -0.233 0.000 0.257 1449 N C 0.042 175.680 175.510 0.212 0.000 1.250 1449 N CA -0.006 53.132 53.050 0.146 0.000 0.862 1449 N CB 0.528 39.107 38.487 0.154 0.000 1.066 1449 N HN 0.653 nan 8.380 nan 0.000 0.468 1450 S N 0.720 116.520 115.700 0.166 0.000 2.579 1450 S HA 0.069 4.399 4.470 -0.233 0.000 0.275 1450 S C 1.331 176.009 174.600 0.129 0.000 1.345 1450 S CA -0.269 58.017 58.200 0.144 0.000 1.031 1450 S CB 0.349 63.618 63.200 0.114 0.000 0.892 1450 S HN 0.590 nan 8.310 nan 0.000 0.529 1451 S N 2.725 118.465 115.700 0.067 0.000 2.489 1451 S HA 0.067 4.398 4.470 -0.233 0.000 0.228 1451 S C 0.711 175.341 174.600 0.049 0.000 0.995 1451 S CA 0.555 58.797 58.200 0.069 0.000 0.934 1451 S CB -0.682 62.551 63.200 0.056 0.000 0.771 1451 S HN 0.897 nan 8.310 nan 0.000 0.522 1452 K N 0.765 121.184 120.400 0.031 0.000 3.048 1452 K HA -0.215 3.965 4.320 -0.233 0.000 0.274 1452 K C 0.043 176.650 176.600 0.010 0.000 1.098 1452 K CA 1.083 57.382 56.287 0.021 0.000 0.807 1452 K CB -1.560 30.947 32.500 0.012 0.000 1.217 1452 K HN 0.807 nan 8.250 nan 0.000 0.477 1453 D N -0.853 119.562 120.400 0.025 0.000 2.348 1453 D HA 0.062 4.563 4.640 -0.233 0.000 0.211 1453 D C 1.233 177.555 176.300 0.036 0.000 0.998 1453 D CA 0.779 54.803 54.000 0.041 0.000 0.873 1453 D CB 0.053 40.903 40.800 0.082 0.000 0.925 1453 D HN 0.341 nan 8.370 nan 0.000 0.524 1454 G N -0.000 108.814 108.800 0.024 0.000 2.148 1454 G HA2 -0.336 3.485 3.960 -0.233 0.000 0.254 1454 G HA3 -0.336 3.485 3.960 -0.233 0.000 0.254 1454 G C 1.075 176.007 174.900 0.053 0.000 0.981 1454 G CA 1.049 46.150 45.100 0.002 0.000 0.670 1454 G HN 0.657 nan 8.290 nan 0.000 0.528 1455 T N -3.312 111.322 114.554 0.133 0.000 3.100 1455 T HA 0.559 4.770 4.350 -0.233 0.000 0.253 1455 T C 0.406 175.312 174.700 0.344 0.000 1.118 1455 T CA 0.942 63.158 62.100 0.193 0.000 1.058 1455 T CB 0.299 69.278 68.868 0.184 0.000 0.953 1455 T HN 1.091 nan 8.240 nan 0.000 0.515 1456 F N -0.306 119.727 119.950 0.137 0.000 2.668 1456 F HA 0.493 4.874 4.527 -0.243 0.000 0.309 1456 F C 0.371 176.219 175.800 0.080 0.000 1.117 1456 F CA -2.152 55.936 58.000 0.146 0.000 0.951 1456 F CB 1.135 40.291 39.000 0.259 0.000 1.323 1456 F HN -0.144 nan 8.300 nan 0.000 0.451 1457 L N 2.007 122.638 121.223 -0.986 0.000 2.051 1457 L HA -0.187 4.013 4.340 -0.233 0.000 0.214 1457 L C 1.531 178.245 176.870 -0.261 0.000 1.076 1457 L CA 2.429 56.926 54.840 -0.572 0.000 0.758 1457 L CB -0.764 40.924 42.059 -0.618 0.000 0.890 1457 L HN 0.697 nan 8.230 nan 0.000 0.433 1458 D N -0.654 119.670 120.400 -0.126 0.000 2.182 1458 D HA -0.139 4.362 4.640 -0.233 0.000 0.201 1458 D C 1.996 178.294 176.300 -0.003 0.000 0.986 1458 D CA 1.548 55.603 54.000 0.092 0.000 0.847 1458 D CB -0.238 40.735 40.800 0.290 0.000 0.942 1458 D HN 0.633 nan 8.370 nan 0.000 0.467 1459 S N -1.117 114.558 115.700 -0.042 0.000 2.582 1459 S HA 0.275 4.605 4.470 -0.233 0.000 0.234 1459 S C 1.499 176.080 174.600 -0.031 0.000 0.961 1459 S CA -0.408 57.758 58.200 -0.057 0.000 0.953 1459 S CB -0.045 63.093 63.200 -0.103 0.000 0.800 1459 S HN 0.155 nan 8.310 nan 0.000 0.471 1460 I N 0.385 120.921 120.570 -0.056 0.000 3.194 1460 I HA 0.180 4.210 4.170 -0.233 0.000 0.271 1460 I C 1.368 177.487 176.117 0.002 0.000 1.150 1460 I CA 0.361 61.602 61.300 -0.097 0.000 1.440 1460 I CB 0.153 37.996 38.000 -0.263 0.000 1.276 1460 I HN 0.322 nan 8.210 nan 0.000 0.457 1461 I N -2.341 118.253 120.570 0.040 0.000 3.928 1461 I HA 0.241 4.271 4.170 -0.233 0.000 0.335 1461 I C -0.446 175.717 176.117 0.076 0.000 1.325 1461 I CA -0.614 60.753 61.300 0.112 0.000 1.107 1461 I CB -0.594 37.451 38.000 0.075 0.000 1.014 1461 I HN -0.027 nan 8.210 nan 0.000 0.400 1462 D N 2.735 123.176 120.400 0.067 0.000 2.803 1462 D HA -0.215 4.285 4.640 -0.233 0.000 0.233 1462 D C 0.645 176.886 176.300 -0.098 0.000 1.182 1462 D CA 1.138 55.164 54.000 0.043 0.000 0.726 1462 D CB -1.187 39.742 40.800 0.216 0.000 0.987 1462 D HN 0.725 nan 8.370 nan 0.000 0.412 1463 N N -0.125 118.555 118.700 -0.033 0.000 2.416 1463 N HA 0.047 4.647 4.740 -0.233 0.000 0.177 1463 N C 1.634 177.058 175.510 -0.143 0.000 1.036 1463 N CA 1.459 54.491 53.050 -0.031 0.000 0.901 1463 N CB 0.142 38.710 38.487 0.135 0.000 0.976 1463 N HN 0.567 nan 8.380 nan 0.000 0.444 1464 G N -1.483 107.266 108.800 -0.085 0.000 2.192 1464 G HA2 -0.251 3.569 3.960 -0.233 0.000 0.193 1464 G HA3 -0.251 3.569 3.960 -0.233 0.000 0.193 1464 G C 0.318 175.307 174.900 0.149 0.000 0.999 1464 G CA 0.146 45.222 45.100 -0.040 0.000 0.659 1464 G HN 0.279 nan 8.290 nan 0.000 0.503 1465 Y N 0.877 121.320 120.300 0.239 0.000 2.475 1465 Y HA 0.549 4.958 4.550 -0.235 0.000 0.289 1465 Y C 1.943 177.895 175.900 0.087 0.000 1.121 1465 Y CA 0.923 59.193 58.100 0.283 0.000 1.257 1465 Y CB 0.407 39.005 38.460 0.230 0.000 1.026 1465 Y HN 0.549 nan 8.280 nan 0.000 0.555 1466 A N 0.743 123.553 122.820 -0.017 0.000 2.267 1466 A HA 0.650 4.830 4.320 -0.233 0.000 0.315 1466 A C -1.088 176.299 177.584 -0.327 0.000 1.297 1466 A CA -0.406 51.199 52.037 -0.720 0.000 0.865 1466 A CB -0.554 17.638 19.000 -1.346 0.000 1.165 1466 A HN 0.203 nan 8.150 nan 0.000 0.513 1467 F N -0.812 119.122 119.950 -0.026 0.000 2.645 1467 F HA 0.695 5.077 4.527 -0.242 0.000 0.310 1467 F C 0.487 176.353 175.800 0.111 0.000 1.102 1467 F CA -0.732 57.310 58.000 0.071 0.000 0.952 1467 F CB 0.937 40.023 39.000 0.143 0.000 1.326 1467 F HN 0.138 nan 8.300 nan 0.000 0.456 1468 T N -1.516 113.256 114.554 0.363 0.000 3.033 1468 T HA 0.047 4.257 4.350 -0.233 0.000 0.248 1468 T C -0.409 174.500 174.700 0.349 0.000 1.040 1468 T CA 1.120 63.385 62.100 0.274 0.000 1.133 1468 T CB -0.117 68.880 68.868 0.215 0.000 0.895 1468 T HN 0.610 nan 8.240 nan 0.000 0.465 1469 D N 0.750 121.383 120.400 0.388 0.000 2.414 1469 D HA 0.318 4.819 4.640 -0.233 0.000 0.232 1469 D C 0.731 177.155 176.300 0.206 0.000 1.070 1469 D CA -0.440 53.764 54.000 0.340 0.000 0.839 1469 D CB 1.116 42.132 40.800 0.361 0.000 1.079 1469 D HN -0.069 nan 8.370 nan 0.000 0.521 1470 R N 2.242 122.777 120.500 0.059 0.000 2.148 1470 R HA -0.092 4.108 4.340 -0.233 0.000 0.227 1470 R C 0.730 176.865 176.300 -0.275 0.000 1.103 1470 R CA 1.260 57.038 56.100 -0.536 0.000 0.983 1470 R CB 0.090 29.746 30.300 -1.073 0.000 0.874 1470 R HN 0.529 nan 8.270 nan 0.000 0.451 1471 Y N -1.092 119.272 120.300 0.106 0.000 2.467 1471 Y HA 0.151 4.565 4.550 -0.227 0.000 0.250 1471 Y C 0.154 176.290 175.900 0.394 0.000 1.155 1471 Y CA -0.609 57.661 58.100 0.283 0.000 1.249 1471 Y CB 0.610 39.134 38.460 0.107 0.000 1.146 1471 Y HN -0.140 nan 8.280 nan 0.000 0.524 1472 D N 1.178 121.810 120.400 0.388 0.000 2.494 1472 D HA 0.189 4.690 4.640 -0.233 0.000 0.217 1472 D C -1.113 175.261 176.300 0.123 0.000 1.153 1472 D CA -0.069 54.000 54.000 0.115 0.000 0.954 1472 D CB 0.306 41.221 40.800 0.192 0.000 1.034 1472 D HN 0.033 nan 8.370 nan 0.000 0.518 1473 L N 2.811 124.115 121.223 0.134 0.000 2.407 1473 L HA 0.372 4.572 4.340 -0.233 0.000 0.261 1473 L C 1.525 178.399 176.870 0.008 0.000 1.108 1473 L CA -0.329 54.515 54.840 0.006 0.000 0.995 1473 L CB 0.811 42.771 42.059 -0.165 0.000 1.349 1473 L HN 0.556 nan 8.230 nan 0.000 0.423 1474 G N 1.891 110.686 108.800 -0.008 0.000 2.203 1474 G HA2 -0.376 3.444 3.960 -0.233 0.000 0.263 1474 G HA3 -0.376 3.444 3.960 -0.233 0.000 0.263 1474 G C 0.936 175.852 174.900 0.025 0.000 1.012 1474 G CA 1.040 46.147 45.100 0.010 0.000 0.749 1474 G HN 0.515 nan 8.290 nan 0.000 0.512 1475 M N 0.386 119.969 119.600 -0.028 0.000 2.412 1475 M HA 0.067 4.408 4.480 -0.233 0.000 0.263 1475 M C 2.789 179.102 176.300 0.022 0.000 1.122 1475 M CA 1.667 56.922 55.300 -0.074 0.000 1.179 1475 M CB -0.133 32.277 32.600 -0.316 0.000 1.335 1475 M HN 0.418 nan 8.290 nan 0.000 0.465 1476 S N -1.275 114.466 115.700 0.068 0.000 2.442 1476 S HA -0.022 4.309 4.470 -0.233 0.000 0.236 1476 S C 0.884 175.580 174.600 0.159 0.000 1.007 1476 S CA 0.994 59.345 58.200 0.253 0.000 0.965 1476 S CB -0.341 63.064 63.200 0.343 0.000 0.773 1476 S HN 0.514 nan 8.310 nan 0.000 0.504 1477 T N 0.508 115.132 114.554 0.117 0.000 2.886 1477 T HA 0.361 4.572 4.350 -0.233 0.000 0.341 1477 T C -3.374 171.389 174.700 0.106 0.000 1.839 1477 T CA -1.157 61.005 62.100 0.104 0.000 1.052 1477 T CB 0.934 69.863 68.868 0.101 0.000 1.715 1477 T HN -0.157 nan 8.240 nan 0.000 0.504 1478 P HA 0.249 nan 4.420 nan 0.000 0.271 1478 P C -0.558 176.838 177.300 0.160 0.000 1.218 1478 P CA -0.250 62.922 63.100 0.119 0.000 0.780 1478 P CB 0.319 32.108 31.700 0.147 0.000 0.901 1479 N N 1.637 120.349 118.700 0.020 0.000 2.322 1479 N HA 0.063 4.663 4.740 -0.233 0.000 0.270 1479 N C 0.907 176.128 175.510 -0.482 0.000 1.286 1479 N CA -0.252 52.724 53.050 -0.122 0.000 0.948 1479 N CB 0.170 38.532 38.487 -0.208 0.000 1.164 1479 N HN 0.223 nan 8.380 nan 0.000 0.551 1480 K N -1.595 118.135 120.400 -1.117 0.000 2.360 1480 K HA -0.099 4.082 4.320 -0.233 0.000 0.201 1480 K C 0.307 176.242 176.600 -1.109 0.000 1.046 1480 K CA 1.109 56.291 56.287 -1.841 0.000 0.945 1480 K CB -0.160 31.166 32.500 -1.956 0.000 0.750 1480 K HN 0.596 nan 8.250 nan 0.000 0.464 1481 Y N -1.158 118.854 120.300 -0.480 0.000 2.458 1481 Y HA 0.332 4.744 4.550 -0.231 0.000 0.254 1481 Y C 1.072 176.804 175.900 -0.280 0.000 1.120 1481 Y CA 0.095 57.960 58.100 -0.393 0.000 1.282 1481 Y CB 1.023 39.227 38.460 -0.426 0.000 1.109 1481 Y HN 0.140 nan 8.280 nan 0.000 0.526 1482 G N -0.352 108.370 108.800 -0.129 0.000 2.320 1482 G HA2 0.189 4.009 3.960 -0.233 0.000 0.274 1482 G HA3 0.189 4.009 3.960 -0.233 0.000 0.274 1482 G C -0.838 174.042 174.900 -0.034 0.000 1.324 1482 G CA -0.598 44.464 45.100 -0.065 0.000 0.957 1482 G HN 0.277 nan 8.290 nan 0.000 0.481 1483 S N -0.398 115.296 115.700 -0.011 0.000 2.655 1483 S HA 0.466 4.796 4.470 -0.233 0.000 0.265 1483 S C 1.436 176.042 174.600 0.010 0.000 1.240 1483 S CA 0.803 59.009 58.200 0.011 0.000 0.986 1483 S CB 1.378 64.591 63.200 0.021 0.000 0.985 1483 S HN 1.078 nan 8.310 nan 0.000 0.562 1484 D N 0.048 120.476 120.400 0.047 0.000 2.149 1484 D HA -0.242 4.259 4.640 -0.233 0.000 0.198 1484 D C 1.469 177.808 176.300 0.066 0.000 0.990 1484 D CA 1.584 55.651 54.000 0.111 0.000 0.839 1484 D CB -0.538 40.363 40.800 0.169 0.000 0.948 1484 D HN 0.708 nan 8.370 nan 0.000 0.460 1485 E N 1.489 121.702 120.200 0.020 0.000 2.038 1485 E HA -0.206 4.004 4.350 -0.233 0.000 0.195 1485 E C 1.638 178.218 176.600 -0.035 0.000 1.000 1485 E CA 1.890 58.284 56.400 -0.011 0.000 0.803 1485 E CB -0.153 29.542 29.700 -0.009 0.000 0.750 1485 E HN 0.148 nan 8.360 nan 0.000 0.448 1486 D N 0.076 120.452 120.400 -0.039 0.000 2.123 1486 D HA -0.175 4.326 4.640 -0.233 0.000 0.196 1486 D C 2.015 178.249 176.300 -0.110 0.000 0.992 1486 D CA 1.053 55.011 54.000 -0.071 0.000 0.833 1486 D CB -0.413 40.346 40.800 -0.068 0.000 0.954 1486 D HN 0.225 nan 8.370 nan 0.000 0.455 1487 L N 1.362 122.526 121.223 -0.098 0.000 1.994 1487 L HA -0.149 4.051 4.340 -0.233 0.000 0.208 1487 L C 2.278 179.039 176.870 -0.181 0.000 1.071 1487 L CA 1.701 56.445 54.840 -0.159 0.000 0.745 1487 L CB -0.372 41.605 42.059 -0.137 0.000 0.892 1487 L HN -0.153 nan 8.230 nan 0.000 0.431 1488 R N -0.447 120.008 120.500 -0.075 0.000 2.091 1488 R HA -0.171 4.030 4.340 -0.233 0.000 0.238 1488 R C 2.073 178.280 176.300 -0.155 0.000 1.136 1488 R CA 1.560 57.597 56.100 -0.105 0.000 0.959 1488 R CB -0.637 29.623 30.300 -0.067 0.000 0.856 1488 R HN 0.506 nan 8.270 nan 0.000 0.437 1489 N N 0.672 119.295 118.700 -0.130 0.000 2.120 1489 N HA -0.125 4.475 4.740 -0.233 0.000 0.188 1489 N C 1.689 177.094 175.510 -0.175 0.000 1.024 1489 N CA 1.435 54.407 53.050 -0.130 0.000 0.852 1489 N CB -0.338 38.091 38.487 -0.097 0.000 1.003 1489 N HN 0.224 nan 8.380 nan 0.000 0.424 1490 A N 1.401 124.092 122.820 -0.214 0.000 1.908 1490 A HA -0.088 4.092 4.320 -0.233 0.000 0.218 1490 A C 2.394 179.769 177.584 -0.349 0.000 1.181 1490 A CA 1.029 52.900 52.037 -0.277 0.000 0.627 1490 A CB -0.744 18.059 19.000 -0.328 0.000 0.818 1490 A HN 0.216 nan 8.150 nan 0.000 0.445 1491 L N -1.010 119.969 121.223 -0.406 0.000 2.056 1491 L HA -0.223 3.978 4.340 -0.233 0.000 0.207 1491 L C 2.927 179.450 176.870 -0.579 0.000 1.078 1491 L CA 1.800 56.300 54.840 -0.566 0.000 0.749 1491 L CB -0.609 41.084 42.059 -0.610 0.000 0.901 1491 L HN 0.629 nan 8.230 nan 0.000 0.433 1492 Q N 0.390 119.994 119.800 -0.326 0.000 2.050 1492 Q HA -0.227 3.974 4.340 -0.233 0.000 0.202 1492 Q C 2.277 178.193 176.000 -0.140 0.000 0.980 1492 Q CA 1.884 57.583 55.803 -0.173 0.000 0.840 1492 Q CB -0.084 28.591 28.738 -0.105 0.000 0.898 1492 Q HN 0.480 nan 8.270 nan 0.000 0.424 1493 A N 0.869 123.595 122.820 -0.158 0.000 1.902 1493 A HA -0.144 4.037 4.320 -0.233 0.000 0.217 1493 A C 2.089 179.607 177.584 -0.110 0.000 1.181 1493 A CA 1.216 53.184 52.037 -0.116 0.000 0.623 1493 A CB -0.707 18.224 19.000 -0.115 0.000 0.818 1493 A HN 0.459 nan 8.150 nan 0.000 0.443 1494 L N -1.431 119.682 121.223 -0.185 0.000 2.012 1494 L HA -0.252 3.948 4.340 -0.233 0.000 0.210 1494 L C 2.569 179.420 176.870 -0.032 0.000 1.073 1494 L CA 1.928 56.688 54.840 -0.133 0.000 0.748 1494 L CB -0.859 41.060 42.059 -0.234 0.000 0.891 1494 L HN 0.547 nan 8.230 nan 0.000 0.431 1495 H N -0.702 118.326 119.070 -0.070 0.000 2.387 1495 H HA -0.193 4.223 4.556 -0.234 0.000 0.299 1495 H C 2.309 177.608 175.328 -0.049 0.000 1.099 1495 H CA 1.054 57.065 56.048 -0.061 0.000 1.315 1495 H CB 0.090 29.806 29.762 -0.076 0.000 1.380 1495 H HN 0.198 nan 8.280 nan 0.000 0.513 1496 K N 0.885 121.326 120.400 0.068 0.000 2.074 1496 K HA -0.157 4.024 4.320 -0.233 0.000 0.209 1496 K C 2.193 178.800 176.600 0.011 0.000 1.048 1496 K CA 1.189 57.487 56.287 0.019 0.000 0.926 1496 K CB -0.154 32.339 32.500 -0.011 0.000 0.713 1496 K HN 0.275 nan 8.250 nan 0.000 0.444 1497 A N -0.230 122.597 122.820 0.012 0.000 2.206 1497 A HA 0.109 4.289 4.320 -0.233 0.000 0.211 1497 A C 1.288 178.888 177.584 0.027 0.000 1.158 1497 A CA 1.192 53.235 52.037 0.011 0.000 0.761 1497 A CB -0.291 18.717 19.000 0.013 0.000 0.801 1497 A HN 0.549 nan 8.150 nan 0.000 0.473 1498 G N -2.030 106.795 108.800 0.041 0.000 2.143 1498 G HA2 -0.182 3.638 3.960 -0.233 0.000 0.249 1498 G HA3 -0.182 3.638 3.960 -0.233 0.000 0.249 1498 G C -0.103 174.833 174.900 0.061 0.000 0.981 1498 G CA 0.285 45.408 45.100 0.037 0.000 0.665 1498 G HN 0.362 nan 8.290 nan 0.000 0.528 1499 L N 0.647 121.926 121.223 0.094 0.000 2.375 1499 L HA 0.530 4.730 4.340 -0.233 0.000 0.271 1499 L C 0.988 177.953 176.870 0.159 0.000 1.107 1499 L CA -0.006 54.907 54.840 0.121 0.000 0.806 1499 L CB 1.124 43.272 42.059 0.148 0.000 1.146 1499 L HN 0.361 nan 8.230 nan 0.000 0.447 1500 Q N 1.047 120.926 119.800 0.132 0.000 2.249 1500 Q HA 0.782 4.983 4.340 -0.233 0.000 0.226 1500 Q C -0.851 175.240 176.000 0.153 0.000 0.983 1500 Q CA -0.706 55.184 55.803 0.145 0.000 0.930 1500 Q CB 1.468 30.247 28.738 0.068 0.000 1.193 1500 Q HN 0.741 nan 8.270 nan 0.000 0.508 1501 A N 1.314 124.233 122.820 0.165 0.000 2.422 1501 A HA 0.623 4.804 4.320 -0.233 0.000 0.302 1501 A C -1.185 176.558 177.584 0.264 0.000 1.041 1501 A CA -0.606 51.532 52.037 0.168 0.000 0.708 1501 A CB 0.897 19.893 19.000 -0.007 0.000 1.257 1501 A HN 0.648 nan 8.150 nan 0.000 0.414 1502 I N 1.929 122.629 120.570 0.215 0.000 2.377 1502 I HA 0.526 4.556 4.170 -0.233 0.000 0.293 1502 I C 0.690 176.754 176.117 -0.088 0.000 0.987 1502 I CA -0.467 60.885 61.300 0.086 0.000 1.185 1502 I CB 2.009 40.010 38.000 0.001 0.000 1.341 1502 I HN 0.747 nan 8.210 nan 0.000 0.455 1503 A N 4.791 127.311 122.820 -0.500 0.000 2.320 1503 A HA 0.217 4.397 4.320 -0.233 0.000 0.287 1503 A C -0.313 177.008 177.584 -0.439 0.000 1.181 1503 A CA -0.419 50.997 52.037 -1.035 0.000 0.831 1503 A CB 0.200 18.252 19.000 -1.580 0.000 1.102 1503 A HN 0.670 nan 8.150 nan 0.000 0.513 1504 D N 2.477 122.685 120.400 -0.320 0.000 2.344 1504 D HA 0.130 4.630 4.640 -0.233 0.000 0.253 1504 D C -0.992 175.355 176.300 0.079 0.000 1.255 1504 D CA 0.210 54.175 54.000 -0.059 0.000 0.894 1504 D CB 0.289 41.058 40.800 -0.051 0.000 1.067 1504 D HN 0.502 nan 8.370 nan 0.000 0.492 1505 W N 4.980 126.183 121.300 -0.163 0.000 2.331 1505 W HA 0.337 4.848 4.660 -0.249 0.000 0.306 1505 W C -0.885 175.597 176.519 -0.062 0.000 1.162 1505 W CA -0.958 56.195 57.345 -0.320 0.000 1.232 1505 W CB 0.743 30.004 29.460 -0.333 0.000 1.235 1505 W HN 0.055 nan 8.180 nan 0.000 0.479 1506 V N 10.155 130.041 119.914 -0.047 0.000 2.326 1506 V HA 0.149 4.130 4.120 -0.233 0.000 0.254 1506 V C -1.371 174.839 176.094 0.194 0.000 1.022 1506 V CA -0.850 61.568 62.300 0.195 0.000 1.074 1506 V CB 0.710 32.857 31.823 0.540 0.000 1.305 1506 V HN 0.482 nan 8.190 nan 0.000 0.506 1507 P HA 0.022 nan 4.420 nan 0.000 0.249 1507 P C 0.899 178.103 177.300 -0.160 0.000 1.229 1507 P CA 0.481 63.479 63.100 -0.170 0.000 0.788 1507 P CB 0.705 32.042 31.700 -0.606 0.000 1.072 1508 D N 0.131 120.455 120.400 -0.127 0.000 2.117 1508 D HA -0.111 4.389 4.640 -0.233 0.000 0.197 1508 D C 0.986 177.199 176.300 -0.145 0.000 0.987 1508 D CA 1.312 55.231 54.000 -0.135 0.000 0.829 1508 D CB 0.289 41.024 40.800 -0.107 0.000 0.961 1508 D HN 0.171 nan 8.370 nan 0.000 0.460 1509 Q N -0.744 118.969 119.800 -0.145 0.000 2.738 1509 Q HA 0.381 4.581 4.340 -0.233 0.000 0.301 1509 Q C -1.572 174.246 176.000 -0.303 0.000 0.901 1509 Q CA -0.795 54.883 55.803 -0.208 0.000 0.756 1509 Q CB 0.916 29.512 28.738 -0.236 0.000 1.463 1509 Q HN 0.187 nan 8.270 nan 0.000 0.432 1510 I N 0.511 120.879 120.570 -0.336 0.000 2.775 1510 I HA 0.453 4.484 4.170 -0.233 0.000 0.295 1510 I C -1.441 174.535 176.117 -0.234 0.000 1.287 1510 I CA -0.784 60.319 61.300 -0.330 0.000 1.029 1510 I CB 2.433 40.242 38.000 -0.318 0.000 1.282 1510 I HN 0.600 nan 8.210 nan 0.000 0.426 1511 Y N 2.591 122.717 120.300 -0.290 0.000 2.528 1511 Y HA 0.326 4.734 4.550 -0.238 0.000 0.335 1511 Y C 0.872 176.719 175.900 -0.088 0.000 1.093 1511 Y CA -0.558 57.438 58.100 -0.174 0.000 1.134 1511 Y CB 1.341 39.725 38.460 -0.127 0.000 1.253 1511 Y HN 0.714 nan 8.280 nan 0.000 0.478 1512 N N 0.965 119.719 118.700 0.090 0.000 2.740 1512 N HA -0.205 4.396 4.740 -0.233 0.000 0.248 1512 N C -1.775 173.776 175.510 0.068 0.000 1.062 1512 N CA 0.321 53.419 53.050 0.081 0.000 0.704 1512 N CB -1.177 37.381 38.487 0.118 0.000 0.968 1512 N HN 0.577 nan 8.380 nan 0.000 0.547 1513 L N 0.414 121.661 121.223 0.040 0.000 2.361 1513 L HA 0.254 4.454 4.340 -0.233 0.000 0.278 1513 L C -0.663 176.247 176.870 0.067 0.000 1.113 1513 L CA -1.360 53.528 54.840 0.080 0.000 0.849 1513 L CB 0.567 42.687 42.059 0.100 0.000 1.155 1513 L HN 0.111 nan 8.230 nan 0.000 0.452 1514 P HA -0.028 nan 4.420 nan 0.000 0.225 1514 P C 0.663 177.990 177.300 0.045 0.000 1.156 1514 P CA 0.444 63.575 63.100 0.051 0.000 0.787 1514 P CB 0.263 31.993 31.700 0.050 0.000 0.802 1515 G N 1.047 109.885 108.800 0.063 0.000 2.333 1515 G HA2 0.231 4.051 3.960 -0.233 0.000 0.290 1515 G HA3 0.231 4.051 3.960 -0.233 0.000 0.290 1515 G C -0.361 174.571 174.900 0.053 0.000 1.150 1515 G CA -0.371 44.760 45.100 0.052 0.000 0.895 1515 G HN 0.033 nan 8.290 nan 0.000 0.444 1516 K N 1.196 121.616 120.400 0.034 0.000 2.295 1516 K HA 0.339 4.519 4.320 -0.233 0.000 0.270 1516 K C -0.060 176.564 176.600 0.039 0.000 1.011 1516 K CA 0.069 56.379 56.287 0.037 0.000 0.953 1516 K CB 1.150 33.667 32.500 0.029 0.000 0.956 1516 K HN 0.649 nan 8.250 nan 0.000 0.477 1517 E N 0.733 120.964 120.200 0.052 0.000 2.321 1517 E HA 0.336 4.546 4.350 -0.233 0.000 0.281 1517 E C -1.829 174.810 176.600 0.065 0.000 0.910 1517 E CA -0.685 55.753 56.400 0.063 0.000 0.770 1517 E CB 1.527 31.279 29.700 0.086 0.000 1.225 1517 E HN 0.652 nan 8.360 nan 0.000 0.417 1518 A N 3.325 126.205 122.820 0.099 0.000 2.354 1518 A HA 0.554 4.735 4.320 -0.233 0.000 0.281 1518 A C -0.702 176.872 177.584 -0.017 0.000 1.174 1518 A CA -0.265 51.776 52.037 0.007 0.000 0.828 1518 A CB 0.477 19.458 19.000 -0.031 0.000 1.099 1518 A HN 0.308 nan 8.150 nan 0.000 0.516 1519 V N 2.318 122.156 119.914 -0.127 0.000 2.789 1519 V HA 0.366 4.346 4.120 -0.233 0.000 0.311 1519 V C 0.230 176.210 176.094 -0.191 0.000 1.073 1519 V CA -0.658 61.509 62.300 -0.222 0.000 0.921 1519 V CB 2.207 33.769 31.823 -0.434 0.000 1.009 1519 V HN 0.858 nan 8.190 nan 0.000 0.426 1520 T N 4.474 118.908 114.554 -0.200 0.000 2.752 1520 T HA 0.450 4.660 4.350 -0.233 0.000 0.295 1520 T C -0.060 174.628 174.700 -0.020 0.000 0.923 1520 T CA -0.036 61.994 62.100 -0.118 0.000 1.112 1520 T CB 0.628 69.427 68.868 -0.115 0.000 0.884 1520 T HN 0.805 nan 8.240 nan 0.000 0.525 1521 V N 1.408 121.340 119.914 0.031 0.000 3.074 1521 V HA 0.927 4.907 4.120 -0.233 0.000 0.314 1521 V C -0.397 175.720 176.094 0.038 0.000 1.117 1521 V CA -0.761 61.584 62.300 0.075 0.000 1.014 1521 V CB 2.486 34.331 31.823 0.037 0.000 1.057 1521 V HN 0.690 nan 8.190 nan 0.000 0.438 1522 T N 2.117 116.686 114.554 0.026 0.000 2.937 1522 T HA 0.522 4.732 4.350 -0.233 0.000 0.297 1522 T C -0.447 174.237 174.700 -0.027 0.000 0.991 1522 T CA -0.477 61.634 62.100 0.017 0.000 0.990 1522 T CB 1.329 70.227 68.868 0.050 0.000 0.991 1522 T HN 1.064 nan 8.240 nan 0.000 0.440 1523 R N 2.812 123.290 120.500 -0.036 0.000 2.585 1523 R HA 0.415 4.615 4.340 -0.233 0.000 0.275 1523 R C -0.046 176.273 176.300 0.032 0.000 1.018 1523 R CA 0.357 56.409 56.100 -0.079 0.000 1.072 1523 R CB 0.015 30.258 30.300 -0.095 0.000 0.953 1523 R HN 0.763 nan 8.270 nan 0.000 0.419 1524 S N 1.982 117.676 115.700 -0.010 0.000 2.570 1524 S HA 0.384 4.714 4.470 -0.233 0.000 0.270 1524 S C -1.094 173.634 174.600 0.214 0.000 1.149 1524 S CA -0.791 57.487 58.200 0.130 0.000 0.837 1524 S CB 1.177 64.385 63.200 0.013 0.000 1.124 1524 S HN 0.682 nan 8.310 nan 0.000 0.465 1525 D N 0.392 121.048 120.400 0.427 0.000 2.346 1525 D HA 0.100 4.600 4.640 -0.233 0.000 0.249 1525 D C 0.842 177.359 176.300 0.361 0.000 1.308 1525 D CA 0.136 54.416 54.000 0.465 0.000 0.987 1525 D CB -0.007 41.079 40.800 0.477 0.000 1.114 1525 D HN 0.616 nan 8.370 nan 0.000 0.529 1526 D N -2.176 118.475 120.400 0.417 0.000 2.378 1526 D HA -0.172 4.328 4.640 -0.233 0.000 0.222 1526 D C 0.837 177.244 176.300 0.178 0.000 0.980 1526 D CA 1.028 55.186 54.000 0.264 0.000 0.907 1526 D CB -0.463 40.524 40.800 0.312 0.000 0.899 1526 D HN 0.482 nan 8.370 nan 0.000 0.527 1527 H N -1.182 117.971 119.070 0.138 0.000 2.586 1527 H HA 0.400 4.817 4.556 -0.232 0.000 0.273 1527 H C 1.555 176.978 175.328 0.158 0.000 0.997 1527 H CA 0.444 56.507 56.048 0.025 0.000 1.177 1527 H CB 0.921 30.588 29.762 -0.159 0.000 1.471 1527 H HN 0.244 nan 8.280 nan 0.000 0.538 1528 G N 0.748 109.763 108.800 0.358 0.000 2.136 1528 G HA2 -0.299 3.521 3.960 -0.233 0.000 0.242 1528 G HA3 -0.299 3.521 3.960 -0.233 0.000 0.242 1528 G C 0.261 175.285 174.900 0.206 0.000 0.989 1528 G CA 0.392 45.675 45.100 0.306 0.000 0.682 1528 G HN 0.367 nan 8.290 nan 0.000 0.522 1529 T N 2.148 116.834 114.554 0.220 0.000 2.834 1529 T HA 0.437 4.647 4.350 -0.233 0.000 0.298 1529 T C 0.908 175.704 174.700 0.160 0.000 0.966 1529 T CA 0.599 62.803 62.100 0.174 0.000 1.141 1529 T CB 1.077 70.048 68.868 0.173 0.000 0.905 1529 T HN 0.286 nan 8.240 nan 0.000 0.535 1530 T N 4.474 119.101 114.554 0.122 0.000 2.866 1530 T HA -0.073 4.138 4.350 -0.233 0.000 0.293 1530 T C 0.129 174.919 174.700 0.150 0.000 1.005 1530 T CA 0.020 62.196 62.100 0.127 0.000 1.162 1530 T CB 0.121 69.041 68.868 0.086 0.000 0.968 1530 T HN 0.497 nan 8.240 nan 0.000 0.530 1531 W N 4.856 126.158 121.300 0.003 0.000 2.585 1531 W HA 0.065 4.584 4.660 -0.235 0.000 0.337 1531 W C 0.698 177.217 176.519 0.000 0.000 1.226 1531 W CA -0.784 56.560 57.345 -0.001 0.000 1.463 1531 W CB 0.143 29.592 29.460 -0.019 0.000 1.458 1531 W HN 0.808 nan 8.180 nan 0.000 0.458 1532 E N 2.412 122.563 120.200 -0.083 0.000 2.160 1532 E HA -0.183 4.028 4.350 -0.233 0.000 0.195 1532 E C 2.002 178.619 176.600 0.028 0.000 0.991 1532 E CA 1.611 57.991 56.400 -0.033 0.000 0.810 1532 E CB -0.341 29.304 29.700 -0.091 0.000 0.742 1532 E HN 0.534 nan 8.360 nan 0.000 0.466 1533 V N -1.389 118.555 119.914 0.050 0.000 3.461 1533 V HA 0.117 4.097 4.120 -0.233 0.000 0.267 1533 V C 1.196 177.402 176.094 0.187 0.000 1.186 1533 V CA 0.147 62.514 62.300 0.112 0.000 1.154 1533 V CB -0.066 31.812 31.823 0.091 0.000 0.802 1533 V HN -0.044 nan 8.190 nan 0.000 0.474 1534 S N 2.638 118.503 115.700 0.276 0.000 2.528 1534 S HA 0.344 4.674 4.470 -0.233 0.000 0.277 1534 S C -0.673 173.995 174.600 0.114 0.000 1.297 1534 S CA -0.803 57.510 58.200 0.187 0.000 1.052 1534 S CB 1.160 64.468 63.200 0.181 0.000 0.917 1534 S HN 0.479 nan 8.310 nan 0.000 0.492 1535 P HA 0.094 nan 4.420 nan 0.000 0.237 1535 P C -0.012 177.336 177.300 0.080 0.000 1.178 1535 P CA 0.409 63.553 63.100 0.072 0.000 0.766 1535 P CB -0.149 31.587 31.700 0.060 0.000 0.876 1536 I N 0.959 121.574 120.570 0.075 0.000 2.293 1536 I HA 0.140 4.171 4.170 -0.233 0.000 0.299 1536 I C 0.551 176.706 176.117 0.063 0.000 1.153 1536 I CA 0.324 61.667 61.300 0.072 0.000 1.302 1536 I CB -0.377 37.642 38.000 0.033 0.000 1.460 1536 I HN -0.250 nan 8.210 nan 0.000 0.552 1537 K N 5.238 125.685 120.400 0.077 0.000 2.601 1537 K HA 0.268 4.448 4.320 -0.233 0.000 0.249 1537 K C -0.500 176.145 176.600 0.075 0.000 0.966 1537 K CA -0.857 55.473 56.287 0.071 0.000 0.827 1537 K CB 1.612 34.154 32.500 0.069 0.000 1.178 1537 K HN 0.419 nan 8.250 nan 0.000 0.437 1538 N N 0.617 119.356 118.700 0.065 0.000 2.707 1538 N HA -0.178 4.422 4.740 -0.233 0.000 0.253 1538 N C -0.869 174.692 175.510 0.085 0.000 0.998 1538 N CA 0.646 53.733 53.050 0.061 0.000 0.751 1538 N CB -0.806 37.715 38.487 0.056 0.000 0.920 1538 N HN 0.162 nan 8.380 nan 0.000 0.539 1539 V N 0.845 120.814 119.914 0.093 0.000 2.555 1539 V HA 0.315 4.296 4.120 -0.233 0.000 0.302 1539 V C 0.616 176.751 176.094 0.068 0.000 1.038 1539 V CA -0.846 61.548 62.300 0.156 0.000 0.887 1539 V CB 2.395 34.335 31.823 0.195 0.000 0.991 1539 V HN 0.018 nan 8.190 nan 0.000 0.434 1540 V N 5.678 125.539 119.914 -0.088 0.000 2.572 1540 V HA 0.232 4.212 4.120 -0.233 0.000 0.291 1540 V C -0.583 175.490 176.094 -0.035 0.000 1.039 1540 V CA 0.095 62.201 62.300 -0.324 0.000 1.055 1540 V CB 0.454 31.666 31.823 -1.018 0.000 0.969 1540 V HN 0.773 nan 8.190 nan 0.000 0.482 1541 Y N 4.490 124.705 120.300 -0.142 0.000 2.504 1541 Y HA 0.546 4.957 4.550 -0.232 0.000 0.344 1541 Y C -0.501 175.398 175.900 -0.002 0.000 1.023 1541 Y CA -1.245 56.853 58.100 -0.002 0.000 1.020 1541 Y CB 1.602 40.080 38.460 0.030 0.000 1.282 1541 Y HN 0.429 nan 8.280 nan 0.000 0.454 1542 I N 5.504 125.926 120.570 -0.247 0.000 2.363 1542 I HA 0.157 4.188 4.170 -0.233 0.000 0.292 1542 I C 0.415 176.550 176.117 0.031 0.000 1.075 1542 I CA -0.019 61.241 61.300 -0.067 0.000 1.333 1542 I CB 0.018 38.044 38.000 0.044 0.000 1.415 1542 I HN 0.665 nan 8.210 nan 0.000 0.502 1543 T N 2.738 117.369 114.554 0.129 0.000 2.944 1543 T HA 0.461 4.671 4.350 -0.233 0.000 0.284 1543 T C 0.098 174.853 174.700 0.092 0.000 1.010 1543 T CA -0.936 61.268 62.100 0.173 0.000 1.025 1543 T CB 1.233 70.201 68.868 0.167 0.000 1.079 1543 T HN 0.476 nan 8.240 nan 0.000 0.516 1544 N N 0.832 119.573 118.700 0.069 0.000 3.091 1544 N HA 0.323 4.923 4.740 -0.233 0.000 0.255 1544 N C 0.385 175.907 175.510 0.021 0.000 1.204 1544 N CA -0.548 52.523 53.050 0.036 0.000 0.990 1544 N CB 0.695 39.187 38.487 0.008 0.000 1.260 1544 N HN 0.826 nan 8.380 nan 0.000 0.502 1545 T N -2.643 111.960 114.554 0.081 0.000 3.043 1545 T HA 0.305 4.516 4.350 -0.233 0.000 0.272 1545 T C 0.383 175.270 174.700 0.310 0.000 0.990 1545 T CA -0.027 62.161 62.100 0.147 0.000 0.897 1545 T CB 0.223 69.239 68.868 0.246 0.000 1.111 1545 T HN 0.158 nan 8.240 nan 0.000 0.529 1546 I N 1.968 122.669 120.570 0.218 0.000 2.362 1546 I HA 0.674 4.705 4.170 -0.233 0.000 0.289 1546 I C 0.808 177.050 176.117 0.209 0.000 0.994 1546 I CA -0.410 61.028 61.300 0.230 0.000 1.158 1546 I CB 1.376 39.459 38.000 0.139 0.000 1.315 1546 I HN 0.484 nan 8.210 nan 0.000 0.451 1547 G N 3.620 112.584 108.800 0.273 0.000 2.347 1547 G HA2 0.399 4.220 3.960 -0.233 0.000 0.224 1547 G HA3 0.399 4.220 3.960 -0.233 0.000 0.224 1547 G C 0.039 175.155 174.900 0.359 0.000 1.318 1547 G CA 0.064 45.306 45.100 0.237 0.000 1.016 1547 G HN 0.993 nan 8.290 nan 0.000 0.469 1548 G N -1.520 107.472 108.800 0.320 0.000 2.870 1548 G HA2 0.620 4.441 3.960 -0.233 0.000 0.216 1548 G HA3 0.620 4.441 3.960 -0.233 0.000 0.216 1548 G C 1.617 176.703 174.900 0.310 0.000 0.973 1548 G CA 1.275 46.627 45.100 0.420 0.000 0.807 1548 G HN 2.962 nan 8.290 nan 0.000 0.573 1549 G N -0.155 108.776 108.800 0.219 0.000 2.730 1549 G HA2 0.093 3.913 3.960 -0.233 0.000 0.686 1549 G HA3 0.093 3.913 3.960 -0.233 0.000 0.686 1549 G C 0.376 175.334 174.900 0.097 0.000 1.343 1549 G CA 0.341 45.554 45.100 0.188 0.000 0.826 1549 G HN 0.362 nan 8.290 nan 0.000 0.582 1550 E N -0.192 120.008 120.200 -0.000 0.000 2.268 1550 E HA -0.049 4.162 4.350 -0.233 0.000 0.195 1550 E C 1.987 178.388 176.600 -0.333 0.000 0.995 1550 E CA 1.780 58.049 56.400 -0.219 0.000 0.836 1550 E CB -0.046 29.428 29.700 -0.376 0.000 0.763 1550 E HN 0.677 nan 8.360 nan 0.000 0.491 1551 Y N 0.662 121.026 120.300 0.107 0.000 2.269 1551 Y HA -0.100 4.311 4.550 -0.232 0.000 0.294 1551 Y C 2.650 178.577 175.900 0.044 0.000 1.120 1551 Y CA 0.876 59.072 58.100 0.159 0.000 1.159 1551 Y CB -0.421 38.268 38.460 0.383 0.000 1.024 1551 Y HN 0.002 nan 8.280 nan 0.000 0.532 1552 Q N 1.442 121.386 119.800 0.240 0.000 2.112 1552 Q HA -0.257 3.944 4.340 -0.233 0.000 0.206 1552 Q C 2.096 178.002 176.000 -0.157 0.000 0.987 1552 Q CA 2.180 58.016 55.803 0.055 0.000 0.858 1552 Q CB -0.208 28.703 28.738 0.288 0.000 0.905 1552 Q HN 0.417 nan 8.270 nan 0.000 0.420 1553 K N -0.295 120.035 120.400 -0.117 0.000 2.057 1553 K HA -0.153 4.028 4.320 -0.233 0.000 0.206 1553 K C 2.062 178.504 176.600 -0.263 0.000 1.050 1553 K CA 1.431 57.613 56.287 -0.176 0.000 0.935 1553 K CB -0.132 32.285 32.500 -0.138 0.000 0.715 1553 K HN 0.135 nan 8.250 nan 0.000 0.439 1554 K N -0.877 119.317 120.400 -0.342 0.000 2.057 1554 K HA -0.139 4.042 4.320 -0.233 0.000 0.206 1554 K C 1.117 177.361 176.600 -0.594 0.000 1.050 1554 K CA 1.431 57.412 56.287 -0.510 0.000 0.935 1554 K CB 0.062 32.148 32.500 -0.690 0.000 0.715 1554 K HN 0.188 nan 8.250 nan 0.000 0.439 1555 Y N -0.557 119.517 120.300 -0.378 0.000 2.442 1555 Y HA 0.293 4.704 4.550 -0.231 0.000 0.250 1555 Y C 0.898 176.441 175.900 -0.595 0.000 1.113 1555 Y CA -0.223 57.575 58.100 -0.503 0.000 1.273 1555 Y CB 0.402 38.526 38.460 -0.560 0.000 1.138 1555 Y HN -0.024 nan 8.280 nan 0.000 0.522 1556 G N 0.159 108.689 108.800 -0.450 0.000 2.298 1556 G HA2 0.361 4.182 3.960 -0.233 0.000 0.263 1556 G HA3 0.361 4.182 3.960 -0.233 0.000 0.263 1556 G C 1.133 175.925 174.900 -0.180 0.000 1.229 1556 G CA 0.485 45.407 45.100 -0.296 0.000 0.976 1556 G HN 0.624 nan 8.290 nan 0.000 0.459 1557 G N 2.252 111.019 108.800 -0.055 0.000 2.179 1557 G HA2 -0.263 3.558 3.960 -0.233 0.000 0.260 1557 G HA3 -0.263 3.558 3.960 -0.233 0.000 0.260 1557 G C 0.969 175.806 174.900 -0.105 0.000 0.977 1557 G CA 0.547 45.621 45.100 -0.043 0.000 0.641 1557 G HN 0.609 nan 8.290 nan 0.000 0.533 1558 E N -0.606 119.439 120.200 -0.259 0.000 2.427 1558 E HA 0.130 4.341 4.350 -0.233 0.000 0.196 1558 E C 1.457 177.727 176.600 -0.549 0.000 1.028 1558 E CA 0.610 56.723 56.400 -0.479 0.000 0.864 1558 E CB -0.140 29.164 29.700 -0.660 0.000 0.813 1558 E HN 0.648 nan 8.360 nan 0.000 0.514 1559 F N -0.568 119.409 119.950 0.044 0.000 2.678 1559 F HA 0.204 4.592 4.527 -0.231 0.000 0.305 1559 F C 1.876 177.602 175.800 -0.124 0.000 1.090 1559 F CA -0.148 57.816 58.000 -0.060 0.000 1.272 1559 F CB -0.168 38.801 39.000 -0.051 0.000 1.060 1559 F HN -0.106 nan 8.300 nan 0.000 0.576 1560 L N -0.171 121.094 121.223 0.071 0.000 2.083 1560 L HA -0.213 3.988 4.340 -0.233 0.000 0.209 1560 L C 1.891 178.709 176.870 -0.086 0.000 1.083 1560 L CA 1.304 56.181 54.840 0.062 0.000 0.752 1560 L CB -0.444 41.654 42.059 0.064 0.000 0.899 1560 L HN 0.060 nan 8.230 nan 0.000 0.433 1561 D N -0.413 119.925 120.400 -0.104 0.000 2.087 1561 D HA -0.183 4.317 4.640 -0.233 0.000 0.192 1561 D C 2.136 178.360 176.300 -0.126 0.000 0.993 1561 D CA 1.877 55.798 54.000 -0.131 0.000 0.828 1561 D CB -0.149 40.589 40.800 -0.102 0.000 0.968 1561 D HN 0.134 nan 8.370 nan 0.000 0.448 1562 T N 0.408 114.908 114.554 -0.091 0.000 2.665 1562 T HA -0.167 4.043 4.350 -0.233 0.000 0.268 1562 T C 2.102 176.712 174.700 -0.150 0.000 1.035 1562 T CA 0.813 62.847 62.100 -0.110 0.000 1.151 1562 T CB -0.426 68.382 68.868 -0.100 0.000 0.862 1562 T HN 0.100 nan 8.240 nan 0.000 0.438 1563 L N 0.335 121.497 121.223 -0.101 0.000 2.046 1563 L HA -0.154 4.046 4.340 -0.233 0.000 0.208 1563 L C 2.929 179.902 176.870 0.173 0.000 1.077 1563 L CA 1.442 56.346 54.840 0.108 0.000 0.747 1563 L CB -0.446 41.807 42.059 0.324 0.000 0.896 1563 L HN 0.274 nan 8.230 nan 0.000 0.432 1564 Q N -0.531 119.160 119.800 -0.183 0.000 2.084 1564 Q HA -0.229 3.971 4.340 -0.233 0.000 0.202 1564 Q C 2.320 178.234 176.000 -0.142 0.000 0.978 1564 Q CA 1.464 57.031 55.803 -0.393 0.000 0.844 1564 Q CB 0.051 28.432 28.738 -0.595 0.000 0.898 1564 Q HN 0.192 nan 8.270 nan 0.000 0.426 1565 K N 0.615 120.931 120.400 -0.141 0.000 2.001 1565 K HA -0.163 4.018 4.320 -0.233 0.000 0.208 1565 K C 1.683 178.208 176.600 -0.124 0.000 1.048 1565 K CA 1.514 57.732 56.287 -0.115 0.000 0.932 1565 K CB 0.096 32.529 32.500 -0.112 0.000 0.715 1565 K HN 0.267 nan 8.250 nan 0.000 0.437 1566 E N -1.186 118.878 120.200 -0.227 0.000 2.170 1566 E HA -0.101 4.109 4.350 -0.233 0.000 0.191 1566 E C -0.124 176.247 176.600 -0.382 0.000 0.981 1566 E CA 0.676 56.812 56.400 -0.441 0.000 0.830 1566 E CB 0.253 29.441 29.700 -0.854 0.000 0.775 1566 E HN 0.227 nan 8.360 nan 0.000 0.470 1567 Y N -0.385 119.980 120.300 0.108 0.000 2.477 1567 Y HA 0.215 4.626 4.550 -0.231 0.000 0.340 1567 Y C -2.005 174.026 175.900 0.217 0.000 0.987 1567 Y CA -2.735 55.447 58.100 0.136 0.000 1.127 1567 Y CB 0.626 39.176 38.460 0.150 0.000 1.139 1567 Y HN 0.020 nan 8.280 nan 0.000 0.637 1568 P HA -0.219 nan 4.420 nan 0.000 0.219 1568 P C 0.680 178.166 177.300 0.310 0.000 1.146 1568 P CA 1.559 64.816 63.100 0.261 0.000 0.808 1568 P CB 0.362 32.136 31.700 0.124 0.000 0.779 1569 Q N -0.084 119.852 119.800 0.227 0.000 2.297 1569 Q HA -0.110 4.090 4.340 -0.233 0.000 0.208 1569 Q C 2.164 178.239 176.000 0.126 0.000 0.981 1569 Q CA 1.104 56.997 55.803 0.149 0.000 0.876 1569 Q CB -1.179 27.620 28.738 0.101 0.000 0.921 1569 Q HN 0.289 nan 8.270 nan 0.000 0.446 1570 L N -0.798 120.520 121.223 0.158 0.000 2.291 1570 L HA 0.002 4.202 4.340 -0.233 0.000 0.214 1570 L C 1.113 177.838 176.870 -0.242 0.000 1.120 1570 L CA 0.646 55.447 54.840 -0.065 0.000 0.799 1570 L CB -0.132 41.810 42.059 -0.195 0.000 0.925 1570 L HN 0.212 nan 8.230 nan 0.000 0.446 1571 F N -1.079 118.939 119.950 0.114 0.000 2.660 1571 F HA 0.050 4.438 4.527 -0.231 0.000 0.302 1571 F C 1.972 177.812 175.800 0.067 0.000 1.103 1571 F CA 0.145 58.203 58.000 0.097 0.000 1.340 1571 F CB 0.018 39.063 39.000 0.075 0.000 1.048 1571 F HN 0.042 nan 8.300 nan 0.000 0.551 1572 S N -2.373 113.409 115.700 0.137 0.000 2.578 1572 S HA 0.142 4.472 4.470 -0.233 0.000 0.228 1572 S C 0.509 175.094 174.600 -0.026 0.000 1.022 1572 S CA -0.439 57.803 58.200 0.070 0.000 0.967 1572 S CB -0.021 63.221 63.200 0.070 0.000 0.914 1572 S HN 0.007 nan 8.310 nan 0.000 0.515 1573 Q N 2.918 122.657 119.800 -0.102 0.000 2.293 1573 Q HA 0.279 4.480 4.340 -0.233 0.000 0.263 1573 Q C -0.014 175.678 176.000 -0.514 0.000 1.002 1573 Q CA -0.090 55.510 55.803 -0.338 0.000 0.910 1573 Q CB 1.449 29.887 28.738 -0.499 0.000 1.185 1573 Q HN 0.482 nan 8.270 nan 0.000 0.401 1574 V N 1.648 121.323 119.914 -0.397 0.000 2.432 1574 V HA 0.343 4.323 4.120 -0.233 0.000 0.271 1574 V C -0.695 175.161 176.094 -0.396 0.000 1.046 1574 V CA -0.636 61.499 62.300 -0.275 0.000 0.945 1574 V CB -0.110 31.658 31.823 -0.092 0.000 0.992 1574 V HN 0.466 nan 8.190 nan 0.000 0.471 1575 Y N 6.767 127.085 120.300 0.031 0.000 2.320 1575 Y HA 0.466 4.878 4.550 -0.231 0.000 0.324 1575 Y C -1.067 174.867 175.900 0.057 0.000 1.190 1575 Y CA -2.021 56.102 58.100 0.039 0.000 1.215 1575 Y CB 1.375 39.848 38.460 0.022 0.000 1.221 1575 Y HN 0.436 nan 8.280 nan 0.000 0.486 1576 P HA -0.132 nan 4.420 nan 0.000 0.219 1576 P C 1.110 178.493 177.300 0.140 0.000 1.150 1576 P CA 1.333 64.527 63.100 0.156 0.000 0.814 1576 P CB 0.400 32.207 31.700 0.178 0.000 0.787 1577 V N 0.904 120.905 119.914 0.144 0.000 2.331 1577 V HA -0.136 3.844 4.120 -0.233 0.000 0.242 1577 V C 2.914 179.106 176.094 0.162 0.000 1.034 1577 V CA 2.643 65.016 62.300 0.121 0.000 1.027 1577 V CB -2.071 29.805 31.823 0.088 0.000 0.667 1577 V HN 0.246 nan 8.190 nan 0.000 0.457 1578 T N -2.272 112.388 114.554 0.176 0.000 2.995 1578 T HA -0.193 4.018 4.350 -0.233 0.000 0.269 1578 T C 1.157 176.008 174.700 0.251 0.000 1.091 1578 T CA 1.001 63.248 62.100 0.246 0.000 1.128 1578 T CB -0.406 68.491 68.868 0.048 0.000 0.891 1578 T HN 0.552 nan 8.240 nan 0.000 0.492 1579 Q N 0.673 120.579 119.800 0.177 0.000 2.461 1579 Q HA -0.174 4.026 4.340 -0.233 0.000 0.264 1579 Q C 0.102 176.183 176.000 0.135 0.000 1.085 1579 Q CA 1.001 56.886 55.803 0.137 0.000 1.006 1579 Q CB -2.150 26.663 28.738 0.123 0.000 1.437 1579 Q HN 0.708 nan 8.270 nan 0.000 0.514 1580 T N -1.976 112.662 114.554 0.140 0.000 2.681 1580 T HA 0.533 4.743 4.350 -0.233 0.000 0.296 1580 T C -0.307 174.453 174.700 0.101 0.000 1.157 1580 T CA 0.053 62.225 62.100 0.120 0.000 1.025 1580 T CB 1.768 70.743 68.868 0.177 0.000 1.441 1580 T HN 0.239 nan 8.240 nan 0.000 0.504 1581 T N 0.416 115.026 114.554 0.093 0.000 2.816 1581 T HA 0.590 4.800 4.350 -0.233 0.000 0.282 1581 T C 1.086 175.862 174.700 0.128 0.000 0.993 1581 T CA -0.640 61.535 62.100 0.124 0.000 0.994 1581 T CB -0.099 68.835 68.868 0.109 0.000 1.025 1581 T HN 0.821 nan 8.240 nan 0.000 0.529 1582 I N -1.045 119.626 120.570 0.168 0.000 3.112 1582 I HA 0.358 4.389 4.170 -0.233 0.000 0.284 1582 I C -0.285 175.896 176.117 0.107 0.000 1.227 1582 I CA -0.248 61.093 61.300 0.068 0.000 1.369 1582 I CB 0.310 38.316 38.000 0.009 0.000 1.376 1582 I HN 0.507 nan 8.210 nan 0.000 0.608 1583 D N 5.478 125.925 120.400 0.078 0.000 2.420 1583 D HA 0.358 4.858 4.640 -0.233 0.000 0.255 1583 D C -1.980 174.388 176.300 0.112 0.000 1.185 1583 D CA -2.161 51.897 54.000 0.097 0.000 0.904 1583 D CB 1.583 42.410 40.800 0.045 0.000 1.102 1583 D HN 0.393 nan 8.370 nan 0.000 0.534 1584 P HA 0.001 nan 4.420 nan 0.000 0.249 1584 P C 0.929 178.253 177.300 0.040 0.000 1.229 1584 P CA 0.161 63.340 63.100 0.131 0.000 0.788 1584 P CB 0.186 31.979 31.700 0.156 0.000 1.072 1585 S N -1.342 114.381 115.700 0.039 0.000 2.515 1585 S HA 0.043 4.373 4.470 -0.233 0.000 0.231 1585 S C 0.788 175.393 174.600 0.007 0.000 0.987 1585 S CA 0.156 58.364 58.200 0.015 0.000 0.936 1585 S CB -0.677 62.539 63.200 0.027 0.000 0.766 1585 S HN -0.046 nan 8.310 nan 0.000 0.528 1586 V N 2.122 122.043 119.914 0.011 0.000 2.531 1586 V HA 0.392 4.373 4.120 -0.233 0.000 0.301 1586 V C -0.486 175.583 176.094 -0.042 0.000 1.034 1586 V CA -0.984 61.316 62.300 -0.000 0.000 0.865 1586 V CB 1.948 33.797 31.823 0.043 0.000 0.995 1586 V HN 0.239 nan 8.190 nan 0.000 0.424 1587 K N 4.911 125.269 120.400 -0.069 0.000 2.172 1587 K HA 0.581 4.761 4.320 -0.233 0.000 0.276 1587 K C -0.738 175.748 176.600 -0.189 0.000 1.013 1587 K CA -0.460 55.755 56.287 -0.119 0.000 0.913 1587 K CB 1.929 34.358 32.500 -0.118 0.000 1.055 1587 K HN 0.524 nan 8.250 nan 0.000 0.461 1588 I N 3.795 124.178 120.570 -0.311 0.000 2.291 1588 I HA 0.059 4.089 4.170 -0.233 0.000 0.292 1588 I C 1.013 176.868 176.117 -0.436 0.000 1.064 1588 I CA 0.143 61.134 61.300 -0.515 0.000 1.269 1588 I CB 0.502 37.923 38.000 -0.964 0.000 1.418 1588 I HN 0.533 nan 8.210 nan 0.000 0.485 1589 K N 4.365 124.563 120.400 -0.338 0.000 2.380 1589 K HA 0.237 4.418 4.320 -0.233 0.000 0.198 1589 K C 0.141 176.602 176.600 -0.231 0.000 1.070 1589 K CA 0.147 56.276 56.287 -0.262 0.000 1.040 1589 K CB 0.958 33.345 32.500 -0.187 0.000 0.903 1589 K HN 0.542 nan 8.250 nan 0.000 0.549 1590 E N -0.139 119.892 120.200 -0.281 0.000 2.335 1590 E HA 0.149 4.359 4.350 -0.233 0.000 0.280 1590 E C -1.665 174.825 176.600 -0.184 0.000 0.918 1590 E CA -0.683 55.627 56.400 -0.150 0.000 0.765 1590 E CB 0.974 30.666 29.700 -0.013 0.000 1.218 1590 E HN -0.032 nan 8.360 nan 0.000 0.425 1591 W N 2.597 124.005 121.300 0.180 0.000 2.251 1591 W HA 0.425 4.948 4.660 -0.229 0.000 0.329 1591 W C 0.493 177.197 176.519 0.309 0.000 1.234 1591 W CA 0.085 57.591 57.345 0.268 0.000 1.228 1591 W CB 1.327 31.003 29.460 0.361 0.000 1.135 1591 W HN 0.511 nan 8.180 nan 0.000 0.576 1592 S N 0.120 116.144 115.700 0.540 0.000 2.656 1592 S HA 0.657 4.988 4.470 -0.233 0.000 0.273 1592 S C 0.364 175.226 174.600 0.436 0.000 1.168 1592 S CA -0.438 58.011 58.200 0.416 0.000 0.817 1592 S CB 1.141 64.453 63.200 0.185 0.000 1.146 1592 S HN 0.726 nan 8.310 nan 0.000 0.475 1593 A N 1.408 124.466 122.820 0.396 0.000 1.986 1593 A HA -0.138 4.042 4.320 -0.233 0.000 0.220 1593 A C 2.011 179.788 177.584 0.322 0.000 1.171 1593 A CA 2.122 54.426 52.037 0.447 0.000 0.640 1593 A CB -1.243 17.768 19.000 0.018 0.000 0.811 1593 A HN 1.027 nan 8.150 nan 0.000 0.451 1594 K N -1.888 118.544 120.400 0.054 0.000 2.281 1594 K HA -0.180 4.001 4.320 -0.233 0.000 0.203 1594 K C 0.752 177.296 176.600 -0.093 0.000 1.046 1594 K CA 1.738 57.969 56.287 -0.093 0.000 0.938 1594 K CB -0.426 31.897 32.500 -0.294 0.000 0.737 1594 K HN 0.473 nan 8.250 nan 0.000 0.458 1595 Y N -0.194 120.131 120.300 0.042 0.000 2.524 1595 Y HA 0.333 4.744 4.550 -0.232 0.000 0.266 1595 Y C -0.372 175.347 175.900 -0.302 0.000 1.180 1595 Y CA -1.077 56.952 58.100 -0.118 0.000 1.244 1595 Y CB 0.111 38.491 38.460 -0.134 0.000 1.125 1595 Y HN -0.111 nan 8.280 nan 0.000 0.524 1596 F N -0.707 119.470 119.950 0.379 0.000 2.546 1596 F HA 0.393 4.779 4.527 -0.236 0.000 0.320 1596 F C 1.059 176.940 175.800 0.136 0.000 1.076 1596 F CA -1.242 56.895 58.000 0.228 0.000 0.928 1596 F CB 1.178 40.338 39.000 0.267 0.000 1.189 1596 F HN -0.258 nan 8.300 nan 0.000 0.465 1597 N N 0.596 119.383 118.700 0.144 0.000 2.416 1597 N HA 0.248 4.848 4.740 -0.233 0.000 0.177 1597 N C 0.647 176.131 175.510 -0.043 0.000 1.036 1597 N CA 0.897 53.951 53.050 0.007 0.000 0.901 1597 N CB 0.560 38.872 38.487 -0.291 0.000 0.976 1597 N HN 0.872 nan 8.380 nan 0.000 0.444 1598 G N -1.640 106.948 108.800 -0.353 0.000 2.367 1598 G HA2 0.281 4.101 3.960 -0.233 0.000 0.272 1598 G HA3 0.281 4.101 3.960 -0.233 0.000 0.272 1598 G C -1.597 172.969 174.900 -0.555 0.000 1.271 1598 G CA -0.167 44.396 45.100 -0.895 0.000 0.893 1598 G HN 0.090 nan 8.290 nan 0.000 0.485 1599 T N 0.092 114.440 114.554 -0.343 0.000 2.885 1599 T HA 0.505 4.715 4.350 -0.233 0.000 0.322 1599 T C -0.614 174.054 174.700 -0.054 0.000 1.387 1599 T CA -0.041 61.962 62.100 -0.162 0.000 1.041 1599 T CB 1.112 69.927 68.868 -0.088 0.000 1.287 1599 T HN 1.261 nan 8.240 nan 0.000 0.491 1600 N N 3.430 122.103 118.700 -0.045 0.000 2.344 1600 N HA 0.093 4.693 4.740 -0.233 0.000 0.236 1600 N C 0.712 176.064 175.510 -0.264 0.000 1.279 1600 N CA -0.209 52.703 53.050 -0.230 0.000 0.882 1600 N CB 0.001 38.307 38.487 -0.302 0.000 1.110 1600 N HN 0.872 nan 8.380 nan 0.000 0.436 1601 I N -2.649 117.712 120.570 -0.348 0.000 2.872 1601 I HA -0.037 3.993 4.170 -0.233 0.000 0.291 1601 I C 0.696 176.672 176.117 -0.235 0.000 1.216 1601 I CA -0.106 61.040 61.300 -0.257 0.000 1.424 1601 I CB 0.175 38.041 38.000 -0.224 0.000 1.351 1601 I HN 0.453 nan 8.210 nan 0.000 0.592 1602 L N 3.385 124.581 121.223 -0.044 0.000 2.731 1602 L HA 0.264 4.464 4.340 -0.233 0.000 0.240 1602 L C 0.510 177.349 176.870 -0.052 0.000 1.120 1602 L CA -0.049 54.736 54.840 -0.092 0.000 0.913 1602 L CB -0.542 41.569 42.059 0.088 0.000 1.213 1602 L HN 0.879 nan 8.230 nan 0.000 0.515 1603 H N -1.272 117.830 119.070 0.054 0.000 3.132 1603 H HA -0.147 4.269 4.556 -0.233 0.000 0.237 1603 H C 1.526 176.825 175.328 -0.047 0.000 1.189 1603 H CA 0.107 56.156 56.048 0.002 0.000 1.129 1603 H CB -0.910 28.840 29.762 -0.019 0.000 1.225 1603 H HN 0.328 nan 8.280 nan 0.000 0.323 1604 R N 1.238 121.742 120.500 0.006 0.000 2.193 1604 R HA 0.144 4.344 4.340 -0.233 0.000 0.213 1604 R C 1.221 177.465 176.300 -0.094 0.000 1.055 1604 R CA 0.821 56.720 56.100 -0.335 0.000 0.995 1604 R CB 0.527 30.361 30.300 -0.776 0.000 0.893 1604 R HN 0.402 nan 8.270 nan 0.000 0.459 1605 G N -0.783 108.103 108.800 0.142 0.000 2.697 1605 G HA2 -0.063 3.758 3.960 -0.233 0.000 0.686 1605 G HA3 -0.063 3.758 3.960 -0.233 0.000 0.686 1605 G C 0.433 175.526 174.900 0.321 0.000 1.179 1605 G CA -0.446 44.794 45.100 0.235 0.000 0.765 1605 G HN 0.140 nan 8.290 nan 0.000 0.649 1606 A N 0.505 123.479 122.820 0.256 0.000 1.927 1606 A HA 0.194 4.374 4.320 -0.233 0.000 0.220 1606 A C 2.587 180.346 177.584 0.292 0.000 1.185 1606 A CA 2.797 54.987 52.037 0.254 0.000 0.639 1606 A CB -0.521 18.567 19.000 0.146 0.000 0.820 1606 A HN 2.400 nan 8.150 nan 0.000 0.451 1607 G N -3.311 105.674 108.800 0.307 0.000 3.189 1607 G HA2 0.164 3.984 3.960 -0.233 0.000 0.225 1607 G HA3 0.164 3.984 3.960 -0.233 0.000 0.225 1607 G C 1.029 176.332 174.900 0.671 0.000 1.159 1607 G CA 0.534 45.863 45.100 0.381 0.000 0.763 1607 G HN 0.440 nan 8.290 nan 0.000 0.549 1608 Y N 1.503 122.078 120.300 0.458 0.000 2.114 1608 Y HA -0.101 4.309 4.550 -0.232 0.000 0.282 1608 Y C 1.316 177.300 175.900 0.140 0.000 1.165 1608 Y CA 0.520 58.769 58.100 0.249 0.000 1.148 1608 Y CB -0.193 38.281 38.460 0.024 0.000 0.972 1608 Y HN -0.025 nan 8.280 nan 0.000 0.504 1609 V N 3.518 123.516 119.914 0.140 0.000 2.470 1609 V HA 0.021 4.001 4.120 -0.233 0.000 0.276 1609 V C 0.219 176.461 176.094 0.246 0.000 1.040 1609 V CA -0.510 61.844 62.300 0.091 0.000 1.008 1609 V CB 0.357 32.248 31.823 0.115 0.000 0.990 1609 V HN 0.099 nan 8.190 nan 0.000 0.477 1610 L N 7.166 128.503 121.223 0.190 0.000 2.380 1610 L HA 0.518 4.719 4.340 -0.233 0.000 0.273 1610 L C 0.384 177.342 176.870 0.145 0.000 1.138 1610 L CA -0.042 54.943 54.840 0.242 0.000 0.832 1610 L CB 0.413 42.541 42.059 0.114 0.000 1.124 1610 L HN 0.686 nan 8.230 nan 0.000 0.454 1611 R N 1.234 121.740 120.500 0.009 0.000 2.771 1611 R HA 0.454 4.654 4.340 -0.233 0.000 0.274 1611 R C -0.564 175.564 176.300 -0.286 0.000 0.987 1611 R CA -0.805 55.070 56.100 -0.374 0.000 0.908 1611 R CB 1.650 31.683 30.300 -0.445 0.000 1.213 1611 R HN 0.680 nan 8.270 nan 0.000 0.468 1612 S N 0.785 116.212 115.700 -0.455 0.000 2.587 1612 S HA 0.018 4.348 4.470 -0.233 0.000 0.260 1612 S C 0.736 175.370 174.600 0.056 0.000 1.353 1612 S CA -0.576 57.621 58.200 -0.005 0.000 0.995 1612 S CB 0.469 63.791 63.200 0.204 0.000 0.912 1612 S HN 0.630 nan 8.310 nan 0.000 0.568 1613 N N 2.254 121.030 118.700 0.126 0.000 2.091 1613 N HA -0.173 4.428 4.740 -0.233 0.000 0.193 1613 N C 1.115 176.645 175.510 0.034 0.000 1.021 1613 N CA 1.838 54.936 53.050 0.080 0.000 0.862 1613 N CB -0.843 37.700 38.487 0.092 0.000 1.018 1613 N HN 0.932 nan 8.380 nan 0.000 0.429 1614 D N -0.804 119.615 120.400 0.032 0.000 2.378 1614 D HA 0.064 4.564 4.640 -0.233 0.000 0.227 1614 D C 1.128 177.403 176.300 -0.042 0.000 1.012 1614 D CA 0.747 54.746 54.000 -0.002 0.000 0.905 1614 D CB -0.531 40.268 40.800 -0.002 0.000 0.895 1614 D HN 0.309 nan 8.370 nan 0.000 0.532 1615 G N 0.004 108.756 108.800 -0.080 0.000 2.157 1615 G HA2 -0.320 3.500 3.960 -0.233 0.000 0.248 1615 G HA3 -0.320 3.500 3.960 -0.233 0.000 0.248 1615 G C 0.131 174.886 174.900 -0.243 0.000 0.979 1615 G CA 0.132 45.135 45.100 -0.162 0.000 0.650 1615 G HN 0.589 nan 8.290 nan 0.000 0.529 1616 K N 0.193 120.493 120.400 -0.168 0.000 2.201 1616 K HA 0.554 4.734 4.320 -0.233 0.000 0.278 1616 K C -0.236 176.283 176.600 -0.136 0.000 1.027 1616 K CA -0.766 55.457 56.287 -0.106 0.000 0.909 1616 K CB 0.341 32.782 32.500 -0.099 0.000 1.062 1616 K HN 0.131 nan 8.250 nan 0.000 0.465 1617 Y N 2.941 123.291 120.300 0.084 0.000 2.319 1617 Y HA 0.071 4.482 4.550 -0.233 0.000 0.328 1617 Y C -0.074 175.874 175.900 0.080 0.000 1.133 1617 Y CA -0.098 58.051 58.100 0.081 0.000 1.265 1617 Y CB 0.374 39.017 38.460 0.306 0.000 1.218 1617 Y HN 0.423 nan 8.280 nan 0.000 0.508 1618 Y N 2.350 122.782 120.300 0.220 0.000 2.480 1618 Y HA 0.100 4.510 4.550 -0.233 0.000 0.338 1618 Y C 0.712 176.591 175.900 -0.034 0.000 1.220 1618 Y CA -0.204 57.873 58.100 -0.039 0.000 1.430 1618 Y CB 0.306 38.588 38.460 -0.296 0.000 1.311 1618 Y HN 0.582 nan 8.280 nan 0.000 0.575 1619 N N 1.939 120.669 118.700 0.050 0.000 2.446 1619 N HA 0.167 4.768 4.740 -0.233 0.000 0.272 1619 N C -0.099 175.333 175.510 -0.130 0.000 1.127 1619 N CA -0.454 52.500 53.050 -0.160 0.000 0.896 1619 N CB 1.361 39.661 38.487 -0.312 0.000 1.658 1619 N HN 0.635 nan 8.380 nan 0.000 0.483 1620 L N 1.623 122.762 121.223 -0.141 0.000 2.362 1620 L HA 0.047 4.248 4.340 -0.233 0.000 0.219 1620 L C 1.506 178.308 176.870 -0.115 0.000 1.134 1620 L CA 1.622 56.407 54.840 -0.092 0.000 0.807 1620 L CB -0.397 41.640 42.059 -0.038 0.000 0.927 1620 L HN 0.966 nan 8.230 nan 0.000 0.447 1621 G N -1.502 107.222 108.800 -0.126 0.000 2.205 1621 G HA2 -0.230 3.591 3.960 -0.233 0.000 0.180 1621 G HA3 -0.230 3.591 3.960 -0.233 0.000 0.180 1621 G C 0.789 175.643 174.900 -0.077 0.000 1.004 1621 G CA 0.336 45.377 45.100 -0.099 0.000 0.670 1621 G HN 0.184 nan 8.290 nan 0.000 0.496 1622 T N 0.483 114.984 114.554 -0.088 0.000 2.812 1622 T HA 0.099 4.309 4.350 -0.233 0.000 0.264 1622 T C 2.324 177.014 174.700 -0.017 0.000 1.042 1622 T CA 2.039 64.106 62.100 -0.055 0.000 1.140 1622 T CB -0.079 68.749 68.868 -0.067 0.000 0.870 1622 T HN 0.306 nan 8.240 nan 0.000 0.445 1623 S N -0.648 115.026 115.700 -0.045 0.000 2.549 1623 S HA 0.309 4.639 4.470 -0.233 0.000 0.225 1623 S C 0.680 175.297 174.600 0.029 0.000 1.039 1623 S CA -0.170 58.071 58.200 0.068 0.000 0.942 1623 S CB 0.849 64.175 63.200 0.210 0.000 0.881 1623 S HN 0.509 nan 8.310 nan 0.000 0.503 1624 T N 0.083 114.603 114.554 -0.056 0.000 2.653 1624 T HA 0.266 4.477 4.350 -0.233 0.000 0.306 1624 T C -1.909 172.769 174.700 -0.037 0.000 1.426 1624 T CA -0.569 61.522 62.100 -0.015 0.000 1.008 1624 T CB 0.976 69.874 68.868 0.049 0.000 1.692 1624 T HN 0.085 nan 8.240 nan 0.000 0.483 1625 Q N 1.490 121.285 119.800 -0.008 0.000 2.315 1625 Q HA 0.093 4.293 4.340 -0.233 0.000 0.289 1625 Q C -0.029 175.971 176.000 -0.000 0.000 1.044 1625 Q CA 0.143 55.937 55.803 -0.015 0.000 0.920 1625 Q CB 0.419 29.143 28.738 -0.022 0.000 1.214 1625 Q HN 0.561 nan 8.270 nan 0.000 0.392 1626 Q N 3.696 123.472 119.800 -0.041 0.000 2.244 1626 Q HA 0.131 4.331 4.340 -0.233 0.000 0.278 1626 Q C -1.656 174.367 176.000 0.038 0.000 1.093 1626 Q CA 0.205 55.960 55.803 -0.081 0.000 0.916 1626 Q CB 0.276 28.894 28.738 -0.201 0.000 1.159 1626 Q HN 0.505 nan 8.270 nan 0.000 0.384 1627 F N 6.051 125.929 119.950 -0.121 0.000 2.630 1627 F HA 0.402 4.789 4.527 -0.233 0.000 0.325 1627 F C -2.290 173.546 175.800 0.060 0.000 1.184 1627 F CA -1.008 56.983 58.000 -0.016 0.000 1.011 1627 F CB 1.056 40.084 39.000 0.047 0.000 1.268 1627 F HN 0.413 nan 8.300 nan 0.000 0.480 1628 L N 6.350 127.359 121.223 -0.356 0.000 2.323 1628 L HA 0.642 4.842 4.340 -0.233 0.000 0.265 1628 L C -2.295 174.020 176.870 -0.924 0.000 1.012 1628 L CA -2.394 52.096 54.840 -0.582 0.000 0.820 1628 L CB 1.927 43.831 42.059 -0.258 0.000 1.334 1628 L HN 0.411 nan 8.230 nan 0.000 0.427 1629 P HA 0.034 nan 4.420 nan 0.000 0.269 1629 P C 0.745 177.792 177.300 -0.422 0.000 1.217 1629 P CA 0.081 62.581 63.100 -0.999 0.000 0.783 1629 P CB 0.537 31.521 31.700 -1.193 0.000 0.898 1630 S N 1.016 116.618 115.700 -0.162 0.000 2.382 1630 S HA -0.249 4.081 4.470 -0.233 0.000 0.228 1630 S C 1.478 176.034 174.600 -0.074 0.000 1.027 1630 S CA 1.252 59.419 58.200 -0.055 0.000 0.991 1630 S CB -0.952 62.272 63.200 0.039 0.000 0.823 1630 S HN 0.397 nan 8.310 nan 0.000 0.469 1631 Q N 0.452 120.206 119.800 -0.077 0.000 2.369 1631 Q HA 0.292 4.493 4.340 -0.233 0.000 0.206 1631 Q C 1.587 177.496 176.000 -0.152 0.000 0.963 1631 Q CA 0.642 56.399 55.803 -0.076 0.000 0.894 1631 Q CB -0.342 28.372 28.738 -0.039 0.000 0.965 1631 Q HN 0.437 nan 8.270 nan 0.000 0.475 1632 L N -0.965 120.102 121.223 -0.259 0.000 2.554 1632 L HA 0.162 4.363 4.340 -0.233 0.000 0.225 1632 L C 0.150 176.930 176.870 -0.151 0.000 1.104 1632 L CA 0.423 55.086 54.840 -0.296 0.000 0.866 1632 L CB 0.467 42.222 42.059 -0.506 0.000 1.047 1632 L HN -0.125 nan 8.230 nan 0.000 0.468 1633 S N -0.696 114.944 115.700 -0.100 0.000 2.616 1633 S HA 0.468 4.798 4.470 -0.233 0.000 0.277 1633 S C -0.299 174.297 174.600 -0.008 0.000 1.234 1633 S CA -0.742 57.460 58.200 0.004 0.000 1.028 1633 S CB 1.842 65.038 63.200 -0.006 0.000 0.988 1633 S HN -0.002 nan 8.310 nan 0.000 0.522 1634 V N 1.899 121.834 119.914 0.034 0.000 2.508 1634 V HA 0.355 4.336 4.120 -0.233 0.000 0.281 1634 V C -0.110 175.975 176.094 -0.016 0.000 1.041 1634 V CA -0.586 61.711 62.300 -0.005 0.000 1.016 1634 V CB 0.101 31.931 31.823 0.012 0.000 0.984 1634 V HN 0.678 nan 8.190 nan 0.000 0.478 1635 Q N 2.271 122.041 119.800 -0.051 0.000 2.245 1635 Q HA 0.344 4.544 4.340 -0.233 0.000 0.256 1635 Q C -0.412 175.545 176.000 -0.072 0.000 0.942 1635 Q CA -0.519 55.237 55.803 -0.079 0.000 0.896 1635 Q CB 2.213 30.865 28.738 -0.143 0.000 1.272 1635 Q HN 0.882 nan 8.270 nan 0.000 0.442 1636 D N 1.781 122.148 120.400 -0.056 0.000 2.382 1636 D HA -0.005 4.495 4.640 -0.233 0.000 0.259 1636 D C -0.286 176.006 176.300 -0.015 0.000 1.224 1636 D CA 0.282 54.272 54.000 -0.017 0.000 0.894 1636 D CB 0.416 41.227 40.800 0.018 0.000 1.127 1636 D HN 0.501 nan 8.370 nan 0.000 0.487 1637 N N 2.540 121.255 118.700 0.025 0.000 2.235 1637 N HA -0.016 4.584 4.740 -0.233 0.000 0.209 1637 N C -0.278 175.334 175.510 0.169 0.000 1.122 1637 N CA -0.353 52.747 53.050 0.082 0.000 0.845 1637 N CB 0.535 39.042 38.487 0.033 0.000 1.004 1637 N HN 0.421 nan 8.380 nan 0.000 0.499 1638 E N 0.760 121.042 120.200 0.136 0.000 2.220 1638 E HA 0.197 4.407 4.350 -0.233 0.000 0.272 1638 E C 1.136 177.744 176.600 0.013 0.000 1.099 1638 E CA 0.603 57.043 56.400 0.067 0.000 0.907 1638 E CB -0.073 29.645 29.700 0.029 0.000 1.022 1638 E HN 0.308 nan 8.360 nan 0.000 0.428 1639 G N 3.305 112.051 108.800 -0.089 0.000 2.217 1639 G HA2 -0.291 3.529 3.960 -0.233 0.000 0.246 1639 G HA3 -0.291 3.529 3.960 -0.233 0.000 0.246 1639 G C -0.345 174.285 174.900 -0.449 0.000 0.990 1639 G CA 0.220 45.112 45.100 -0.347 0.000 0.627 1639 G HN 0.492 nan 8.290 nan 0.000 0.522 1640 Y N 0.559 120.776 120.300 -0.137 0.000 2.419 1640 Y HA 0.529 4.940 4.550 -0.233 0.000 0.328 1640 Y C 1.292 177.098 175.900 -0.156 0.000 1.162 1640 Y CA 0.579 58.593 58.100 -0.143 0.000 1.174 1640 Y CB 1.556 39.947 38.460 -0.114 0.000 1.228 1640 Y HN 1.151 nan 8.280 nan 0.000 0.473 1641 G N 1.080 109.748 108.800 -0.220 0.000 2.553 1641 G HA2 -0.270 3.550 3.960 -0.233 0.000 0.242 1641 G HA3 -0.270 3.550 3.960 -0.233 0.000 0.242 1641 G C -1.014 173.682 174.900 -0.340 0.000 1.277 1641 G CA -0.781 44.078 45.100 -0.402 0.000 0.910 1641 G HN 0.470 nan 8.290 nan 0.000 0.576 1642 F N 0.640 120.663 119.950 0.122 0.000 2.438 1642 F HA 0.510 4.897 4.527 -0.233 0.000 0.360 1642 F C 0.918 176.861 175.800 0.238 0.000 1.118 1642 F CA -0.347 57.759 58.000 0.176 0.000 1.164 1642 F CB 1.272 40.368 39.000 0.160 0.000 1.131 1642 F HN 0.291 nan 8.300 nan 0.000 0.527 1643 V N 3.656 123.789 119.914 0.364 0.000 2.495 1643 V HA 0.311 4.291 4.120 -0.233 0.000 0.298 1643 V C -0.051 176.141 176.094 0.162 0.000 1.031 1643 V CA -1.317 61.153 62.300 0.284 0.000 0.871 1643 V CB 1.816 33.783 31.823 0.241 0.000 0.988 1643 V HN 0.496 nan 8.190 nan 0.000 0.432 1644 K N 3.479 123.879 120.400 -0.001 0.000 2.322 1644 K HA 0.388 4.568 4.320 -0.233 0.000 0.283 1644 K C -0.415 176.055 176.600 -0.217 0.000 1.042 1644 K CA 0.362 56.411 56.287 -0.397 0.000 0.958 1644 K CB 0.417 32.647 32.500 -0.449 0.000 0.984 1644 K HN 0.789 nan 8.250 nan 0.000 0.473 1645 E N 2.868 122.895 120.200 -0.289 0.000 2.287 1645 E HA 0.337 4.547 4.350 -0.233 0.000 0.274 1645 E C -0.149 176.350 176.600 -0.168 0.000 0.896 1645 E CA -0.257 56.062 56.400 -0.135 0.000 0.788 1645 E CB 1.565 31.295 29.700 0.050 0.000 1.244 1645 E HN 0.834 nan 8.360 nan 0.000 0.408 1646 G N 3.531 112.261 108.800 -0.117 0.000 2.583 1646 G HA2 -0.406 3.415 3.960 -0.233 0.000 0.292 1646 G HA3 -0.406 3.415 3.960 -0.233 0.000 0.292 1646 G C 0.427 175.231 174.900 -0.160 0.000 1.203 1646 G CA 0.655 45.690 45.100 -0.108 0.000 0.987 1646 G HN 0.590 nan 8.290 nan 0.000 0.554 1647 N N 1.904 120.515 118.700 -0.148 0.000 2.268 1647 N HA 0.218 4.818 4.740 -0.233 0.000 0.204 1647 N C -0.027 175.355 175.510 -0.214 0.000 1.124 1647 N CA 0.017 52.971 53.050 -0.159 0.000 0.838 1647 N CB 0.172 38.604 38.487 -0.093 0.000 0.994 1647 N HN 0.387 nan 8.380 nan 0.000 0.489 1648 N N -0.106 118.415 118.700 -0.299 0.000 2.430 1648 N HA 0.219 4.820 4.740 -0.233 0.000 0.298 1648 N C -1.172 173.984 175.510 -0.590 0.000 1.130 1648 N CA -0.286 52.541 53.050 -0.372 0.000 0.894 1648 N CB 1.034 39.307 38.487 -0.356 0.000 1.209 1648 N HN 0.040 nan 8.380 nan 0.000 0.503 1649 Y N 0.734 120.787 120.300 -0.413 0.000 2.330 1649 Y HA 0.271 4.681 4.550 -0.233 0.000 0.336 1649 Y C 0.733 176.369 175.900 -0.440 0.000 1.036 1649 Y CA -0.483 57.371 58.100 -0.409 0.000 1.125 1649 Y CB 0.920 39.096 38.460 -0.474 0.000 1.194 1649 Y HN 0.365 nan 8.280 nan 0.000 0.469 1650 H N 1.501 120.589 119.070 0.029 0.000 2.630 1650 H HA 0.251 4.668 4.556 -0.233 0.000 0.343 1650 H C -1.504 173.780 175.328 -0.074 0.000 1.232 1650 H CA -0.939 55.037 56.048 -0.120 0.000 1.294 1650 H CB 1.680 31.254 29.762 -0.314 0.000 1.746 1650 H HN 0.663 nan 8.280 nan 0.000 0.593 1651 Y N 0.993 121.147 120.300 -0.244 0.000 2.326 1651 Y HA 0.264 4.675 4.550 -0.233 0.000 0.331 1651 Y C -1.531 174.119 175.900 -0.416 0.000 0.962 1651 Y CA -0.755 57.110 58.100 -0.392 0.000 1.167 1651 Y CB 0.552 38.697 38.460 -0.526 0.000 1.148 1651 Y HN 0.397 nan 8.280 nan 0.000 0.463 1652 Y N 5.199 125.123 120.300 -0.626 0.000 2.335 1652 Y HA 0.239 4.650 4.550 -0.233 0.000 0.339 1652 Y C 0.371 175.908 175.900 -0.605 0.000 0.987 1652 Y CA -0.964 56.852 58.100 -0.474 0.000 1.140 1652 Y CB 0.686 38.911 38.460 -0.390 0.000 1.173 1652 Y HN 0.711 nan 8.280 nan 0.000 0.486 1653 D N 0.979 121.295 120.400 -0.139 0.000 2.356 1653 D HA -0.078 4.423 4.640 -0.233 0.000 0.258 1653 D C 1.257 177.645 176.300 0.146 0.000 1.279 1653 D CA -0.185 53.829 54.000 0.023 0.000 1.016 1653 D CB 0.480 41.369 40.800 0.149 0.000 1.107 1653 D HN 0.629 nan 8.370 nan 0.000 0.544 1654 E N -0.258 120.045 120.200 0.172 0.000 2.209 1654 E HA -0.262 3.948 4.350 -0.233 0.000 0.196 1654 E C 0.288 177.053 176.600 0.274 0.000 0.993 1654 E CA 0.986 57.502 56.400 0.194 0.000 0.819 1654 E CB -0.559 29.201 29.700 0.100 0.000 0.745 1654 E HN 0.383 nan 8.360 nan 0.000 0.477 1655 N N 1.160 119.975 118.700 0.192 0.000 2.276 1655 N HA 0.056 4.657 4.740 -0.233 0.000 0.212 1655 N C -0.146 175.418 175.510 0.090 0.000 1.127 1655 N CA 0.182 53.322 53.050 0.149 0.000 0.834 1655 N CB 0.281 38.822 38.487 0.089 0.000 1.014 1655 N HN 0.213 nan 8.380 nan 0.000 0.491 1656 K N 0.175 120.604 120.400 0.048 0.000 3.088 1656 K HA -0.180 4.000 4.320 -0.233 0.000 0.273 1656 K C -0.729 175.880 176.600 0.015 0.000 1.111 1656 K CA 0.663 56.810 56.287 -0.233 0.000 0.803 1656 K CB -0.541 31.669 32.500 -0.484 0.000 1.226 1656 K HN 0.214 nan 8.250 nan 0.000 0.485 1657 Q N 0.586 120.426 119.800 0.066 0.000 2.279 1657 Q HA 0.158 4.359 4.340 -0.233 0.000 0.256 1657 Q C 0.351 176.353 176.000 0.003 0.000 0.937 1657 Q CA -0.071 55.769 55.803 0.061 0.000 0.933 1657 Q CB 1.326 30.080 28.738 0.027 0.000 1.189 1657 Q HN 0.330 nan 8.270 nan 0.000 0.417 1658 M N 2.689 122.224 119.600 -0.109 0.000 2.269 1658 M HA 0.041 4.381 4.480 -0.233 0.000 0.350 1658 M C -0.618 175.532 176.300 -0.251 0.000 1.429 1658 M CA 0.032 55.051 55.300 -0.467 0.000 1.063 1658 M CB 0.420 32.702 32.600 -0.531 0.000 1.841 1658 M HN 0.282 nan 8.290 nan 0.000 0.455 1659 V N 6.715 126.498 119.914 -0.218 0.000 2.465 1659 V HA 0.312 4.292 4.120 -0.233 0.000 0.279 1659 V C -0.190 175.799 176.094 -0.176 0.000 1.045 1659 V CA -0.248 61.985 62.300 -0.111 0.000 0.938 1659 V CB 1.499 33.330 31.823 0.013 0.000 0.986 1659 V HN 0.778 nan 8.190 nan 0.000 0.467 1660 K N 2.652 122.957 120.400 -0.159 0.000 2.375 1660 K HA 0.460 4.641 4.320 -0.233 0.000 0.249 1660 K C -0.396 176.085 176.600 -0.199 0.000 0.942 1660 K CA -0.873 55.295 56.287 -0.197 0.000 0.806 1660 K CB 1.336 33.746 32.500 -0.151 0.000 1.227 1660 K HN 0.618 nan 8.250 nan 0.000 0.430 1661 D N 0.917 121.132 120.400 -0.309 0.000 2.697 1661 D HA -0.217 4.283 4.640 -0.233 0.000 0.238 1661 D C -1.681 174.554 176.300 -0.107 0.000 1.152 1661 D CA 1.239 55.111 54.000 -0.214 0.000 0.666 1661 D CB -0.591 40.196 40.800 -0.022 0.000 1.037 1661 D HN 0.713 nan 8.370 nan 0.000 0.423 1662 A N 0.546 123.185 122.820 -0.302 0.000 2.589 1662 A HA 0.624 4.804 4.320 -0.233 0.000 0.296 1662 A C -0.778 176.760 177.584 -0.075 0.000 1.062 1662 A CA -0.775 51.239 52.037 -0.039 0.000 0.686 1662 A CB 0.907 19.908 19.000 0.001 0.000 1.282 1662 A HN 0.084 nan 8.150 nan 0.000 0.404 1663 F N 1.888 121.972 119.950 0.222 0.000 2.396 1663 F HA 0.569 4.957 4.527 -0.233 0.000 0.343 1663 F C 0.353 176.367 175.800 0.358 0.000 1.104 1663 F CA -0.132 58.075 58.000 0.345 0.000 1.161 1663 F CB 1.169 40.356 39.000 0.311 0.000 1.146 1663 F HN 0.238 nan 8.300 nan 0.000 0.522 1664 I N 3.085 123.952 120.570 0.495 0.000 2.466 1664 I HA 0.225 4.255 4.170 -0.233 0.000 0.289 1664 I C -0.442 175.815 176.117 0.235 0.000 1.026 1664 I CA -0.779 60.650 61.300 0.215 0.000 1.078 1664 I CB 1.667 39.520 38.000 -0.245 0.000 1.249 1664 I HN 0.600 nan 8.210 nan 0.000 0.429 1665 Q N 4.633 124.306 119.800 -0.211 0.000 2.243 1665 Q HA 0.271 4.471 4.340 -0.233 0.000 0.252 1665 Q C -0.676 175.249 176.000 -0.125 0.000 0.909 1665 Q CA -0.597 54.841 55.803 -0.608 0.000 0.922 1665 Q CB 1.779 29.666 28.738 -1.417 0.000 1.215 1665 Q HN 0.686 nan 8.270 nan 0.000 0.427 1666 D N 0.966 121.378 120.400 0.020 0.000 2.451 1666 D HA 0.008 4.509 4.640 -0.233 0.000 0.259 1666 D C 0.708 177.033 176.300 0.043 0.000 1.201 1666 D CA -0.049 54.032 54.000 0.135 0.000 1.028 1666 D CB 0.754 41.689 40.800 0.225 0.000 1.095 1666 D HN 0.525 nan 8.370 nan 0.000 0.539 1667 S N -0.968 114.775 115.700 0.071 0.000 2.481 1667 S HA -0.120 4.211 4.470 -0.233 0.000 0.231 1667 S C 1.682 176.314 174.600 0.053 0.000 0.996 1667 S CA 0.821 59.057 58.200 0.059 0.000 0.942 1667 S CB -0.859 62.363 63.200 0.037 0.000 0.768 1667 S HN 0.652 nan 8.310 nan 0.000 0.520 1668 V N -2.822 117.113 119.914 0.035 0.000 3.483 1668 V HA 0.765 4.745 4.120 -0.233 0.000 0.301 1668 V C 1.282 177.386 176.094 0.017 0.000 1.389 1668 V CA 0.235 62.554 62.300 0.032 0.000 1.101 1668 V CB -0.616 31.221 31.823 0.024 0.000 0.971 1668 V HN 0.674 nan 8.190 nan 0.000 0.434 1669 G N 0.849 109.636 108.800 -0.021 0.000 2.253 1669 G HA2 -0.235 3.585 3.960 -0.233 0.000 0.209 1669 G HA3 -0.235 3.585 3.960 -0.233 0.000 0.209 1669 G C -0.018 174.806 174.900 -0.127 0.000 0.997 1669 G CA 0.020 45.085 45.100 -0.057 0.000 0.640 1669 G HN 0.650 nan 8.290 nan 0.000 0.496 1670 N N -0.244 118.393 118.700 -0.105 0.000 2.482 1670 N HA 0.481 5.082 4.740 -0.233 0.000 0.260 1670 N C -0.497 174.854 175.510 -0.265 0.000 1.236 1670 N CA 0.273 53.236 53.050 -0.146 0.000 0.938 1670 N CB 0.464 38.824 38.487 -0.212 0.000 1.128 1670 N HN 0.389 nan 8.380 nan 0.000 0.448 1671 W N 0.880 122.116 121.300 -0.105 0.000 2.606 1671 W HA 0.459 4.979 4.660 -0.233 0.000 0.332 1671 W C -0.836 175.623 176.519 -0.100 0.000 1.052 1671 W CA -0.372 57.013 57.345 0.066 0.000 1.223 1671 W CB 0.762 30.346 29.460 0.207 0.000 1.383 1671 W HN 0.377 nan 8.180 nan 0.000 0.524 1672 Y N 1.479 122.092 120.300 0.521 0.000 2.512 1672 Y HA 0.391 4.802 4.550 -0.233 0.000 0.348 1672 Y C -1.015 174.995 175.900 0.183 0.000 0.990 1672 Y CA -1.527 56.748 58.100 0.291 0.000 1.033 1672 Y CB 1.815 40.346 38.460 0.119 0.000 1.259 1672 Y HN 0.333 nan 8.280 nan 0.000 0.461 1673 Y N 3.006 123.169 120.300 -0.229 0.000 2.376 1673 Y HA 0.700 5.111 4.550 -0.233 0.000 0.340 1673 Y C -1.762 173.855 175.900 -0.473 0.000 0.965 1673 Y CA -1.319 56.416 58.100 -0.608 0.000 1.078 1673 Y CB 1.000 38.789 38.460 -1.119 0.000 1.193 1673 Y HN 0.559 nan 8.280 nan 0.000 0.452 1674 L N 6.737 127.415 121.223 -0.908 0.000 2.272 1674 L HA 0.322 4.522 4.340 -0.233 0.000 0.289 1674 L C -0.105 176.075 176.870 -1.151 0.000 1.032 1674 L CA -0.853 53.540 54.840 -0.746 0.000 0.810 1674 L CB 0.685 42.507 42.059 -0.395 0.000 1.205 1674 L HN 0.733 nan 8.230 nan 0.000 0.422 1675 D N 2.288 122.221 120.400 -0.779 0.000 2.372 1675 D HA 0.004 4.505 4.640 -0.233 0.000 0.243 1675 D C 0.653 176.769 176.300 -0.306 0.000 1.297 1675 D CA -0.277 53.420 54.000 -0.506 0.000 0.958 1675 D CB 0.717 41.436 40.800 -0.136 0.000 1.114 1675 D HN 0.335 nan 8.370 nan 0.000 0.496 1676 K N -0.955 119.368 120.400 -0.128 0.000 2.442 1676 K HA -0.086 4.095 4.320 -0.233 0.000 0.198 1676 K C 0.835 177.377 176.600 -0.098 0.000 1.044 1676 K CA 0.975 57.209 56.287 -0.088 0.000 0.948 1676 K CB -0.349 32.138 32.500 -0.022 0.000 0.762 1676 K HN 0.396 nan 8.250 nan 0.000 0.472 1677 N N -0.731 117.907 118.700 -0.103 0.000 2.280 1677 N HA 0.041 4.641 4.740 -0.233 0.000 0.192 1677 N C 0.518 175.948 175.510 -0.134 0.000 1.109 1677 N CA 0.414 53.405 53.050 -0.098 0.000 0.855 1677 N CB 1.260 39.711 38.487 -0.061 0.000 0.974 1677 N HN 0.237 nan 8.380 nan 0.000 0.482 1678 G N 0.345 109.044 108.800 -0.168 0.000 2.141 1678 G HA2 -0.238 3.582 3.960 -0.233 0.000 0.231 1678 G HA3 -0.238 3.582 3.960 -0.233 0.000 0.231 1678 G C -0.612 174.276 174.900 -0.019 0.000 0.984 1678 G CA -0.529 44.461 45.100 -0.182 0.000 0.660 1678 G HN 0.262 nan 8.290 nan 0.000 0.525 1679 N N 0.674 119.341 118.700 -0.056 0.000 2.426 1679 N HA 0.374 4.974 4.740 -0.233 0.000 0.257 1679 N C 0.578 175.994 175.510 -0.158 0.000 1.002 1679 N CA -0.392 52.634 53.050 -0.041 0.000 0.942 1679 N CB 1.265 39.730 38.487 -0.036 0.000 1.112 1679 N HN 0.496 nan 8.380 nan 0.000 0.499 1680 M N 2.362 121.870 119.600 -0.153 0.000 2.261 1680 M HA -0.039 4.302 4.480 -0.233 0.000 0.350 1680 M C -0.685 175.497 176.300 -0.198 0.000 1.343 1680 M CA 0.244 55.427 55.300 -0.195 0.000 1.003 1680 M CB 0.365 32.864 32.600 -0.169 0.000 1.848 1680 M HN 0.111 nan 8.290 nan 0.000 0.456 1681 V N 5.824 125.554 119.914 -0.305 0.000 2.465 1681 V HA 0.594 4.574 4.120 -0.233 0.000 0.279 1681 V C 0.506 176.485 176.094 -0.193 0.000 1.045 1681 V CA 0.116 62.250 62.300 -0.276 0.000 0.938 1681 V CB 0.894 32.484 31.823 -0.388 0.000 0.986 1681 V HN 0.957 nan 8.190 nan 0.000 0.467 1682 A N 3.837 126.630 122.820 -0.045 0.000 3.019 1682 A HA 0.286 4.466 4.320 -0.233 0.000 0.202 1682 A C 0.619 178.202 177.584 -0.002 0.000 0.924 1682 A CA -0.208 51.842 52.037 0.021 0.000 1.156 1682 A CB -0.193 18.821 19.000 0.024 0.000 1.265 1682 A HN 0.764 nan 8.150 nan 0.000 0.526 1683 N N 0.058 118.758 118.700 -0.002 0.000 2.205 1683 N HA 0.018 4.619 4.740 -0.233 0.000 0.201 1683 N C 0.515 175.947 175.510 -0.131 0.000 1.128 1683 N CA 0.495 53.512 53.050 -0.055 0.000 0.867 1683 N CB -0.001 38.464 38.487 -0.036 0.000 0.996 1683 N HN 0.536 nan 8.380 nan 0.000 0.503 1684 Q N -0.099 119.619 119.800 -0.136 0.000 2.475 1684 Q HA -0.164 4.036 4.340 -0.233 0.000 0.280 1684 Q C -1.231 174.577 176.000 -0.320 0.000 1.234 1684 Q CA 0.493 56.122 55.803 -0.290 0.000 0.873 1684 Q CB -1.509 26.953 28.738 -0.460 0.000 1.256 1684 Q HN 0.437 nan 8.270 nan 0.000 0.475 1685 S N 0.441 116.043 115.700 -0.164 0.000 2.542 1685 S HA 0.614 4.944 4.470 -0.233 0.000 0.293 1685 S C -2.594 171.976 174.600 -0.050 0.000 1.089 1685 S CA -1.120 57.009 58.200 -0.118 0.000 0.961 1685 S CB 2.015 65.175 63.200 -0.067 0.000 1.062 1685 S HN 0.051 nan 8.310 nan 0.000 0.483 1686 P HA 0.152 nan 4.420 nan 0.000 0.260 1686 P C -1.094 176.232 177.300 0.043 0.000 1.185 1686 P CA 0.143 63.251 63.100 0.012 0.000 0.763 1686 P CB 0.349 32.022 31.700 -0.045 0.000 0.776 1687 V N 3.857 123.831 119.914 0.100 0.000 2.709 1687 V HA 0.286 4.266 4.120 -0.233 0.000 0.308 1687 V C -0.632 175.554 176.094 0.153 0.000 1.062 1687 V CA -0.811 61.563 62.300 0.123 0.000 0.901 1687 V CB 2.249 34.171 31.823 0.165 0.000 1.003 1687 V HN 0.255 nan 8.190 nan 0.000 0.425 1688 E N 5.567 125.832 120.200 0.107 0.000 2.259 1688 E HA 0.491 4.701 4.350 -0.233 0.000 0.281 1688 E C -0.841 175.821 176.600 0.103 0.000 1.037 1688 E CA 0.203 56.670 56.400 0.112 0.000 0.854 1688 E CB 1.292 31.032 29.700 0.067 0.000 1.051 1688 E HN 0.580 nan 8.360 nan 0.000 0.409 1689 I N 1.680 122.349 120.570 0.165 0.000 2.499 1689 I HA 0.136 4.166 4.170 -0.233 0.000 0.288 1689 I C 0.141 176.334 176.117 0.127 0.000 1.048 1689 I CA -0.544 60.773 61.300 0.027 0.000 1.062 1689 I CB 2.080 39.876 38.000 -0.341 0.000 1.238 1689 I HN 0.189 nan 8.210 nan 0.000 0.426 1690 S N 3.564 119.315 115.700 0.086 0.000 2.585 1690 S HA 0.829 5.159 4.470 -0.233 0.000 0.277 1690 S C -0.380 174.297 174.600 0.129 0.000 1.241 1690 S CA -0.229 58.034 58.200 0.105 0.000 1.041 1690 S CB 0.788 64.036 63.200 0.080 0.000 0.987 1690 S HN 0.785 nan 8.310 nan 0.000 0.512 1696 G N 0.492 109.349 108.800 0.094 0.000 2.511 1696 G HA2 0.662 4.482 3.960 -0.233 0.000 0.318 1696 G HA3 0.662 4.482 3.960 -0.233 0.000 0.318 1696 G C -1.042 173.827 174.900 -0.052 0.000 1.210 1696 G CA -0.602 44.453 45.100 -0.076 0.000 0.969 1696 G HN 0.578 nan 8.290 nan 0.000 0.484 1697 T N 1.191 115.644 114.554 -0.168 0.000 2.733 1697 T HA 0.435 4.645 4.350 -0.233 0.000 0.294 1697 T C -0.975 173.681 174.700 -0.074 0.000 0.956 1697 T CA 0.256 62.326 62.100 -0.050 0.000 0.987 1697 T CB 0.196 69.021 68.868 -0.072 0.000 0.920 1697 T HN 0.316 nan 8.240 nan 0.000 0.470 1698 Y N 1.894 122.226 120.300 0.054 0.000 2.528 1698 Y HA 0.714 5.125 4.550 -0.233 0.000 0.335 1698 Y C -0.042 175.679 175.900 -0.298 0.000 1.093 1698 Y CA -1.348 56.675 58.100 -0.129 0.000 1.134 1698 Y CB 1.622 39.903 38.460 -0.299 0.000 1.253 1698 Y HN 0.483 nan 8.280 nan 0.000 0.478 1699 L N 2.536 123.423 121.223 -0.559 0.000 2.436 1699 L HA 0.637 4.838 4.340 -0.233 0.000 0.268 1699 L C -2.082 174.398 176.870 -0.650 0.000 0.974 1699 L CA -0.484 54.013 54.840 -0.573 0.000 0.826 1699 L CB 1.143 42.768 42.059 -0.724 0.000 1.291 1699 L HN 0.517 nan 8.230 nan 0.000 0.406 1700 F N 4.939 124.821 119.950 -0.113 0.000 2.477 1700 F HA 0.499 4.887 4.527 -0.233 0.000 0.335 1700 F C 0.028 175.741 175.800 -0.145 0.000 1.130 1700 F CA -0.612 57.342 58.000 -0.077 0.000 0.948 1700 F CB 1.521 40.512 39.000 -0.015 0.000 1.154 1700 F HN 0.235 nan 8.300 nan 0.000 0.439 1701 L N 2.350 123.560 121.223 -0.022 0.000 2.474 1701 L HA 0.176 4.376 4.340 -0.233 0.000 0.259 1701 L C 1.223 178.063 176.870 -0.051 0.000 1.232 1701 L CA -0.137 54.623 54.840 -0.133 0.000 0.821 1701 L CB 0.209 42.128 42.059 -0.234 0.000 1.108 1701 L HN 0.643 nan 8.230 nan 0.000 0.495 1702 N N 0.683 119.333 118.700 -0.083 0.000 2.585 1702 N HA -0.158 4.442 4.740 -0.233 0.000 0.188 1702 N C 0.659 176.190 175.510 0.034 0.000 1.102 1702 N CA 0.685 53.718 53.050 -0.029 0.000 0.920 1702 N CB -0.160 38.301 38.487 -0.044 0.000 0.963 1702 N HN 0.607 nan 8.380 nan 0.000 0.447 1703 N N -0.432 118.295 118.700 0.044 0.000 2.230 1703 N HA 0.114 4.714 4.740 -0.233 0.000 0.202 1703 N C 1.031 176.692 175.510 0.251 0.000 1.119 1703 N CA 0.515 53.639 53.050 0.123 0.000 0.851 1703 N CB 0.353 38.880 38.487 0.066 0.000 0.990 1703 N HN 0.120 nan 8.380 nan 0.000 0.497 1704 G N -0.099 108.814 108.800 0.188 0.000 2.199 1704 G HA2 -0.314 3.506 3.960 -0.233 0.000 0.254 1704 G HA3 -0.314 3.506 3.960 -0.233 0.000 0.254 1704 G C 0.226 175.256 174.900 0.217 0.000 0.982 1704 G CA 0.583 45.837 45.100 0.256 0.000 0.632 1704 G HN 0.850 nan 8.290 nan 0.000 0.529 1705 T N -0.643 113.930 114.554 0.032 0.000 2.870 1705 T HA 0.535 4.746 4.350 -0.233 0.000 0.300 1705 T C 0.617 175.346 174.700 0.048 0.000 0.989 1705 T CA 0.747 62.717 62.100 -0.217 0.000 1.139 1705 T CB 1.653 70.403 68.868 -0.195 0.000 0.920 1705 T HN 1.232 nan 8.240 nan 0.000 0.537 1706 S N 3.759 119.528 115.700 0.115 0.000 2.506 1706 S HA 0.176 4.506 4.470 -0.233 0.000 0.291 1706 S C -0.247 174.318 174.600 -0.058 0.000 1.230 1706 S CA -0.889 57.341 58.200 0.051 0.000 1.107 1706 S CB -1.051 62.292 63.200 0.240 0.000 0.942 1706 S HN 0.594 nan 8.310 nan 0.000 0.502 1707 F N 6.616 126.372 119.950 -0.323 0.000 2.429 1707 F HA 0.549 4.936 4.527 -0.233 0.000 0.348 1707 F C 0.410 176.043 175.800 -0.279 0.000 1.109 1707 F CA -0.171 57.646 58.000 -0.305 0.000 1.232 1707 F CB 0.538 39.283 39.000 -0.425 0.000 1.157 1707 F HN 0.732 nan 8.300 nan 0.000 0.564 1708 R N 3.549 123.466 120.500 -0.972 0.000 2.736 1708 R HA 0.234 4.435 4.340 -0.233 0.000 0.250 1708 R C -1.109 174.871 176.300 -0.534 0.000 1.098 1708 R CA -0.058 55.719 56.100 -0.539 0.000 0.978 1708 R CB 1.036 31.193 30.300 -0.238 0.000 1.263 1708 R HN 0.703 nan 8.270 nan 0.000 0.460 1709 S N 0.189 115.644 115.700 -0.407 0.000 3.797 1709 S HA -0.118 4.213 4.470 -0.233 0.000 0.374 1709 S C -0.183 174.295 174.600 -0.203 0.000 0.970 1709 S CA 1.091 59.148 58.200 -0.239 0.000 1.177 1709 S CB -1.335 61.829 63.200 -0.060 0.000 0.891 1709 S HN 1.122 nan 8.310 nan 0.000 0.491 1710 G N -0.535 108.047 108.800 -0.365 0.000 2.559 1710 G HA2 0.564 4.384 3.960 -0.233 0.000 0.291 1710 G HA3 0.564 4.384 3.960 -0.233 0.000 0.291 1710 G C -1.318 173.791 174.900 0.350 0.000 1.424 1710 G CA -1.054 44.074 45.100 0.047 0.000 0.786 1710 G HN 0.318 nan 8.290 nan 0.000 0.485 1711 L N 0.099 121.652 121.223 0.550 0.000 2.325 1711 L HA 0.631 4.831 4.340 -0.233 0.000 0.279 1711 L C -0.214 177.049 176.870 0.655 0.000 1.054 1711 L CA -1.072 54.079 54.840 0.517 0.000 0.804 1711 L CB 1.862 44.047 42.059 0.211 0.000 1.200 1711 L HN 0.210 nan 8.230 nan 0.000 0.436 1712 V N 2.864 123.060 119.914 0.470 0.000 2.350 1712 V HA 0.241 4.222 4.120 -0.233 0.000 0.285 1712 V C -0.005 176.281 176.094 0.320 0.000 1.014 1712 V CA -0.715 61.749 62.300 0.275 0.000 0.831 1712 V CB 1.313 33.281 31.823 0.242 0.000 1.000 1712 V HN 0.611 nan 8.190 nan 0.000 0.433 1713 K N 4.145 124.683 120.400 0.229 0.000 2.268 1713 K HA 0.460 4.640 4.320 -0.233 0.000 0.276 1713 K C 0.339 176.998 176.600 0.098 0.000 1.080 1713 K CA -0.250 56.156 56.287 0.198 0.000 0.910 1713 K CB 0.739 33.419 32.500 0.300 0.000 1.163 1713 K HN 0.858 nan 8.250 nan 0.000 0.465 1714 T N 0.026 114.677 114.554 0.162 0.000 2.936 1714 T HA 0.195 4.405 4.350 -0.233 0.000 0.282 1714 T C 0.755 175.481 174.700 0.043 0.000 1.003 1714 T CA -0.767 61.400 62.100 0.111 0.000 1.005 1714 T CB 1.123 70.177 68.868 0.311 0.000 1.097 1714 T HN 0.401 nan 8.240 nan 0.000 0.532 1715 D N 0.738 121.135 120.400 -0.006 0.000 2.221 1715 D HA -0.009 4.491 4.640 -0.233 0.000 0.204 1715 D C 1.794 178.118 176.300 0.040 0.000 0.982 1715 D CA 1.376 55.377 54.000 0.001 0.000 0.857 1715 D CB -0.372 40.417 40.800 -0.019 0.000 0.934 1715 D HN 0.751 nan 8.370 nan 0.000 0.475 1716 A N -0.210 122.662 122.820 0.087 0.000 2.345 1716 A HA 0.547 4.727 4.320 -0.233 0.000 0.225 1716 A C 0.979 178.603 177.584 0.067 0.000 1.243 1716 A CA 0.706 52.800 52.037 0.094 0.000 0.875 1716 A CB 0.195 19.276 19.000 0.134 0.000 0.929 1716 A HN 0.263 nan 8.150 nan 0.000 0.502 1717 G N -1.962 106.849 108.800 0.018 0.000 2.340 1717 G HA2 0.309 4.129 3.960 -0.233 0.000 0.527 1717 G HA3 0.309 4.129 3.960 -0.233 0.000 0.527 1717 G C -0.717 174.028 174.900 -0.259 0.000 1.381 1717 G CA -0.380 44.632 45.100 -0.145 0.000 1.001 1717 G HN 0.382 nan 8.290 nan 0.000 0.626 1718 T N 0.667 115.012 114.554 -0.348 0.000 2.829 1718 T HA 0.700 4.910 4.350 -0.233 0.000 0.282 1718 T C -0.936 173.455 174.700 -0.515 0.000 0.990 1718 T CA -0.015 61.943 62.100 -0.238 0.000 1.028 1718 T CB 1.105 69.943 68.868 -0.051 0.000 0.951 1718 T HN 0.458 nan 8.240 nan 0.000 0.460 1719 Y N 0.668 121.026 120.300 0.096 0.000 2.524 1719 Y HA 0.558 4.968 4.550 -0.233 0.000 0.344 1719 Y C -0.636 175.324 175.900 0.100 0.000 1.012 1719 Y CA -1.395 56.730 58.100 0.042 0.000 1.068 1719 Y CB 1.450 39.895 38.460 -0.025 0.000 1.249 1719 Y HN 0.661 nan 8.280 nan 0.000 0.468 1720 Y N 2.046 122.355 120.300 0.016 0.000 2.341 1720 Y HA 0.512 4.923 4.550 -0.233 0.000 0.338 1720 Y C -1.694 174.154 175.900 -0.087 0.000 0.965 1720 Y CA -1.530 56.569 58.100 -0.003 0.000 1.108 1720 Y CB 0.618 39.022 38.460 -0.094 0.000 1.180 1720 Y HN 0.565 nan 8.280 nan 0.000 0.458 1721 Y N 5.087 125.106 120.300 -0.469 0.000 2.320 1721 Y HA 0.232 4.642 4.550 -0.233 0.000 0.334 1721 Y C 0.381 175.782 175.900 -0.831 0.000 1.055 1721 Y CA -0.736 57.091 58.100 -0.456 0.000 1.143 1721 Y CB 0.795 39.144 38.460 -0.185 0.000 1.193 1721 Y HN 0.720 nan 8.280 nan 0.000 0.477 1722 D N 0.600 120.787 120.400 -0.354 0.000 2.414 1722 D HA 0.107 4.607 4.640 -0.233 0.000 0.259 1722 D C 1.550 177.751 176.300 -0.166 0.000 1.269 1722 D CA -0.247 53.628 54.000 -0.208 0.000 1.028 1722 D CB 0.184 40.979 40.800 -0.009 0.000 1.093 1722 D HN 0.630 nan 8.370 nan 0.000 0.545 1723 G N -1.340 107.424 108.800 -0.061 0.000 2.498 1723 G HA2 -0.192 3.629 3.960 -0.233 0.000 0.219 1723 G HA3 -0.192 3.629 3.960 -0.233 0.000 0.219 1723 G C 0.706 175.557 174.900 -0.081 0.000 1.119 1723 G CA 0.488 45.559 45.100 -0.049 0.000 0.766 1723 G HN 0.535 nan 8.290 nan 0.000 0.552 1724 D N -0.147 120.181 120.400 -0.121 0.000 2.363 1724 D HA 0.202 4.703 4.640 -0.233 0.000 0.214 1724 D C 1.842 178.035 176.300 -0.178 0.000 1.093 1724 D CA 0.658 54.551 54.000 -0.178 0.000 0.837 1724 D CB 0.370 41.056 40.800 -0.190 0.000 0.948 1724 D HN 0.339 nan 8.370 nan 0.000 0.507 1725 G N 1.852 110.556 108.800 -0.161 0.000 2.159 1725 G HA2 -0.312 3.508 3.960 -0.233 0.000 0.256 1725 G HA3 -0.312 3.508 3.960 -0.233 0.000 0.256 1725 G C 0.300 175.030 174.900 -0.284 0.000 0.977 1725 G CA -0.284 44.736 45.100 -0.134 0.000 0.652 1725 G HN 0.284 nan 8.290 nan 0.000 0.531 1726 R N -0.171 120.106 120.500 -0.372 0.000 2.368 1726 R HA 0.633 4.833 4.340 -0.233 0.000 0.302 1726 R C 0.768 176.896 176.300 -0.287 0.000 1.002 1726 R CA -0.750 55.057 56.100 -0.488 0.000 0.929 1726 R CB 1.218 31.229 30.300 -0.482 0.000 1.073 1726 R HN 0.357 nan 8.270 nan 0.000 0.464 1727 M N 2.974 122.344 119.600 -0.384 0.000 2.248 1727 M HA 0.074 4.414 4.480 -0.233 0.000 0.345 1727 M C -0.728 175.413 176.300 -0.265 0.000 1.243 1727 M CA 0.044 54.997 55.300 -0.578 0.000 1.090 1727 M CB 0.664 32.898 32.600 -0.610 0.000 1.683 1727 M HN 0.308 nan 8.290 nan 0.000 0.450 1728 V N 6.164 125.989 119.914 -0.147 0.000 2.567 1728 V HA 0.513 4.493 4.120 -0.233 0.000 0.289 1728 V C -0.072 176.021 176.094 -0.002 0.000 1.049 1728 V CA -0.447 61.848 62.300 -0.008 0.000 0.969 1728 V CB 1.444 33.360 31.823 0.155 0.000 0.995 1728 V HN 0.882 nan 8.190 nan 0.000 0.471 1729 R N 2.786 123.285 120.500 -0.001 0.000 2.673 1729 R HA 0.435 4.635 4.340 -0.233 0.000 0.281 1729 R C -0.134 176.171 176.300 0.009 0.000 0.991 1729 R CA -0.895 55.211 56.100 0.009 0.000 0.896 1729 R CB 1.141 31.440 30.300 -0.001 0.000 1.201 1729 R HN 0.759 nan 8.270 nan 0.000 0.457 1730 N N 1.759 120.466 118.700 0.012 0.000 2.758 1730 N HA -0.203 4.397 4.740 -0.233 0.000 0.248 1730 N C -1.523 173.988 175.510 0.003 0.000 1.076 1730 N CA 1.607 54.660 53.050 0.006 0.000 0.696 1730 N CB -0.422 38.068 38.487 0.004 0.000 0.979 1730 N HN 0.742 nan 8.380 nan 0.000 0.550 1731 Q N -3.032 116.771 119.800 0.004 0.000 2.756 1731 Q HA 0.437 4.637 4.340 -0.233 0.000 0.295 1731 Q C -1.424 174.572 176.000 -0.007 0.000 0.903 1731 Q CA -1.018 54.784 55.803 -0.001 0.000 0.768 1731 Q CB 0.507 29.245 28.738 0.001 0.000 1.472 1731 Q HN 0.056 nan 8.270 nan 0.000 0.416 1732 T N 1.390 115.934 114.554 -0.017 0.000 2.799 1732 T HA 0.586 4.796 4.350 -0.233 0.000 0.286 1732 T C -0.026 174.649 174.700 -0.042 0.000 0.973 1732 T CA -0.435 61.646 62.100 -0.032 0.000 1.035 1732 T CB 1.054 69.900 68.868 -0.037 0.000 0.932 1732 T HN 0.507 nan 8.240 nan 0.000 0.469 1733 V N 0.493 120.364 119.914 -0.072 0.000 3.074 1733 V HA 0.918 4.898 4.120 -0.233 0.000 0.314 1733 V C -0.394 175.605 176.094 -0.158 0.000 1.117 1733 V CA -0.957 61.288 62.300 -0.092 0.000 1.014 1733 V CB 2.294 34.072 31.823 -0.075 0.000 1.057 1733 V HN 0.759 nan 8.190 nan 0.000 0.438 1734 S N 1.266 116.891 115.700 -0.125 0.000 2.594 1734 S HA 0.549 4.879 4.470 -0.233 0.000 0.296 1734 S C -1.292 173.254 174.600 -0.090 0.000 1.124 1734 S CA -0.330 57.775 58.200 -0.160 0.000 1.011 1734 S CB 1.290 64.418 63.200 -0.119 0.000 1.016 1734 S HN 1.000 nan 8.310 nan 0.000 0.485 1735 D N 2.206 122.536 120.400 -0.117 0.000 2.461 1735 D HA 0.557 5.057 4.640 -0.233 0.000 0.240 1735 D C 1.015 177.303 176.300 -0.019 0.000 1.094 1735 D CA 0.757 54.775 54.000 0.029 0.000 0.868 1735 D CB 0.547 41.483 40.800 0.227 0.000 1.062 1735 D HN 0.698 nan 8.370 nan 0.000 0.530 1736 G N 3.508 112.302 108.800 -0.009 0.000 2.596 1736 G HA2 -0.354 3.466 3.960 -0.233 0.000 0.304 1736 G HA3 -0.354 3.466 3.960 -0.233 0.000 0.304 1736 G C 1.165 176.027 174.900 -0.063 0.000 1.189 1736 G CA 0.982 46.070 45.100 -0.020 0.000 0.986 1736 G HN 0.967 nan 8.290 nan 0.000 0.548 1737 A N -0.941 121.838 122.820 -0.069 0.000 2.016 1737 A HA 0.474 4.655 4.320 -0.233 0.000 0.217 1737 A C 1.513 178.999 177.584 -0.163 0.000 1.162 1737 A CA 1.798 53.780 52.037 -0.092 0.000 0.662 1737 A CB -0.159 18.801 19.000 -0.066 0.000 0.812 1737 A HN 0.554 nan 8.150 nan 0.000 0.450 1738 M N 1.113 120.572 119.600 -0.235 0.000 2.185 1738 M HA 0.274 4.614 4.480 -0.233 0.000 0.357 1738 M C -0.560 175.358 176.300 -0.638 0.000 1.260 1738 M CA 0.421 55.439 55.300 -0.470 0.000 1.124 1738 M CB 0.333 32.570 32.600 -0.605 0.000 1.600 1738 M HN 0.019 nan 8.290 nan 0.000 0.467 1739 T N 4.455 118.651 114.554 -0.597 0.000 2.779 1739 T HA 0.568 4.778 4.350 -0.233 0.000 0.280 1739 T C -1.165 173.234 174.700 -0.502 0.000 0.987 1739 T CA -0.249 61.564 62.100 -0.478 0.000 0.966 1739 T CB 0.476 69.199 68.868 -0.242 0.000 0.933 1739 T HN 0.268 nan 8.240 nan 0.000 0.442 1740 Y N 1.844 122.022 120.300 -0.204 0.000 2.326 1740 Y HA 0.489 4.899 4.550 -0.233 0.000 0.331 1740 Y C -0.128 175.673 175.900 -0.165 0.000 0.962 1740 Y CA -1.274 56.698 58.100 -0.214 0.000 1.167 1740 Y CB 1.089 39.324 38.460 -0.375 0.000 1.148 1740 Y HN 0.286 nan 8.280 nan 0.000 0.463 1741 V N 5.987 125.928 119.914 0.045 0.000 2.383 1741 V HA 0.414 4.394 4.120 -0.233 0.000 0.275 1741 V C -0.182 175.917 176.094 0.009 0.000 1.036 1741 V CA -0.664 61.640 62.300 0.008 0.000 0.889 1741 V CB 0.856 32.675 31.823 -0.006 0.000 0.985 1741 V HN 0.559 nan 8.190 nan 0.000 0.459 1742 L N 4.940 126.166 121.223 0.005 0.000 2.341 1742 L HA 0.583 4.784 4.340 -0.233 0.000 0.278 1742 L C 0.026 176.899 176.870 0.005 0.000 1.005 1742 L CA -0.818 54.025 54.840 0.005 0.000 0.818 1742 L CB 1.886 43.960 42.059 0.026 0.000 1.259 1742 L HN 0.713 nan 8.230 nan 0.000 0.418 1743 D N 0.797 121.197 120.400 0.001 0.000 2.440 1743 D HA 0.038 4.539 4.640 -0.233 0.000 0.269 1743 D C 0.704 177.016 176.300 0.020 0.000 1.249 1743 D CA -0.390 53.614 54.000 0.007 0.000 1.055 1743 D CB 0.547 41.348 40.800 0.003 0.000 1.104 1743 D HN 0.560 nan 8.370 nan 0.000 0.561 1744 E N -0.809 119.403 120.200 0.020 0.000 2.268 1744 E HA -0.122 4.088 4.350 -0.233 0.000 0.195 1744 E C 0.706 177.327 176.600 0.036 0.000 0.995 1744 E CA 0.571 56.984 56.400 0.022 0.000 0.836 1744 E CB -0.338 29.372 29.700 0.017 0.000 0.763 1744 E HN 0.388 nan 8.360 nan 0.000 0.491 1745 N N 0.048 118.783 118.700 0.057 0.000 2.336 1745 N HA 0.022 4.622 4.740 -0.233 0.000 0.189 1745 N C 1.156 176.774 175.510 0.181 0.000 1.113 1745 N CA 0.844 53.954 53.050 0.099 0.000 0.858 1745 N CB 1.271 39.828 38.487 0.116 0.000 0.970 1745 N HN 0.361 nan 8.380 nan 0.000 0.471 1746 G N 0.866 109.749 108.800 0.137 0.000 2.199 1746 G HA2 -0.295 3.525 3.960 -0.233 0.000 0.254 1746 G HA3 -0.295 3.525 3.960 -0.233 0.000 0.254 1746 G C 0.130 175.107 174.900 0.128 0.000 0.982 1746 G CA -0.092 45.128 45.100 0.201 0.000 0.632 1746 G HN 0.310 nan 8.290 nan 0.000 0.529 1747 K N 0.065 120.449 120.400 -0.025 0.000 2.382 1747 K HA 0.438 4.618 4.320 -0.233 0.000 0.275 1747 K C 0.292 176.792 176.600 -0.166 0.000 1.009 1747 K CA -0.574 55.538 56.287 -0.292 0.000 0.970 1747 K CB 1.158 33.540 32.500 -0.197 0.000 0.934 1747 K HN 0.194 nan 8.250 nan 0.000 0.479 1748 L N 4.409 125.513 121.223 -0.199 0.000 2.361 1748 L HA -0.015 4.185 4.340 -0.233 0.000 0.278 1748 L C 0.671 177.504 176.870 -0.062 0.000 1.113 1748 L CA 0.239 55.021 54.840 -0.097 0.000 0.849 1748 L CB 0.952 42.955 42.059 -0.094 0.000 1.155 1748 L HN 0.529 nan 8.230 nan 0.000 0.452 1749 V N 2.823 122.719 119.914 -0.031 0.000 2.331 1749 V HA 0.104 4.085 4.120 -0.233 0.000 0.242 1749 V C 0.914 177.003 176.094 -0.007 0.000 1.034 1749 V CA 1.365 63.654 62.300 -0.019 0.000 1.027 1749 V CB -0.226 31.588 31.823 -0.014 0.000 0.667 1749 V HN 0.924 nan 8.190 nan 0.000 0.457 1750 S N -0.487 115.216 115.700 0.005 0.000 2.671 1750 S HA 0.779 5.109 4.470 -0.233 0.000 0.277 1750 S C -0.942 173.681 174.600 0.040 0.000 1.165 1750 S CA -0.614 57.593 58.200 0.012 0.000 0.822 1750 S CB 2.937 66.136 63.200 -0.002 0.000 1.150 1750 S HN 0.654 nan 8.310 nan 0.000 0.479 1751 E N 0.000 120.218 120.200 0.031 0.000 2.725 1751 E HA 0.000 4.210 4.350 -0.233 0.000 0.291 1751 E CA 0.000 56.422 56.400 0.037 0.000 0.976 1751 E CB 0.000 29.803 29.700 0.172 0.000 0.812 1751 E HN 0.000 nan 8.360 nan 0.000 0.440