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 3klk_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 EANFDGIRVD 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 PVEISSNGAS 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 0.000 175.849 176.000 -0.252 0.000 1.003 746 Q CA 0.000 55.740 55.803 -0.105 0.000 1.022 746 Q CB 0.000 28.675 28.738 -0.105 0.000 1.108 747 Y N -0.435 120.069 120.300 0.340 0.000 2.545 747 Y HA 0.525 5.075 4.550 -0.000 0.000 0.348 747 Y C -1.156 174.816 175.900 0.121 0.000 1.002 747 Y CA -0.979 57.298 58.100 0.296 0.000 1.039 747 Y CB 1.614 40.158 38.460 0.141 0.000 1.271 747 Y HN 0.062 nan 8.280 nan 0.000 0.467 748 Y N 4.577 124.746 120.300 -0.218 0.000 2.478 748 Y HA 0.565 5.115 4.550 0.000 0.000 0.329 748 Y C -0.800 174.992 175.900 -0.181 0.000 0.967 748 Y CA -1.299 56.565 58.100 -0.394 0.000 1.255 748 Y CB 0.324 38.210 38.460 -0.956 0.000 1.103 748 Y HN 0.519 nan 8.280 nan 0.000 0.497 749 I N 2.361 122.798 120.570 -0.223 0.000 2.607 749 I HA 0.459 4.629 4.170 -0.000 0.000 0.305 749 I C -0.686 175.304 176.117 -0.211 0.000 0.995 749 I CA -0.636 60.585 61.300 -0.133 0.000 1.148 749 I CB 1.505 39.460 38.000 -0.075 0.000 1.323 749 I HN 0.439 nan 8.210 nan 0.000 0.461 750 D N 6.895 127.234 120.400 -0.103 0.000 2.365 750 D HA 0.310 4.950 4.640 -0.000 0.000 0.237 750 D C -1.760 174.493 176.300 -0.079 0.000 1.190 750 D CA -2.359 51.588 54.000 -0.088 0.000 0.867 750 D CB 1.395 42.173 40.800 -0.037 0.000 1.050 750 D HN 0.409 nan 8.370 nan 0.000 0.491 751 P HA -0.094 nan 4.420 nan 0.000 0.228 751 P C 0.866 178.137 177.300 -0.049 0.000 1.151 751 P CA 0.891 63.949 63.100 -0.071 0.000 0.770 751 P CB -0.049 31.607 31.700 -0.073 0.000 0.786 752 T N -4.590 109.938 114.554 -0.043 0.000 3.163 752 T HA 0.151 4.501 4.350 -0.000 0.000 0.252 752 T C 0.950 175.632 174.700 -0.030 0.000 1.056 752 T CA 0.831 62.911 62.100 -0.032 0.000 0.947 752 T CB -0.843 68.009 68.868 -0.027 0.000 1.016 752 T HN 0.228 nan 8.240 nan 0.000 0.554 753 T N -4.394 110.140 114.554 -0.033 0.000 3.416 753 T HA 0.403 4.753 4.350 -0.000 0.000 0.298 753 T C 1.818 176.499 174.700 -0.031 0.000 0.874 753 T CA 0.506 62.588 62.100 -0.030 0.000 0.901 753 T CB -0.514 68.338 68.868 -0.027 0.000 1.215 753 T HN 0.754 nan 8.240 nan 0.000 0.677 754 G N 2.201 110.979 108.800 -0.037 0.000 2.230 754 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.270 754 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.270 754 G C 0.112 174.991 174.900 -0.034 0.000 0.987 754 G CA 0.785 45.862 45.100 -0.038 0.000 0.664 754 G HN 0.726 nan 8.290 nan 0.000 0.539 755 Q N 0.858 120.641 119.800 -0.028 0.000 2.296 755 Q HA 0.333 4.673 4.340 -0.000 0.000 0.262 755 Q C -2.176 173.819 176.000 -0.009 0.000 0.981 755 Q CA -1.582 54.211 55.803 -0.017 0.000 0.905 755 Q CB 1.374 30.103 28.738 -0.014 0.000 1.186 755 Q HN 0.359 nan 8.270 nan 0.000 0.399 756 P HA 0.217 nan 4.420 nan 0.000 0.285 756 P C -0.478 176.848 177.300 0.044 0.000 1.259 756 P CA -0.346 62.778 63.100 0.041 0.000 0.794 756 P CB 0.981 32.721 31.700 0.067 0.000 0.940 757 R N 2.857 123.376 120.500 0.031 0.000 2.298 757 R HA 0.274 4.614 4.340 -0.000 0.000 0.310 757 R C 0.465 176.823 176.300 0.098 0.000 1.068 757 R CA -0.172 55.908 56.100 -0.032 0.000 0.957 757 R CB 0.754 30.826 30.300 -0.381 0.000 1.003 757 R HN 0.433 nan 8.270 nan 0.000 0.454 758 K N 1.846 122.327 120.400 0.134 0.000 2.208 758 K HA 0.148 4.468 4.320 -0.000 0.000 0.247 758 K C -0.118 176.613 176.600 0.218 0.000 0.953 758 K CA -1.058 55.333 56.287 0.175 0.000 0.837 758 K CB 1.250 33.834 32.500 0.139 0.000 1.131 758 K HN 0.464 nan 8.250 nan 0.000 0.431 759 N N 1.490 120.297 118.700 0.178 0.000 2.671 759 N HA -0.236 4.504 4.740 -0.000 0.000 0.261 759 N C -1.793 174.053 175.510 0.560 0.000 1.053 759 N CA 0.421 53.650 53.050 0.299 0.000 0.732 759 N CB -0.903 37.720 38.487 0.227 0.000 0.887 759 N HN 0.517 nan 8.380 nan 0.000 0.546 760 F N 1.396 121.508 119.950 0.271 0.000 2.557 760 F HA 0.619 5.146 4.527 -0.000 0.000 0.316 760 F C -1.432 174.571 175.800 0.338 0.000 1.141 760 F CA -1.543 56.644 58.000 0.311 0.000 0.922 760 F CB 0.969 40.019 39.000 0.083 0.000 1.194 760 F HN 0.078 nan 8.300 nan 0.000 0.443 761 L N 7.690 128.819 121.223 -0.158 0.000 2.287 761 L HA 0.700 5.040 4.340 -0.000 0.000 0.287 761 L C -1.909 174.651 176.870 -0.517 0.000 1.022 761 L CA -0.659 54.034 54.840 -0.245 0.000 0.814 761 L CB 1.265 43.139 42.059 -0.309 0.000 1.217 761 L HN 0.671 nan 8.230 nan 0.000 0.420 762 L N 4.570 125.562 121.223 -0.385 0.000 2.349 762 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 762 L C -0.570 176.139 176.870 -0.269 0.000 0.996 762 L CA -0.129 54.458 54.840 -0.421 0.000 0.825 762 L CB 1.701 43.516 42.059 -0.408 0.000 1.243 762 L HN 0.783 nan 8.230 nan 0.000 0.412 763 Q N 3.587 123.055 119.800 -0.553 0.000 2.288 763 Q HA 0.285 4.625 4.340 -0.000 0.000 0.258 763 Q C -1.018 174.650 176.000 -0.553 0.000 0.957 763 Q CA -0.078 55.033 55.803 -1.153 0.000 0.919 763 Q CB 0.729 28.560 28.738 -1.512 0.000 1.185 763 Q HN 0.705 nan 8.270 nan 0.000 0.408 764 N N 3.335 121.741 118.700 -0.491 0.000 2.617 764 N HA 0.334 5.074 4.740 -0.000 0.000 0.263 764 N C -0.113 175.266 175.510 -0.218 0.000 1.074 764 N CA 0.846 53.756 53.050 -0.232 0.000 0.841 764 N CB 0.973 39.401 38.487 -0.098 0.000 1.221 764 N HN 0.907 nan 8.380 nan 0.000 0.529 765 G N 3.348 112.035 108.800 -0.188 0.000 2.591 765 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.298 765 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.298 765 G C 0.671 175.467 174.900 -0.173 0.000 1.195 765 G CA 0.367 45.386 45.100 -0.134 0.000 0.989 765 G HN 0.574 nan 8.290 nan 0.000 0.551 766 N N 2.367 121.012 118.700 -0.092 0.000 2.467 766 N HA 0.114 4.854 4.740 -0.000 0.000 0.184 766 N C 0.043 175.532 175.510 -0.035 0.000 1.106 766 N CA 0.920 53.950 53.050 -0.032 0.000 0.892 766 N CB -0.048 38.454 38.487 0.026 0.000 0.969 766 N HN 0.513 nan 8.380 nan 0.000 0.454 767 D N -0.328 119.997 120.400 -0.125 0.000 2.264 767 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 767 D C -0.265 175.873 176.300 -0.269 0.000 1.070 767 D CA 0.038 53.990 54.000 -0.079 0.000 0.912 767 D CB 0.793 41.558 40.800 -0.058 0.000 1.193 767 D HN -0.012 nan 8.370 nan 0.000 0.427 768 W N 1.122 122.395 121.300 -0.044 0.000 2.656 768 W HA 0.515 5.175 4.660 0.000 0.000 0.327 768 W C -0.292 176.165 176.519 -0.104 0.000 1.041 768 W CA -0.620 56.682 57.345 -0.072 0.000 1.229 768 W CB 1.015 30.428 29.460 -0.078 0.000 1.397 768 W HN 0.043 nan 8.180 nan 0.000 0.479 769 I N 3.316 123.910 120.570 0.041 0.000 2.465 769 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 769 I C -1.174 174.809 176.117 -0.224 0.000 1.014 769 I CA -1.354 59.839 61.300 -0.179 0.000 1.093 769 I CB 1.529 39.315 38.000 -0.356 0.000 1.267 769 I HN 0.283 nan 8.210 nan 0.000 0.431 770 Y N 6.858 126.946 120.300 -0.354 0.000 2.331 770 Y HA 0.550 5.100 4.550 -0.000 0.000 0.338 770 Y C -1.363 174.345 175.900 -0.321 0.000 0.976 770 Y CA -1.117 56.850 58.100 -0.221 0.000 1.137 770 Y CB 0.851 39.260 38.460 -0.085 0.000 1.172 770 Y HN 0.307 nan 8.280 nan 0.000 0.478 771 F N 5.835 125.401 119.950 -0.640 0.000 2.404 771 F HA 0.240 4.767 4.527 -0.000 0.000 0.354 771 F C 0.377 175.737 175.800 -0.732 0.000 1.122 771 F CA -0.929 56.809 58.000 -0.436 0.000 1.080 771 F CB 0.582 39.553 39.000 -0.049 0.000 1.131 771 F HN 0.572 nan 8.300 nan 0.000 0.471 772 D N 2.194 122.407 120.400 -0.312 0.000 2.398 772 D HA 0.085 4.725 4.640 -0.000 0.000 0.247 772 D C 0.779 177.103 176.300 0.040 0.000 1.227 772 D CA -0.367 53.532 54.000 -0.168 0.000 0.980 772 D CB 0.849 41.702 40.800 0.087 0.000 1.106 772 D HN 0.415 nan 8.370 nan 0.000 0.493 773 K N -0.803 119.683 120.400 0.144 0.000 2.103 773 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 773 K C 1.311 177.982 176.600 0.118 0.000 1.052 773 K CA 1.251 57.624 56.287 0.142 0.000 0.945 773 K CB 0.094 32.683 32.500 0.148 0.000 0.722 773 K HN 0.359 nan 8.250 nan 0.000 0.443 774 D N -0.993 119.476 120.400 0.115 0.000 2.120 774 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 774 D C 1.552 177.920 176.300 0.112 0.000 0.972 774 D CA 1.678 55.738 54.000 0.101 0.000 0.837 774 D CB 0.047 40.902 40.800 0.092 0.000 0.989 774 D HN 0.336 nan 8.370 nan 0.000 0.469 775 T N -4.377 110.264 114.554 0.145 0.000 3.058 775 T HA 0.407 4.757 4.350 -0.000 0.000 0.278 775 T C 1.480 176.352 174.700 0.286 0.000 0.974 775 T CA 0.414 62.629 62.100 0.191 0.000 0.893 775 T CB 0.806 69.813 68.868 0.233 0.000 1.138 775 T HN 0.175 nan 8.240 nan 0.000 0.529 776 G N 1.742 110.686 108.800 0.239 0.000 2.168 776 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.257 776 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.257 776 G C 0.371 175.485 174.900 0.357 0.000 0.997 776 G CA -0.001 45.284 45.100 0.309 0.000 0.708 776 G HN 1.320 nan 8.290 nan 0.000 0.520 777 A N 0.045 122.975 122.820 0.182 0.000 2.440 777 A HA 0.661 4.981 4.320 -0.000 0.000 0.251 777 A C 1.117 178.600 177.584 -0.167 0.000 1.089 777 A CA 0.799 52.730 52.037 -0.177 0.000 0.779 777 A CB 0.558 19.506 19.000 -0.087 0.000 1.022 777 A HN 1.727 nan 8.150 nan 0.000 0.492 778 G N 0.420 109.033 108.800 -0.311 0.000 2.420 778 G HA2 0.519 4.479 3.960 -0.000 0.000 0.284 778 G HA3 0.519 4.479 3.960 -0.000 0.000 0.284 778 G C -0.177 174.494 174.900 -0.381 0.000 1.177 778 G CA 0.222 44.939 45.100 -0.640 0.000 0.841 778 G HN 0.921 nan 8.290 nan 0.000 0.527 779 T N 0.003 114.353 114.554 -0.339 0.000 2.883 779 T HA 0.304 4.654 4.350 -0.000 0.000 0.301 779 T C -0.463 174.162 174.700 -0.124 0.000 1.158 779 T CA -0.805 61.202 62.100 -0.156 0.000 1.007 779 T CB 1.433 70.272 68.868 -0.049 0.000 1.186 779 T HN 0.506 nan 8.240 nan 0.000 0.499 780 N N 2.158 120.820 118.700 -0.063 0.000 2.423 780 N HA 0.150 4.890 4.740 -0.000 0.000 0.275 780 N C 1.236 176.754 175.510 0.012 0.000 1.283 780 N CA 0.511 53.548 53.050 -0.022 0.000 0.932 780 N CB 0.940 39.425 38.487 -0.002 0.000 1.185 780 N HN 0.713 nan 8.380 nan 0.000 0.483 781 A N 4.826 127.670 122.820 0.040 0.000 2.024 781 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 781 A C 2.080 179.663 177.584 -0.001 0.000 1.164 781 A CA 0.985 53.047 52.037 0.041 0.000 0.643 781 A CB -0.309 18.737 19.000 0.076 0.000 0.806 781 A HN 0.764 nan 8.150 nan 0.000 0.451 782 L N -1.492 119.747 121.223 0.026 0.000 2.478 782 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 782 L C 1.730 178.603 176.870 0.005 0.000 1.140 782 L CA 0.867 55.709 54.840 0.003 0.000 0.842 782 L CB -0.177 41.906 42.059 0.039 0.000 0.953 782 L HN 0.316 nan 8.230 nan 0.000 0.452 783 K N 0.067 120.474 120.400 0.011 0.000 2.358 783 K HA 0.252 4.572 4.320 -0.000 0.000 0.200 783 K C 0.270 176.879 176.600 0.014 0.000 1.030 783 K CA -0.228 56.067 56.287 0.014 0.000 1.097 783 K CB 0.537 33.046 32.500 0.015 0.000 0.862 783 K HN 0.192 nan 8.250 nan 0.000 0.534 784 L N 2.667 123.893 121.223 0.005 0.000 2.540 784 L HA -0.054 4.286 4.340 -0.000 0.000 0.276 784 L C 0.236 177.120 176.870 0.022 0.000 1.212 784 L CA 0.530 55.371 54.840 0.002 0.000 0.893 784 L CB 0.185 42.222 42.059 -0.036 0.000 1.138 784 L HN 0.085 nan 8.230 nan 0.000 0.491 785 Q N 2.816 122.635 119.800 0.032 0.000 2.375 785 Q HA 0.347 4.687 4.340 -0.000 0.000 0.271 785 Q C -0.768 175.273 176.000 0.068 0.000 1.074 785 Q CA -0.850 54.994 55.803 0.069 0.000 0.808 785 Q CB 2.441 31.219 28.738 0.066 0.000 1.327 785 Q HN 0.365 nan 8.270 nan 0.000 0.441 786 F N 2.364 122.274 119.950 -0.067 0.000 2.572 786 F HA -0.015 4.512 4.527 -0.000 0.000 0.370 786 F C 0.587 176.284 175.800 -0.172 0.000 1.103 786 F CA -0.032 57.851 58.000 -0.195 0.000 1.286 786 F CB 0.544 39.244 39.000 -0.500 0.000 1.105 786 F HN 0.350 nan 8.300 nan 0.000 0.583 787 D N 6.227 126.100 120.400 -0.879 0.000 2.344 787 D HA 0.017 4.657 4.640 -0.000 0.000 0.253 787 D C 0.885 176.753 176.300 -0.720 0.000 1.255 787 D CA 0.175 53.790 54.000 -0.643 0.000 0.894 787 D CB 0.734 41.214 40.800 -0.532 0.000 1.067 787 D HN 0.641 nan 8.370 nan 0.000 0.492 788 K N 2.138 122.404 120.400 -0.223 0.000 2.286 788 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 788 K C 1.529 178.122 176.600 -0.012 0.000 1.045 788 K CA 1.087 57.388 56.287 0.023 0.000 0.935 788 K CB 0.156 32.722 32.500 0.112 0.000 0.737 788 K HN 0.433 nan 8.250 nan 0.000 0.460 789 G N 0.808 109.540 108.800 -0.113 0.000 3.141 789 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.218 789 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.218 789 G C 0.189 175.032 174.900 -0.096 0.000 1.170 789 G CA -0.260 44.804 45.100 -0.060 0.000 0.769 789 G HN 0.079 nan 8.290 nan 0.000 0.546 790 T N 1.736 116.136 114.554 -0.257 0.000 2.934 790 T HA 0.337 4.687 4.350 -0.000 0.000 0.306 790 T C 0.336 175.053 174.700 0.029 0.000 1.042 790 T CA 0.555 62.484 62.100 -0.284 0.000 1.145 790 T CB 0.553 68.934 68.868 -0.812 0.000 0.982 790 T HN 0.387 nan 8.240 nan 0.000 0.544 791 I N -0.339 120.284 120.570 0.088 0.000 2.785 791 I HA 0.719 4.889 4.170 -0.000 0.000 0.302 791 I C 0.283 176.575 176.117 0.292 0.000 1.069 791 I CA -1.201 60.255 61.300 0.259 0.000 1.045 791 I CB 2.232 40.319 38.000 0.146 0.000 1.236 791 I HN 0.570 nan 8.210 nan 0.000 0.429 792 S N 3.305 119.233 115.700 0.381 0.000 2.593 792 S HA 0.462 4.932 4.470 -0.000 0.000 0.269 792 S C 1.275 175.960 174.600 0.142 0.000 1.334 792 S CA -0.079 58.274 58.200 0.255 0.000 1.015 792 S CB 1.556 64.850 63.200 0.157 0.000 0.912 792 S HN 1.040 nan 8.310 nan 0.000 0.541 793 A N 1.508 124.379 122.820 0.085 0.000 1.917 793 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 793 A C 1.800 179.487 177.584 0.172 0.000 1.182 793 A CA 1.947 54.050 52.037 0.109 0.000 0.633 793 A CB -1.121 17.916 19.000 0.062 0.000 0.819 793 A HN 0.901 nan 8.150 nan 0.000 0.448 794 D N -0.808 119.678 120.400 0.144 0.000 2.117 794 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 794 D C 1.912 178.308 176.300 0.160 0.000 0.987 794 D CA 1.638 55.732 54.000 0.156 0.000 0.829 794 D CB -0.315 40.564 40.800 0.131 0.000 0.961 794 D HN 0.594 nan 8.370 nan 0.000 0.460 795 E N 1.142 121.427 120.200 0.142 0.000 2.072 795 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 795 E C 1.996 178.602 176.600 0.010 0.000 0.985 795 E CA 1.160 57.614 56.400 0.092 0.000 0.801 795 E CB -0.247 29.528 29.700 0.125 0.000 0.750 795 E HN 0.299 nan 8.360 nan 0.000 0.452 796 Q N -1.024 118.769 119.800 -0.012 0.000 2.077 796 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 796 Q C 2.058 177.804 176.000 -0.424 0.000 0.989 796 Q CA 1.886 57.568 55.803 -0.202 0.000 0.853 796 Q CB -0.450 28.205 28.738 -0.137 0.000 0.907 796 Q HN 0.513 nan 8.270 nan 0.000 0.418 797 Y N 0.962 121.121 120.300 -0.236 0.000 2.097 797 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 797 Y C 2.693 178.490 175.900 -0.172 0.000 1.152 797 Y CA 2.462 60.500 58.100 -0.103 0.000 1.136 797 Y CB -0.108 38.481 38.460 0.215 0.000 0.975 797 Y HN 0.260 nan 8.280 nan 0.000 0.498 798 R N 0.248 120.830 120.500 0.137 0.000 2.081 798 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 798 R C 2.125 178.382 176.300 -0.072 0.000 1.131 798 R CA 1.839 57.981 56.100 0.070 0.000 0.960 798 R CB -0.564 29.769 30.300 0.054 0.000 0.856 798 R HN 0.191 nan 8.270 nan 0.000 0.436 799 R N 0.211 120.618 120.500 -0.155 0.000 2.096 799 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 799 R C 2.514 178.637 176.300 -0.295 0.000 1.127 799 R CA 1.356 57.340 56.100 -0.194 0.000 0.968 799 R CB -0.580 29.611 30.300 -0.181 0.000 0.861 799 R HN 0.556 nan 8.270 nan 0.000 0.440 800 G N 1.059 109.498 108.800 -0.602 0.000 2.450 800 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 800 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 800 G C 1.196 175.928 174.900 -0.280 0.000 1.130 800 G CA 0.683 45.308 45.100 -0.791 0.000 0.760 800 G HN 0.247 nan 8.290 nan 0.000 0.557 801 N N 0.632 119.239 118.700 -0.155 0.000 2.412 801 N HA 0.086 4.826 4.740 -0.000 0.000 0.184 801 N C 0.627 176.196 175.510 0.099 0.000 1.101 801 N CA 0.077 53.170 53.050 0.072 0.000 0.881 801 N CB 0.254 38.824 38.487 0.139 0.000 0.969 801 N HN 0.523 nan 8.380 nan 0.000 0.459 802 E N 0.365 120.567 120.200 0.003 0.000 2.408 802 E HA 0.319 4.669 4.350 -0.000 0.000 0.259 802 E C 0.068 176.707 176.600 0.066 0.000 1.110 802 E CA -0.359 56.027 56.400 -0.023 0.000 0.929 802 E CB 0.757 30.416 29.700 -0.069 0.000 0.971 802 E HN 0.146 nan 8.360 nan 0.000 0.438 803 A N 1.946 124.762 122.820 -0.007 0.000 2.498 803 A HA -0.090 4.230 4.320 -0.000 0.000 0.239 803 A C 0.415 178.004 177.584 0.007 0.000 1.068 803 A CA 0.133 52.210 52.037 0.067 0.000 0.766 803 A CB -0.026 18.838 19.000 -0.226 0.000 1.003 803 A HN 0.875 nan 8.150 nan 0.000 0.497 804 Y N 2.669 122.944 120.300 -0.043 0.000 2.224 804 Y HA -0.012 4.538 4.550 -0.000 0.000 0.289 804 Y C 1.187 177.053 175.900 -0.056 0.000 1.146 804 Y CA 1.964 60.032 58.100 -0.053 0.000 1.182 804 Y CB 0.089 38.519 38.460 -0.051 0.000 0.983 804 Y HN 0.975 nan 8.280 nan 0.000 0.524 805 S N -3.495 112.204 115.700 -0.001 0.000 2.683 805 S HA 0.200 4.670 4.470 -0.000 0.000 0.269 805 S C -0.894 173.629 174.600 -0.128 0.000 1.165 805 S CA -0.634 57.540 58.200 -0.042 0.000 0.840 805 S CB -0.057 63.188 63.200 0.075 0.000 1.169 805 S HN 0.074 nan 8.310 nan 0.000 0.490 806 Y N 0.814 121.115 120.300 0.002 0.000 2.524 806 Y HA 0.364 4.914 4.550 -0.000 0.000 0.266 806 Y C 0.010 175.909 175.900 -0.001 0.000 1.180 806 Y CA -0.707 57.386 58.100 -0.010 0.000 1.244 806 Y CB -0.442 38.000 38.460 -0.029 0.000 1.125 806 Y HN 0.577 nan 8.280 nan 0.000 0.524 807 D N 0.361 120.839 120.400 0.130 0.000 2.472 807 D HA -0.105 4.535 4.640 -0.000 0.000 0.237 807 D C 1.074 177.402 176.300 0.047 0.000 1.141 807 D CA 0.595 54.646 54.000 0.084 0.000 0.875 807 D CB 0.725 41.578 40.800 0.089 0.000 1.192 807 D HN 0.175 nan 8.370 nan 0.000 0.450 808 D N 1.197 121.613 120.400 0.027 0.000 2.133 808 D HA -0.221 4.419 4.640 -0.000 0.000 0.195 808 D C 1.644 177.944 176.300 0.001 0.000 0.997 808 D CA 1.342 55.344 54.000 0.004 0.000 0.840 808 D CB 0.193 40.989 40.800 -0.008 0.000 0.947 808 D HN 0.331 nan 8.370 nan 0.000 0.452 809 K N -0.400 120.003 120.400 0.004 0.000 2.152 809 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 809 K C 2.015 178.612 176.600 -0.004 0.000 1.048 809 K CA 1.189 57.472 56.287 -0.007 0.000 0.933 809 K CB -0.023 32.471 32.500 -0.010 0.000 0.721 809 K HN 0.018 nan 8.250 nan 0.000 0.447 810 S N 0.043 115.755 115.700 0.020 0.000 2.377 810 S HA 0.089 4.559 4.470 -0.000 0.000 0.223 810 S C 0.651 175.274 174.600 0.039 0.000 1.030 810 S CA 0.574 58.794 58.200 0.033 0.000 0.970 810 S CB 0.170 63.416 63.200 0.076 0.000 0.830 810 S HN 0.197 nan 8.310 nan 0.000 0.473 811 I N 1.747 122.327 120.570 0.017 0.000 2.468 811 I HA 0.226 4.396 4.170 -0.000 0.000 0.284 811 I C -0.761 175.351 176.117 -0.008 0.000 1.038 811 I CA -0.443 60.864 61.300 0.012 0.000 1.083 811 I CB 1.963 39.924 38.000 -0.065 0.000 1.223 811 I HN 0.008 nan 8.210 nan 0.000 0.443 812 E N 5.725 125.932 120.200 0.013 0.000 2.480 812 E HA 0.048 4.398 4.350 -0.000 0.000 0.258 812 E C -0.611 175.965 176.600 -0.041 0.000 0.984 812 E CA 0.434 56.827 56.400 -0.012 0.000 0.930 812 E CB 0.339 30.041 29.700 0.004 0.000 0.936 812 E HN 0.693 nan 8.360 nan 0.000 0.466 813 N N -0.782 117.896 118.700 -0.037 0.000 3.020 813 N HA 0.528 5.268 4.740 -0.000 0.000 0.248 813 N C -1.828 173.676 175.510 -0.010 0.000 1.480 813 N CA -0.921 52.110 53.050 -0.031 0.000 0.874 813 N CB 1.354 39.819 38.487 -0.036 0.000 1.433 813 N HN 0.103 nan 8.380 nan 0.000 0.530 814 V N 1.010 120.943 119.914 0.031 0.000 2.524 814 V HA 0.419 4.539 4.120 -0.000 0.000 0.297 814 V C -0.405 175.762 176.094 0.123 0.000 1.035 814 V CA -0.770 61.562 62.300 0.054 0.000 0.867 814 V CB 0.456 32.317 31.823 0.064 0.000 1.004 814 V HN 0.971 nan 8.190 nan 0.000 0.426 815 N N 3.602 122.322 118.700 0.033 0.000 2.693 815 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 815 N C 1.179 176.674 175.510 -0.026 0.000 1.119 815 N CA 1.577 54.638 53.050 0.019 0.000 0.717 815 N CB -0.879 37.689 38.487 0.135 0.000 1.071 815 N HN 1.517 nan 8.380 nan 0.000 0.555 816 G N -3.143 105.611 108.800 -0.077 0.000 2.217 816 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.246 816 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.246 816 G C -0.002 174.760 174.900 -0.231 0.000 0.990 816 G CA 0.272 45.264 45.100 -0.178 0.000 0.627 816 G HN 0.437 nan 8.290 nan 0.000 0.522 817 Y N -0.058 120.244 120.300 0.003 0.000 2.301 817 Y HA 0.640 5.190 4.550 0.000 0.000 0.328 817 Y C 0.864 176.734 175.900 -0.049 0.000 1.242 817 Y CA -0.742 57.361 58.100 0.004 0.000 1.323 817 Y CB 0.737 39.196 38.460 -0.003 0.000 1.266 817 Y HN 0.116 nan 8.280 nan 0.000 0.527 818 L N 1.655 122.934 121.223 0.093 0.000 2.344 818 L HA 0.587 4.927 4.340 -0.000 0.000 0.272 818 L C 0.401 177.176 176.870 -0.158 0.000 1.035 818 L CA -0.404 54.386 54.840 -0.084 0.000 0.807 818 L CB 1.654 43.597 42.059 -0.194 0.000 1.237 818 L HN 0.823 nan 8.230 nan 0.000 0.442 819 T N -2.017 112.342 114.554 -0.324 0.000 2.888 819 T HA 0.661 5.011 4.350 -0.000 0.000 0.288 819 T C 0.849 175.182 174.700 -0.612 0.000 1.063 819 T CA -0.163 61.544 62.100 -0.655 0.000 1.010 819 T CB 1.410 69.623 68.868 -1.093 0.000 1.214 819 T HN 0.547 nan 8.240 nan 0.000 0.533 820 A N 0.134 122.444 122.820 -0.850 0.000 2.070 820 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 820 A C 1.634 178.995 177.584 -0.371 0.000 1.159 820 A CA 1.422 52.991 52.037 -0.780 0.000 0.656 820 A CB -0.838 17.159 19.000 -1.672 0.000 0.800 820 A HN 0.845 nan 8.150 nan 0.000 0.453 821 D N -0.487 119.772 120.400 -0.234 0.000 2.339 821 D HA 0.050 4.690 4.640 -0.000 0.000 0.217 821 D C 0.054 176.418 176.300 0.107 0.000 1.050 821 D CA 0.336 54.359 54.000 0.038 0.000 0.856 821 D CB -0.108 40.750 40.800 0.096 0.000 0.922 821 D HN 0.177 nan 8.370 nan 0.000 0.518 822 T N 1.253 115.792 114.554 -0.024 0.000 2.902 822 T HA -0.006 4.344 4.350 -0.000 0.000 0.301 822 T C -0.153 174.706 174.700 0.266 0.000 1.012 822 T CA 0.179 62.301 62.100 0.036 0.000 1.151 822 T CB 0.511 69.302 68.868 -0.129 0.000 0.946 822 T HN 0.012 nan 8.240 nan 0.000 0.542 823 W N 3.593 124.859 121.300 -0.056 0.000 2.647 823 W HA 0.624 5.284 4.660 -0.000 0.000 0.353 823 W C -0.319 176.243 176.519 0.071 0.000 1.080 823 W CA -1.254 56.096 57.345 0.008 0.000 1.208 823 W CB 0.773 30.199 29.460 -0.056 0.000 1.396 823 W HN 0.705 nan 8.180 nan 0.000 0.573 824 Y N -1.083 119.238 120.300 0.036 0.000 2.625 824 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 824 Y C -0.696 175.182 175.900 -0.036 0.000 1.123 824 Y CA -1.955 56.120 58.100 -0.041 0.000 1.046 824 Y CB 1.231 39.609 38.460 -0.136 0.000 1.299 824 Y HN 0.401 nan 8.280 nan 0.000 0.464 825 R N 4.161 124.521 120.500 -0.234 0.000 2.205 825 R HA 0.405 4.745 4.340 -0.000 0.000 0.342 825 R C -2.696 173.448 176.300 -0.261 0.000 1.058 825 R CA -1.963 53.955 56.100 -0.304 0.000 0.904 825 R CB 0.678 30.886 30.300 -0.153 0.000 1.089 825 R HN 0.524 nan 8.270 nan 0.000 0.471 826 P HA 0.035 nan 4.420 nan 0.000 0.273 826 P C -0.331 176.993 177.300 0.040 0.000 1.250 826 P CA -0.175 62.829 63.100 -0.161 0.000 0.793 826 P CB 0.940 32.541 31.700 -0.165 0.000 1.011 827 K N -0.280 120.170 120.400 0.084 0.000 2.057 827 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 827 K C 1.099 177.766 176.600 0.111 0.000 1.050 827 K CA 1.394 57.758 56.287 0.128 0.000 0.935 827 K CB 0.078 32.579 32.500 0.001 0.000 0.715 827 K HN 0.543 nan 8.250 nan 0.000 0.439 828 Q N -0.218 119.626 119.800 0.074 0.000 2.496 828 Q HA 0.431 4.771 4.340 -0.000 0.000 0.286 828 Q C -1.360 174.824 176.000 0.307 0.000 1.103 828 Q CA -0.958 54.954 55.803 0.183 0.000 0.813 828 Q CB 2.201 31.059 28.738 0.200 0.000 1.444 828 Q HN -0.071 nan 8.270 nan 0.000 0.443 829 I N 1.468 122.202 120.570 0.273 0.000 2.465 829 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 829 I C -0.839 175.205 176.117 -0.122 0.000 1.014 829 I CA -0.683 60.663 61.300 0.076 0.000 1.093 829 I CB 1.787 39.782 38.000 -0.009 0.000 1.267 829 I HN 0.452 nan 8.210 nan 0.000 0.431 830 L N 7.216 128.116 121.223 -0.538 0.000 2.436 830 L HA 0.171 4.511 4.340 -0.000 0.000 0.244 830 L C 0.525 177.120 176.870 -0.458 0.000 1.396 830 L CA -0.086 54.170 54.840 -0.973 0.000 1.217 830 L CB -1.516 39.894 42.059 -1.082 0.000 1.420 830 L HN 0.471 nan 8.230 nan 0.000 0.434 831 K N 1.937 122.165 120.400 -0.286 0.000 2.438 831 K HA -0.198 4.122 4.320 -0.000 0.000 0.270 831 K C 0.856 177.369 176.600 -0.144 0.000 1.095 831 K CA 0.932 57.128 56.287 -0.151 0.000 1.174 831 K CB -0.127 32.320 32.500 -0.087 0.000 0.830 831 K HN 0.557 nan 8.250 nan 0.000 0.487 832 D N 3.369 123.712 120.400 -0.094 0.000 2.811 832 D HA -0.211 4.429 4.640 -0.000 0.000 0.231 832 D C 0.696 176.943 176.300 -0.088 0.000 1.157 832 D CA 1.941 55.901 54.000 -0.066 0.000 0.716 832 D CB -1.258 39.514 40.800 -0.046 0.000 1.077 832 D HN 0.939 nan 8.370 nan 0.000 0.428 833 G N -1.607 107.112 108.800 -0.134 0.000 2.196 833 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.268 833 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.268 833 G C 1.040 175.834 174.900 -0.178 0.000 0.975 833 G CA 1.712 46.723 45.100 -0.149 0.000 0.648 833 G HN 1.247 nan 8.290 nan 0.000 0.538 834 T N -4.668 109.777 114.554 -0.183 0.000 2.964 834 T HA 0.420 4.770 4.350 -0.000 0.000 0.250 834 T C 0.661 175.252 174.700 -0.181 0.000 0.982 834 T CA 1.306 63.319 62.100 -0.146 0.000 0.959 834 T CB 0.861 69.689 68.868 -0.066 0.000 1.141 834 T HN 0.552 nan 8.240 nan 0.000 0.494 835 T N 1.947 116.375 114.554 -0.211 0.000 2.906 835 T HA 0.406 4.756 4.350 -0.000 0.000 0.302 835 T C -1.275 173.345 174.700 -0.134 0.000 1.002 835 T CA -0.601 61.426 62.100 -0.122 0.000 0.988 835 T CB 0.581 69.425 68.868 -0.040 0.000 0.972 835 T HN 0.357 nan 8.240 nan 0.000 0.447 836 W N 2.974 124.248 121.300 -0.043 0.000 2.489 836 W HA 0.314 4.974 4.660 -0.000 0.000 0.327 836 W C 0.487 176.983 176.519 -0.038 0.000 1.436 836 W CA 0.028 57.336 57.345 -0.062 0.000 1.315 836 W CB 0.364 29.783 29.460 -0.069 0.000 1.373 836 W HN 0.423 nan 8.180 nan 0.000 0.557 837 T N 4.107 118.797 114.554 0.226 0.000 2.921 837 T HA 0.051 4.401 4.350 -0.000 0.000 0.297 837 T C -0.794 173.976 174.700 0.118 0.000 1.013 837 T CA -0.992 61.185 62.100 0.129 0.000 0.990 837 T CB 1.045 69.948 68.868 0.058 0.000 1.023 837 T HN 0.071 nan 8.240 nan 0.000 0.447 838 D N 3.152 123.607 120.400 0.093 0.000 2.923 838 D HA 0.015 4.655 4.640 -0.000 0.000 0.220 838 D C 0.814 177.141 176.300 0.045 0.000 1.099 838 D CA 0.657 54.705 54.000 0.079 0.000 0.807 838 D CB 0.318 41.159 40.800 0.069 0.000 1.155 838 D HN 0.586 nan 8.370 nan 0.000 0.524 839 S N 2.480 118.203 115.700 0.038 0.000 2.573 839 S HA 0.154 4.624 4.470 -0.000 0.000 0.277 839 S C 0.357 174.897 174.600 -0.100 0.000 1.346 839 S CA -0.374 57.805 58.200 -0.035 0.000 1.034 839 S CB 1.444 64.606 63.200 -0.064 0.000 0.879 839 S HN 0.275 nan 8.310 nan 0.000 0.528 840 K N 0.804 121.139 120.400 -0.108 0.000 2.106 840 K HA 0.197 4.517 4.320 -0.000 0.000 0.246 840 K C 1.495 177.984 176.600 -0.185 0.000 0.987 840 K CA -0.387 55.822 56.287 -0.130 0.000 0.904 840 K CB 0.705 33.158 32.500 -0.078 0.000 1.071 840 K HN 0.901 nan 8.250 nan 0.000 0.453 841 E N -0.182 119.904 120.200 -0.190 0.000 2.268 841 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 841 E C 0.821 177.343 176.600 -0.131 0.000 0.995 841 E CA 1.543 57.822 56.400 -0.202 0.000 0.836 841 E CB -0.117 29.479 29.700 -0.174 0.000 0.763 841 E HN 0.652 nan 8.360 nan 0.000 0.491 842 T N -1.853 112.643 114.554 -0.097 0.000 3.100 842 T HA 0.013 4.363 4.350 -0.000 0.000 0.253 842 T C 0.615 175.286 174.700 -0.048 0.000 1.118 842 T CA 0.063 62.125 62.100 -0.064 0.000 1.058 842 T CB -0.021 68.819 68.868 -0.047 0.000 0.953 842 T HN -0.060 nan 8.240 nan 0.000 0.515 843 D N 2.639 122.997 120.400 -0.071 0.000 2.982 843 D HA 0.154 4.794 4.640 -0.000 0.000 0.238 843 D C 0.127 176.376 176.300 -0.084 0.000 1.168 843 D CA 0.071 54.031 54.000 -0.066 0.000 0.947 843 D CB -0.225 40.523 40.800 -0.086 0.000 1.147 843 D HN 0.367 nan 8.370 nan 0.000 0.450 844 M N 0.736 120.332 119.600 -0.007 0.000 2.239 844 M HA 0.144 4.624 4.480 -0.000 0.000 0.348 844 M C 0.668 177.027 176.300 0.099 0.000 1.239 844 M CA 0.352 55.692 55.300 0.067 0.000 1.114 844 M CB 0.414 33.133 32.600 0.198 0.000 1.641 844 M HN -0.157 nan 8.290 nan 0.000 0.453 845 R N 3.144 123.515 120.500 -0.215 0.000 2.744 845 R HA 0.613 4.953 4.340 -0.000 0.000 0.279 845 R C -2.626 173.169 176.300 -0.841 0.000 0.977 845 R CA -1.956 53.791 56.100 -0.587 0.000 0.906 845 R CB 1.571 31.581 30.300 -0.485 0.000 1.197 845 R HN 0.319 nan 8.270 nan 0.000 0.463 846 P HA 0.174 nan 4.420 nan 0.000 0.275 846 P C 0.840 177.891 177.300 -0.414 0.000 1.227 846 P CA -0.243 62.054 63.100 -1.339 0.000 0.781 846 P CB 0.839 31.855 31.700 -1.141 0.000 0.906 847 I N 2.573 123.010 120.570 -0.222 0.000 2.454 847 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 847 I C 1.606 177.555 176.117 -0.280 0.000 1.156 847 I CA 1.097 62.252 61.300 -0.242 0.000 1.433 847 I CB 0.031 37.793 38.000 -0.397 0.000 1.082 847 I HN 0.289 nan 8.210 nan 0.000 0.432 848 L N 0.048 121.123 121.223 -0.247 0.000 2.622 848 L HA -0.139 4.201 4.340 -0.000 0.000 0.233 848 L C 2.269 178.816 176.870 -0.539 0.000 1.156 848 L CA 0.479 55.096 54.840 -0.372 0.000 0.866 848 L CB -0.289 41.748 42.059 -0.038 0.000 0.980 848 L HN 0.406 nan 8.230 nan 0.000 0.448 849 M N -0.345 119.071 119.600 -0.308 0.000 2.419 849 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 849 M C 1.413 177.631 176.300 -0.136 0.000 1.082 849 M CA 1.189 56.432 55.300 -0.095 0.000 1.119 849 M CB 0.355 32.919 32.600 -0.060 0.000 1.398 849 M HN 0.211 nan 8.290 nan 0.000 0.453 850 V N -4.060 115.601 119.914 -0.423 0.000 3.382 850 V HA 0.301 4.421 4.120 -0.000 0.000 0.296 850 V C -0.591 175.014 176.094 -0.815 0.000 1.529 850 V CA -0.648 61.422 62.300 -0.383 0.000 1.048 850 V CB -0.412 31.377 31.823 -0.056 0.000 0.878 850 V HN 0.524 nan 8.190 nan 0.000 0.442 851 W N 0.362 120.700 121.300 -1.603 0.000 3.138 851 W HA 0.684 5.344 4.660 0.000 0.000 0.331 851 W C -2.249 173.325 176.519 -1.574 0.000 1.166 851 W CA -0.940 55.648 57.345 -1.263 0.000 1.212 851 W CB 1.493 30.528 29.460 -0.708 0.000 1.399 851 W HN 0.061 nan 8.180 nan 0.000 0.514 852 W N 5.679 126.270 121.300 -1.181 0.000 3.127 852 W HA 0.209 4.869 4.660 0.000 0.000 0.330 852 W C -1.752 173.867 176.519 -1.499 0.000 1.187 852 W CA -1.635 55.018 57.345 -1.153 0.000 1.198 852 W CB 1.331 30.509 29.460 -0.471 0.000 1.408 852 W HN 0.185 nan 8.180 nan 0.000 0.529 853 P HA -0.145 nan 4.420 nan 0.000 0.223 853 P C -0.158 177.062 177.300 -0.134 0.000 1.151 853 P CA 1.507 64.385 63.100 -0.369 0.000 0.787 853 P CB 0.457 32.149 31.700 -0.013 0.000 0.788 854 N N -3.608 115.032 118.700 -0.100 0.000 3.227 854 N HA 0.044 4.784 4.740 -0.000 0.000 0.241 854 N C 0.504 175.998 175.510 -0.027 0.000 1.480 854 N CA -0.310 52.718 53.050 -0.036 0.000 0.886 854 N CB -0.594 37.881 38.487 -0.020 0.000 1.406 854 N HN -0.275 nan 8.380 nan 0.000 0.514 855 T N -2.974 111.561 114.554 -0.030 0.000 2.904 855 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 855 T C 1.609 176.274 174.700 -0.057 0.000 1.059 855 T CA 1.334 63.396 62.100 -0.063 0.000 1.137 855 T CB -0.544 68.299 68.868 -0.043 0.000 0.879 855 T HN 0.252 nan 8.240 nan 0.000 0.467 856 V N 2.151 122.054 119.914 -0.017 0.000 2.332 856 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 856 V C 3.016 179.154 176.094 0.072 0.000 1.055 856 V CA 2.345 64.653 62.300 0.014 0.000 1.038 856 V CB -1.277 30.544 31.823 -0.003 0.000 0.651 856 V HN 0.571 nan 8.190 nan 0.000 0.450 857 T N -1.036 113.562 114.554 0.074 0.000 2.867 857 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 857 T C 1.881 176.695 174.700 0.191 0.000 1.057 857 T CA 1.530 63.757 62.100 0.212 0.000 1.136 857 T CB -0.171 68.796 68.868 0.166 0.000 0.874 857 T HN 0.526 nan 8.240 nan 0.000 0.466 858 Q N 0.573 120.300 119.800 -0.121 0.000 2.084 858 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 858 Q C 2.518 178.319 176.000 -0.331 0.000 0.978 858 Q CA 1.481 56.889 55.803 -0.658 0.000 0.844 858 Q CB -0.258 27.999 28.738 -0.801 0.000 0.898 858 Q HN 0.551 nan 8.270 nan 0.000 0.426 859 A N -0.080 122.658 122.820 -0.136 0.000 1.902 859 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 859 A C 1.883 179.585 177.584 0.196 0.000 1.181 859 A CA 1.414 53.438 52.037 -0.022 0.000 0.623 859 A CB -0.950 18.090 19.000 0.068 0.000 0.818 859 A HN 0.657 nan 8.150 nan 0.000 0.443 860 Y N -1.007 119.378 120.300 0.141 0.000 2.200 860 Y HA -0.205 4.345 4.550 0.000 0.000 0.290 860 Y C 2.132 178.254 175.900 0.371 0.000 1.137 860 Y CA 1.183 59.452 58.100 0.283 0.000 1.163 860 Y CB -1.012 37.629 38.460 0.302 0.000 0.988 860 Y HN 0.471 nan 8.280 nan 0.000 0.518 861 Y N 0.203 120.541 120.300 0.062 0.000 2.128 861 Y HA -0.291 4.259 4.550 -0.000 0.000 0.284 861 Y C 2.155 177.917 175.900 -0.230 0.000 1.154 861 Y CA 2.228 60.037 58.100 -0.484 0.000 1.149 861 Y CB -0.696 37.533 38.460 -0.386 0.000 0.976 861 Y HN 0.138 nan 8.280 nan 0.000 0.505 862 L N 0.253 121.410 121.223 -0.111 0.000 1.989 862 L HA -0.305 4.035 4.340 -0.000 0.000 0.211 862 L C 2.258 179.161 176.870 0.054 0.000 1.071 862 L CA 1.652 56.418 54.840 -0.123 0.000 0.749 862 L CB -0.811 41.082 42.059 -0.276 0.000 0.890 862 L HN 0.295 nan 8.230 nan 0.000 0.431 863 N N -0.636 118.190 118.700 0.209 0.000 2.149 863 N HA -0.260 4.480 4.740 -0.000 0.000 0.188 863 N C 1.730 177.353 175.510 0.189 0.000 1.019 863 N CA 1.515 54.709 53.050 0.239 0.000 0.857 863 N CB -0.501 38.188 38.487 0.336 0.000 0.997 863 N HN 0.371 nan 8.380 nan 0.000 0.426 864 Y N 0.754 121.064 120.300 0.017 0.000 2.220 864 Y HA 0.005 4.555 4.550 -0.000 0.000 0.291 864 Y C 2.229 178.149 175.900 0.034 0.000 1.129 864 Y CA 1.123 59.273 58.100 0.083 0.000 1.161 864 Y CB 0.049 38.464 38.460 -0.075 0.000 0.997 864 Y HN -0.083 nan 8.280 nan 0.000 0.522 865 M N 0.300 119.874 119.600 -0.044 0.000 2.254 865 M HA -0.148 4.332 4.480 -0.000 0.000 0.265 865 M C 2.129 178.406 176.300 -0.037 0.000 1.066 865 M CA 1.436 56.672 55.300 -0.106 0.000 1.123 865 M CB -0.938 31.424 32.600 -0.396 0.000 1.388 865 M HN 0.246 nan 8.290 nan 0.000 0.425 866 K N 0.463 120.850 120.400 -0.022 0.000 1.984 866 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 866 K C 2.098 178.660 176.600 -0.064 0.000 1.046 866 K CA 1.588 57.872 56.287 -0.006 0.000 0.934 866 K CB -0.138 32.381 32.500 0.032 0.000 0.717 866 K HN 0.339 nan 8.250 nan 0.000 0.438 867 Q N -0.951 118.786 119.800 -0.104 0.000 2.083 867 Q HA -0.152 4.188 4.340 -0.000 0.000 0.198 867 Q C 1.367 177.064 176.000 -0.506 0.000 0.969 867 Q CA 1.532 57.152 55.803 -0.304 0.000 0.838 867 Q CB 0.087 28.609 28.738 -0.360 0.000 0.900 867 Q HN 0.459 nan 8.270 nan 0.000 0.436 868 Y N -2.028 118.095 120.300 -0.296 0.000 2.507 868 Y HA 0.302 4.852 4.550 -0.000 0.000 0.263 868 Y C 2.060 177.894 175.900 -0.110 0.000 1.093 868 Y CA 0.390 58.319 58.100 -0.285 0.000 1.285 868 Y CB 0.466 38.543 38.460 -0.638 0.000 1.115 868 Y HN 0.204 nan 8.280 nan 0.000 0.533 869 G N -0.511 108.326 108.800 0.063 0.000 2.662 869 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 869 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 869 G C 0.218 175.146 174.900 0.046 0.000 1.141 869 G CA 0.181 45.349 45.100 0.113 0.000 0.797 869 G HN 0.414 nan 8.290 nan 0.000 0.531 870 N N -1.033 117.662 118.700 -0.008 0.000 2.721 870 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 870 N C 0.727 176.235 175.510 -0.003 0.000 1.072 870 N CA 0.383 53.419 53.050 -0.023 0.000 0.710 870 N CB -1.165 37.298 38.487 -0.040 0.000 0.993 870 N HN 0.350 nan 8.380 nan 0.000 0.547 871 L N -0.904 120.331 121.223 0.021 0.000 2.667 871 L HA 0.349 4.689 4.340 -0.000 0.000 0.232 871 L C 0.253 177.155 176.870 0.053 0.000 1.138 871 L CA 0.345 55.210 54.840 0.041 0.000 0.921 871 L CB 0.216 42.314 42.059 0.065 0.000 1.180 871 L HN 0.216 nan 8.230 nan 0.000 0.487 872 L N -1.367 119.889 121.223 0.054 0.000 2.469 872 L HA 0.472 4.812 4.340 -0.000 0.000 0.256 872 L C -2.457 174.452 176.870 0.065 0.000 1.006 872 L CA -1.893 53.006 54.840 0.099 0.000 0.832 872 L CB 2.298 44.454 42.059 0.163 0.000 1.421 872 L HN -0.267 nan 8.230 nan 0.000 0.410 873 P HA 0.005 nan 4.420 nan 0.000 0.264 873 P C 0.060 177.368 177.300 0.013 0.000 1.183 873 P CA 0.113 63.239 63.100 0.043 0.000 0.763 873 P CB 0.806 32.545 31.700 0.064 0.000 0.807 874 A N 2.925 125.738 122.820 -0.011 0.000 2.070 874 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 874 A C 1.905 179.465 177.584 -0.040 0.000 1.159 874 A CA 1.954 53.970 52.037 -0.035 0.000 0.656 874 A CB -1.033 17.941 19.000 -0.043 0.000 0.800 874 A HN 0.570 nan 8.150 nan 0.000 0.453 875 S N -1.466 114.217 115.700 -0.028 0.000 2.556 875 S HA 0.298 4.768 4.470 -0.000 0.000 0.216 875 S C 0.305 174.872 174.600 -0.055 0.000 0.970 875 S CA -0.420 57.758 58.200 -0.037 0.000 0.912 875 S CB -0.518 62.668 63.200 -0.023 0.000 0.790 875 S HN 0.246 nan 8.310 nan 0.000 0.504 876 L N 3.236 124.423 121.223 -0.061 0.000 2.416 876 L HA 0.468 4.808 4.340 -0.000 0.000 0.272 876 L C -2.509 174.233 176.870 -0.215 0.000 1.161 876 L CA -1.711 53.053 54.840 -0.126 0.000 0.845 876 L CB 0.166 42.162 42.059 -0.105 0.000 1.119 876 L HN 0.038 nan 8.230 nan 0.000 0.464 877 P HA 0.181 nan 4.420 nan 0.000 0.271 877 P C -0.804 176.222 177.300 -0.457 0.000 1.218 877 P CA -0.313 62.607 63.100 -0.301 0.000 0.780 877 P CB 0.576 32.108 31.700 -0.280 0.000 0.901 878 S N 1.572 117.104 115.700 -0.281 0.000 2.558 878 S HA 0.081 4.551 4.470 -0.000 0.000 0.287 878 S C 0.014 174.406 174.600 -0.346 0.000 1.321 878 S CA 0.199 58.267 58.200 -0.219 0.000 1.048 878 S CB -0.447 62.722 63.200 -0.052 0.000 0.844 878 S HN 0.216 nan 8.310 nan 0.000 0.512 879 F N 1.709 121.635 119.950 -0.041 0.000 2.404 879 F HA 0.379 4.906 4.527 0.000 0.000 0.345 879 F C 1.113 176.908 175.800 -0.009 0.000 1.110 879 F CA -0.531 57.441 58.000 -0.047 0.000 1.130 879 F CB 1.038 40.002 39.000 -0.059 0.000 1.129 879 F HN 0.545 nan 8.300 nan 0.000 0.500 880 S N -0.327 115.458 115.700 0.142 0.000 2.638 880 S HA 0.228 4.698 4.470 -0.000 0.000 0.298 880 S C 1.117 175.764 174.600 0.078 0.000 1.111 880 S CA -0.060 58.191 58.200 0.084 0.000 1.027 880 S CB 1.399 64.621 63.200 0.037 0.000 1.064 880 S HN 0.822 nan 8.310 nan 0.000 0.525 881 T N -1.818 112.765 114.554 0.048 0.000 2.882 881 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 881 T C 0.766 175.483 174.700 0.029 0.000 1.104 881 T CA 2.068 64.186 62.100 0.030 0.000 1.118 881 T CB -0.881 67.993 68.868 0.010 0.000 0.831 881 T HN 0.745 nan 8.240 nan 0.000 0.529 882 D N 1.034 121.455 120.400 0.034 0.000 2.336 882 D HA 0.465 5.105 4.640 -0.000 0.000 0.228 882 D C 0.558 176.885 176.300 0.046 0.000 1.120 882 D CA 0.072 54.091 54.000 0.031 0.000 0.839 882 D CB -0.278 40.536 40.800 0.023 0.000 0.932 882 D HN 0.689 nan 8.370 nan 0.000 0.509 883 A N 0.680 123.539 122.820 0.065 0.000 2.488 883 A HA 0.200 4.520 4.320 -0.000 0.000 0.249 883 A C 0.268 177.887 177.584 0.059 0.000 1.083 883 A CA -0.436 51.657 52.037 0.095 0.000 0.768 883 A CB 0.330 19.412 19.000 0.136 0.000 1.017 883 A HN 0.310 nan 8.150 nan 0.000 0.496 884 D N 1.985 122.427 120.400 0.071 0.000 2.414 884 D HA 0.088 4.728 4.640 -0.000 0.000 0.242 884 D C 1.534 177.858 176.300 0.040 0.000 1.129 884 D CA 0.742 54.774 54.000 0.055 0.000 0.885 884 D CB 1.000 41.839 40.800 0.065 0.000 1.198 884 D HN 0.469 nan 8.370 nan 0.000 0.437 885 S N 3.213 118.930 115.700 0.028 0.000 2.357 885 S HA -0.124 4.346 4.470 -0.000 0.000 0.221 885 S C 2.088 176.707 174.600 0.032 0.000 1.031 885 S CA 1.016 59.224 58.200 0.014 0.000 0.982 885 S CB -0.667 62.546 63.200 0.021 0.000 0.853 885 S HN 0.566 nan 8.310 nan 0.000 0.458 886 A N 1.976 124.828 122.820 0.052 0.000 1.917 886 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 886 A C 2.206 179.851 177.584 0.102 0.000 1.182 886 A CA 1.965 54.044 52.037 0.069 0.000 0.633 886 A CB -1.091 17.948 19.000 0.065 0.000 0.819 886 A HN 0.816 nan 8.150 nan 0.000 0.448 887 E N 0.030 120.299 120.200 0.115 0.000 2.017 887 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 887 E C 1.902 178.630 176.600 0.212 0.000 0.997 887 E CA 1.335 57.858 56.400 0.205 0.000 0.804 887 E CB -0.362 29.464 29.700 0.209 0.000 0.757 887 E HN 0.579 nan 8.360 nan 0.000 0.448 888 L N 0.926 122.153 121.223 0.007 0.000 2.089 888 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 888 L C 2.297 179.100 176.870 -0.112 0.000 1.079 888 L CA 1.209 55.933 54.840 -0.193 0.000 0.758 888 L CB -0.630 41.281 42.059 -0.247 0.000 0.891 888 L HN 0.255 nan 8.230 nan 0.000 0.433 889 N N -1.521 117.174 118.700 -0.008 0.000 2.250 889 N HA -0.165 4.575 4.740 -0.000 0.000 0.181 889 N C 1.770 177.297 175.510 0.028 0.000 1.017 889 N CA 0.801 53.856 53.050 0.007 0.000 0.866 889 N CB -0.433 38.075 38.487 0.035 0.000 0.985 889 N HN 0.432 nan 8.380 nan 0.000 0.429 890 H N 0.353 119.410 119.070 -0.022 0.000 2.251 890 H HA -0.169 4.387 4.556 -0.000 0.000 0.294 890 H C 1.311 176.548 175.328 -0.151 0.000 1.078 890 H CA 1.808 57.799 56.048 -0.096 0.000 1.246 890 H CB -0.443 29.259 29.762 -0.101 0.000 1.358 890 H HN 0.229 nan 8.280 nan 0.000 0.488 891 Y N 0.840 121.163 120.300 0.038 0.000 2.403 891 Y HA -0.139 4.411 4.550 0.000 0.000 0.291 891 Y C 3.175 179.031 175.900 -0.074 0.000 1.143 891 Y CA 1.148 59.235 58.100 -0.022 0.000 1.257 891 Y CB -0.013 38.459 38.460 0.020 0.000 0.984 891 Y HN 0.199 nan 8.280 nan 0.000 0.550 892 S N -0.396 115.317 115.700 0.021 0.000 2.371 892 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 892 S C 1.833 176.533 174.600 0.166 0.000 1.029 892 S CA 1.155 59.413 58.200 0.097 0.000 0.978 892 S CB -0.136 63.082 63.200 0.029 0.000 0.833 892 S HN 0.519 nan 8.310 nan 0.000 0.466 893 E N 0.734 120.969 120.200 0.058 0.000 2.051 893 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 893 E C 2.069 178.691 176.600 0.037 0.000 0.991 893 E CA 0.828 57.273 56.400 0.075 0.000 0.799 893 E CB -0.248 29.353 29.700 -0.165 0.000 0.748 893 E HN 0.201 nan 8.360 nan 0.000 0.449 894 L N 0.958 122.088 121.223 -0.155 0.000 2.013 894 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 894 L C 2.277 179.158 176.870 0.018 0.000 1.073 894 L CA 1.520 56.281 54.840 -0.131 0.000 0.753 894 L CB -0.571 41.333 42.059 -0.258 0.000 0.890 894 L HN -0.026 nan 8.230 nan 0.000 0.432 895 V N -0.396 119.566 119.914 0.080 0.000 2.469 895 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 895 V C 2.570 178.754 176.094 0.152 0.000 1.064 895 V CA 2.036 64.411 62.300 0.125 0.000 1.066 895 V CB -0.727 31.190 31.823 0.157 0.000 0.667 895 V HN 0.708 nan 8.190 nan 0.000 0.461 896 Q N -0.278 119.626 119.800 0.174 0.000 2.049 896 Q HA -0.254 4.086 4.340 -0.000 0.000 0.198 896 Q C 2.296 178.339 176.000 0.072 0.000 0.971 896 Q CA 1.809 57.703 55.803 0.151 0.000 0.833 896 Q CB -0.159 28.703 28.738 0.205 0.000 0.896 896 Q HN 0.682 nan 8.270 nan 0.000 0.434 897 Q N 0.065 119.900 119.800 0.058 0.000 2.135 897 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 897 Q C 1.845 177.855 176.000 0.017 0.000 0.981 897 Q CA 1.641 57.445 55.803 0.002 0.000 0.856 897 Q CB -0.003 28.736 28.738 0.003 0.000 0.902 897 Q HN 0.445 nan 8.270 nan 0.000 0.425 898 N N 0.247 118.976 118.700 0.049 0.000 2.216 898 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 898 N C 1.723 177.303 175.510 0.116 0.000 1.017 898 N CA 0.876 53.961 53.050 0.059 0.000 0.861 898 N CB -0.092 38.428 38.487 0.055 0.000 0.986 898 N HN 0.252 nan 8.380 nan 0.000 0.428 899 I N 1.415 122.096 120.570 0.185 0.000 2.208 899 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 899 I C 1.975 178.244 176.117 0.254 0.000 1.097 899 I CA 1.206 62.699 61.300 0.323 0.000 1.363 899 I CB -0.106 38.013 38.000 0.198 0.000 1.051 899 I HN 0.088 nan 8.210 nan 0.000 0.413 900 E N 0.935 121.192 120.200 0.095 0.000 2.112 900 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 900 E C 2.110 178.738 176.600 0.046 0.000 0.979 900 E CA 0.785 57.209 56.400 0.041 0.000 0.814 900 E CB -0.087 29.570 29.700 -0.071 0.000 0.762 900 E HN 0.504 nan 8.360 nan 0.000 0.460 901 K N 0.665 121.082 120.400 0.029 0.000 2.063 901 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 901 K C 2.307 178.916 176.600 0.016 0.000 1.048 901 K CA 1.151 57.443 56.287 0.008 0.000 0.928 901 K CB -0.158 32.336 32.500 -0.009 0.000 0.713 901 K HN -0.042 nan 8.250 nan 0.000 0.442 902 R N 1.321 121.838 120.500 0.030 0.000 2.096 902 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 902 R C 2.222 178.573 176.300 0.084 0.000 1.127 902 R CA 1.120 57.175 56.100 -0.075 0.000 0.968 902 R CB -0.168 29.896 30.300 -0.392 0.000 0.861 902 R HN 0.144 nan 8.270 nan 0.000 0.440 903 I N 0.211 120.965 120.570 0.307 0.000 2.226 903 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 903 I C 2.218 178.423 176.117 0.146 0.000 1.100 903 I CA 1.164 62.657 61.300 0.320 0.000 1.374 903 I CB -0.323 37.830 38.000 0.254 0.000 1.057 903 I HN 0.157 nan 8.210 nan 0.000 0.413 904 S N 0.809 116.557 115.700 0.079 0.000 2.359 904 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 904 S C 1.879 176.493 174.600 0.024 0.000 1.035 904 S CA 2.012 60.232 58.200 0.035 0.000 1.018 904 S CB -0.404 62.800 63.200 0.007 0.000 0.876 904 S HN 0.645 nan 8.310 nan 0.000 0.448 905 E N 1.071 121.275 120.200 0.007 0.000 2.072 905 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 905 E C 1.910 178.502 176.600 -0.012 0.000 0.985 905 E CA 1.641 58.030 56.400 -0.019 0.000 0.801 905 E CB -0.683 28.983 29.700 -0.056 0.000 0.750 905 E HN 0.634 nan 8.360 nan 0.000 0.452 906 T N -3.460 111.098 114.554 0.006 0.000 3.057 906 T HA 0.301 4.651 4.350 -0.000 0.000 0.254 906 T C 1.682 176.431 174.700 0.082 0.000 1.094 906 T CA 0.367 62.483 62.100 0.027 0.000 1.088 906 T CB 0.260 69.139 68.868 0.019 0.000 0.934 906 T HN 0.473 nan 8.240 nan 0.000 0.497 907 G N 0.630 109.488 108.800 0.096 0.000 2.166 907 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 907 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 907 G C 0.119 175.092 174.900 0.121 0.000 0.986 907 G CA 0.500 45.653 45.100 0.088 0.000 0.683 907 G HN 1.060 nan 8.290 nan 0.000 0.527 908 S N -1.753 114.071 115.700 0.207 0.000 2.595 908 S HA 0.756 5.226 4.470 -0.000 0.000 0.281 908 S C 0.885 175.673 174.600 0.312 0.000 1.117 908 S CA 0.899 59.238 58.200 0.232 0.000 0.873 908 S CB 1.684 65.026 63.200 0.237 0.000 1.108 908 S HN 1.110 nan 8.310 nan 0.000 0.477 909 T N -0.516 114.095 114.554 0.096 0.000 3.084 909 T HA 0.270 4.620 4.350 -0.000 0.000 0.270 909 T C 0.491 175.045 174.700 -0.243 0.000 1.008 909 T CA -0.115 61.892 62.100 -0.156 0.000 0.900 909 T CB -0.108 68.803 68.868 0.071 0.000 1.084 909 T HN 0.439 nan 8.240 nan 0.000 0.538 910 D N 2.281 122.649 120.400 -0.053 0.000 2.126 910 D HA -0.153 4.487 4.640 -0.000 0.000 0.190 910 D C 2.021 178.322 176.300 0.002 0.000 1.001 910 D CA 1.863 55.846 54.000 -0.028 0.000 0.841 910 D CB -0.431 40.406 40.800 0.061 0.000 0.949 910 D HN 0.693 nan 8.370 nan 0.000 0.446 911 W N 1.142 122.496 121.300 0.090 0.000 2.308 911 W HA -0.196 4.463 4.660 -0.000 0.000 0.301 911 W C 1.755 178.377 176.519 0.172 0.000 1.220 911 W CA 0.327 57.740 57.345 0.113 0.000 1.240 911 W CB -1.383 28.135 29.460 0.096 0.000 1.142 911 W HN 0.033 nan 8.180 nan 0.000 0.521 912 L N 2.037 122.768 121.223 -0.820 0.000 2.179 912 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 912 L C 2.884 179.811 176.870 0.095 0.000 1.096 912 L CA 1.502 55.969 54.840 -0.622 0.000 0.779 912 L CB -0.707 40.714 42.059 -1.063 0.000 0.922 912 L HN -0.244 nan 8.230 nan 0.000 0.443 913 R N -0.776 119.762 120.500 0.062 0.000 2.083 913 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 913 R C 2.040 178.414 176.300 0.124 0.000 1.137 913 R CA 1.939 58.047 56.100 0.014 0.000 0.951 913 R CB -1.382 28.733 30.300 -0.309 0.000 0.851 913 R HN 0.403 nan 8.270 nan 0.000 0.434 914 T N 2.073 116.699 114.554 0.120 0.000 2.737 914 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 914 T C 1.868 176.720 174.700 0.252 0.000 1.038 914 T CA 1.006 63.214 62.100 0.180 0.000 1.144 914 T CB -0.274 68.699 68.868 0.176 0.000 0.866 914 T HN 0.090 nan 8.240 nan 0.000 0.434 915 L N 0.862 122.251 121.223 0.277 0.000 2.017 915 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 915 L C 2.149 179.224 176.870 0.342 0.000 1.073 915 L CA 1.769 56.810 54.840 0.336 0.000 0.745 915 L CB -0.655 41.628 42.059 0.372 0.000 0.894 915 L HN 0.117 nan 8.230 nan 0.000 0.432 916 M N -1.287 118.509 119.600 0.326 0.000 2.229 916 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 916 M C 2.366 178.888 176.300 0.369 0.000 1.063 916 M CA 1.547 57.064 55.300 0.362 0.000 1.114 916 M CB -1.532 31.301 32.600 0.388 0.000 1.387 916 M HN 0.466 nan 8.290 nan 0.000 0.420 917 H N 0.374 119.577 119.070 0.222 0.000 2.436 917 H HA -0.003 4.553 4.556 0.000 0.000 0.294 917 H C 1.781 177.183 175.328 0.124 0.000 1.048 917 H CA 1.664 57.804 56.048 0.153 0.000 1.353 917 H CB 0.173 29.997 29.762 0.103 0.000 1.414 917 H HN 0.430 nan 8.280 nan 0.000 0.536 918 E N -0.678 119.581 120.200 0.098 0.000 2.077 918 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 918 E C 1.697 178.224 176.600 -0.121 0.000 0.989 918 E CA 1.101 57.516 56.400 0.024 0.000 0.800 918 E CB -0.224 29.595 29.700 0.198 0.000 0.746 918 E HN 0.438 nan 8.360 nan 0.000 0.452 919 F N 1.166 120.905 119.950 -0.352 0.000 2.075 919 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 919 F C 2.086 177.724 175.800 -0.270 0.000 1.113 919 F CA 1.087 58.626 58.000 -0.768 0.000 1.218 919 F CB -0.538 38.135 39.000 -0.545 0.000 0.984 919 F HN -0.201 nan 8.300 nan 0.000 0.472 920 V N 0.638 120.474 119.914 -0.130 0.000 2.282 920 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 920 V C 2.529 178.589 176.094 -0.057 0.000 1.057 920 V CA 2.651 64.925 62.300 -0.043 0.000 1.032 920 V CB -1.474 30.378 31.823 0.048 0.000 0.645 920 V HN 0.668 nan 8.190 nan 0.000 0.447 921 T N -2.867 111.556 114.554 -0.218 0.000 3.160 921 T HA -0.055 4.295 4.350 -0.000 0.000 0.257 921 T C 1.309 175.947 174.700 -0.103 0.000 1.147 921 T CA 0.687 62.692 62.100 -0.159 0.000 1.064 921 T CB -0.275 68.435 68.868 -0.262 0.000 0.949 921 T HN 0.480 nan 8.240 nan 0.000 0.526 922 K N 1.021 121.323 120.400 -0.164 0.000 2.387 922 K HA 0.212 4.532 4.320 -0.000 0.000 0.198 922 K C -0.000 176.597 176.600 -0.004 0.000 1.022 922 K CA -0.199 56.046 56.287 -0.070 0.000 1.128 922 K CB 0.271 32.733 32.500 -0.063 0.000 0.853 922 K HN 0.356 nan 8.250 nan 0.000 0.523 923 N N 0.462 119.120 118.700 -0.070 0.000 2.424 923 N HA 0.097 4.837 4.740 -0.000 0.000 0.271 923 N C 0.075 175.514 175.510 -0.120 0.000 0.985 923 N CA -0.086 52.894 53.050 -0.117 0.000 0.921 923 N CB 1.998 40.325 38.487 -0.267 0.000 1.149 923 N HN -0.134 nan 8.380 nan 0.000 0.492 924 S N 1.950 117.564 115.700 -0.143 0.000 2.383 924 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 924 S C 1.987 176.525 174.600 -0.102 0.000 1.030 924 S CA 1.256 59.395 58.200 -0.102 0.000 1.002 924 S CB -0.126 63.012 63.200 -0.104 0.000 0.829 924 S HN 0.697 nan 8.310 nan 0.000 0.467 925 M N -1.430 118.029 119.600 -0.234 0.000 2.549 925 M HA 0.022 4.502 4.480 -0.000 0.000 0.260 925 M C 0.194 176.462 176.300 -0.055 0.000 1.076 925 M CA 1.144 56.301 55.300 -0.239 0.000 1.090 925 M CB -0.199 32.116 32.600 -0.475 0.000 1.418 925 M HN 0.267 nan 8.290 nan 0.000 0.486 926 W N 2.793 124.119 121.300 0.044 0.000 2.300 926 W HA 0.347 5.007 4.660 0.000 0.000 0.366 926 W C -0.376 176.127 176.519 -0.027 0.000 0.913 926 W CA -1.078 56.301 57.345 0.057 0.000 2.200 926 W CB -0.900 28.616 29.460 0.093 0.000 1.182 926 W HN 0.494 nan 8.180 nan 0.000 0.586 927 N N -0.988 117.788 118.700 0.127 0.000 3.344 927 N HA 0.164 4.904 4.740 -0.000 0.000 0.296 927 N C 0.764 176.263 175.510 -0.018 0.000 1.571 927 N CA -0.638 52.433 53.050 0.035 0.000 0.844 927 N CB 0.303 38.787 38.487 -0.005 0.000 1.718 927 N HN -0.126 nan 8.380 nan 0.000 0.589 928 K N -1.340 118.980 120.400 -0.133 0.000 2.362 928 K HA -0.039 4.281 4.320 -0.000 0.000 0.200 928 K C -0.216 176.285 176.600 -0.166 0.000 1.046 928 K CA 1.282 57.411 56.287 -0.263 0.000 0.952 928 K CB -0.268 31.788 32.500 -0.741 0.000 0.753 928 K HN 0.352 nan 8.250 nan 0.000 0.466 929 D N 1.834 122.168 120.400 -0.110 0.000 2.218 929 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 929 D C 1.568 177.832 176.300 -0.059 0.000 0.976 929 D CA 1.621 55.572 54.000 -0.081 0.000 0.853 929 D CB 0.031 40.793 40.800 -0.063 0.000 0.939 929 D HN 0.485 nan 8.370 nan 0.000 0.481 930 S N -0.650 115.027 115.700 -0.039 0.000 2.577 930 S HA 0.122 4.592 4.470 -0.000 0.000 0.219 930 S C 1.089 175.681 174.600 -0.014 0.000 0.962 930 S CA -0.279 57.913 58.200 -0.013 0.000 0.921 930 S CB 0.100 63.307 63.200 0.012 0.000 0.789 930 S HN 0.164 nan 8.310 nan 0.000 0.497 931 E N 1.837 122.001 120.200 -0.059 0.000 2.476 931 E HA 0.196 4.546 4.350 -0.000 0.000 0.196 931 E C -0.526 175.937 176.600 -0.228 0.000 1.029 931 E CA -0.444 55.893 56.400 -0.105 0.000 0.896 931 E CB -0.063 29.595 29.700 -0.071 0.000 1.012 931 E HN 0.434 nan 8.360 nan 0.000 0.475 932 N N 1.349 119.934 118.700 -0.191 0.000 2.688 932 N HA -0.157 4.583 4.740 -0.000 0.000 0.258 932 N C -0.468 174.801 175.510 -0.401 0.000 1.016 932 N CA 0.286 53.183 53.050 -0.255 0.000 0.747 932 N CB -0.926 37.356 38.487 -0.342 0.000 0.895 932 N HN -0.003 nan 8.380 nan 0.000 0.543 933 V N 0.834 120.577 119.914 -0.285 0.000 2.617 933 V HA -0.002 4.118 4.120 -0.000 0.000 0.304 933 V C 0.760 176.666 176.094 -0.312 0.000 1.040 933 V CA 0.771 62.873 62.300 -0.330 0.000 1.149 933 V CB 1.040 32.736 31.823 -0.211 0.000 0.914 933 V HN 0.340 nan 8.190 nan 0.000 0.487 934 D N 3.411 123.524 120.400 -0.477 0.000 2.886 934 D HA 0.234 4.874 4.640 -0.000 0.000 0.216 934 D C -0.910 175.155 176.300 -0.391 0.000 1.256 934 D CA -0.428 53.407 54.000 -0.275 0.000 0.844 934 D CB 1.685 42.355 40.800 -0.216 0.000 1.669 934 D HN 0.439 nan 8.370 nan 0.000 0.513 935 Y N 0.927 121.214 120.300 -0.023 0.000 2.555 935 Y HA 0.286 4.836 4.550 0.000 0.000 0.259 935 Y C 1.560 177.487 175.900 0.045 0.000 1.179 935 Y CA -0.249 57.844 58.100 -0.012 0.000 1.230 935 Y CB 1.166 39.628 38.460 0.003 0.000 1.146 935 Y HN 0.374 nan 8.280 nan 0.000 0.526 936 G N 0.350 109.263 108.800 0.188 0.000 2.484 936 G HA2 0.349 4.309 3.960 -0.000 0.000 0.235 936 G HA3 0.349 4.309 3.960 -0.000 0.000 0.235 936 G C 0.882 175.899 174.900 0.195 0.000 1.282 936 G CA 0.416 45.633 45.100 0.194 0.000 0.857 936 G HN 0.619 nan 8.290 nan 0.000 0.571 937 G N 0.412 109.318 108.800 0.176 0.000 2.574 937 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.286 937 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.286 937 G C 0.784 175.798 174.900 0.190 0.000 1.212 937 G CA 0.317 45.531 45.100 0.190 0.000 0.979 937 G HN 1.170 nan 8.290 nan 0.000 0.557 938 L N 1.204 122.567 121.223 0.233 0.000 2.783 938 L HA 0.219 4.559 4.340 -0.000 0.000 0.236 938 L C 1.279 178.340 176.870 0.318 0.000 1.225 938 L CA 0.077 55.056 54.840 0.232 0.000 1.026 938 L CB 0.071 42.243 42.059 0.189 0.000 1.314 938 L HN 0.471 nan 8.230 nan 0.000 0.489 939 Q N 0.781 120.703 119.800 0.203 0.000 3.159 939 Q HA 0.077 4.417 4.340 -0.000 0.000 0.280 939 Q C 1.290 177.206 176.000 -0.140 0.000 1.403 939 Q CA -0.102 55.588 55.803 -0.189 0.000 0.957 939 Q CB 0.259 28.810 28.738 -0.312 0.000 1.729 939 Q HN 0.610 nan 8.270 nan 0.000 0.551 940 L N -0.036 121.189 121.223 0.002 0.000 2.131 940 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 940 L C 1.492 178.489 176.870 0.212 0.000 1.092 940 L CA 1.392 56.333 54.840 0.168 0.000 0.759 940 L CB -0.061 42.055 42.059 0.095 0.000 0.903 940 L HN 0.499 nan 8.230 nan 0.000 0.435 941 Q N -0.638 119.112 119.800 -0.083 0.000 2.204 941 Q HA 0.213 4.553 4.340 -0.000 0.000 0.209 941 Q C 1.042 176.826 176.000 -0.359 0.000 0.861 941 Q CA 0.444 56.206 55.803 -0.067 0.000 0.971 941 Q CB 1.002 29.656 28.738 -0.140 0.000 1.095 941 Q HN 0.505 nan 8.270 nan 0.000 0.486 942 G N -0.523 107.788 108.800 -0.816 0.000 2.159 942 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.227 942 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.227 942 G C 0.276 174.665 174.900 -0.853 0.000 0.986 942 G CA -0.343 44.004 45.100 -1.255 0.000 0.651 942 G HN 0.752 nan 8.290 nan 0.000 0.523 943 G N -1.700 106.551 108.800 -0.916 0.000 2.353 943 G HA2 0.547 4.506 3.960 -0.000 0.000 0.308 943 G HA3 0.547 4.506 3.960 -0.000 0.000 0.308 943 G C -1.079 173.182 174.900 -1.066 0.000 1.418 943 G CA -0.312 44.238 45.100 -0.917 0.000 0.966 943 G HN 0.974 nan 8.290 nan 0.000 0.638 944 F N -0.874 118.801 119.950 -0.459 0.000 2.603 944 F HA 0.821 5.348 4.527 0.000 0.000 0.317 944 F C 0.228 175.706 175.800 -0.537 0.000 1.066 944 F CA -1.002 56.665 58.000 -0.554 0.000 0.941 944 F CB 2.352 40.849 39.000 -0.839 0.000 1.291 944 F HN 0.372 nan 8.300 nan 0.000 0.472 945 L N 2.450 123.476 121.223 -0.330 0.000 2.343 945 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 945 L C -0.582 176.075 176.870 -0.354 0.000 0.996 945 L CA -0.904 53.748 54.840 -0.314 0.000 0.831 945 L CB 1.862 43.718 42.059 -0.338 0.000 1.232 945 L HN 0.609 nan 8.230 nan 0.000 0.413 946 K N 1.521 121.771 120.400 -0.251 0.000 2.144 946 K HA 0.446 4.766 4.320 -0.000 0.000 0.270 946 K C -1.277 175.403 176.600 0.134 0.000 1.005 946 K CA -0.625 55.600 56.287 -0.103 0.000 0.932 946 K CB 1.039 33.567 32.500 0.046 0.000 1.021 946 K HN 0.165 nan 8.250 nan 0.000 0.462 947 Y N 1.303 121.662 120.300 0.098 0.000 2.320 947 Y HA 0.308 4.858 4.550 0.000 0.000 0.334 947 Y C 0.334 176.271 175.900 0.060 0.000 1.055 947 Y CA -1.367 56.775 58.100 0.070 0.000 1.143 947 Y CB 1.538 40.065 38.460 0.111 0.000 1.193 947 Y HN 0.506 nan 8.280 nan 0.000 0.477 948 V N 0.576 120.600 119.914 0.182 0.000 3.001 948 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 948 V C -0.443 175.672 176.094 0.035 0.000 1.099 948 V CA -1.317 61.041 62.300 0.097 0.000 0.989 948 V CB 2.071 33.938 31.823 0.074 0.000 1.040 948 V HN 0.591 nan 8.190 nan 0.000 0.434 949 N N 1.956 120.666 118.700 0.016 0.000 2.518 949 N HA 0.621 5.361 4.740 -0.000 0.000 0.266 949 N C -0.316 175.172 175.510 -0.036 0.000 1.196 949 N CA 0.245 53.282 53.050 -0.022 0.000 0.947 949 N CB 1.376 39.852 38.487 -0.020 0.000 1.098 949 N HN 1.026 nan 8.380 nan 0.000 0.450 950 S N -0.100 115.558 115.700 -0.070 0.000 2.537 950 S HA 0.225 4.695 4.470 -0.000 0.000 0.271 950 S C -0.323 174.232 174.600 -0.074 0.000 1.148 950 S CA -0.711 57.450 58.200 -0.064 0.000 0.868 950 S CB 0.828 63.980 63.200 -0.080 0.000 1.115 950 S HN 0.359 nan 8.310 nan 0.000 0.461 951 D N 2.410 122.787 120.400 -0.038 0.000 2.310 951 D HA 0.041 4.681 4.640 -0.000 0.000 0.212 951 D C 1.631 177.921 176.300 -0.017 0.000 0.965 951 D CA 0.855 54.840 54.000 -0.025 0.000 0.879 951 D CB 0.038 40.838 40.800 -0.001 0.000 0.921 951 D HN 0.504 nan 8.370 nan 0.000 0.510 952 L N -0.044 121.164 121.223 -0.025 0.000 2.341 952 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 952 L C 1.053 177.928 176.870 0.007 0.000 1.115 952 L CA 0.970 55.827 54.840 0.028 0.000 0.820 952 L CB 0.004 42.045 42.059 -0.029 0.000 0.944 952 L HN 0.033 nan 8.230 nan 0.000 0.452 953 T N -5.290 109.139 114.554 -0.207 0.000 3.741 953 T HA 0.216 4.566 4.350 -0.000 0.000 0.242 953 T C 0.739 174.952 174.700 -0.812 0.000 1.042 953 T CA -0.621 61.124 62.100 -0.591 0.000 1.278 953 T CB 0.314 68.868 68.868 -0.523 0.000 0.994 953 T HN 0.005 nan 8.240 nan 0.000 0.594 954 K N 0.673 120.810 120.400 -0.439 0.000 2.160 954 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 954 K C 1.397 177.842 176.600 -0.259 0.000 1.047 954 K CA 1.969 58.106 56.287 -0.251 0.000 0.930 954 K CB -0.509 31.947 32.500 -0.073 0.000 0.720 954 K HN 0.799 nan 8.250 nan 0.000 0.450 955 Y N -1.211 119.081 120.300 -0.013 0.000 2.639 955 Y HA 0.093 4.643 4.550 -0.000 0.000 0.297 955 Y C 1.697 177.569 175.900 -0.047 0.000 1.151 955 Y CA 0.405 58.488 58.100 -0.028 0.000 1.335 955 Y CB -0.435 38.013 38.460 -0.019 0.000 0.994 955 Y HN -0.076 nan 8.280 nan 0.000 0.548 956 A N -0.362 122.262 122.820 -0.327 0.000 2.430 956 A HA 0.205 4.525 4.320 -0.000 0.000 0.243 956 A C 0.353 177.871 177.584 -0.111 0.000 1.254 956 A CA -0.503 51.439 52.037 -0.159 0.000 0.914 956 A CB -0.421 18.436 19.000 -0.238 0.000 0.998 956 A HN 0.288 nan 8.150 nan 0.000 0.515 957 N N 0.667 119.297 118.700 -0.117 0.000 2.415 957 N HA 0.336 5.076 4.740 -0.000 0.000 0.248 957 N C -0.258 175.248 175.510 -0.007 0.000 1.271 957 N CA 0.450 53.465 53.050 -0.058 0.000 0.913 957 N CB 0.866 39.315 38.487 -0.063 0.000 1.129 957 N HN 0.182 nan 8.380 nan 0.000 0.444 958 S N -0.596 115.120 115.700 0.026 0.000 2.540 958 S HA 0.285 4.755 4.470 -0.000 0.000 0.275 958 S C -0.585 174.024 174.600 0.014 0.000 1.123 958 S CA -0.754 57.488 58.200 0.070 0.000 0.907 958 S CB 0.793 64.080 63.200 0.145 0.000 1.081 958 S HN 0.353 nan 8.310 nan 0.000 0.476 959 D N 2.277 122.655 120.400 -0.036 0.000 2.340 959 D HA 0.142 4.782 4.640 -0.000 0.000 0.220 959 D C 0.181 176.142 176.300 -0.565 0.000 1.039 959 D CA 0.512 54.327 54.000 -0.308 0.000 0.866 959 D CB 0.210 40.756 40.800 -0.423 0.000 0.913 959 D HN 0.545 nan 8.370 nan 0.000 0.523 960 W N 0.194 121.520 121.300 0.045 0.000 4.319 960 W HA 0.272 4.932 4.660 -0.000 0.000 0.636 960 W C 0.633 177.173 176.519 0.035 0.000 3.336 960 W CA -0.434 56.937 57.345 0.044 0.000 1.129 960 W CB 0.041 29.536 29.460 0.057 0.000 2.272 960 W HN -0.428 nan 8.180 nan 0.000 0.401 961 R N 0.682 121.368 120.500 0.310 0.000 3.422 961 R HA -0.185 4.155 4.340 -0.000 0.000 0.267 961 R C -0.946 175.414 176.300 0.100 0.000 1.074 961 R CA 0.135 56.326 56.100 0.153 0.000 0.718 961 R CB -2.654 27.725 30.300 0.133 0.000 1.157 961 R HN 0.205 nan 8.270 nan 0.000 0.440 962 L N 1.451 122.756 121.223 0.138 0.000 2.385 962 L HA 0.211 4.551 4.340 -0.000 0.000 0.281 962 L C 0.907 177.775 176.870 -0.004 0.000 1.106 962 L CA 0.550 55.442 54.840 0.088 0.000 0.856 962 L CB 0.393 42.544 42.059 0.154 0.000 1.186 962 L HN 0.098 nan 8.230 nan 0.000 0.453 963 M N 3.719 123.293 119.600 -0.044 0.000 2.478 963 M HA 0.336 4.816 4.480 -0.000 0.000 0.327 963 M C 0.389 176.599 176.300 -0.149 0.000 1.187 963 M CA -0.549 54.662 55.300 -0.148 0.000 1.022 963 M CB 1.336 33.834 32.600 -0.171 0.000 1.629 963 M HN 0.552 nan 8.290 nan 0.000 0.461 964 N N 0.207 118.763 118.700 -0.240 0.000 2.782 964 N HA -0.138 4.602 4.740 -0.000 0.000 0.251 964 N C -0.821 174.605 175.510 -0.140 0.000 1.101 964 N CA 0.495 53.396 53.050 -0.248 0.000 0.764 964 N CB -1.106 37.237 38.487 -0.240 0.000 1.122 964 N HN 0.604 nan 8.380 nan 0.000 0.561 965 R N 1.389 121.823 120.500 -0.110 0.000 4.138 965 R HA 0.150 4.490 4.340 -0.000 0.000 0.206 965 R C 1.113 177.361 176.300 -0.087 0.000 1.667 965 R CA 0.168 56.229 56.100 -0.066 0.000 1.481 965 R CB -0.611 29.672 30.300 -0.027 0.000 1.388 965 R HN 0.444 nan 8.270 nan 0.000 0.776 966 T N -3.261 111.233 114.554 -0.101 0.000 2.867 966 T HA 0.401 4.751 4.350 -0.000 0.000 0.286 966 T C 1.645 176.230 174.700 -0.192 0.000 1.022 966 T CA -0.148 61.880 62.100 -0.119 0.000 0.933 966 T CB 1.034 69.850 68.868 -0.086 0.000 1.280 966 T HN 0.192 nan 8.240 nan 0.000 0.566 967 A N 0.607 123.272 122.820 -0.258 0.000 1.986 967 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 967 A C 2.321 179.706 177.584 -0.332 0.000 1.171 967 A CA 2.263 53.974 52.037 -0.543 0.000 0.640 967 A CB -1.732 17.039 19.000 -0.383 0.000 0.811 967 A HN 1.076 nan 8.150 nan 0.000 0.451 968 T N -4.177 110.300 114.554 -0.128 0.000 3.107 968 T HA 0.189 4.539 4.350 -0.000 0.000 0.249 968 T C 0.507 175.199 174.700 -0.014 0.000 1.096 968 T CA 0.655 62.734 62.100 -0.035 0.000 1.012 968 T CB -0.156 68.731 68.868 0.031 0.000 0.977 968 T HN 0.336 nan 8.240 nan 0.000 0.527 969 N N -0.125 118.547 118.700 -0.046 0.000 2.595 969 N HA 0.356 5.096 4.740 -0.000 0.000 0.291 969 N C 0.552 176.050 175.510 -0.020 0.000 1.706 969 N CA -0.297 52.747 53.050 -0.010 0.000 0.867 969 N CB -0.243 38.248 38.487 0.006 0.000 1.414 969 N HN 0.256 nan 8.380 nan 0.000 0.492 970 I N -0.096 120.455 120.570 -0.032 0.000 2.208 970 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 970 I C 1.256 177.392 176.117 0.033 0.000 1.097 970 I CA 1.478 62.775 61.300 -0.006 0.000 1.363 970 I CB 0.079 38.086 38.000 0.012 0.000 1.051 970 I HN 0.293 nan 8.210 nan 0.000 0.413 971 D N 0.228 120.651 120.400 0.039 0.000 2.340 971 D HA 0.057 4.697 4.640 -0.000 0.000 0.220 971 D C 1.566 177.894 176.300 0.047 0.000 1.039 971 D CA 0.650 54.680 54.000 0.049 0.000 0.866 971 D CB -0.234 40.596 40.800 0.050 0.000 0.913 971 D HN 0.330 nan 8.370 nan 0.000 0.523 972 G N 0.765 109.590 108.800 0.041 0.000 2.166 972 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.260 972 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.260 972 G C 0.951 175.883 174.900 0.053 0.000 0.986 972 G CA 0.651 45.777 45.100 0.044 0.000 0.683 972 G HN 0.484 nan 8.290 nan 0.000 0.527 973 K N -0.384 120.048 120.400 0.053 0.000 2.404 973 K HA 0.157 4.477 4.320 -0.000 0.000 0.194 973 K C 1.021 177.661 176.600 0.067 0.000 1.023 973 K CA 0.071 56.391 56.287 0.055 0.000 1.094 973 K CB 0.153 32.680 32.500 0.046 0.000 0.841 973 K HN 0.386 nan 8.250 nan 0.000 0.523 974 N N -1.004 117.744 118.700 0.081 0.000 3.255 974 N HA 0.075 4.815 4.740 -0.000 0.000 0.359 974 N C 0.084 175.702 175.510 0.181 0.000 1.463 974 N CA -0.430 52.685 53.050 0.109 0.000 0.695 974 N CB -0.021 38.520 38.487 0.091 0.000 1.581 974 N HN -0.165 nan 8.380 nan 0.000 0.622 975 Y N 0.257 120.578 120.300 0.035 0.000 2.353 975 Y HA 0.293 4.843 4.550 0.000 0.000 0.294 975 Y C 1.043 177.036 175.900 0.156 0.000 1.135 975 Y CA 1.342 59.472 58.100 0.050 0.000 1.176 975 Y CB -0.366 38.077 38.460 -0.029 0.000 1.124 975 Y HN 0.767 nan 8.280 nan 0.000 0.537 976 G N -0.279 108.590 108.800 0.115 0.000 2.796 976 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.571 976 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.571 976 G C 0.239 175.176 174.900 0.062 0.000 1.370 976 G CA -0.534 44.584 45.100 0.030 0.000 0.856 976 G HN 0.781 nan 8.290 nan 0.000 0.538 977 G N -0.540 108.246 108.800 -0.022 0.000 2.606 977 G HA2 0.685 4.645 3.960 -0.000 0.000 0.252 977 G HA3 0.685 4.645 3.960 -0.000 0.000 0.252 977 G C 0.691 175.360 174.900 -0.385 0.000 1.206 977 G CA 0.770 45.835 45.100 -0.058 0.000 0.861 977 G HN 2.132 nan 8.290 nan 0.000 0.561 978 A N 0.108 122.678 122.820 -0.418 0.000 2.451 978 A HA 0.393 4.713 4.320 -0.000 0.000 0.266 978 A C 1.242 178.505 177.584 -0.535 0.000 1.119 978 A CA 0.097 51.673 52.037 -0.767 0.000 0.786 978 A CB 0.527 19.370 19.000 -0.260 0.000 1.061 978 A HN 0.788 nan 8.150 nan 0.000 0.503 979 E N 2.480 122.294 120.200 -0.644 0.000 2.110 979 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 979 E C -0.447 175.712 176.600 -0.736 0.000 0.988 979 E CA 1.195 57.207 56.400 -0.646 0.000 0.804 979 E CB -0.160 29.073 29.700 -0.779 0.000 0.745 979 E HN 0.627 nan 8.360 nan 0.000 0.458 980 F N -0.136 119.444 119.950 -0.617 0.000 2.404 980 F HA 0.310 4.837 4.527 -0.000 0.000 0.339 980 F C 0.785 176.153 175.800 -0.721 0.000 1.105 980 F CA -0.580 56.838 58.000 -0.971 0.000 1.087 980 F CB 1.531 39.348 39.000 -1.972 0.000 1.143 980 F HN -0.003 nan 8.300 nan 0.000 0.491 981 L N 2.603 123.677 121.223 -0.248 0.000 2.692 981 L HA 0.575 4.915 4.340 -0.000 0.000 0.175 981 L C -1.169 175.781 176.870 0.133 0.000 1.112 981 L CA 0.606 55.456 54.840 0.017 0.000 0.908 981 L CB 0.369 42.381 42.059 -0.077 0.000 1.672 981 L HN 0.425 nan 8.230 nan 0.000 0.500 982 L N -0.474 120.728 121.223 -0.036 0.000 2.472 982 L HA 0.703 5.043 4.340 -0.000 0.000 0.260 982 L C 0.361 177.027 176.870 -0.340 0.000 0.963 982 L CA -0.444 54.273 54.840 -0.206 0.000 0.829 982 L CB 1.840 43.679 42.059 -0.366 0.000 1.348 982 L HN 0.455 nan 8.230 nan 0.000 0.408 983 A N 2.680 125.224 122.820 -0.461 0.000 5.585 983 A HA -0.233 4.087 4.320 -0.000 0.000 0.295 983 A C -0.174 177.150 177.584 -0.433 0.000 1.985 983 A CA 0.906 52.551 52.037 -0.652 0.000 0.716 983 A CB -1.093 17.035 19.000 -1.454 0.000 1.237 983 A HN 0.790 nan 8.150 nan 0.000 0.371 984 N N 1.872 120.251 118.700 -0.535 0.000 2.420 984 N HA 0.399 5.139 4.740 -0.000 0.000 0.249 984 N C -1.132 174.140 175.510 -0.397 0.000 1.033 984 N CA 0.042 52.728 53.050 -0.607 0.000 0.944 984 N CB 0.877 38.709 38.487 -1.092 0.000 1.113 984 N HN 0.622 nan 8.380 nan 0.000 0.502 985 D N 2.467 122.748 120.400 -0.199 0.000 2.336 985 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 985 D C 0.218 176.581 176.300 0.105 0.000 1.213 985 D CA -0.323 53.608 54.000 -0.115 0.000 0.870 985 D CB 0.596 41.253 40.800 -0.237 0.000 1.076 985 D HN 0.359 nan 8.370 nan 0.000 0.483 986 I N 2.828 123.430 120.570 0.054 0.000 2.648 986 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 986 I C 0.634 176.728 176.117 -0.037 0.000 1.153 986 I CA 0.064 61.380 61.300 0.027 0.000 1.426 986 I CB 0.594 38.500 38.000 -0.158 0.000 1.381 986 I HN 0.412 nan 8.210 nan 0.000 0.571 987 D N 5.818 126.226 120.400 0.013 0.000 2.470 987 D HA 0.049 4.689 4.640 -0.000 0.000 0.226 987 D C 0.545 176.836 176.300 -0.016 0.000 1.196 987 D CA 0.055 54.062 54.000 0.012 0.000 0.979 987 D CB -0.121 40.744 40.800 0.109 0.000 1.059 987 D HN 0.384 nan 8.370 nan 0.000 0.515 988 N N 0.500 119.157 118.700 -0.071 0.000 2.515 988 N HA -0.086 4.654 4.740 -0.000 0.000 0.191 988 N C 1.348 176.802 175.510 -0.094 0.000 1.182 988 N CA 0.282 53.280 53.050 -0.087 0.000 0.879 988 N CB 0.343 38.758 38.487 -0.118 0.000 0.984 988 N HN 0.295 nan 8.380 nan 0.000 0.453 989 S N -0.884 114.777 115.700 -0.065 0.000 2.548 989 S HA 0.029 4.499 4.470 -0.000 0.000 0.215 989 S C 0.594 175.037 174.600 -0.262 0.000 0.976 989 S CA -0.400 57.762 58.200 -0.063 0.000 0.908 989 S CB 0.001 63.254 63.200 0.089 0.000 0.781 989 S HN 0.158 nan 8.310 nan 0.000 0.519 990 N N 2.928 121.481 118.700 -0.243 0.000 2.411 990 N HA 0.280 5.020 4.740 -0.000 0.000 0.259 990 N C -2.231 172.973 175.510 -0.509 0.000 1.103 990 N CA -1.920 50.823 53.050 -0.513 0.000 0.954 990 N CB 1.516 39.967 38.487 -0.060 0.000 1.085 990 N HN -0.016 nan 8.380 nan 0.000 0.485 991 P HA -0.123 nan 4.420 nan 0.000 0.219 991 P C 1.305 178.500 177.300 -0.175 0.000 1.146 991 P CA 0.677 63.547 63.100 -0.383 0.000 0.808 991 P CB 0.481 31.963 31.700 -0.363 0.000 0.779 992 V N -0.872 118.958 119.914 -0.141 0.000 2.453 992 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 992 V C 2.389 178.405 176.094 -0.129 0.000 1.048 992 V CA 1.497 63.755 62.300 -0.069 0.000 1.049 992 V CB -0.983 30.851 31.823 0.018 0.000 0.672 992 V HN -0.024 nan 8.190 nan 0.000 0.457 993 V N -0.264 119.562 119.914 -0.145 0.000 2.427 993 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 993 V C 2.443 178.513 176.094 -0.040 0.000 1.051 993 V CA 1.841 64.068 62.300 -0.122 0.000 1.048 993 V CB -0.730 31.065 31.823 -0.048 0.000 0.666 993 V HN 0.589 nan 8.190 nan 0.000 0.456 994 Q N 0.012 119.769 119.800 -0.071 0.000 2.084 994 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 994 Q C 2.471 178.482 176.000 0.018 0.000 0.978 994 Q CA 1.820 57.597 55.803 -0.044 0.000 0.844 994 Q CB -0.442 28.223 28.738 -0.121 0.000 0.898 994 Q HN 0.670 nan 8.270 nan 0.000 0.426 995 A N 1.213 124.043 122.820 0.015 0.000 1.940 995 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 995 A C 1.975 179.635 177.584 0.125 0.000 1.176 995 A CA 1.802 53.887 52.037 0.080 0.000 0.631 995 A CB -0.461 18.603 19.000 0.107 0.000 0.814 995 A HN 0.324 nan 8.150 nan 0.000 0.446 996 E N 0.471 120.720 120.200 0.082 0.000 2.106 996 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 996 E C 1.796 178.580 176.600 0.307 0.000 0.984 996 E CA 1.557 58.038 56.400 0.135 0.000 0.806 996 E CB -0.259 29.430 29.700 -0.018 0.000 0.750 996 E HN 0.568 nan 8.360 nan 0.000 0.458 997 E N 0.199 120.580 120.200 0.303 0.000 2.110 997 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 997 E C 2.125 179.072 176.600 0.579 0.000 0.988 997 E CA 0.974 57.681 56.400 0.511 0.000 0.804 997 E CB -0.469 29.460 29.700 0.382 0.000 0.745 997 E HN 0.311 nan 8.360 nan 0.000 0.458 998 L N 1.751 123.175 121.223 0.336 0.000 2.056 998 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 998 L C 1.939 178.947 176.870 0.230 0.000 1.078 998 L CA 1.892 56.850 54.840 0.195 0.000 0.749 998 L CB -0.795 41.315 42.059 0.085 0.000 0.901 998 L HN 0.011 nan 8.230 nan 0.000 0.433 999 N N -1.352 117.549 118.700 0.334 0.000 2.061 999 N HA -0.310 4.430 4.740 -0.000 0.000 0.193 999 N C 1.696 177.598 175.510 0.653 0.000 1.030 999 N CA 1.962 55.296 53.050 0.474 0.000 0.856 999 N CB -0.488 38.264 38.487 0.441 0.000 1.023 999 N HN 0.558 nan 8.380 nan 0.000 0.424 1000 W N 0.837 122.377 121.300 0.400 0.000 2.358 1000 W HA -0.043 4.617 4.660 -0.000 0.000 0.303 1000 W C 1.969 178.615 176.519 0.212 0.000 1.208 1000 W CA 0.700 58.212 57.345 0.278 0.000 1.274 1000 W CB -1.029 28.536 29.460 0.175 0.000 1.138 1000 W HN 0.236 nan 8.180 nan 0.000 0.515 1001 L N 0.276 121.584 121.223 0.141 0.000 2.012 1001 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 1001 L C 2.454 179.148 176.870 -0.295 0.000 1.073 1001 L CA 2.435 57.054 54.840 -0.367 0.000 0.748 1001 L CB -1.789 39.940 42.059 -0.549 0.000 0.891 1001 L HN 0.197 nan 8.230 nan 0.000 0.431 1002 Y N -1.385 118.712 120.300 -0.339 0.000 2.165 1002 Y HA -0.358 4.192 4.550 -0.000 0.000 0.286 1002 Y C 2.546 178.318 175.900 -0.213 0.000 1.155 1002 Y CA 2.170 60.035 58.100 -0.392 0.000 1.164 1002 Y CB -0.616 37.673 38.460 -0.285 0.000 0.978 1002 Y HN 0.405 nan 8.280 nan 0.000 0.513 1003 Y N 0.308 120.557 120.300 -0.085 0.000 2.128 1003 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 1003 Y C 2.024 177.877 175.900 -0.079 0.000 1.154 1003 Y CA 2.100 60.123 58.100 -0.129 0.000 1.149 1003 Y CB -0.610 38.038 38.460 0.314 0.000 0.976 1003 Y HN 0.165 nan 8.280 nan 0.000 0.505 1004 L N -0.828 120.342 121.223 -0.088 0.000 2.017 1004 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 1004 L C 2.299 179.137 176.870 -0.053 0.000 1.073 1004 L CA 1.177 55.909 54.840 -0.179 0.000 0.745 1004 L CB -0.542 41.269 42.059 -0.412 0.000 0.894 1004 L HN 0.264 nan 8.230 nan 0.000 0.432 1005 M N -0.747 118.754 119.600 -0.165 0.000 2.557 1005 M HA -0.060 4.420 4.480 -0.000 0.000 0.259 1005 M C 0.687 176.903 176.300 -0.140 0.000 1.086 1005 M CA 1.185 56.433 55.300 -0.086 0.000 1.096 1005 M CB -0.758 31.792 32.600 -0.083 0.000 1.424 1005 M HN 0.306 nan 8.290 nan 0.000 0.488 1006 N N -1.048 117.478 118.700 -0.290 0.000 2.365 1006 N HA 0.065 4.805 4.740 -0.000 0.000 0.257 1006 N C 0.774 176.121 175.510 -0.272 0.000 1.287 1006 N CA -0.022 52.828 53.050 -0.333 0.000 0.882 1006 N CB 0.389 38.488 38.487 -0.647 0.000 1.250 1006 N HN 0.147 nan 8.380 nan 0.000 0.507 1007 F N 1.939 121.678 119.950 -0.353 0.000 2.171 1007 F HA 0.003 4.530 4.527 0.000 0.000 0.300 1007 F C 2.124 177.740 175.800 -0.307 0.000 1.090 1007 F CA 1.543 59.276 58.000 -0.446 0.000 1.293 1007 F CB -0.195 38.617 39.000 -0.312 0.000 1.013 1007 F HN 0.041 nan 8.300 nan 0.000 0.486 1008 G N -1.138 107.541 108.800 -0.202 0.000 2.403 1008 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 1008 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 1008 G C 1.643 176.407 174.900 -0.228 0.000 1.154 1008 G CA 1.169 46.124 45.100 -0.242 0.000 0.784 1008 G HN 0.377 nan 8.290 nan 0.000 0.538 1009 T N 1.354 115.800 114.554 -0.179 0.000 2.737 1009 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 1009 T C 2.400 177.029 174.700 -0.118 0.000 1.038 1009 T CA 1.009 63.037 62.100 -0.120 0.000 1.144 1009 T CB -0.142 68.669 68.868 -0.096 0.000 0.866 1009 T HN 0.222 nan 8.240 nan 0.000 0.434 1010 I N 1.513 121.975 120.570 -0.180 0.000 2.202 1010 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 1010 I C 2.820 178.892 176.117 -0.075 0.000 1.091 1010 I CA 1.571 62.824 61.300 -0.079 0.000 1.368 1010 I CB -0.433 37.494 38.000 -0.121 0.000 1.058 1010 I HN 0.378 nan 8.210 nan 0.000 0.410 1011 T N -3.095 111.265 114.554 -0.324 0.000 3.065 1011 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 1011 T C 1.371 175.950 174.700 -0.202 0.000 1.099 1011 T CA 0.622 62.559 62.100 -0.272 0.000 1.063 1011 T CB 0.382 68.860 68.868 -0.651 0.000 0.948 1011 T HN 0.380 nan 8.240 nan 0.000 0.506 1012 G N 0.621 109.292 108.800 -0.214 0.000 3.815 1012 G HA2 0.196 4.156 3.960 -0.000 0.000 0.265 1012 G HA3 0.196 4.156 3.960 -0.000 0.000 0.265 1012 G C 0.159 175.010 174.900 -0.083 0.000 1.026 1012 G CA -0.535 44.486 45.100 -0.131 0.000 0.868 1012 G HN 0.287 nan 8.290 nan 0.000 0.476 1013 N N 0.769 119.427 118.700 -0.070 0.000 2.716 1013 N HA -0.179 4.561 4.740 -0.000 0.000 0.250 1013 N C -0.623 174.858 175.510 -0.049 0.000 1.033 1013 N CA 1.156 54.181 53.050 -0.042 0.000 0.727 1013 N CB -0.887 37.591 38.487 -0.016 0.000 0.950 1013 N HN 0.498 nan 8.380 nan 0.000 0.541 1014 N N 0.256 118.913 118.700 -0.073 0.000 2.573 1014 N HA 0.290 5.030 4.740 -0.000 0.000 0.262 1014 N C -1.990 173.482 175.510 -0.063 0.000 1.029 1014 N CA -1.914 51.097 53.050 -0.065 0.000 0.882 1014 N CB 1.312 39.753 38.487 -0.077 0.000 1.204 1014 N HN -0.122 nan 8.380 nan 0.000 0.519 1015 P HA 0.046 nan 4.420 nan 0.000 0.237 1015 P C 0.167 177.438 177.300 -0.048 0.000 1.178 1015 P CA 0.771 63.841 63.100 -0.049 0.000 0.766 1015 P CB 0.566 32.242 31.700 -0.039 0.000 0.876 1016 E N -0.576 119.609 120.200 -0.024 0.000 2.444 1016 E HA 0.243 4.593 4.350 -0.000 0.000 0.191 1016 E C 0.847 177.526 176.600 0.131 0.000 1.041 1016 E CA -0.078 56.347 56.400 0.041 0.000 0.883 1016 E CB 0.255 29.979 29.700 0.040 0.000 1.024 1016 E HN 0.165 nan 8.360 nan 0.000 0.470 1017 A N 1.099 123.926 122.820 0.011 0.000 2.676 1017 A HA 0.213 4.533 4.320 -0.000 0.000 0.297 1017 A C 0.043 177.575 177.584 -0.087 0.000 1.132 1017 A CA -0.523 51.477 52.037 -0.062 0.000 0.972 1017 A CB -0.017 18.924 19.000 -0.100 0.000 1.197 1017 A HN -0.080 nan 8.150 nan 0.000 0.524 1018 N N -0.326 118.365 118.700 -0.014 0.000 2.495 1018 N HA 0.553 5.293 4.740 -0.000 0.000 0.280 1018 N C -0.623 174.864 175.510 -0.038 0.000 1.168 1018 N CA -0.170 52.861 53.050 -0.031 0.000 0.978 1018 N CB 0.499 38.973 38.487 -0.022 0.000 1.191 1018 N HN 0.216 nan 8.380 nan 0.000 0.497 1019 F N 0.207 120.150 119.950 -0.012 0.000 2.406 1019 F HA 0.154 4.681 4.527 -0.000 0.000 0.327 1019 F C 1.824 177.637 175.800 0.022 0.000 1.153 1019 F CA 0.068 58.059 58.000 -0.015 0.000 1.218 1019 F CB 0.794 39.736 39.000 -0.097 0.000 1.215 1019 F HN 0.402 nan 8.300 nan 0.000 0.570 1020 D N 0.101 120.667 120.400 0.276 0.000 2.422 1020 D HA 0.194 4.834 4.640 -0.000 0.000 0.218 1020 D C 0.744 177.227 176.300 0.305 0.000 1.047 1020 D CA 0.495 54.615 54.000 0.201 0.000 0.885 1020 D CB 0.853 41.716 40.800 0.105 0.000 1.035 1020 D HN 0.611 nan 8.370 nan 0.000 0.502 1021 G N 0.847 109.804 108.800 0.261 0.000 2.727 1021 G HA2 0.623 4.583 3.960 -0.000 0.000 0.289 1021 G HA3 0.623 4.583 3.960 -0.000 0.000 0.289 1021 G C -1.210 173.755 174.900 0.108 0.000 1.418 1021 G CA -0.742 44.507 45.100 0.248 0.000 0.818 1021 G HN 0.077 nan 8.290 nan 0.000 0.486 1022 I N -2.332 118.240 120.570 0.005 0.000 2.785 1022 I HA 0.800 4.970 4.170 -0.000 0.000 0.302 1022 I C -0.436 175.639 176.117 -0.071 0.000 1.069 1022 I CA -1.346 59.904 61.300 -0.084 0.000 1.045 1022 I CB 2.554 40.472 38.000 -0.136 0.000 1.236 1022 I HN 0.518 nan 8.210 nan 0.000 0.429 1023 R N 3.643 124.118 120.500 -0.041 0.000 2.294 1023 R HA 0.617 4.957 4.340 -0.000 0.000 0.319 1023 R C -1.525 174.848 176.300 0.121 0.000 0.984 1023 R CA -0.550 55.551 56.100 0.002 0.000 0.861 1023 R CB 1.698 32.003 30.300 0.008 0.000 1.104 1023 R HN 0.677 nan 8.270 nan 0.000 0.451 1024 V N 4.723 124.722 119.914 0.141 0.000 2.353 1024 V HA 0.064 4.184 4.120 -0.000 0.000 0.264 1024 V C 0.133 176.311 176.094 0.140 0.000 1.049 1024 V CA -0.438 61.996 62.300 0.224 0.000 0.896 1024 V CB 0.768 32.735 31.823 0.240 0.000 1.025 1024 V HN 0.810 nan 8.190 nan 0.000 0.475 1025 D N 4.444 124.933 120.400 0.148 0.000 2.345 1025 D HA 0.484 5.124 4.640 -0.000 0.000 0.247 1025 D C 0.813 177.163 176.300 0.083 0.000 1.108 1025 D CA 0.591 54.680 54.000 0.148 0.000 0.894 1025 D CB 0.930 41.877 40.800 0.244 0.000 1.203 1025 D HN 1.038 nan 8.370 nan 0.000 0.430 1026 A N 2.381 125.260 122.820 0.098 0.000 2.739 1026 A HA -0.187 4.133 4.320 -0.000 0.000 0.296 1026 A C 1.497 179.105 177.584 0.041 0.000 1.488 1026 A CA 0.723 52.811 52.037 0.084 0.000 0.746 1026 A CB -2.073 16.951 19.000 0.040 0.000 1.047 1026 A HN 0.440 nan 8.150 nan 0.000 0.477 1027 V N 0.042 119.988 119.914 0.054 0.000 2.282 1027 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 1027 V C 1.872 177.978 176.094 0.020 0.000 1.057 1027 V CA 2.421 64.742 62.300 0.035 0.000 1.032 1027 V CB -0.386 31.469 31.823 0.054 0.000 0.645 1027 V HN 0.732 nan 8.190 nan 0.000 0.447 1028 D N -0.025 120.409 120.400 0.057 0.000 2.323 1028 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 1028 D C 0.809 177.088 176.300 -0.034 0.000 1.129 1028 D CA 0.392 54.413 54.000 0.035 0.000 0.865 1028 D CB -0.386 40.479 40.800 0.109 0.000 0.913 1028 D HN 0.607 nan 8.370 nan 0.000 0.517 1029 N N -0.588 118.073 118.700 -0.063 0.000 2.197 1029 N HA 0.084 4.824 4.740 -0.000 0.000 0.228 1029 N C -0.244 175.150 175.510 -0.193 0.000 1.212 1029 N CA -0.179 52.780 53.050 -0.152 0.000 0.883 1029 N CB 1.624 40.034 38.487 -0.128 0.000 1.107 1029 N HN -0.039 nan 8.380 nan 0.000 0.519 1030 V N -3.246 116.578 119.914 -0.150 0.000 3.130 1030 V HA 0.499 4.619 4.120 -0.000 0.000 0.310 1030 V C -0.896 175.122 176.094 -0.128 0.000 1.158 1030 V CA -1.209 60.996 62.300 -0.159 0.000 1.029 1030 V CB 1.833 33.563 31.823 -0.154 0.000 1.057 1030 V HN -0.118 nan 8.190 nan 0.000 0.436 1031 D N 1.361 121.689 120.400 -0.120 0.000 2.434 1031 D HA 0.015 4.655 4.640 -0.000 0.000 0.252 1031 D C 0.810 177.077 176.300 -0.055 0.000 1.185 1031 D CA 0.741 54.692 54.000 -0.082 0.000 0.886 1031 D CB 1.604 42.361 40.800 -0.070 0.000 1.148 1031 D HN 0.608 nan 8.370 nan 0.000 0.483 1032 V N 4.093 123.983 119.914 -0.039 0.000 3.241 1032 V HA -0.158 3.962 4.120 -0.000 0.000 0.269 1032 V C 1.198 177.331 176.094 0.065 0.000 1.151 1032 V CA 1.224 63.525 62.300 0.002 0.000 1.158 1032 V CB -0.331 31.447 31.823 -0.076 0.000 0.764 1032 V HN 0.527 nan 8.190 nan 0.000 0.508 1033 D N 0.227 120.648 120.400 0.035 0.000 2.158 1033 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 1033 D C 2.017 178.273 176.300 -0.074 0.000 0.995 1033 D CA 1.518 55.523 54.000 0.008 0.000 0.846 1033 D CB -0.180 40.587 40.800 -0.055 0.000 0.941 1033 D HN 0.445 nan 8.370 nan 0.000 0.456 1034 L N 0.228 121.436 121.223 -0.026 0.000 2.127 1034 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 1034 L C 2.484 179.460 176.870 0.176 0.000 1.089 1034 L CA 0.572 55.449 54.840 0.062 0.000 0.757 1034 L CB -0.347 41.733 42.059 0.035 0.000 0.899 1034 L HN 0.091 nan 8.230 nan 0.000 0.434 1035 L N -1.366 119.950 121.223 0.154 0.000 2.141 1035 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 1035 L C 2.616 179.562 176.870 0.126 0.000 1.094 1035 L CA 0.826 55.770 54.840 0.174 0.000 0.763 1035 L CB -0.428 41.745 42.059 0.190 0.000 0.908 1035 L HN 0.174 nan 8.230 nan 0.000 0.437 1036 S N 0.042 115.816 115.700 0.124 0.000 2.387 1036 S HA -0.021 4.449 4.470 -0.000 0.000 0.226 1036 S C 1.975 176.655 174.600 0.132 0.000 1.026 1036 S CA 0.840 59.141 58.200 0.167 0.000 0.972 1036 S CB -0.071 63.323 63.200 0.323 0.000 0.814 1036 S HN 0.252 nan 8.310 nan 0.000 0.477 1037 I N 1.712 122.223 120.570 -0.097 0.000 2.226 1037 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 1037 I C 2.651 178.803 176.117 0.057 0.000 1.100 1037 I CA 1.147 62.362 61.300 -0.141 0.000 1.374 1037 I CB -0.412 37.415 38.000 -0.289 0.000 1.057 1037 I HN 0.258 nan 8.210 nan 0.000 0.413 1038 A N 0.724 123.589 122.820 0.075 0.000 1.902 1038 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 1038 A C 2.445 180.102 177.584 0.123 0.000 1.181 1038 A CA 1.743 53.807 52.037 0.045 0.000 0.623 1038 A CB -0.669 18.265 19.000 -0.110 0.000 0.818 1038 A HN 0.364 nan 8.150 nan 0.000 0.443 1039 R N -0.241 120.289 120.500 0.050 0.000 2.094 1039 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 1039 R C 1.445 177.789 176.300 0.072 0.000 1.137 1039 R CA 2.164 58.282 56.100 0.030 0.000 0.943 1039 R CB -0.503 29.811 30.300 0.024 0.000 0.850 1039 R HN 0.437 nan 8.270 nan 0.000 0.433 1040 D N -0.484 119.973 120.400 0.096 0.000 2.117 1040 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 1040 D C 1.627 177.922 176.300 -0.008 0.000 0.987 1040 D CA 1.203 55.241 54.000 0.064 0.000 0.829 1040 D CB -0.501 40.384 40.800 0.141 0.000 0.961 1040 D HN 0.342 nan 8.370 nan 0.000 0.460 1041 Y N 0.430 120.705 120.300 -0.041 0.000 2.145 1041 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 1041 Y C 1.988 177.720 175.900 -0.280 0.000 1.145 1041 Y CA 1.345 59.342 58.100 -0.171 0.000 1.148 1041 Y CB -0.601 37.798 38.460 -0.102 0.000 0.981 1041 Y HN -0.159 nan 8.280 nan 0.000 0.507 1042 F N 0.796 120.440 119.950 -0.510 0.000 2.234 1042 F HA -0.173 4.354 4.527 0.000 0.000 0.299 1042 F C 2.147 177.668 175.800 -0.465 0.000 1.087 1042 F CA 1.478 59.173 58.000 -0.507 0.000 1.340 1042 F CB -0.734 38.192 39.000 -0.123 0.000 1.031 1042 F HN 0.117 nan 8.300 nan 0.000 0.500 1043 N N 0.343 118.955 118.700 -0.146 0.000 2.084 1043 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 1043 N C 2.066 177.393 175.510 -0.304 0.000 1.030 1043 N CA 1.511 54.461 53.050 -0.166 0.000 0.849 1043 N CB -0.843 37.589 38.487 -0.091 0.000 1.012 1043 N HN 0.255 nan 8.380 nan 0.000 0.423 1044 A N 0.572 123.119 122.820 -0.456 0.000 1.898 1044 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 1044 A C 2.273 179.374 177.584 -0.804 0.000 1.181 1044 A CA 1.970 53.671 52.037 -0.561 0.000 0.620 1044 A CB -0.746 17.833 19.000 -0.702 0.000 0.819 1044 A HN 0.331 nan 8.150 nan 0.000 0.442 1045 A N -2.131 119.927 122.820 -1.270 0.000 1.935 1045 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 1045 A C 1.607 178.603 177.584 -0.981 0.000 1.178 1045 A CA 1.325 52.552 52.037 -1.351 0.000 0.640 1045 A CB -0.294 17.360 19.000 -2.245 0.000 0.825 1045 A HN 0.598 nan 8.150 nan 0.000 0.447 1046 Y N -2.455 117.587 120.300 -0.430 0.000 2.563 1046 Y HA 0.291 4.841 4.550 -0.000 0.000 0.250 1046 Y C 0.656 176.474 175.900 -0.137 0.000 1.126 1046 Y CA -0.855 57.080 58.100 -0.275 0.000 1.231 1046 Y CB -0.156 38.026 38.460 -0.464 0.000 1.288 1046 Y HN 0.314 nan 8.280 nan 0.000 0.537 1047 N N 0.660 119.320 118.700 -0.066 0.000 2.740 1047 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 1047 N C 0.770 176.274 175.510 -0.010 0.000 1.062 1047 N CA 0.643 53.669 53.050 -0.039 0.000 0.704 1047 N CB -0.822 37.652 38.487 -0.022 0.000 0.968 1047 N HN 0.237 nan 8.380 nan 0.000 0.547 1048 M N -0.160 119.446 119.600 0.010 0.000 2.144 1048 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 1048 M C 1.350 177.623 176.300 -0.045 0.000 1.067 1048 M CA 1.650 56.954 55.300 0.006 0.000 1.095 1048 M CB -0.531 32.062 32.600 -0.012 0.000 1.365 1048 M HN 0.326 nan 8.290 nan 0.000 0.406 1049 E N -0.454 119.726 120.200 -0.034 0.000 2.502 1049 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 1049 E C 1.848 178.423 176.600 -0.041 0.000 1.062 1049 E CA 0.066 56.477 56.400 0.018 0.000 0.867 1049 E CB 0.025 29.740 29.700 0.025 0.000 0.888 1049 E HN 0.380 nan 8.360 nan 0.000 0.510 1050 Q N 1.159 120.876 119.800 -0.139 0.000 2.083 1050 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 1050 Q C 0.382 176.127 176.000 -0.425 0.000 0.969 1050 Q CA 1.061 56.757 55.803 -0.179 0.000 0.838 1050 Q CB 0.414 29.088 28.738 -0.107 0.000 0.900 1050 Q HN 0.165 nan 8.270 nan 0.000 0.436 1051 S N -2.260 113.051 115.700 -0.647 0.000 2.615 1051 S HA 0.286 4.756 4.470 -0.000 0.000 0.268 1051 S C -0.392 173.921 174.600 -0.478 0.000 1.146 1051 S CA -0.464 57.304 58.200 -0.720 0.000 0.818 1051 S CB 0.275 63.323 63.200 -0.253 0.000 1.111 1051 S HN 0.055 nan 8.310 nan 0.000 0.465 1052 D N 1.215 121.545 120.400 -0.116 0.000 2.144 1052 D HA 0.033 4.673 4.640 -0.000 0.000 0.199 1052 D C 2.161 178.490 176.300 0.048 0.000 0.984 1052 D CA 1.810 55.880 54.000 0.115 0.000 0.834 1052 D CB -0.669 40.233 40.800 0.170 0.000 0.955 1052 D HN 0.711 nan 8.370 nan 0.000 0.465 1053 A N 0.374 123.195 122.820 0.001 0.000 1.933 1053 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 1053 A C 2.351 179.939 177.584 0.005 0.000 1.175 1053 A CA 1.910 53.950 52.037 0.006 0.000 0.628 1053 A CB -0.545 18.451 19.000 -0.007 0.000 0.814 1053 A HN 0.214 nan 8.150 nan 0.000 0.444 1054 S N -0.624 115.066 115.700 -0.017 0.000 2.357 1054 S HA 0.036 4.506 4.470 -0.000 0.000 0.221 1054 S C 2.218 176.863 174.600 0.075 0.000 1.031 1054 S CA 1.404 59.614 58.200 0.017 0.000 0.982 1054 S CB -0.441 62.746 63.200 -0.022 0.000 0.853 1054 S HN 0.775 nan 8.310 nan 0.000 0.458 1055 A N 1.796 124.644 122.820 0.047 0.000 1.930 1055 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 1055 A C 1.802 179.518 177.584 0.219 0.000 1.175 1055 A CA 1.725 53.803 52.037 0.068 0.000 0.627 1055 A CB -0.793 18.187 19.000 -0.033 0.000 0.815 1055 A HN 0.600 nan 8.150 nan 0.000 0.443 1056 N N 0.005 118.817 118.700 0.187 0.000 2.550 1056 N HA -0.023 4.717 4.740 -0.000 0.000 0.186 1056 N C 1.143 176.692 175.510 0.065 0.000 1.110 1056 N CA 0.738 53.899 53.050 0.186 0.000 0.912 1056 N CB -0.178 38.388 38.487 0.132 0.000 0.968 1056 N HN 0.557 nan 8.380 nan 0.000 0.448 1057 K N -0.164 120.226 120.400 -0.017 0.000 2.504 1057 K HA 0.013 4.333 4.320 -0.000 0.000 0.195 1057 K C -0.223 176.049 176.600 -0.547 0.000 1.036 1057 K CA 0.741 56.866 56.287 -0.270 0.000 0.984 1057 K CB 0.151 32.437 32.500 -0.355 0.000 0.788 1057 K HN 0.346 nan 8.250 nan 0.000 0.488 1058 H N 0.609 119.721 119.070 0.071 0.000 2.538 1058 H HA 0.149 4.705 4.556 -0.000 0.000 0.239 1058 H C -0.774 174.673 175.328 0.199 0.000 1.401 1058 H CA -0.651 55.454 56.048 0.096 0.000 1.499 1058 H CB 0.423 30.251 29.762 0.109 0.000 1.624 1058 H HN -0.072 nan 8.280 nan 0.000 0.524 1059 I N 2.672 123.345 120.570 0.171 0.000 2.517 1059 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 1059 I C 0.485 176.616 176.117 0.024 0.000 1.106 1059 I CA 0.149 61.482 61.300 0.055 0.000 1.402 1059 I CB -0.021 37.942 38.000 -0.061 0.000 1.399 1059 I HN 0.364 nan 8.210 nan 0.000 0.535 1060 N N 7.515 126.218 118.700 0.005 0.000 2.292 1060 N HA 0.658 5.397 4.740 -0.000 0.000 0.303 1060 N C -0.436 174.995 175.510 -0.131 0.000 1.140 1060 N CA -0.487 52.523 53.050 -0.065 0.000 0.788 1060 N CB 3.036 41.458 38.487 -0.110 0.000 1.361 1060 N HN 0.544 nan 8.380 nan 0.000 0.489 1061 I N -2.225 118.249 120.570 -0.160 0.000 2.934 1061 I HA 0.594 4.764 4.170 -0.000 0.000 0.306 1061 I C -1.253 174.830 176.117 -0.057 0.000 1.110 1061 I CA -0.973 60.200 61.300 -0.211 0.000 1.019 1061 I CB 2.040 39.645 38.000 -0.658 0.000 1.227 1061 I HN 0.138 nan 8.210 nan 0.000 0.434 1062 L N 2.491 123.764 121.223 0.084 0.000 2.334 1062 L HA 0.458 4.798 4.340 -0.000 0.000 0.276 1062 L C 0.121 177.048 176.870 0.096 0.000 1.014 1062 L CA -0.464 54.437 54.840 0.102 0.000 0.815 1062 L CB 1.863 43.992 42.059 0.117 0.000 1.268 1062 L HN 0.709 nan 8.230 nan 0.000 0.428 1063 E N 3.693 123.900 120.200 0.012 0.000 1.964 1063 E HA 0.043 4.393 4.350 -0.000 0.000 0.264 1063 E C -1.186 175.281 176.600 -0.221 0.000 1.120 1063 E CA -0.384 55.927 56.400 -0.147 0.000 1.061 1063 E CB 0.190 29.859 29.700 -0.052 0.000 1.190 1063 E HN 0.483 nan 8.360 nan 0.000 0.459 1064 D N 2.275 122.534 120.400 -0.234 0.000 2.464 1064 D HA 0.038 4.678 4.640 -0.000 0.000 0.243 1064 D C 0.130 176.376 176.300 -0.090 0.000 1.104 1064 D CA -0.712 53.236 54.000 -0.087 0.000 0.883 1064 D CB -0.019 40.796 40.800 0.024 0.000 1.050 1064 D HN 0.392 nan 8.370 nan 0.000 0.524 1065 W N 2.646 124.038 121.300 0.153 0.000 2.518 1065 W HA 0.175 4.835 4.660 0.000 0.000 0.273 1065 W C 1.789 178.456 176.519 0.246 0.000 1.247 1065 W CA 0.062 57.518 57.345 0.185 0.000 1.288 1065 W CB 0.237 29.790 29.460 0.156 0.000 1.107 1065 W HN 0.431 nan 8.180 nan 0.000 0.586 1066 G N -0.297 108.734 108.800 0.385 0.000 2.365 1066 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.249 1066 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.249 1066 G C -0.362 174.785 174.900 0.412 0.000 1.288 1066 G CA -0.516 44.788 45.100 0.340 0.000 0.887 1066 G HN 0.120 nan 8.290 nan 0.000 0.524 1067 W N 0.411 121.770 121.300 0.099 0.000 2.699 1067 W HA 0.104 4.764 4.660 0.000 0.000 0.249 1067 W C 1.409 177.965 176.519 0.063 0.000 1.280 1067 W CA 0.039 57.427 57.345 0.071 0.000 1.345 1067 W CB 0.228 29.724 29.460 0.060 0.000 1.128 1067 W HN 0.498 nan 8.180 nan 0.000 0.642 1068 D N -0.501 120.066 120.400 0.279 0.000 2.349 1068 D HA -0.089 4.551 4.640 -0.000 0.000 0.215 1068 D C 1.113 177.511 176.300 0.163 0.000 1.016 1068 D CA 0.758 54.870 54.000 0.186 0.000 0.870 1068 D CB -0.088 40.802 40.800 0.150 0.000 0.917 1068 D HN 0.108 nan 8.370 nan 0.000 0.524 1069 D N 0.570 121.069 120.400 0.166 0.000 2.144 1069 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 1069 D C -0.750 175.647 176.300 0.161 0.000 0.978 1069 D CA 0.665 54.763 54.000 0.163 0.000 0.833 1069 D CB -1.281 39.604 40.800 0.142 0.000 0.961 1069 D HN 0.231 nan 8.370 nan 0.000 0.470 1070 P HA -0.140 nan 4.420 nan 0.000 0.216 1070 P C 1.232 178.577 177.300 0.075 0.000 1.153 1070 P CA 2.032 65.168 63.100 0.059 0.000 0.858 1070 P CB -0.036 31.663 31.700 -0.002 0.000 0.789 1071 A N -1.543 121.332 122.820 0.091 0.000 1.908 1071 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 1071 A C 2.305 179.956 177.584 0.112 0.000 1.181 1071 A CA 1.687 53.776 52.037 0.088 0.000 0.627 1071 A CB -1.924 17.136 19.000 0.099 0.000 0.818 1071 A HN 0.191 nan 8.150 nan 0.000 0.445 1072 Y N 0.392 120.720 120.300 0.046 0.000 2.200 1072 Y HA -0.124 4.426 4.550 0.000 0.000 0.290 1072 Y C 2.353 178.281 175.900 0.046 0.000 1.137 1072 Y CA 1.755 59.884 58.100 0.049 0.000 1.163 1072 Y CB -0.302 38.192 38.460 0.057 0.000 0.988 1072 Y HN 0.055 nan 8.280 nan 0.000 0.518 1073 V N 0.958 120.922 119.914 0.083 0.000 2.332 1073 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 1073 V C 2.170 178.228 176.094 -0.060 0.000 1.055 1073 V CA 2.236 64.542 62.300 0.010 0.000 1.038 1073 V CB -0.964 30.915 31.823 0.094 0.000 0.651 1073 V HN 0.484 nan 8.190 nan 0.000 0.450 1074 N N 0.497 119.179 118.700 -0.030 0.000 2.142 1074 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 1074 N C 1.876 177.335 175.510 -0.084 0.000 1.023 1074 N CA 1.675 54.703 53.050 -0.036 0.000 0.852 1074 N CB -0.286 38.194 38.487 -0.012 0.000 0.998 1074 N HN 0.455 nan 8.380 nan 0.000 0.424 1075 K N 0.489 120.813 120.400 -0.127 0.000 2.147 1075 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 1075 K C 1.547 178.027 176.600 -0.200 0.000 1.049 1075 K CA 1.379 57.578 56.287 -0.147 0.000 0.936 1075 K CB -0.240 32.170 32.500 -0.150 0.000 0.722 1075 K HN 0.538 nan 8.250 nan 0.000 0.446 1076 I N -3.612 116.775 120.570 -0.306 0.000 3.812 1076 I HA 0.322 4.492 4.170 -0.000 0.000 0.320 1076 I C 0.634 176.675 176.117 -0.127 0.000 1.276 1076 I CA 0.382 61.536 61.300 -0.242 0.000 1.164 1076 I CB 0.561 38.362 38.000 -0.331 0.000 1.009 1076 I HN 0.220 nan 8.210 nan 0.000 0.431 1077 G N 1.585 110.322 108.800 -0.105 0.000 2.143 1077 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.175 1077 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.175 1077 G C 0.017 174.877 174.900 -0.066 0.000 1.004 1077 G CA -0.151 44.904 45.100 -0.074 0.000 0.671 1077 G HN 0.405 nan 8.290 nan 0.000 0.512 1078 N N -1.043 117.636 118.700 -0.034 0.000 2.699 1078 N HA -0.159 4.581 4.740 -0.000 0.000 0.256 1078 N C -0.904 174.608 175.510 0.004 0.000 0.993 1078 N CA 1.252 54.326 53.050 0.040 0.000 0.759 1078 N CB -0.354 38.193 38.487 0.100 0.000 0.906 1078 N HN 0.498 nan 8.380 nan 0.000 0.541 1079 P HA -0.117 nan 4.420 nan 0.000 0.222 1079 P C -0.029 177.268 177.300 -0.005 0.000 1.153 1079 P CA 1.474 64.509 63.100 -0.108 0.000 0.798 1079 P CB 0.483 32.131 31.700 -0.086 0.000 0.796 1080 Q N -0.731 119.142 119.800 0.122 0.000 2.359 1080 Q HA 0.476 4.816 4.340 -0.000 0.000 0.274 1080 Q C -0.735 175.386 176.000 0.202 0.000 1.074 1080 Q CA -0.583 55.322 55.803 0.170 0.000 0.810 1080 Q CB 1.984 30.744 28.738 0.036 0.000 1.342 1080 Q HN -0.057 nan 8.270 nan 0.000 0.427 1081 L N 1.492 122.791 121.223 0.127 0.000 2.462 1081 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 1081 L C 0.708 177.702 176.870 0.208 0.000 1.166 1081 L CA -0.055 54.855 54.840 0.117 0.000 0.880 1081 L CB 0.625 42.697 42.059 0.022 0.000 1.142 1081 L HN 0.620 nan 8.230 nan 0.000 0.473 1082 T N 4.826 119.466 114.554 0.143 0.000 2.903 1082 T HA 0.233 4.583 4.350 -0.000 0.000 0.314 1082 T C 0.331 175.018 174.700 -0.022 0.000 1.078 1082 T CA -0.705 61.446 62.100 0.086 0.000 1.114 1082 T CB 0.332 69.213 68.868 0.023 0.000 0.987 1082 T HN 0.507 nan 8.240 nan 0.000 0.548 1083 M N 2.479 121.935 119.600 -0.239 0.000 2.163 1083 M HA 0.431 4.911 4.480 -0.000 0.000 0.305 1083 M C -0.026 176.028 176.300 -0.411 0.000 1.166 1083 M CA -0.392 54.477 55.300 -0.719 0.000 1.132 1083 M CB 0.357 32.560 32.600 -0.661 0.000 1.413 1083 M HN 0.326 nan 8.290 nan 0.000 0.478 1084 D N 0.285 120.419 120.400 -0.443 0.000 2.485 1084 D HA 0.190 4.830 4.640 -0.000 0.000 0.256 1084 D C -0.308 175.757 176.300 -0.392 0.000 1.141 1084 D CA -0.158 53.627 54.000 -0.359 0.000 0.942 1084 D CB 0.426 41.050 40.800 -0.294 0.000 1.003 1084 D HN 0.786 nan 8.370 nan 0.000 0.507 1085 D N 1.870 122.051 120.400 -0.365 0.000 2.219 1085 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 1085 D C 1.839 177.938 176.300 -0.335 0.000 0.970 1085 D CA 0.912 54.775 54.000 -0.228 0.000 0.851 1085 D CB 0.423 41.295 40.800 0.121 0.000 0.943 1085 D HN 0.268 nan 8.370 nan 0.000 0.488 1086 R N -0.489 119.546 120.500 -0.774 0.000 2.083 1086 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 1086 R C 2.164 178.266 176.300 -0.329 0.000 1.137 1086 R CA 1.151 56.776 56.100 -0.792 0.000 0.951 1086 R CB -0.458 29.326 30.300 -0.860 0.000 0.851 1086 R HN 0.225 nan 8.270 nan 0.000 0.434 1087 L N 1.016 122.053 121.223 -0.311 0.000 2.056 1087 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 1087 L C 2.398 179.144 176.870 -0.207 0.000 1.078 1087 L CA 1.676 56.382 54.840 -0.224 0.000 0.749 1087 L CB -0.418 41.508 42.059 -0.223 0.000 0.901 1087 L HN 0.014 nan 8.230 nan 0.000 0.433 1088 R N -0.479 119.860 120.500 -0.268 0.000 2.081 1088 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 1088 R C 2.061 178.280 176.300 -0.134 0.000 1.131 1088 R CA 2.071 58.005 56.100 -0.278 0.000 0.960 1088 R CB -0.339 29.682 30.300 -0.466 0.000 0.856 1088 R HN 0.496 nan 8.270 nan 0.000 0.436 1089 N N 0.008 118.679 118.700 -0.047 0.000 2.223 1089 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 1089 N C 1.628 177.150 175.510 0.020 0.000 1.016 1089 N CA 1.359 54.437 53.050 0.047 0.000 0.863 1089 N CB -0.123 38.486 38.487 0.202 0.000 0.983 1089 N HN 0.317 nan 8.380 nan 0.000 0.429 1090 A N 0.777 123.586 122.820 -0.018 0.000 1.908 1090 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 1090 A C 2.093 179.656 177.584 -0.034 0.000 1.181 1090 A CA 1.109 53.132 52.037 -0.023 0.000 0.627 1090 A CB -0.659 18.310 19.000 -0.051 0.000 0.818 1090 A HN 0.244 nan 8.150 nan 0.000 0.445 1091 I N -0.827 119.706 120.570 -0.062 0.000 2.252 1091 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 1091 I C 2.532 178.629 176.117 -0.033 0.000 1.102 1091 I CA 1.010 62.273 61.300 -0.063 0.000 1.385 1091 I CB -0.345 37.593 38.000 -0.105 0.000 1.064 1091 I HN 0.254 nan 8.210 nan 0.000 0.414 1092 M N 0.052 119.638 119.600 -0.024 0.000 2.149 1092 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 1092 M C 1.575 177.883 176.300 0.013 0.000 1.064 1092 M CA 1.762 57.066 55.300 0.006 0.000 1.102 1092 M CB -1.202 31.409 32.600 0.018 0.000 1.369 1092 M HN 0.177 nan 8.290 nan 0.000 0.408 1093 D N -0.605 119.801 120.400 0.010 0.000 2.323 1093 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 1093 D C 1.953 178.251 176.300 -0.002 0.000 0.973 1093 D CA 1.440 55.446 54.000 0.010 0.000 0.874 1093 D CB 0.111 40.923 40.800 0.020 0.000 0.930 1093 D HN 0.492 nan 8.370 nan 0.000 0.521 1094 T N -3.387 111.163 114.554 -0.006 0.000 2.954 1094 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 1094 T C 1.699 176.393 174.700 -0.011 0.000 0.983 1094 T CA -0.114 61.980 62.100 -0.011 0.000 0.941 1094 T CB 0.111 68.973 68.868 -0.011 0.000 1.141 1094 T HN 0.030 nan 8.240 nan 0.000 0.500 1095 L N 0.322 121.541 121.223 -0.006 0.000 2.663 1095 L HA 0.369 4.709 4.340 -0.000 0.000 0.218 1095 L C 2.383 179.277 176.870 0.040 0.000 1.043 1095 L CA 0.289 55.132 54.840 0.006 0.000 0.876 1095 L CB 0.163 42.218 42.059 -0.006 0.000 1.263 1095 L HN 0.111 nan 8.230 nan 0.000 0.486 1096 S N 0.307 116.035 115.700 0.046 0.000 2.527 1096 S HA 0.102 4.572 4.470 -0.000 0.000 0.222 1096 S C 1.012 175.715 174.600 0.172 0.000 0.985 1096 S CA 0.442 58.706 58.200 0.106 0.000 0.921 1096 S CB -0.120 63.124 63.200 0.073 0.000 0.772 1096 S HN 0.420 nan 8.310 nan 0.000 0.529 1097 G N 0.941 109.779 108.800 0.063 0.000 2.580 1097 G HA2 0.607 4.567 3.960 -0.000 0.000 0.278 1097 G HA3 0.607 4.567 3.960 -0.000 0.000 0.278 1097 G C -0.046 174.658 174.900 -0.326 0.000 1.212 1097 G CA -0.321 44.774 45.100 -0.008 0.000 0.939 1097 G HN 0.426 nan 8.290 nan 0.000 0.513 1098 A N 0.402 122.907 122.820 -0.525 0.000 2.346 1098 A HA 0.525 4.845 4.320 -0.000 0.000 0.252 1098 A C -0.908 176.345 177.584 -0.552 0.000 1.089 1098 A CA -0.783 50.623 52.037 -1.053 0.000 0.797 1098 A CB 0.356 19.038 19.000 -0.530 0.000 1.047 1098 A HN 0.400 nan 8.150 nan 0.000 0.494 1099 P HA -0.178 nan 4.420 nan 0.000 0.216 1099 P C 0.562 177.770 177.300 -0.153 0.000 1.150 1099 P CA 1.776 64.737 63.100 -0.231 0.000 0.843 1099 P CB 0.012 31.619 31.700 -0.154 0.000 0.787 1100 D N -1.871 118.440 120.400 -0.147 0.000 2.349 1100 D HA -0.066 4.574 4.640 -0.000 0.000 0.224 1100 D C 1.222 177.472 176.300 -0.084 0.000 1.029 1100 D CA 0.688 54.632 54.000 -0.093 0.000 0.879 1100 D CB -0.254 40.503 40.800 -0.071 0.000 0.906 1100 D HN 0.086 nan 8.370 nan 0.000 0.528 1101 K N -0.227 120.108 120.400 -0.108 0.000 2.399 1101 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 1101 K C 0.306 176.869 176.600 -0.063 0.000 1.117 1101 K CA -0.234 56.007 56.287 -0.076 0.000 0.965 1101 K CB 0.045 32.498 32.500 -0.077 0.000 0.983 1101 K HN 0.039 nan 8.250 nan 0.000 0.531 1102 N N 3.115 121.767 118.700 -0.079 0.000 2.492 1102 N HA 0.017 4.757 4.740 -0.000 0.000 0.262 1102 N C 0.180 175.670 175.510 -0.033 0.000 1.202 1102 N CA 0.488 53.506 53.050 -0.053 0.000 0.926 1102 N CB 0.695 39.147 38.487 -0.058 0.000 1.078 1102 N HN 0.134 nan 8.380 nan 0.000 0.454 1103 Q N 0.408 120.196 119.800 -0.020 0.000 2.185 1103 Q HA 0.588 4.928 4.340 -0.000 0.000 0.225 1103 Q C -0.055 175.940 176.000 -0.008 0.000 0.983 1103 Q CA -0.939 54.857 55.803 -0.011 0.000 0.950 1103 Q CB 0.682 29.418 28.738 -0.004 0.000 1.176 1103 Q HN 0.650 nan 8.270 nan 0.000 0.510 1104 A N 0.725 123.543 122.820 -0.004 0.000 2.531 1104 A HA 0.007 4.327 4.320 -0.000 0.000 0.236 1104 A C 0.619 178.203 177.584 -0.001 0.000 1.062 1104 A CA 0.076 52.113 52.037 -0.001 0.000 0.760 1104 A CB -0.102 18.899 19.000 0.001 0.000 0.995 1104 A HN 0.776 nan 8.150 nan 0.000 0.501 1105 L N 1.670 122.894 121.223 0.000 0.000 2.551 1105 L HA -0.130 4.210 4.340 -0.000 0.000 0.228 1105 L C 1.623 178.492 176.870 -0.003 0.000 1.153 1105 L CA 0.717 55.556 54.840 -0.002 0.000 0.851 1105 L CB -0.528 41.532 42.059 0.002 0.000 0.959 1105 L HN 0.803 nan 8.230 nan 0.000 0.451 1106 N N 0.366 119.067 118.700 0.001 0.000 2.205 1106 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 1106 N C 1.678 177.186 175.510 -0.002 0.000 1.015 1106 N CA 0.987 54.038 53.050 0.002 0.000 0.862 1106 N CB -0.188 38.303 38.487 0.005 0.000 0.986 1106 N HN 0.249 nan 8.380 nan 0.000 0.429 1107 K N 0.824 121.223 120.400 -0.002 0.000 2.160 1107 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 1107 K C 1.511 178.100 176.600 -0.019 0.000 1.047 1107 K CA 0.915 57.200 56.287 -0.003 0.000 0.930 1107 K CB -0.162 32.340 32.500 0.004 0.000 0.720 1107 K HN 0.212 nan 8.250 nan 0.000 0.450 1108 L N 0.558 121.767 121.223 -0.023 0.000 2.191 1108 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 1108 L C 2.094 178.941 176.870 -0.039 0.000 1.103 1108 L CA 0.879 55.696 54.840 -0.038 0.000 0.769 1108 L CB -0.255 41.782 42.059 -0.036 0.000 0.908 1108 L HN 0.242 nan 8.230 nan 0.000 0.438 1109 I N -0.907 119.648 120.570 -0.025 0.000 2.584 1109 I HA -0.152 4.018 4.170 -0.000 0.000 0.255 1109 I C 2.309 178.411 176.117 -0.025 0.000 1.145 1109 I CA 1.634 62.921 61.300 -0.021 0.000 1.462 1109 I CB -0.278 37.718 38.000 -0.008 0.000 1.102 1109 I HN 0.361 nan 8.210 nan 0.000 0.433 1110 T N -3.300 111.239 114.554 -0.024 0.000 2.978 1110 T HA 0.014 4.364 4.350 -0.000 0.000 0.248 1110 T C 1.085 175.763 174.700 -0.038 0.000 1.018 1110 T CA -0.225 61.862 62.100 -0.023 0.000 1.026 1110 T CB -0.022 68.842 68.868 -0.007 0.000 1.032 1110 T HN 0.134 nan 8.240 nan 0.000 0.485 1111 Q N 1.692 121.464 119.800 -0.046 0.000 2.678 1111 Q HA 0.533 4.873 4.340 -0.000 0.000 0.222 1111 Q C -0.810 175.104 176.000 -0.143 0.000 1.281 1111 Q CA -0.325 55.436 55.803 -0.071 0.000 0.994 1111 Q CB -0.140 28.580 28.738 -0.030 0.000 1.452 1111 Q HN 0.435 nan 8.270 nan 0.000 0.570 1112 S N 1.735 117.338 115.700 -0.163 0.000 2.645 1112 S HA 0.189 4.659 4.470 -0.000 0.000 0.268 1112 S C 0.224 174.724 174.600 -0.167 0.000 1.110 1112 S CA -0.700 57.386 58.200 -0.190 0.000 0.823 1112 S CB 0.355 63.473 63.200 -0.137 0.000 1.091 1112 S HN 0.643 nan 8.310 nan 0.000 0.466 1113 L N 1.420 122.540 121.223 -0.170 0.000 2.353 1113 L HA 0.135 4.475 4.340 -0.000 0.000 0.220 1113 L C 0.061 176.884 176.870 -0.078 0.000 1.133 1113 L CA 0.761 55.529 54.840 -0.120 0.000 0.798 1113 L CB -0.195 41.795 42.059 -0.115 0.000 0.922 1113 L HN 0.371 nan 8.230 nan 0.000 0.445 1114 V N -0.249 119.619 119.914 -0.077 0.000 2.588 1114 V HA 0.245 4.365 4.120 -0.000 0.000 0.304 1114 V C -0.232 175.836 176.094 -0.043 0.000 1.042 1114 V CA -0.932 61.338 62.300 -0.049 0.000 0.877 1114 V CB 1.914 33.711 31.823 -0.043 0.000 0.996 1114 V HN 0.108 nan 8.190 nan 0.000 0.425 1115 N N 3.901 122.586 118.700 -0.026 0.000 2.419 1115 N HA 0.295 5.035 4.740 -0.000 0.000 0.264 1115 N C 0.388 175.893 175.510 -0.009 0.000 1.031 1115 N CA -0.294 52.745 53.050 -0.018 0.000 0.951 1115 N CB 1.237 39.719 38.487 -0.009 0.000 1.101 1115 N HN 0.590 nan 8.380 nan 0.000 0.488 1116 R N 2.579 123.072 120.500 -0.012 0.000 2.427 1116 R HA 0.205 4.545 4.340 -0.000 0.000 0.262 1116 R C 1.442 177.746 176.300 0.007 0.000 0.943 1116 R CA -0.086 56.011 56.100 -0.006 0.000 1.081 1116 R CB 0.315 30.603 30.300 -0.020 0.000 1.166 1116 R HN 0.600 nan 8.270 nan 0.000 0.534 1117 A N 1.759 124.587 122.820 0.012 0.000 1.883 1117 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 1117 A C 0.862 178.472 177.584 0.043 0.000 1.186 1117 A CA 1.241 53.292 52.037 0.024 0.000 0.624 1117 A CB 0.044 19.057 19.000 0.021 0.000 0.822 1117 A HN 0.272 nan 8.150 nan 0.000 0.444 1118 N N 0.278 119.007 118.700 0.047 0.000 2.716 1118 N HA 0.088 4.828 4.740 -0.000 0.000 0.245 1118 N C -1.907 173.645 175.510 0.070 0.000 1.495 1118 N CA -0.300 52.796 53.050 0.075 0.000 0.759 1118 N CB 0.873 39.399 38.487 0.064 0.000 1.261 1118 N HN 0.272 nan 8.380 nan 0.000 0.515 1119 D N 1.764 122.207 120.400 0.071 0.000 2.422 1119 D HA 0.093 4.733 4.640 -0.000 0.000 0.227 1119 D C 0.373 176.728 176.300 0.091 0.000 1.190 1119 D CA -0.129 53.907 54.000 0.060 0.000 0.905 1119 D CB 0.219 41.042 40.800 0.038 0.000 1.034 1119 D HN 0.371 nan 8.370 nan 0.000 0.507 1120 N N 1.407 120.155 118.700 0.080 0.000 2.238 1120 N HA 0.033 4.773 4.740 -0.000 0.000 0.235 1120 N C -0.462 175.083 175.510 0.060 0.000 1.209 1120 N CA -0.449 52.655 53.050 0.089 0.000 0.879 1120 N CB 0.399 38.931 38.487 0.077 0.000 1.136 1120 N HN 0.237 nan 8.380 nan 0.000 0.517 1121 T N -3.178 111.405 114.554 0.050 0.000 2.887 1121 T HA 0.649 4.999 4.350 -0.000 0.000 0.292 1121 T C -0.743 173.979 174.700 0.036 0.000 1.087 1121 T CA -0.737 61.385 62.100 0.037 0.000 1.009 1121 T CB 2.548 71.431 68.868 0.026 0.000 1.203 1121 T HN 0.042 nan 8.240 nan 0.000 0.518 1122 E N 0.305 120.524 120.200 0.031 0.000 2.359 1122 E HA 0.438 4.788 4.350 -0.000 0.000 0.266 1122 E C -0.506 176.106 176.600 0.020 0.000 0.920 1122 E CA -1.224 55.194 56.400 0.030 0.000 0.788 1122 E CB 1.273 30.996 29.700 0.037 0.000 1.279 1122 E HN 0.752 nan 8.360 nan 0.000 0.438 1123 N N -0.342 118.369 118.700 0.017 0.000 2.741 1123 N HA -0.231 4.508 4.740 -0.000 0.000 0.250 1123 N C -0.116 175.392 175.510 -0.004 0.000 1.115 1123 N CA 1.051 54.102 53.050 0.003 0.000 0.724 1123 N CB -1.095 37.390 38.487 -0.003 0.000 1.090 1123 N HN 0.565 nan 8.380 nan 0.000 0.558 1124 A N -1.219 121.602 122.820 0.002 0.000 2.456 1124 A HA 0.428 4.748 4.320 -0.000 0.000 0.237 1124 A C 0.769 178.351 177.584 -0.002 0.000 1.217 1124 A CA 0.752 52.789 52.037 0.000 0.000 0.962 1124 A CB 0.790 19.793 19.000 0.006 0.000 1.079 1124 A HN 0.369 nan 8.150 nan 0.000 0.536 1125 V N -2.828 117.085 119.914 -0.002 0.000 3.126 1125 V HA 0.637 4.757 4.120 -0.000 0.000 0.314 1125 V C -0.214 175.877 176.094 -0.005 0.000 1.138 1125 V CA -1.338 60.958 62.300 -0.007 0.000 1.034 1125 V CB 1.287 33.104 31.823 -0.011 0.000 1.075 1125 V HN 0.156 nan 8.190 nan 0.000 0.442 1126 I N 3.807 124.371 120.570 -0.009 0.000 2.598 1126 I HA 0.260 4.430 4.170 -0.000 0.000 0.284 1126 I C -1.933 174.187 176.117 0.004 0.000 1.140 1126 I CA -1.217 60.082 61.300 -0.002 0.000 1.420 1126 I CB 1.134 39.129 38.000 -0.009 0.000 1.387 1126 I HN 0.584 nan 8.210 nan 0.000 0.553 1127 P HA 0.146 nan 4.420 nan 0.000 0.275 1127 P C -0.837 176.477 177.300 0.024 0.000 1.228 1127 P CA -0.161 62.961 63.100 0.036 0.000 0.786 1127 P CB 1.255 33.009 31.700 0.089 0.000 0.927 1128 S N 1.295 116.998 115.700 0.005 0.000 2.588 1128 S HA 0.649 5.119 4.470 -0.000 0.000 0.269 1128 S C -1.129 173.498 174.600 0.045 0.000 1.157 1128 S CA -0.814 57.387 58.200 0.001 0.000 0.824 1128 S CB 0.936 64.087 63.200 -0.083 0.000 1.126 1128 S HN 0.531 nan 8.310 nan 0.000 0.464 1129 Y N 0.776 121.049 120.300 -0.045 0.000 2.534 1129 Y HA 0.887 5.437 4.550 0.000 0.000 0.329 1129 Y C -0.414 175.503 175.900 0.029 0.000 1.154 1129 Y CA -0.782 57.312 58.100 -0.009 0.000 1.192 1129 Y CB 1.096 39.556 38.460 0.001 0.000 1.275 1129 Y HN 0.902 nan 8.280 nan 0.000 0.491 1130 N N 0.706 119.425 118.700 0.031 0.000 2.525 1130 N HA 0.666 5.406 4.740 -0.000 0.000 0.270 1130 N C -1.860 173.755 175.510 0.175 0.000 1.321 1130 N CA -0.873 52.110 53.050 -0.112 0.000 0.797 1130 N CB 2.083 40.467 38.487 -0.172 0.000 1.529 1130 N HN 0.769 nan 8.380 nan 0.000 0.491 1131 F N -1.380 118.510 119.950 -0.099 0.000 2.693 1131 F HA 0.507 5.034 4.527 -0.000 0.000 0.309 1131 F C -0.443 175.283 175.800 -0.123 0.000 1.129 1131 F CA -0.980 56.979 58.000 -0.068 0.000 0.948 1131 F CB 0.480 39.507 39.000 0.044 0.000 1.315 1131 F HN 0.114 nan 8.300 nan 0.000 0.447 1132 V N 0.275 120.163 119.914 -0.043 0.000 2.575 1132 V HA 0.304 4.424 4.120 -0.000 0.000 0.242 1132 V C 0.746 176.907 176.094 0.111 0.000 1.045 1132 V CA 0.803 63.032 62.300 -0.117 0.000 1.065 1132 V CB -0.248 31.392 31.823 -0.304 0.000 0.717 1132 V HN 0.705 nan 8.190 nan 0.000 0.467 1133 R N -1.081 119.576 120.500 0.261 0.000 2.836 1133 R HA 0.812 5.152 4.340 -0.000 0.000 0.269 1133 R C -0.983 175.270 176.300 -0.077 0.000 1.010 1133 R CA -0.055 56.127 56.100 0.136 0.000 0.930 1133 R CB 2.390 32.720 30.300 0.050 0.000 1.218 1133 R HN 0.297 nan 8.270 nan 0.000 0.473 1134 A N -0.235 122.317 122.820 -0.446 0.000 2.583 1134 A HA 0.311 4.631 4.320 -0.000 0.000 0.289 1134 A C 0.634 177.738 177.584 -0.799 0.000 1.151 1134 A CA -0.692 50.923 52.037 -0.702 0.000 0.695 1134 A CB 0.680 19.398 19.000 -0.470 0.000 1.290 1134 A HN 1.029 nan 8.150 nan 0.000 0.419 1135 H N 0.142 118.944 119.070 -0.446 0.000 2.431 1135 H HA -0.163 4.393 4.556 0.000 0.000 0.297 1135 H C -0.006 175.341 175.328 0.031 0.000 1.115 1135 H CA 1.920 57.900 56.048 -0.114 0.000 1.277 1135 H CB -0.134 29.549 29.762 -0.132 0.000 1.372 1135 H HN 0.609 nan 8.280 nan 0.000 0.516 1136 D N -0.139 119.924 120.400 -0.563 0.000 2.696 1136 D HA 0.205 4.845 4.640 -0.000 0.000 0.269 1136 D C -0.425 175.812 176.300 -0.105 0.000 1.319 1136 D CA -0.531 53.334 54.000 -0.226 0.000 0.826 1136 D CB 0.050 40.724 40.800 -0.209 0.000 1.086 1136 D HN 0.164 nan 8.370 nan 0.000 0.481 1137 S N 0.579 116.233 115.700 -0.077 0.000 2.774 1137 S HA 0.320 4.790 4.470 -0.000 0.000 0.297 1137 S C -0.167 174.462 174.600 0.050 0.000 1.143 1137 S CA -0.491 57.749 58.200 0.067 0.000 1.090 1137 S CB -0.183 63.225 63.200 0.346 0.000 1.019 1137 S HN 0.172 nan 8.310 nan 0.000 0.482 1138 N N 2.073 120.814 118.700 0.067 0.000 2.735 1138 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 1138 N C 0.295 175.885 175.510 0.133 0.000 1.083 1138 N CA 1.093 54.207 53.050 0.106 0.000 0.703 1138 N CB -1.294 37.263 38.487 0.115 0.000 1.005 1138 N HN 0.706 nan 8.380 nan 0.000 0.550 1139 A N 0.121 123.006 122.820 0.109 0.000 1.848 1139 A HA 0.040 4.360 4.320 -0.000 0.000 0.184 1139 A C 1.729 179.392 177.584 0.131 0.000 1.946 1139 A CA 0.765 52.896 52.037 0.156 0.000 1.093 1139 A CB -0.271 18.830 19.000 0.169 0.000 1.014 1139 A HN 0.312 nan 8.150 nan 0.000 0.638 1140 Q N 0.023 119.953 119.800 0.216 0.000 2.170 1140 Q HA -0.206 4.134 4.340 -0.000 0.000 0.203 1140 Q C 0.787 176.884 176.000 0.162 0.000 0.976 1140 Q CA 1.957 57.952 55.803 0.319 0.000 0.858 1140 Q CB -0.439 28.474 28.738 0.293 0.000 0.907 1140 Q HN 0.474 nan 8.270 nan 0.000 0.433 1141 D N 1.075 121.564 120.400 0.148 0.000 2.084 1141 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 1141 D C 1.973 178.356 176.300 0.138 0.000 0.985 1141 D CA 1.450 55.568 54.000 0.197 0.000 0.826 1141 D CB -0.173 40.738 40.800 0.186 0.000 0.978 1141 D HN 0.330 nan 8.370 nan 0.000 0.456 1142 Q N 0.091 119.955 119.800 0.106 0.000 2.119 1142 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 1142 Q C 2.332 178.211 176.000 -0.201 0.000 0.972 1142 Q CA 0.654 56.516 55.803 0.098 0.000 0.847 1142 Q CB -0.076 28.848 28.738 0.309 0.000 0.903 1142 Q HN 0.347 nan 8.270 nan 0.000 0.433 1143 I N 0.130 120.445 120.570 -0.424 0.000 2.226 1143 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 1143 I C 2.176 177.868 176.117 -0.710 0.000 1.100 1143 I CA 1.185 61.946 61.300 -0.898 0.000 1.374 1143 I CB -0.205 36.978 38.000 -1.361 0.000 1.057 1143 I HN 0.160 nan 8.210 nan 0.000 0.413 1144 R N 0.390 120.612 120.500 -0.464 0.000 2.120 1144 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 1144 R C 2.295 178.390 176.300 -0.342 0.000 1.123 1144 R CA 1.267 57.099 56.100 -0.447 0.000 0.975 1144 R CB -0.259 29.701 30.300 -0.565 0.000 0.866 1144 R HN 0.504 nan 8.270 nan 0.000 0.446 1145 Q N -0.111 119.563 119.800 -0.211 0.000 2.084 1145 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 1145 Q C 2.186 177.813 176.000 -0.622 0.000 0.978 1145 Q CA 1.578 57.273 55.803 -0.181 0.000 0.844 1145 Q CB -0.107 28.602 28.738 -0.049 0.000 0.898 1145 Q HN 0.358 nan 8.270 nan 0.000 0.426 1146 A N 0.815 122.961 122.820 -1.122 0.000 1.898 1146 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 1146 A C 2.039 179.225 177.584 -0.663 0.000 1.181 1146 A CA 1.045 52.224 52.037 -1.429 0.000 0.620 1146 A CB -0.567 17.706 19.000 -1.213 0.000 0.819 1146 A HN 0.295 nan 8.150 nan 0.000 0.442 1147 I N -0.514 119.740 120.570 -0.526 0.000 2.226 1147 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 1147 I C 2.795 178.795 176.117 -0.196 0.000 1.100 1147 I CA 1.838 62.923 61.300 -0.357 0.000 1.374 1147 I CB -0.336 37.381 38.000 -0.471 0.000 1.057 1147 I HN 0.544 nan 8.210 nan 0.000 0.413 1148 Q N 1.179 120.880 119.800 -0.164 0.000 2.084 1148 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 1148 Q C 2.302 178.301 176.000 -0.002 0.000 0.978 1148 Q CA 1.950 57.736 55.803 -0.028 0.000 0.844 1148 Q CB -0.098 28.675 28.738 0.059 0.000 0.898 1148 Q HN 0.537 nan 8.270 nan 0.000 0.426 1149 A N 0.515 123.318 122.820 -0.028 0.000 1.930 1149 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 1149 A C 2.211 179.833 177.584 0.063 0.000 1.175 1149 A CA 1.448 53.534 52.037 0.081 0.000 0.627 1149 A CB -0.752 18.394 19.000 0.243 0.000 0.815 1149 A HN 0.545 nan 8.150 nan 0.000 0.443 1150 A N -0.753 122.061 122.820 -0.011 0.000 2.016 1150 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 1150 A C 2.227 179.820 177.584 0.016 0.000 1.162 1150 A CA 2.186 54.230 52.037 0.012 0.000 0.662 1150 A CB -0.639 18.345 19.000 -0.027 0.000 0.812 1150 A HN 0.748 nan 8.150 nan 0.000 0.450 1151 T N -6.425 108.133 114.554 0.006 0.000 2.955 1151 T HA 0.423 4.773 4.350 -0.000 0.000 0.251 1151 T C 1.475 176.195 174.700 0.035 0.000 1.002 1151 T CA 1.115 63.227 62.100 0.020 0.000 0.970 1151 T CB 0.358 69.238 68.868 0.020 0.000 1.091 1151 T HN 1.624 nan 8.240 nan 0.000 0.495 1152 G N 1.827 110.651 108.800 0.040 0.000 2.179 1152 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 1152 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 1152 G C 0.047 174.980 174.900 0.054 0.000 0.977 1152 G CA 0.335 45.465 45.100 0.050 0.000 0.641 1152 G HN 0.698 nan 8.290 nan 0.000 0.533 1153 K N 1.039 121.472 120.400 0.054 0.000 2.168 1153 K HA 0.422 4.742 4.320 -0.000 0.000 0.258 1153 K C -2.226 174.421 176.600 0.077 0.000 1.010 1153 K CA -1.685 54.639 56.287 0.063 0.000 0.929 1153 K CB 0.454 32.995 32.500 0.069 0.000 0.998 1153 K HN 0.006 nan 8.250 nan 0.000 0.479 1154 P HA -0.148 nan 4.420 nan 0.000 0.265 1154 P C -0.869 176.514 177.300 0.138 0.000 1.187 1154 P CA 0.203 63.365 63.100 0.103 0.000 0.766 1154 P CB 0.155 31.904 31.700 0.083 0.000 0.820 1155 Y N 2.607 122.928 120.300 0.036 0.000 2.881 1155 Y HA 0.125 4.675 4.550 0.000 0.000 0.335 1155 Y C 1.706 177.649 175.900 0.072 0.000 1.263 1155 Y CA 2.082 60.208 58.100 0.043 0.000 1.572 1155 Y CB -0.467 38.002 38.460 0.016 0.000 1.237 1155 Y HN 0.803 nan 8.280 nan 0.000 0.568 1156 G N 3.839 112.429 108.800 -0.351 0.000 2.199 1156 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 1156 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 1156 G C -0.076 174.791 174.900 -0.055 0.000 0.982 1156 G CA 0.187 45.182 45.100 -0.176 0.000 0.632 1156 G HN 0.620 nan 8.290 nan 0.000 0.529 1157 E N 0.110 120.321 120.200 0.018 0.000 2.109 1157 E HA 0.606 4.956 4.350 -0.000 0.000 0.278 1157 E C -0.414 176.229 176.600 0.071 0.000 0.954 1157 E CA -0.662 55.700 56.400 -0.062 0.000 0.779 1157 E CB 0.691 30.385 29.700 -0.009 0.000 1.093 1157 E HN 0.587 nan 8.360 nan 0.000 0.401 1158 F N 0.460 120.393 119.950 -0.029 0.000 2.665 1158 F HA 0.412 4.939 4.527 -0.000 0.000 0.308 1158 F C -0.620 175.174 175.800 -0.009 0.000 1.112 1158 F CA -1.538 56.449 58.000 -0.022 0.000 0.972 1158 F CB 0.631 39.613 39.000 -0.030 0.000 1.295 1158 F HN 0.235 nan 8.300 nan 0.000 0.440 1159 N N 1.542 120.339 118.700 0.162 0.000 2.476 1159 N HA 0.333 5.073 4.740 -0.000 0.000 0.287 1159 N C 0.433 176.055 175.510 0.185 0.000 1.262 1159 N CA -0.671 52.446 53.050 0.111 0.000 0.980 1159 N CB 0.371 38.884 38.487 0.044 0.000 1.163 1159 N HN 0.852 nan 8.380 nan 0.000 0.592 1160 L N -0.487 120.786 121.223 0.085 0.000 2.093 1160 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 1160 L C 1.099 177.947 176.870 -0.037 0.000 1.085 1160 L CA 1.797 56.645 54.840 0.013 0.000 0.755 1160 L CB -0.922 41.103 42.059 -0.057 0.000 0.904 1160 L HN 0.500 nan 8.230 nan 0.000 0.435 1161 D N -0.010 120.385 120.400 -0.008 0.000 2.104 1161 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 1161 D C 1.756 178.058 176.300 0.004 0.000 0.994 1161 D CA 1.534 55.529 54.000 -0.008 0.000 0.830 1161 D CB -0.207 40.597 40.800 0.006 0.000 0.959 1161 D HN 0.411 nan 8.370 nan 0.000 0.452 1162 D N 0.517 120.941 120.400 0.039 0.000 2.104 1162 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 1162 D C 1.911 178.191 176.300 -0.034 0.000 0.994 1162 D CA 0.800 54.824 54.000 0.039 0.000 0.830 1162 D CB -0.368 40.512 40.800 0.133 0.000 0.959 1162 D HN 0.409 nan 8.370 nan 0.000 0.452 1163 E N 0.901 121.086 120.200 -0.025 0.000 2.070 1163 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 1163 E C 1.816 178.368 176.600 -0.080 0.000 1.004 1163 E CA 1.234 57.541 56.400 -0.156 0.000 0.805 1163 E CB 0.139 29.827 29.700 -0.020 0.000 0.744 1163 E HN 0.182 nan 8.360 nan 0.000 0.451 1164 K N 0.300 120.675 120.400 -0.042 0.000 2.097 1164 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 1164 K C 2.284 178.898 176.600 0.023 0.000 1.050 1164 K CA 1.107 57.415 56.287 0.036 0.000 0.938 1164 K CB -0.074 32.431 32.500 0.007 0.000 0.718 1164 K HN -0.005 nan 8.250 nan 0.000 0.442 1165 K N 0.455 120.849 120.400 -0.010 0.000 2.026 1165 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 1165 K C 2.214 178.792 176.600 -0.036 0.000 1.048 1165 K CA 1.552 57.834 56.287 -0.009 0.000 0.929 1165 K CB -0.252 32.243 32.500 -0.009 0.000 0.713 1165 K HN 0.253 nan 8.250 nan 0.000 0.439 1166 G N 0.985 109.723 108.800 -0.103 0.000 2.418 1166 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 1166 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 1166 G C 1.378 176.185 174.900 -0.154 0.000 1.158 1166 G CA 0.956 45.940 45.100 -0.192 0.000 0.771 1166 G HN 0.256 nan 8.290 nan 0.000 0.545 1167 M N 0.795 120.331 119.600 -0.106 0.000 2.117 1167 M HA 0.037 4.517 4.480 -0.000 0.000 0.262 1167 M C 2.217 178.563 176.300 0.077 0.000 1.065 1167 M CA 1.806 57.100 55.300 -0.009 0.000 1.114 1167 M CB -0.494 32.144 32.600 0.063 0.000 1.361 1167 M HN 0.423 nan 8.290 nan 0.000 0.408 1168 E N -0.589 119.642 120.200 0.051 0.000 2.058 1168 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 1168 E C 1.859 178.504 176.600 0.075 0.000 0.997 1168 E CA 1.491 57.921 56.400 0.049 0.000 0.801 1168 E CB -0.226 29.494 29.700 0.034 0.000 0.746 1168 E HN 0.592 nan 8.360 nan 0.000 0.450 1169 A N 0.187 123.062 122.820 0.091 0.000 1.933 1169 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 1169 A C 2.053 179.817 177.584 0.299 0.000 1.175 1169 A CA 1.542 53.691 52.037 0.186 0.000 0.628 1169 A CB -0.926 18.182 19.000 0.181 0.000 0.814 1169 A HN 0.593 nan 8.150 nan 0.000 0.444 1170 Y N 0.485 120.820 120.300 0.059 0.000 2.181 1170 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 1170 Y C 2.025 177.983 175.900 0.097 0.000 1.146 1170 Y CA 1.599 59.761 58.100 0.102 0.000 1.164 1170 Y CB -0.050 38.358 38.460 -0.087 0.000 0.982 1170 Y HN 0.238 nan 8.280 nan 0.000 0.515 1171 I N 0.453 121.071 120.570 0.081 0.000 2.353 1171 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 1171 I C 1.772 177.837 176.117 -0.088 0.000 1.119 1171 I CA 1.087 62.352 61.300 -0.057 0.000 1.417 1171 I CB -1.364 36.627 38.000 -0.015 0.000 1.078 1171 I HN 0.324 nan 8.210 nan 0.000 0.421 1172 N N 1.111 119.799 118.700 -0.020 0.000 2.104 1172 N HA -0.230 4.510 4.740 -0.000 0.000 0.190 1172 N C 1.618 177.089 175.510 -0.064 0.000 1.024 1172 N CA 1.627 54.657 53.050 -0.034 0.000 0.853 1172 N CB -0.410 38.084 38.487 0.011 0.000 1.008 1172 N HN 0.439 nan 8.380 nan 0.000 0.424 1173 D N 0.410 120.790 120.400 -0.034 0.000 2.117 1173 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 1173 D C 1.901 178.084 176.300 -0.196 0.000 0.982 1173 D CA 0.872 54.807 54.000 -0.109 0.000 0.828 1173 D CB -0.012 40.785 40.800 -0.004 0.000 0.967 1173 D HN 0.245 nan 8.370 nan 0.000 0.464 1174 Q N -0.395 119.254 119.800 -0.252 0.000 2.181 1174 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 1174 Q C 0.847 176.709 176.000 -0.230 0.000 0.980 1174 Q CA 1.206 56.846 55.803 -0.273 0.000 0.862 1174 Q CB 0.046 28.589 28.738 -0.325 0.000 0.905 1174 Q HN 0.234 nan 8.270 nan 0.000 0.429 1175 N N -0.049 118.527 118.700 -0.207 0.000 2.314 1175 N HA 0.081 4.821 4.740 -0.000 0.000 0.200 1175 N C -0.762 174.660 175.510 -0.146 0.000 1.135 1175 N CA 0.122 53.055 53.050 -0.194 0.000 0.835 1175 N CB 0.767 39.149 38.487 -0.175 0.000 0.989 1175 N HN -0.007 nan 8.380 nan 0.000 0.478 1176 S N -0.991 114.621 115.700 -0.146 0.000 2.651 1176 S HA 0.282 4.752 4.470 -0.000 0.000 0.291 1176 S C 1.279 175.815 174.600 -0.106 0.000 1.141 1176 S CA -0.548 57.582 58.200 -0.117 0.000 1.027 1176 S CB 2.100 65.225 63.200 -0.125 0.000 1.043 1176 S HN 0.078 nan 8.310 nan 0.000 0.530 1177 T N 2.032 116.553 114.554 -0.054 0.000 2.812 1177 T HA 0.017 4.367 4.350 -0.000 0.000 0.264 1177 T C 0.417 175.144 174.700 0.046 0.000 1.042 1177 T CA 0.995 63.096 62.100 0.002 0.000 1.140 1177 T CB -0.197 68.688 68.868 0.028 0.000 0.870 1177 T HN 0.406 nan 8.240 nan 0.000 0.445 1178 N N 2.801 121.509 118.700 0.015 0.000 2.420 1178 N HA 0.267 5.007 4.740 -0.000 0.000 0.249 1178 N C -0.749 174.708 175.510 -0.088 0.000 1.033 1178 N CA 0.031 53.114 53.050 0.054 0.000 0.944 1178 N CB 0.951 39.450 38.487 0.020 0.000 1.113 1178 N HN 0.400 nan 8.380 nan 0.000 0.502 1179 K N 1.656 121.953 120.400 -0.172 0.000 2.206 1179 K HA 0.315 4.635 4.320 -0.000 0.000 0.264 1179 K C 0.702 177.157 176.600 -0.242 0.000 0.967 1179 K CA -0.572 55.502 56.287 -0.355 0.000 0.844 1179 K CB 2.215 34.309 32.500 -0.677 0.000 1.099 1179 K HN 0.282 nan 8.250 nan 0.000 0.441 1180 K N 1.014 121.161 120.400 -0.421 0.000 2.276 1180 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 1180 K C 0.496 176.865 176.600 -0.384 0.000 1.052 1180 K CA 0.661 56.608 56.287 -0.567 0.000 0.984 1180 K CB 0.477 32.233 32.500 -1.241 0.000 0.836 1180 K HN 0.634 nan 8.250 nan 0.000 0.490 1181 W N 0.749 122.055 121.300 0.011 0.000 2.534 1181 W HA 0.294 4.954 4.660 0.000 0.000 0.339 1181 W C -0.092 176.466 176.519 0.064 0.000 0.961 1181 W CA -0.479 56.916 57.345 0.085 0.000 1.545 1181 W CB 0.106 29.674 29.460 0.180 0.000 1.104 1181 W HN -0.108 nan 8.180 nan 0.000 0.538 1182 N N 1.210 119.954 118.700 0.074 0.000 2.319 1182 N HA 0.401 5.141 4.740 -0.000 0.000 0.305 1182 N C -0.472 174.999 175.510 -0.065 0.000 1.103 1182 N CA -0.502 52.533 53.050 -0.024 0.000 0.815 1182 N CB 2.598 40.965 38.487 -0.200 0.000 1.288 1182 N HN -0.326 nan 8.380 nan 0.000 0.493 1183 L N 1.776 123.012 121.223 0.022 0.000 2.461 1183 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 1183 L C 0.033 176.877 176.870 -0.043 0.000 1.197 1183 L CA -0.093 54.776 54.840 0.049 0.000 0.836 1183 L CB 0.028 42.140 42.059 0.088 0.000 1.105 1183 L HN 0.396 nan 8.230 nan 0.000 0.477 1184 Y N 0.932 121.240 120.300 0.013 0.000 2.326 1184 Y HA 0.107 4.657 4.550 -0.000 0.000 0.324 1184 Y C 1.061 176.947 175.900 -0.025 0.000 1.291 1184 Y CA -0.309 57.793 58.100 0.002 0.000 1.348 1184 Y CB 0.491 38.952 38.460 0.000 0.000 1.294 1184 Y HN 0.607 nan 8.280 nan 0.000 0.525 1185 N N 0.882 119.663 118.700 0.135 0.000 2.727 1185 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 1185 N C 0.769 176.244 175.510 -0.059 0.000 1.048 1185 N CA 0.640 53.711 53.050 0.036 0.000 0.714 1185 N CB -0.506 38.011 38.487 0.050 0.000 0.959 1185 N HN 0.710 nan 8.380 nan 0.000 0.544 1186 M N -0.631 118.854 119.600 -0.190 0.000 2.080 1186 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 1186 M C -0.517 175.651 176.300 -0.220 0.000 1.068 1186 M CA 1.979 57.072 55.300 -0.345 0.000 1.109 1186 M CB -1.757 30.214 32.600 -1.049 0.000 1.342 1186 M HN 0.084 nan 8.290 nan 0.000 0.405 1187 P HA -0.092 nan 4.420 nan 0.000 0.215 1187 P C 1.645 178.899 177.300 -0.077 0.000 1.157 1187 P CA 1.524 64.541 63.100 -0.137 0.000 0.874 1187 P CB -0.037 31.590 31.700 -0.122 0.000 0.790 1188 S N -0.575 115.080 115.700 -0.074 0.000 2.368 1188 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 1188 S C 2.063 176.635 174.600 -0.046 0.000 1.030 1188 S CA 1.351 59.515 58.200 -0.060 0.000 0.999 1188 S CB -1.163 62.008 63.200 -0.048 0.000 0.844 1188 S HN 0.129 nan 8.310 nan 0.000 0.459 1189 A N 0.423 123.218 122.820 -0.040 0.000 1.908 1189 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 1189 A C 1.916 179.432 177.584 -0.113 0.000 1.181 1189 A CA 1.558 53.552 52.037 -0.072 0.000 0.627 1189 A CB -0.945 18.013 19.000 -0.069 0.000 0.818 1189 A HN 0.558 nan 8.150 nan 0.000 0.445 1190 Y N 0.329 120.555 120.300 -0.124 0.000 2.373 1190 Y HA -0.098 4.451 4.550 -0.000 0.000 0.293 1190 Y C 2.894 178.734 175.900 -0.099 0.000 1.129 1190 Y CA 1.692 59.726 58.100 -0.111 0.000 1.226 1190 Y CB -0.437 37.934 38.460 -0.149 0.000 1.000 1190 Y HN 0.302 nan 8.280 nan 0.000 0.549 1191 T N 0.403 114.970 114.554 0.021 0.000 2.746 1191 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 1191 T C 1.897 176.572 174.700 -0.041 0.000 1.039 1191 T CA 1.395 63.479 62.100 -0.026 0.000 1.142 1191 T CB -0.240 68.594 68.868 -0.056 0.000 0.866 1191 T HN 0.118 nan 8.240 nan 0.000 0.444 1192 I N 0.977 121.512 120.570 -0.059 0.000 2.179 1192 I HA -0.072 4.098 4.170 -0.000 0.000 0.242 1192 I C 2.375 178.442 176.117 -0.084 0.000 1.088 1192 I CA 0.990 62.248 61.300 -0.071 0.000 1.357 1192 I CB -1.345 36.607 38.000 -0.080 0.000 1.051 1192 I HN 0.223 nan 8.210 nan 0.000 0.409 1193 L N 0.803 121.952 121.223 -0.123 0.000 2.013 1193 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 1193 L C 2.150 178.981 176.870 -0.065 0.000 1.073 1193 L CA 2.003 56.759 54.840 -0.140 0.000 0.753 1193 L CB -0.506 41.388 42.059 -0.276 0.000 0.890 1193 L HN 0.160 nan 8.230 nan 0.000 0.432 1194 L N -1.439 119.766 121.223 -0.030 0.000 2.567 1194 L HA 0.063 4.402 4.340 -0.000 0.000 0.225 1194 L C 1.808 178.680 176.870 0.004 0.000 1.119 1194 L CA 0.827 55.672 54.840 0.008 0.000 0.871 1194 L CB -0.489 41.591 42.059 0.035 0.000 1.036 1194 L HN 0.471 nan 8.230 nan 0.000 0.459 1195 T N -5.418 109.127 114.554 -0.014 0.000 3.001 1195 T HA 0.140 4.490 4.350 -0.000 0.000 0.251 1195 T C 0.940 175.626 174.700 -0.023 0.000 1.040 1195 T CA -0.425 61.666 62.100 -0.015 0.000 0.985 1195 T CB -0.092 68.761 68.868 -0.025 0.000 1.011 1195 T HN -0.022 nan 8.240 nan 0.000 0.509 1196 N N 2.926 121.608 118.700 -0.031 0.000 2.407 1196 N HA 0.142 4.882 4.740 -0.000 0.000 0.250 1196 N C -0.157 175.343 175.510 -0.016 0.000 1.236 1196 N CA 0.265 53.295 53.050 -0.033 0.000 0.879 1196 N CB 0.833 39.292 38.487 -0.047 0.000 1.088 1196 N HN 0.524 nan 8.380 nan 0.000 0.450 1197 K N 0.765 121.157 120.400 -0.013 0.000 2.107 1197 K HA 0.025 4.345 4.320 -0.000 0.000 0.251 1197 K C -0.518 176.081 176.600 -0.002 0.000 1.012 1197 K CA -0.266 56.023 56.287 0.003 0.000 0.920 1197 K CB 0.550 33.058 32.500 0.012 0.000 1.033 1197 K HN 0.478 nan 8.250 nan 0.000 0.478 1198 D N 0.740 121.145 120.400 0.009 0.000 2.699 1198 D HA -0.159 4.481 4.640 -0.000 0.000 0.239 1198 D C -1.369 174.925 176.300 -0.010 0.000 1.136 1198 D CA 1.076 55.078 54.000 0.003 0.000 0.668 1198 D CB -0.912 39.888 40.800 -0.001 0.000 1.060 1198 D HN 0.390 nan 8.370 nan 0.000 0.429 1199 S N -0.850 114.849 115.700 -0.002 0.000 2.535 1199 S HA 0.469 4.939 4.470 -0.000 0.000 0.272 1199 S C -0.931 173.679 174.600 0.018 0.000 1.149 1199 S CA -0.665 57.531 58.200 -0.007 0.000 0.888 1199 S CB 1.998 65.183 63.200 -0.027 0.000 1.110 1199 S HN -0.035 nan 8.310 nan 0.000 0.463 1200 V N 6.547 126.485 119.914 0.040 0.000 2.318 1200 V HA 0.448 4.568 4.120 -0.000 0.000 0.271 1200 V C -2.004 174.156 176.094 0.109 0.000 1.030 1200 V CA -1.630 60.707 62.300 0.061 0.000 0.844 1200 V CB 0.942 32.793 31.823 0.046 0.000 1.015 1200 V HN 0.705 nan 8.190 nan 0.000 0.460 1201 P HA 0.258 nan 4.420 nan 0.000 0.275 1201 P C -0.687 176.707 177.300 0.157 0.000 1.228 1201 P CA -0.529 62.632 63.100 0.103 0.000 0.786 1201 P CB 1.151 32.889 31.700 0.063 0.000 0.927 1202 R N 2.232 122.862 120.500 0.217 0.000 2.409 1202 R HA 0.444 4.784 4.340 -0.000 0.000 0.313 1202 R C -1.096 175.366 176.300 0.270 0.000 0.953 1202 R CA -0.764 55.475 56.100 0.233 0.000 0.849 1202 R CB 1.097 31.551 30.300 0.257 0.000 1.171 1202 R HN 0.227 nan 8.270 nan 0.000 0.458 1203 V N 4.960 125.061 119.914 0.311 0.000 2.546 1203 V HA 0.173 4.293 4.120 -0.000 0.000 0.284 1203 V C -0.526 175.849 176.094 0.468 0.000 1.050 1203 V CA -0.515 62.049 62.300 0.439 0.000 0.981 1203 V CB 1.039 33.081 31.823 0.364 0.000 0.990 1203 V HN 0.601 nan 8.190 nan 0.000 0.474 1204 Y N 4.094 124.602 120.300 0.346 0.000 2.320 1204 Y HA 0.270 4.820 4.550 -0.000 0.000 0.334 1204 Y C 0.730 176.789 175.900 0.265 0.000 1.055 1204 Y CA -1.385 56.848 58.100 0.222 0.000 1.143 1204 Y CB 0.788 39.385 38.460 0.228 0.000 1.193 1204 Y HN 0.682 nan 8.280 nan 0.000 0.477 1205 Y N 4.326 124.340 120.300 -0.478 0.000 2.102 1205 Y HA -0.227 4.323 4.550 -0.000 0.000 0.280 1205 Y C 1.983 177.637 175.900 -0.411 0.000 1.178 1205 Y CA 2.484 60.383 58.100 -0.336 0.000 1.146 1205 Y CB -0.452 37.749 38.460 -0.432 0.000 0.968 1205 Y HN 0.801 nan 8.280 nan 0.000 0.504 1206 G N -0.947 107.154 108.800 -1.166 0.000 2.848 1206 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.208 1206 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.208 1206 G C 0.926 175.762 174.900 -0.106 0.000 1.152 1206 G CA 0.729 45.522 45.100 -0.512 0.000 0.789 1206 G HN 0.444 nan 8.290 nan 0.000 0.531 1207 D N -0.082 120.269 120.400 -0.082 0.000 2.354 1207 D HA 0.116 4.756 4.640 -0.000 0.000 0.209 1207 D C 2.302 178.498 176.300 -0.172 0.000 1.015 1207 D CA 0.066 54.063 54.000 -0.004 0.000 0.867 1207 D CB 0.584 41.382 40.800 -0.003 0.000 0.933 1207 D HN 0.328 nan 8.370 nan 0.000 0.520 1208 L N -1.049 120.003 121.223 -0.285 0.000 2.362 1208 L HA 0.104 4.444 4.340 -0.000 0.000 0.204 1208 L C 0.061 176.539 176.870 -0.653 0.000 1.060 1208 L CA 0.512 55.078 54.840 -0.456 0.000 0.827 1208 L CB 0.238 41.998 42.059 -0.499 0.000 1.027 1208 L HN -0.098 nan 8.230 nan 0.000 0.474 1209 Y N -0.500 119.586 120.300 -0.358 0.000 2.524 1209 Y HA 0.351 4.901 4.550 -0.000 0.000 0.344 1209 Y C -0.016 175.665 175.900 -0.363 0.000 1.012 1209 Y CA -1.167 56.680 58.100 -0.423 0.000 1.068 1209 Y CB 1.051 39.064 38.460 -0.745 0.000 1.249 1209 Y HN -0.085 nan 8.280 nan 0.000 0.468 1210 Q N 2.189 121.986 119.800 -0.005 0.000 2.300 1210 Q HA -0.038 4.302 4.340 -0.000 0.000 0.280 1210 Q C 0.339 176.392 176.000 0.088 0.000 1.033 1210 Q CA 0.029 55.861 55.803 0.049 0.000 0.903 1210 Q CB 0.779 29.570 28.738 0.088 0.000 1.195 1210 Q HN 0.747 nan 8.270 nan 0.000 0.386 1211 D N 2.313 122.812 120.400 0.166 0.000 2.106 1211 D HA -0.120 4.520 4.640 -0.000 0.000 0.191 1211 D C 0.584 177.033 176.300 0.249 0.000 0.997 1211 D CA 1.274 55.432 54.000 0.263 0.000 0.834 1211 D CB 0.123 41.072 40.800 0.247 0.000 0.956 1211 D HN 0.667 nan 8.370 nan 0.000 0.448 1212 G N -0.897 107.970 108.800 0.113 0.000 2.372 1212 G HA2 0.495 4.455 3.960 -0.000 0.000 0.283 1212 G HA3 0.495 4.455 3.960 -0.000 0.000 0.283 1212 G C 0.039 174.719 174.900 -0.366 0.000 1.177 1212 G CA 0.348 45.430 45.100 -0.029 0.000 0.842 1212 G HN 0.439 nan 8.290 nan 0.000 0.503 1213 G N 0.643 108.725 108.800 -1.196 0.000 2.368 1213 G HA2 0.292 4.252 3.960 -0.000 0.000 0.302 1213 G HA3 0.292 4.252 3.960 -0.000 0.000 0.302 1213 G C -0.705 173.861 174.900 -0.556 0.000 1.329 1213 G CA -0.993 43.546 45.100 -0.935 0.000 0.935 1213 G HN 0.679 nan 8.290 nan 0.000 0.590 1214 Q N -0.988 118.737 119.800 -0.125 0.000 2.524 1214 Q HA 0.156 4.496 4.340 -0.000 0.000 0.246 1214 Q C -0.163 175.884 176.000 0.078 0.000 1.063 1214 Q CA -0.146 55.684 55.803 0.045 0.000 0.945 1214 Q CB 0.434 29.222 28.738 0.084 0.000 1.292 1214 Q HN 0.577 nan 8.270 nan 0.000 0.518 1215 Y N 1.268 121.573 120.300 0.008 0.000 2.650 1215 Y HA -0.109 4.441 4.550 -0.000 0.000 0.331 1215 Y C 0.943 176.852 175.900 0.015 0.000 1.165 1215 Y CA 0.962 59.087 58.100 0.042 0.000 1.473 1215 Y CB -0.019 38.441 38.460 0.001 0.000 1.224 1215 Y HN 0.735 nan 8.280 nan 0.000 0.533 1216 M N 3.040 122.385 119.600 -0.425 0.000 2.818 1216 M HA -0.388 4.092 4.480 -0.000 0.000 0.194 1216 M C 1.392 177.542 176.300 -0.252 0.000 0.586 1216 M CA 1.428 56.323 55.300 -0.675 0.000 0.664 1216 M CB -0.996 31.139 32.600 -0.776 0.000 2.418 1216 M HN 0.822 nan 8.290 nan 0.000 0.517 1217 E N 0.621 120.728 120.200 -0.155 0.000 2.077 1217 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 1217 E C 0.219 176.565 176.600 -0.424 0.000 0.989 1217 E CA 1.103 57.338 56.400 -0.275 0.000 0.800 1217 E CB 0.363 29.891 29.700 -0.287 0.000 0.746 1217 E HN 0.610 nan 8.360 nan 0.000 0.452 1218 H N -0.524 118.568 119.070 0.037 0.000 2.894 1218 H HA 0.334 4.890 4.556 0.000 0.000 0.367 1218 H C -0.862 174.484 175.328 0.030 0.000 1.144 1218 H CA -0.710 55.347 56.048 0.014 0.000 1.180 1218 H CB 1.528 31.285 29.762 -0.008 0.000 1.758 1218 H HN -0.071 nan 8.280 nan 0.000 0.541 1219 K N 1.294 121.717 120.400 0.039 0.000 2.144 1219 K HA 0.238 4.558 4.320 -0.000 0.000 0.270 1219 K C 0.661 177.179 176.600 -0.135 0.000 1.005 1219 K CA -0.486 55.698 56.287 -0.172 0.000 0.932 1219 K CB 1.024 33.290 32.500 -0.389 0.000 1.021 1219 K HN 0.649 nan 8.250 nan 0.000 0.462 1220 T N -1.478 112.971 114.554 -0.175 0.000 2.788 1220 T HA 0.070 4.420 4.350 -0.000 0.000 0.287 1220 T C 1.196 175.740 174.700 -0.261 0.000 1.007 1220 T CA -0.532 61.448 62.100 -0.199 0.000 1.005 1220 T CB 0.778 69.546 68.868 -0.168 0.000 1.012 1220 T HN 0.764 nan 8.240 nan 0.000 0.530 1221 R N -0.316 119.922 120.500 -0.438 0.000 2.293 1221 R HA -0.075 4.265 4.340 -0.000 0.000 0.219 1221 R C 0.764 176.791 176.300 -0.454 0.000 1.091 1221 R CA 1.218 57.036 56.100 -0.470 0.000 1.004 1221 R CB -0.665 29.274 30.300 -0.600 0.000 0.865 1221 R HN 0.714 nan 8.270 nan 0.000 0.469 1222 Y N -0.751 119.448 120.300 -0.169 0.000 2.462 1222 Y HA 0.142 4.692 4.550 -0.000 0.000 0.261 1222 Y C 1.575 177.302 175.900 -0.287 0.000 1.146 1222 Y CA -1.141 56.818 58.100 -0.234 0.000 1.283 1222 Y CB -0.366 37.924 38.460 -0.283 0.000 1.090 1222 Y HN 0.002 nan 8.280 nan 0.000 0.526 1223 F N 1.621 121.408 119.950 -0.272 0.000 2.091 1223 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 1223 F C 1.760 177.367 175.800 -0.323 0.000 1.103 1223 F CA 1.997 59.770 58.000 -0.378 0.000 1.228 1223 F CB -0.050 38.707 39.000 -0.405 0.000 0.984 1223 F HN -0.030 nan 8.300 nan 0.000 0.477 1224 D N -0.498 119.880 120.400 -0.036 0.000 2.117 1224 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 1224 D C 2.326 178.474 176.300 -0.254 0.000 0.982 1224 D CA 1.901 55.833 54.000 -0.113 0.000 0.828 1224 D CB -0.739 40.040 40.800 -0.036 0.000 0.967 1224 D HN 0.298 nan 8.370 nan 0.000 0.464 1225 T N 1.104 115.525 114.554 -0.223 0.000 2.674 1225 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 1225 T C 2.226 176.744 174.700 -0.302 0.000 1.039 1225 T CA 0.720 62.685 62.100 -0.225 0.000 1.150 1225 T CB -0.188 68.589 68.868 -0.152 0.000 0.864 1225 T HN 0.150 nan 8.240 nan 0.000 0.427 1226 I N 1.581 121.902 120.570 -0.415 0.000 2.353 1226 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 1226 I C 2.886 178.657 176.117 -0.576 0.000 1.119 1226 I CA 1.392 62.389 61.300 -0.506 0.000 1.417 1226 I CB -0.627 36.946 38.000 -0.711 0.000 1.078 1226 I HN 0.407 nan 8.210 nan 0.000 0.421 1227 T N -1.647 112.433 114.554 -0.789 0.000 2.904 1227 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 1227 T C 1.703 176.158 174.700 -0.407 0.000 1.059 1227 T CA 1.349 62.940 62.100 -0.849 0.000 1.137 1227 T CB -0.483 67.688 68.868 -1.163 0.000 0.879 1227 T HN 0.208 nan 8.240 nan 0.000 0.467 1228 N N 1.573 120.089 118.700 -0.307 0.000 2.120 1228 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 1228 N C 1.798 177.235 175.510 -0.121 0.000 1.024 1228 N CA 1.217 54.169 53.050 -0.163 0.000 0.852 1228 N CB -0.689 37.706 38.487 -0.155 0.000 1.003 1228 N HN 0.456 nan 8.380 nan 0.000 0.424 1229 L N -0.009 121.119 121.223 -0.158 0.000 2.042 1229 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 1229 L C 2.336 179.168 176.870 -0.062 0.000 1.076 1229 L CA 0.852 55.633 54.840 -0.098 0.000 0.749 1229 L CB -0.413 41.587 42.059 -0.097 0.000 0.893 1229 L HN 0.231 nan 8.230 nan 0.000 0.432 1230 L N -0.523 120.627 121.223 -0.121 0.000 2.027 1230 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 1230 L C 2.658 179.545 176.870 0.028 0.000 1.074 1230 L CA 1.434 56.241 54.840 -0.056 0.000 0.745 1230 L CB -0.392 41.580 42.059 -0.146 0.000 0.898 1230 L HN 0.183 nan 8.230 nan 0.000 0.433 1231 K N -0.829 119.585 120.400 0.024 0.000 2.097 1231 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 1231 K C 2.025 178.681 176.600 0.093 0.000 1.050 1231 K CA 1.683 58.016 56.287 0.077 0.000 0.938 1231 K CB -0.272 32.277 32.500 0.081 0.000 0.718 1231 K HN 0.273 nan 8.250 nan 0.000 0.442 1232 T N 0.888 115.505 114.554 0.105 0.000 2.867 1232 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 1232 T C 1.789 176.620 174.700 0.219 0.000 1.057 1232 T CA 0.973 63.207 62.100 0.223 0.000 1.136 1232 T CB -0.072 68.872 68.868 0.125 0.000 0.874 1232 T HN 0.263 nan 8.240 nan 0.000 0.466 1233 R N 0.619 121.187 120.500 0.114 0.000 2.073 1233 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 1233 R C 2.319 178.674 176.300 0.090 0.000 1.134 1233 R CA 1.236 57.394 56.100 0.097 0.000 0.952 1233 R CB -0.546 29.792 30.300 0.063 0.000 0.850 1233 R HN 0.217 nan 8.270 nan 0.000 0.433 1234 V N 1.337 121.295 119.914 0.073 0.000 2.287 1234 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 1234 V C 2.420 178.515 176.094 0.002 0.000 1.053 1234 V CA 2.214 64.541 62.300 0.044 0.000 1.027 1234 V CB -0.459 31.389 31.823 0.042 0.000 0.646 1234 V HN 0.402 nan 8.190 nan 0.000 0.447 1235 K N -1.641 118.740 120.400 -0.032 0.000 2.167 1235 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 1235 K C 1.778 178.173 176.600 -0.341 0.000 1.052 1235 K CA 1.529 57.668 56.287 -0.247 0.000 0.956 1235 K CB 0.018 32.273 32.500 -0.408 0.000 0.735 1235 K HN 0.576 nan 8.250 nan 0.000 0.451 1236 Y N -1.165 119.154 120.300 0.031 0.000 2.512 1236 Y HA 0.228 4.778 4.550 0.000 0.000 0.268 1236 Y C 0.021 175.948 175.900 0.044 0.000 1.102 1236 Y CA -0.618 57.505 58.100 0.038 0.000 1.261 1236 Y CB 1.060 39.538 38.460 0.031 0.000 1.250 1236 Y HN -0.295 nan 8.280 nan 0.000 0.506 1237 V N 1.903 121.926 119.914 0.181 0.000 2.385 1237 V HA 0.736 4.856 4.120 -0.000 0.000 0.269 1237 V C 0.056 176.207 176.094 0.094 0.000 1.043 1237 V CA -0.108 62.264 62.300 0.121 0.000 0.906 1237 V CB 0.153 32.028 31.823 0.087 0.000 0.995 1237 V HN 0.270 nan 8.190 nan 0.000 0.467 1238 A N 4.063 126.941 122.820 0.096 0.000 2.515 1238 A HA 0.901 5.221 4.320 -0.000 0.000 0.292 1238 A C -0.011 177.644 177.584 0.117 0.000 1.065 1238 A CA 0.067 52.161 52.037 0.094 0.000 0.641 1238 A CB 0.781 19.838 19.000 0.095 0.000 1.306 1238 A HN 2.213 nan 8.150 nan 0.000 0.441 1239 G N -1.199 107.676 108.800 0.125 0.000 2.725 1239 G HA2 0.443 4.403 3.960 -0.000 0.000 0.220 1239 G HA3 0.443 4.403 3.960 -0.000 0.000 0.220 1239 G C 0.820 175.831 174.900 0.185 0.000 1.357 1239 G CA 0.254 45.462 45.100 0.180 0.000 0.866 1239 G HN 2.438 nan 8.290 nan 0.000 0.548 1240 G N -0.946 108.046 108.800 0.319 0.000 2.667 1240 G HA2 0.550 4.510 3.960 -0.000 0.000 0.250 1240 G HA3 0.550 4.510 3.960 -0.000 0.000 0.250 1240 G C 0.096 175.070 174.900 0.122 0.000 1.212 1240 G CA 0.997 46.285 45.100 0.314 0.000 0.874 1240 G HN 1.023 nan 8.290 nan 0.000 0.561 1241 Q N -1.462 118.377 119.800 0.066 0.000 2.397 1241 Q HA 0.605 4.945 4.340 -0.000 0.000 0.275 1241 Q C -0.780 175.207 176.000 -0.023 0.000 1.090 1241 Q CA -0.827 54.920 55.803 -0.094 0.000 0.809 1241 Q CB 2.112 30.823 28.738 -0.045 0.000 1.362 1241 Q HN 0.701 nan 8.270 nan 0.000 0.431 1242 T N 0.374 114.869 114.554 -0.098 0.000 2.900 1242 T HA 0.771 5.121 4.350 -0.000 0.000 0.295 1242 T C -0.416 174.274 174.700 -0.016 0.000 1.044 1242 T CA -0.853 61.251 62.100 0.007 0.000 0.995 1242 T CB 1.316 70.237 68.868 0.089 0.000 1.072 1242 T HN 0.613 nan 8.240 nan 0.000 0.473 1243 M N 2.463 122.069 119.600 0.011 0.000 2.324 1243 M HA 0.603 5.083 4.480 -0.000 0.000 0.288 1243 M C -0.887 175.427 176.300 0.023 0.000 1.097 1243 M CA -0.642 54.661 55.300 0.005 0.000 0.928 1243 M CB 2.627 35.222 32.600 -0.007 0.000 1.648 1243 M HN 1.063 nan 8.290 nan 0.000 0.460 1244 S N 1.563 117.279 115.700 0.027 0.000 2.596 1244 S HA 0.868 5.338 4.470 -0.000 0.000 0.270 1244 S C -1.510 173.106 174.600 0.027 0.000 1.155 1244 S CA -0.802 57.419 58.200 0.034 0.000 0.827 1244 S CB 2.188 65.421 63.200 0.055 0.000 1.130 1244 S HN 0.447 nan 8.310 nan 0.000 0.467 1245 V N 2.674 122.603 119.914 0.025 0.000 2.531 1245 V HA 0.518 4.638 4.120 -0.000 0.000 0.301 1245 V C -0.679 175.429 176.094 0.023 0.000 1.034 1245 V CA -0.619 61.694 62.300 0.021 0.000 0.865 1245 V CB 1.549 33.380 31.823 0.014 0.000 0.995 1245 V HN 1.104 nan 8.190 nan 0.000 0.424 1246 D N 4.337 124.750 120.400 0.022 0.000 2.506 1246 D HA 0.262 4.902 4.640 -0.000 0.000 0.272 1246 D C 0.901 177.210 176.300 0.016 0.000 1.214 1246 D CA -0.664 53.349 54.000 0.023 0.000 1.067 1246 D CB 0.734 41.548 40.800 0.023 0.000 1.117 1246 D HN 0.083 nan 8.370 nan 0.000 0.578 1247 K N -0.554 119.855 120.400 0.015 0.000 2.281 1247 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 1247 K C 0.833 177.437 176.600 0.006 0.000 1.046 1247 K CA 0.727 57.020 56.287 0.010 0.000 0.938 1247 K CB -0.442 32.064 32.500 0.010 0.000 0.737 1247 K HN 0.420 nan 8.250 nan 0.000 0.458 1248 N N -0.281 118.422 118.700 0.005 0.000 2.336 1248 N HA 0.013 4.753 4.740 -0.000 0.000 0.189 1248 N C 0.781 176.292 175.510 0.002 0.000 1.113 1248 N CA 0.826 53.876 53.050 -0.000 0.000 0.858 1248 N CB 0.890 39.374 38.487 -0.005 0.000 0.970 1248 N HN 0.332 nan 8.380 nan 0.000 0.471 1249 G N 1.035 109.839 108.800 0.007 0.000 2.143 1249 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.249 1249 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.249 1249 G C 0.014 174.923 174.900 0.014 0.000 0.981 1249 G CA -0.192 44.913 45.100 0.008 0.000 0.665 1249 G HN 0.314 nan 8.290 nan 0.000 0.528 1250 I N 0.676 121.256 120.570 0.016 0.000 2.365 1250 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 1250 I C 0.428 176.560 176.117 0.026 0.000 1.004 1250 I CA -1.041 60.275 61.300 0.026 0.000 1.311 1250 I CB 1.418 39.431 38.000 0.023 0.000 1.401 1250 I HN 0.104 nan 8.210 nan 0.000 0.491 1251 L N 7.251 128.492 121.223 0.029 0.000 2.276 1251 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 1251 L C 0.093 176.975 176.870 0.020 0.000 1.061 1251 L CA 0.320 55.172 54.840 0.020 0.000 0.807 1251 L CB 1.136 43.203 42.059 0.013 0.000 1.177 1251 L HN 0.688 nan 8.230 nan 0.000 0.429 1252 T N 1.733 116.295 114.554 0.014 0.000 2.770 1252 T HA 0.514 4.864 4.350 -0.000 0.000 0.283 1252 T C -0.390 174.307 174.700 -0.005 0.000 0.988 1252 T CA -0.726 61.377 62.100 0.005 0.000 0.957 1252 T CB 0.841 69.706 68.868 -0.005 0.000 0.930 1252 T HN 0.603 nan 8.240 nan 0.000 0.443 1253 N N 2.444 121.132 118.700 -0.020 0.000 2.399 1253 N HA 0.549 5.289 4.740 -0.000 0.000 0.280 1253 N C -1.481 173.983 175.510 -0.075 0.000 1.008 1253 N CA -0.618 52.406 53.050 -0.043 0.000 0.894 1253 N CB 1.693 40.156 38.487 -0.039 0.000 1.273 1253 N HN 0.550 nan 8.380 nan 0.000 0.486 1254 V N 3.506 123.338 119.914 -0.137 0.000 2.735 1254 V HA 0.639 4.759 4.120 -0.000 0.000 0.310 1254 V C -0.345 175.517 176.094 -0.387 0.000 1.061 1254 V CA -0.864 61.291 62.300 -0.241 0.000 0.913 1254 V CB 1.855 33.503 31.823 -0.292 0.000 1.005 1254 V HN 0.547 nan 8.190 nan 0.000 0.428 1255 R N 2.195 122.493 120.500 -0.337 0.000 2.637 1255 R HA 0.504 4.844 4.340 -0.000 0.000 0.291 1255 R C -0.222 175.894 176.300 -0.306 0.000 0.963 1255 R CA -0.652 55.252 56.100 -0.325 0.000 0.901 1255 R CB 1.348 31.593 30.300 -0.091 0.000 1.160 1255 R HN 0.636 nan 8.270 nan 0.000 0.457 1256 F N 0.176 120.208 119.950 0.138 0.000 2.664 1256 F HA 0.246 4.773 4.527 0.000 0.000 0.296 1256 F C 1.440 177.420 175.800 0.300 0.000 1.125 1256 F CA 0.693 58.826 58.000 0.222 0.000 1.444 1256 F CB 0.120 39.230 39.000 0.184 0.000 1.114 1256 F HN 0.824 nan 8.300 nan 0.000 0.576 1257 G N 0.798 109.795 108.800 0.328 0.000 2.662 1257 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 1257 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 1257 G C -0.655 174.373 174.900 0.212 0.000 1.271 1257 G CA -1.066 44.196 45.100 0.271 0.000 0.816 1257 G HN 0.199 nan 8.290 nan 0.000 0.608 1258 K N 0.360 120.850 120.400 0.150 0.000 2.451 1258 K HA 0.445 4.765 4.320 -0.000 0.000 0.280 1258 K C 1.502 178.163 176.600 0.101 0.000 1.020 1258 K CA 1.543 57.896 56.287 0.111 0.000 1.008 1258 K CB 0.007 32.554 32.500 0.078 0.000 0.917 1258 K HN 2.373 nan 8.250 nan 0.000 0.478 1259 G N 1.639 110.491 108.800 0.088 0.000 2.179 1259 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 1259 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 1259 G C -0.330 174.602 174.900 0.054 0.000 0.990 1259 G CA -0.100 45.036 45.100 0.060 0.000 0.646 1259 G HN 0.896 nan 8.290 nan 0.000 0.517 1260 A N -0.261 122.615 122.820 0.093 0.000 2.375 1260 A HA 0.806 5.126 4.320 -0.000 0.000 0.295 1260 A C 0.632 178.289 177.584 0.121 0.000 1.066 1260 A CA -0.186 51.886 52.037 0.058 0.000 0.722 1260 A CB 0.987 20.022 19.000 0.058 0.000 1.206 1260 A HN 0.122 nan 8.150 nan 0.000 0.435 1261 M N 0.909 120.531 119.600 0.037 0.000 2.615 1261 M HA 0.173 4.653 4.480 -0.000 0.000 0.262 1261 M C 0.133 176.466 176.300 0.055 0.000 1.198 1261 M CA 0.904 56.265 55.300 0.102 0.000 1.165 1261 M CB -0.415 32.221 32.600 0.059 0.000 1.310 1261 M HN 0.741 nan 8.290 nan 0.000 0.494 1262 N N -0.640 117.925 118.700 -0.224 0.000 2.381 1262 N HA 0.411 5.151 4.740 -0.000 0.000 0.294 1262 N C 0.496 175.440 175.510 -0.942 0.000 1.216 1262 N CA -0.006 52.828 53.050 -0.359 0.000 0.803 1262 N CB 1.590 39.972 38.487 -0.174 0.000 1.372 1262 N HN -0.091 nan 8.380 nan 0.000 0.500 1263 A N 0.155 122.521 122.820 -0.757 0.000 2.024 1263 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 1263 A C 1.810 179.184 177.584 -0.349 0.000 1.164 1263 A CA 2.207 53.874 52.037 -0.616 0.000 0.643 1263 A CB -0.893 18.075 19.000 -0.054 0.000 0.806 1263 A HN 0.795 nan 8.150 nan 0.000 0.451 1264 T N -2.730 111.671 114.554 -0.256 0.000 3.100 1264 T HA 0.074 4.424 4.350 -0.000 0.000 0.253 1264 T C 0.071 174.680 174.700 -0.150 0.000 1.118 1264 T CA 0.106 62.115 62.100 -0.153 0.000 1.058 1264 T CB -0.306 68.503 68.868 -0.099 0.000 0.953 1264 T HN 0.234 nan 8.240 nan 0.000 0.515 1265 D N 3.085 123.360 120.400 -0.208 0.000 2.443 1265 D HA 0.141 4.781 4.640 -0.000 0.000 0.239 1265 D C 1.468 177.691 176.300 -0.128 0.000 1.136 1265 D CA 0.442 54.351 54.000 -0.151 0.000 0.879 1265 D CB 1.601 42.305 40.800 -0.159 0.000 1.195 1265 D HN 0.424 nan 8.370 nan 0.000 0.443 1266 T N -0.788 113.714 114.554 -0.086 0.000 3.081 1266 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 1266 T C 1.059 175.713 174.700 -0.076 0.000 1.100 1266 T CA 0.206 62.260 62.100 -0.078 0.000 1.038 1266 T CB -0.036 68.801 68.868 -0.052 0.000 0.962 1266 T HN 0.684 nan 8.240 nan 0.000 0.516 1267 G N 1.369 110.133 108.800 -0.061 0.000 2.760 1267 G HA2 0.037 3.997 3.960 -0.000 0.000 0.246 1267 G HA3 0.037 3.997 3.960 -0.000 0.000 0.246 1267 G C -0.135 174.753 174.900 -0.020 0.000 1.359 1267 G CA -0.329 44.749 45.100 -0.037 0.000 0.861 1267 G HN 1.100 nan 8.290 nan 0.000 0.541 1268 T N -3.272 111.280 114.554 -0.003 0.000 2.876 1268 T HA 0.633 4.983 4.350 -0.000 0.000 0.277 1268 T C 0.982 175.684 174.700 0.004 0.000 0.997 1268 T CA 0.657 62.759 62.100 0.004 0.000 0.966 1268 T CB 1.345 70.221 68.868 0.014 0.000 1.312 1268 T HN 0.404 nan 8.240 nan 0.000 0.598 1269 D N 0.726 121.130 120.400 0.008 0.000 2.158 1269 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 1269 D C 1.947 178.257 176.300 0.017 0.000 0.995 1269 D CA 1.712 55.718 54.000 0.009 0.000 0.846 1269 D CB -0.116 40.690 40.800 0.009 0.000 0.941 1269 D HN 0.902 nan 8.370 nan 0.000 0.456 1270 E N -0.459 119.755 120.200 0.024 0.000 2.489 1270 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 1270 E C 1.190 177.824 176.600 0.058 0.000 1.057 1270 E CA 0.478 56.898 56.400 0.033 0.000 0.866 1270 E CB -0.106 29.611 29.700 0.029 0.000 0.916 1270 E HN 0.030 nan 8.360 nan 0.000 0.500 1271 T N 1.274 115.861 114.554 0.054 0.000 2.857 1271 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 1271 T C 1.716 176.497 174.700 0.134 0.000 1.048 1271 T CA 1.225 63.379 62.100 0.090 0.000 1.139 1271 T CB -0.139 68.748 68.868 0.032 0.000 0.874 1271 T HN 0.119 nan 8.240 nan 0.000 0.455 1272 R N 2.113 122.651 120.500 0.063 0.000 2.112 1272 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 1272 R C 1.913 178.359 176.300 0.243 0.000 1.137 1272 R CA 2.325 58.477 56.100 0.086 0.000 0.944 1272 R CB -1.058 29.271 30.300 0.050 0.000 0.857 1272 R HN 0.495 nan 8.270 nan 0.000 0.435 1273 T N -2.327 112.327 114.554 0.166 0.000 3.251 1273 T HA 0.331 4.681 4.350 -0.000 0.000 0.259 1273 T C -0.099 174.737 174.700 0.226 0.000 0.998 1273 T CA -0.522 61.668 62.100 0.151 0.000 0.905 1273 T CB -0.064 68.857 68.868 0.088 0.000 1.067 1273 T HN 0.259 nan 8.240 nan 0.000 0.569 1274 E N 0.253 120.623 120.200 0.283 0.000 2.370 1274 E HA 0.688 5.038 4.350 -0.000 0.000 0.259 1274 E C 0.176 176.956 176.600 0.300 0.000 0.947 1274 E CA -1.036 55.545 56.400 0.302 0.000 0.809 1274 E CB 1.810 31.634 29.700 0.206 0.000 1.300 1274 E HN 0.450 nan 8.360 nan 0.000 0.419 1275 G N 0.108 109.062 108.800 0.257 0.000 2.661 1275 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.685 1275 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.685 1275 G C -1.242 173.719 174.900 0.101 0.000 1.298 1275 G CA -0.406 44.788 45.100 0.157 0.000 0.855 1275 G HN 0.555 nan 8.290 nan 0.000 0.560 1276 I N -0.424 120.168 120.570 0.036 0.000 2.908 1276 I HA 0.729 4.899 4.170 -0.000 0.000 0.300 1276 I C 0.112 176.229 176.117 -0.001 0.000 1.385 1276 I CA -0.279 61.037 61.300 0.026 0.000 1.004 1276 I CB 2.242 40.245 38.000 0.005 0.000 1.309 1276 I HN 1.553 nan 8.210 nan 0.000 0.449 1277 G N 4.896 113.724 108.800 0.047 0.000 2.643 1277 G HA2 0.653 4.613 3.960 -0.000 0.000 0.305 1277 G HA3 0.653 4.613 3.960 -0.000 0.000 0.305 1277 G C -1.986 172.964 174.900 0.084 0.000 1.387 1277 G CA -0.407 44.708 45.100 0.024 0.000 0.982 1277 G HN 0.417 nan 8.290 nan 0.000 0.501 1278 V N 1.873 121.806 119.914 0.032 0.000 2.656 1278 V HA 0.583 4.703 4.120 -0.000 0.000 0.307 1278 V C -0.455 175.655 176.094 0.027 0.000 1.051 1278 V CA -0.719 61.593 62.300 0.021 0.000 0.893 1278 V CB 2.032 33.843 31.823 -0.021 0.000 0.999 1278 V HN 0.586 nan 8.190 nan 0.000 0.426 1279 V N 6.226 126.163 119.914 0.038 0.000 2.409 1279 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 1279 V C -0.432 175.714 176.094 0.085 0.000 1.020 1279 V CA -0.320 62.023 62.300 0.073 0.000 0.848 1279 V CB 1.625 33.514 31.823 0.109 0.000 0.990 1279 V HN 0.686 nan 8.190 nan 0.000 0.430 1280 I N 3.506 124.123 120.570 0.078 0.000 2.498 1280 I HA 0.574 4.744 4.170 -0.000 0.000 0.290 1280 I C -0.196 175.982 176.117 0.101 0.000 1.032 1280 I CA -0.167 61.175 61.300 0.069 0.000 1.073 1280 I CB 2.340 40.347 38.000 0.012 0.000 1.251 1280 I HN 0.627 nan 8.210 nan 0.000 0.426 1281 S N 3.200 118.984 115.700 0.140 0.000 2.600 1281 S HA 0.467 4.937 4.470 -0.000 0.000 0.300 1281 S C -0.153 174.495 174.600 0.080 0.000 1.087 1281 S CA -0.658 57.605 58.200 0.106 0.000 0.965 1281 S CB 1.235 64.513 63.200 0.131 0.000 1.089 1281 S HN 0.732 nan 8.310 nan 0.000 0.496 1282 N N 1.943 120.671 118.700 0.046 0.000 2.235 1282 N HA 0.157 4.897 4.740 -0.000 0.000 0.231 1282 N C -0.730 174.791 175.510 0.017 0.000 1.177 1282 N CA -0.390 52.677 53.050 0.027 0.000 0.874 1282 N CB -0.193 38.297 38.487 0.004 0.000 1.097 1282 N HN 0.371 nan 8.380 nan 0.000 0.518 1283 N N 0.907 119.626 118.700 0.032 0.000 2.546 1283 N HA 0.087 4.827 4.740 -0.000 0.000 0.238 1283 N C 0.818 176.342 175.510 0.024 0.000 0.984 1283 N CA -0.127 52.932 53.050 0.014 0.000 0.935 1283 N CB 1.106 39.597 38.487 0.006 0.000 1.122 1283 N HN 0.219 nan 8.380 nan 0.000 0.510 1284 T N 0.440 115.004 114.554 0.017 0.000 2.977 1284 T HA -0.073 4.277 4.350 -0.000 0.000 0.271 1284 T C 0.615 175.314 174.700 -0.002 0.000 1.105 1284 T CA 1.129 63.246 62.100 0.028 0.000 1.116 1284 T CB -0.275 68.608 68.868 0.024 0.000 0.878 1284 T HN 0.499 nan 8.240 nan 0.000 0.509 1285 N N 0.522 119.212 118.700 -0.016 0.000 2.238 1285 N HA 0.325 5.065 4.740 -0.000 0.000 0.222 1285 N C -0.377 175.106 175.510 -0.044 0.000 1.133 1285 N CA -0.436 52.594 53.050 -0.034 0.000 0.854 1285 N CB 0.196 38.667 38.487 -0.027 0.000 1.041 1285 N HN 0.246 nan 8.380 nan 0.000 0.510 1286 L N 1.821 123.020 121.223 -0.040 0.000 2.640 1286 L HA -0.024 4.316 4.340 -0.000 0.000 0.280 1286 L C -0.480 176.342 176.870 -0.080 0.000 1.229 1286 L CA 0.850 55.660 54.840 -0.049 0.000 0.919 1286 L CB 0.016 42.052 42.059 -0.038 0.000 1.168 1286 L HN 0.053 nan 8.230 nan 0.000 0.496 1287 K N 6.488 126.848 120.400 -0.066 0.000 2.637 1287 K HA 0.401 4.721 4.320 -0.000 0.000 0.248 1287 K C -1.200 175.367 176.600 -0.056 0.000 0.971 1287 K CA -0.645 55.600 56.287 -0.071 0.000 0.858 1287 K CB 1.391 33.855 32.500 -0.060 0.000 1.170 1287 K HN 0.525 nan 8.250 nan 0.000 0.443 1288 L N 2.950 124.137 121.223 -0.061 0.000 2.367 1288 L HA 0.162 4.502 4.340 -0.000 0.000 0.275 1288 L C 0.443 177.294 176.870 -0.033 0.000 1.129 1288 L CA -0.519 54.295 54.840 -0.043 0.000 0.839 1288 L CB 0.231 42.264 42.059 -0.043 0.000 1.133 1288 L HN 0.546 nan 8.230 nan 0.000 0.453 1289 N N 1.823 120.509 118.700 -0.023 0.000 2.415 1289 N HA 0.004 4.744 4.740 -0.000 0.000 0.248 1289 N C -0.488 175.013 175.510 -0.016 0.000 1.271 1289 N CA -0.323 52.716 53.050 -0.019 0.000 0.913 1289 N CB 0.344 38.823 38.487 -0.014 0.000 1.129 1289 N HN 0.416 nan 8.380 nan 0.000 0.444 1290 D N 0.094 120.485 120.400 -0.015 0.000 2.533 1290 D HA 0.164 4.804 4.640 -0.000 0.000 0.236 1290 D C 1.440 177.733 176.300 -0.011 0.000 1.137 1290 D CA 1.290 55.283 54.000 -0.013 0.000 0.867 1290 D CB 0.187 40.979 40.800 -0.013 0.000 1.170 1290 D HN 0.700 nan 8.370 nan 0.000 0.474 1291 G N 2.445 111.238 108.800 -0.011 0.000 2.284 1291 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.247 1291 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.247 1291 G C 0.410 175.307 174.900 -0.004 0.000 1.012 1291 G CA 0.098 45.192 45.100 -0.010 0.000 0.618 1291 G HN 0.554 nan 8.290 nan 0.000 0.521 1292 E N 0.937 121.135 120.200 -0.002 0.000 2.392 1292 E HA 0.525 4.875 4.350 -0.000 0.000 0.256 1292 E C 0.503 177.111 176.600 0.013 0.000 1.145 1292 E CA 0.650 57.053 56.400 0.004 0.000 0.929 1292 E CB 1.159 30.858 29.700 -0.002 0.000 0.998 1292 E HN 0.739 nan 8.360 nan 0.000 0.442 1293 S N -0.641 115.073 115.700 0.024 0.000 2.625 1293 S HA 0.514 4.984 4.470 -0.000 0.000 0.271 1293 S C -1.115 173.509 174.600 0.041 0.000 1.161 1293 S CA -0.973 57.252 58.200 0.043 0.000 0.820 1293 S CB 1.411 64.650 63.200 0.065 0.000 1.137 1293 S HN 0.188 nan 8.310 nan 0.000 0.470 1294 V N 1.334 121.288 119.914 0.067 0.000 2.540 1294 V HA 0.669 4.789 4.120 -0.000 0.000 0.302 1294 V C -0.921 175.188 176.094 0.025 0.000 1.035 1294 V CA -0.543 61.791 62.300 0.056 0.000 0.873 1294 V CB 1.643 33.520 31.823 0.090 0.000 0.992 1294 V HN 0.838 nan 8.190 nan 0.000 0.428 1295 V N 6.287 126.131 119.914 -0.117 0.000 2.448 1295 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 1295 V C -0.287 175.560 176.094 -0.412 0.000 1.025 1295 V CA -0.575 61.504 62.300 -0.369 0.000 0.859 1295 V CB 1.798 33.314 31.823 -0.512 0.000 0.988 1295 V HN 0.627 nan 8.190 nan 0.000 0.431 1296 L N 4.770 125.779 121.223 -0.357 0.000 2.264 1296 L HA 0.477 4.817 4.340 -0.000 0.000 0.289 1296 L C -0.055 176.595 176.870 -0.367 0.000 1.044 1296 L CA -0.549 54.120 54.840 -0.285 0.000 0.807 1296 L CB 0.699 42.675 42.059 -0.139 0.000 1.192 1296 L HN 0.630 nan 8.230 nan 0.000 0.425 1297 H N 6.108 125.145 119.070 -0.055 0.000 2.914 1297 H HA 0.140 4.696 4.556 -0.000 0.000 0.264 1297 H C 0.604 175.990 175.328 0.098 0.000 1.433 1297 H CA -0.428 55.624 56.048 0.006 0.000 1.342 1297 H CB 0.996 30.792 29.762 0.056 0.000 1.582 1297 H HN 0.594 nan 8.280 nan 0.000 0.525 1298 M N 0.822 120.495 119.600 0.122 0.000 2.394 1298 M HA 0.062 4.542 4.480 -0.000 0.000 0.264 1298 M C 1.307 177.907 176.300 0.501 0.000 1.073 1298 M CA 0.661 56.065 55.300 0.174 0.000 1.111 1298 M CB -0.547 32.016 32.600 -0.063 0.000 1.401 1298 M HN 0.768 nan 8.290 nan 0.000 0.448 1299 G N -0.772 108.256 108.800 0.380 0.000 2.603 1299 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 1299 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 1299 G C 0.408 175.403 174.900 0.158 0.000 1.286 1299 G CA -0.175 45.089 45.100 0.272 0.000 0.871 1299 G HN 0.393 nan 8.290 nan 0.000 0.568 1300 A N -0.409 122.420 122.820 0.014 0.000 2.121 1300 A HA 0.418 4.738 4.320 -0.000 0.000 0.218 1300 A C 2.634 180.191 177.584 -0.044 0.000 1.154 1300 A CA 2.514 54.545 52.037 -0.010 0.000 0.679 1300 A CB -0.496 18.474 19.000 -0.050 0.000 0.795 1300 A HN 2.411 nan 8.150 nan 0.000 0.458 1301 A N -1.713 121.030 122.820 -0.129 0.000 2.235 1301 A HA 0.069 4.389 4.320 -0.000 0.000 0.208 1301 A C 1.039 178.369 177.584 -0.424 0.000 1.172 1301 A CA 0.569 52.417 52.037 -0.316 0.000 0.786 1301 A CB -0.318 18.403 19.000 -0.464 0.000 0.804 1301 A HN 0.567 nan 8.150 nan 0.000 0.479 1302 H N -0.288 118.869 119.070 0.145 0.000 2.637 1302 H HA 0.205 4.761 4.556 0.000 0.000 0.245 1302 H C -0.668 174.768 175.328 0.180 0.000 1.190 1302 H CA -0.400 55.772 56.048 0.206 0.000 0.934 1302 H CB 0.031 29.985 29.762 0.320 0.000 1.950 1302 H HN 0.387 nan 8.280 nan 0.000 0.614 1303 K N 1.118 121.627 120.400 0.181 0.000 2.270 1303 K HA 0.076 4.396 4.320 -0.000 0.000 0.276 1303 K C 0.330 177.021 176.600 0.151 0.000 1.023 1303 K CA -0.222 56.150 56.287 0.142 0.000 0.955 1303 K CB 0.824 33.375 32.500 0.085 0.000 0.975 1303 K HN 0.299 nan 8.250 nan 0.000 0.471 1304 N N 1.973 120.761 118.700 0.147 0.000 2.688 1304 N HA -0.267 4.473 4.740 -0.000 0.000 0.258 1304 N C -1.015 174.618 175.510 0.204 0.000 1.016 1304 N CA 0.429 53.570 53.050 0.151 0.000 0.747 1304 N CB -0.674 37.872 38.487 0.098 0.000 0.895 1304 N HN 0.531 nan 8.380 nan 0.000 0.543 1305 Q N 0.649 120.608 119.800 0.265 0.000 2.375 1305 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 1305 Q C -0.983 175.157 176.000 0.233 0.000 1.074 1305 Q CA -0.944 55.013 55.803 0.257 0.000 0.808 1305 Q CB 1.383 30.306 28.738 0.307 0.000 1.327 1305 Q HN 0.210 nan 8.270 nan 0.000 0.441 1306 K N 2.660 123.083 120.400 0.037 0.000 2.258 1306 K HA 0.235 4.555 4.320 -0.000 0.000 0.284 1306 K C -1.495 174.973 176.600 -0.221 0.000 1.051 1306 K CA -0.122 55.996 56.287 -0.281 0.000 0.923 1306 K CB 0.498 32.791 32.500 -0.343 0.000 1.046 1306 K HN 0.461 nan 8.250 nan 0.000 0.474 1307 Y N 2.321 122.489 120.300 -0.220 0.000 2.496 1307 Y HA 0.417 4.967 4.550 0.000 0.000 0.331 1307 Y C -0.011 175.928 175.900 0.064 0.000 1.140 1307 Y CA -0.539 57.536 58.100 -0.041 0.000 1.166 1307 Y CB 1.550 40.002 38.460 -0.012 0.000 1.249 1307 Y HN 0.583 nan 8.280 nan 0.000 0.479 1308 R N 0.609 121.272 120.500 0.273 0.000 2.808 1308 R HA 0.894 5.234 4.340 -0.000 0.000 0.272 1308 R C -1.523 174.837 176.300 0.100 0.000 0.995 1308 R CA -1.059 55.171 56.100 0.216 0.000 0.917 1308 R CB 0.848 31.142 30.300 -0.010 0.000 1.217 1308 R HN 0.626 nan 8.270 nan 0.000 0.471 1309 A N 1.351 123.970 122.820 -0.335 0.000 2.407 1309 A HA 0.431 4.751 4.320 -0.000 0.000 0.248 1309 A C 0.424 177.775 177.584 -0.388 0.000 1.082 1309 A CA -0.576 50.968 52.037 -0.822 0.000 0.785 1309 A CB 0.512 18.849 19.000 -1.105 0.000 1.020 1309 A HN 0.587 nan 8.150 nan 0.000 0.489 1310 V N 2.085 121.790 119.914 -0.348 0.000 2.788 1310 V HA 0.225 4.345 4.120 -0.000 0.000 0.241 1310 V C 0.480 176.518 176.094 -0.094 0.000 1.083 1310 V CA 1.008 63.219 62.300 -0.148 0.000 1.103 1310 V CB -0.273 31.436 31.823 -0.190 0.000 0.800 1310 V HN 0.691 nan 8.190 nan 0.000 0.476 1311 I N 0.326 120.755 120.570 -0.234 0.000 2.644 1311 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 1311 I C -1.487 174.442 176.117 -0.314 0.000 1.180 1311 I CA -0.251 60.909 61.300 -0.234 0.000 1.040 1311 I CB 2.582 40.432 38.000 -0.251 0.000 1.255 1311 I HN 0.019 nan 8.210 nan 0.000 0.422 1312 L N 4.186 125.262 121.223 -0.245 0.000 2.354 1312 L HA 0.583 4.923 4.340 -0.000 0.000 0.264 1312 L C -0.370 176.282 176.870 -0.365 0.000 1.008 1312 L CA -0.698 53.978 54.840 -0.274 0.000 0.819 1312 L CB 2.553 44.558 42.059 -0.089 0.000 1.339 1312 L HN 0.472 nan 8.230 nan 0.000 0.420 1313 T N 0.564 114.844 114.554 -0.457 0.000 2.889 1313 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 1313 T C 0.185 174.410 174.700 -0.792 0.000 0.995 1313 T CA -0.452 61.295 62.100 -0.588 0.000 1.092 1313 T CB 1.335 69.833 68.868 -0.617 0.000 0.954 1313 T HN 0.775 nan 8.240 nan 0.000 0.506 1314 T N -0.073 113.953 114.554 -0.879 0.000 2.883 1314 T HA 0.478 4.828 4.350 -0.000 0.000 0.284 1314 T C 0.948 175.261 174.700 -0.645 0.000 1.041 1314 T CA -0.848 60.671 62.100 -0.968 0.000 1.007 1314 T CB 1.230 69.526 68.868 -0.952 0.000 1.220 1314 T HN 0.309 nan 8.240 nan 0.000 0.552 1315 E N 0.331 120.453 120.200 -0.131 0.000 2.110 1315 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 1315 E C 1.150 177.765 176.600 0.025 0.000 0.988 1315 E CA 1.427 57.920 56.400 0.155 0.000 0.804 1315 E CB -0.076 29.762 29.700 0.230 0.000 0.745 1315 E HN 0.600 nan 8.360 nan 0.000 0.458 1316 D N -1.501 118.855 120.400 -0.073 0.000 2.407 1316 D HA 0.244 4.884 4.640 -0.000 0.000 0.208 1316 D C 0.774 177.004 176.300 -0.116 0.000 1.083 1316 D CA 0.784 54.744 54.000 -0.066 0.000 0.844 1316 D CB 1.198 41.966 40.800 -0.054 0.000 0.967 1316 D HN 0.203 nan 8.370 nan 0.000 0.506 1317 G N -0.234 108.451 108.800 -0.191 0.000 2.637 1317 G HA2 0.405 4.365 3.960 -0.000 0.000 0.112 1317 G HA3 0.405 4.365 3.960 -0.000 0.000 0.112 1317 G C -1.361 173.372 174.900 -0.278 0.000 1.181 1317 G CA 0.115 45.098 45.100 -0.195 0.000 1.150 1317 G HN 0.147 nan 8.290 nan 0.000 0.561 1318 V N -2.365 117.385 119.914 -0.273 0.000 3.102 1318 V HA 0.884 5.004 4.120 -0.000 0.000 0.312 1318 V C -1.085 174.807 176.094 -0.338 0.000 1.135 1318 V CA -1.229 60.877 62.300 -0.324 0.000 1.022 1318 V CB 1.934 33.597 31.823 -0.267 0.000 1.056 1318 V HN 0.679 nan 8.190 nan 0.000 0.436 1319 K N 2.156 122.331 120.400 -0.374 0.000 2.292 1319 K HA 0.523 4.843 4.320 -0.000 0.000 0.257 1319 K C -1.117 175.151 176.600 -0.552 0.000 0.940 1319 K CA -0.647 55.366 56.287 -0.457 0.000 0.811 1319 K CB 1.704 33.942 32.500 -0.436 0.000 1.120 1319 K HN 0.737 nan 8.250 nan 0.000 0.428 1320 N N 2.079 120.415 118.700 -0.606 0.000 2.405 1320 N HA 0.330 5.070 4.740 -0.000 0.000 0.299 1320 N C -1.265 173.785 175.510 -0.766 0.000 1.075 1320 N CA -0.316 52.426 53.050 -0.513 0.000 0.884 1320 N CB 1.208 39.510 38.487 -0.308 0.000 1.194 1320 N HN 0.371 nan 8.380 nan 0.000 0.491 1321 Y N -0.484 119.733 120.300 -0.138 0.000 2.331 1321 Y HA 0.190 4.740 4.550 -0.000 0.000 0.334 1321 Y C 1.486 177.340 175.900 -0.076 0.000 0.960 1321 Y CA -0.778 57.262 58.100 -0.099 0.000 1.130 1321 Y CB 1.673 40.068 38.460 -0.109 0.000 1.164 1321 Y HN 0.501 nan 8.280 nan 0.000 0.458 1322 T N -1.980 112.614 114.554 0.067 0.000 3.065 1322 T HA 0.176 4.526 4.350 -0.000 0.000 0.252 1322 T C 0.218 174.969 174.700 0.084 0.000 1.099 1322 T CA 0.550 62.678 62.100 0.046 0.000 1.063 1322 T CB -0.343 68.537 68.868 0.021 0.000 0.948 1322 T HN 0.695 nan 8.240 nan 0.000 0.506 1323 N N -0.471 118.290 118.700 0.101 0.000 3.364 1323 N HA 0.285 5.025 4.740 -0.000 0.000 0.294 1323 N C -0.684 174.879 175.510 0.087 0.000 1.562 1323 N CA -0.632 52.480 53.050 0.103 0.000 0.862 1323 N CB 0.108 38.645 38.487 0.083 0.000 1.691 1323 N HN -0.266 nan 8.380 nan 0.000 0.572 1324 D N -0.507 119.936 120.400 0.070 0.000 2.264 1324 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 1324 D C -0.115 176.202 176.300 0.027 0.000 0.966 1324 D CA 1.189 55.210 54.000 0.035 0.000 0.864 1324 D CB -0.571 40.250 40.800 0.035 0.000 0.933 1324 D HN 0.575 nan 8.370 nan 0.000 0.499 1325 T N 1.946 116.532 114.554 0.052 0.000 2.829 1325 T HA -0.003 4.347 4.350 -0.000 0.000 0.293 1325 T C 0.317 175.059 174.700 0.070 0.000 0.970 1325 T CA 0.069 62.201 62.100 0.053 0.000 1.168 1325 T CB 0.635 69.537 68.868 0.057 0.000 0.911 1325 T HN 0.091 nan 8.240 nan 0.000 0.535 1326 D N -0.288 120.140 120.400 0.047 0.000 3.046 1326 D HA -0.166 4.474 4.640 -0.000 0.000 0.210 1326 D C 0.413 176.694 176.300 -0.032 0.000 1.124 1326 D CA 1.287 55.320 54.000 0.056 0.000 0.986 1326 D CB -1.312 39.561 40.800 0.122 0.000 1.118 1326 D HN 0.797 nan 8.370 nan 0.000 0.416 1327 A N 0.818 123.543 122.820 -0.159 0.000 2.366 1327 A HA 0.522 4.842 4.320 -0.000 0.000 0.272 1327 A C -2.050 175.318 177.584 -0.360 0.000 1.135 1327 A CA -0.881 50.800 52.037 -0.593 0.000 0.804 1327 A CB 0.481 19.179 19.000 -0.504 0.000 1.064 1327 A HN -0.145 nan 8.150 nan 0.000 0.499 1328 P HA 0.202 nan 4.420 nan 0.000 0.267 1328 P C -0.301 177.072 177.300 0.122 0.000 1.201 1328 P CA 0.149 63.215 63.100 -0.056 0.000 0.775 1328 P CB 0.493 32.208 31.700 0.025 0.000 0.854 1329 V N -1.177 118.852 119.914 0.192 0.000 2.864 1329 V HA 0.966 5.086 4.120 -0.000 0.000 0.314 1329 V C -0.763 175.388 176.094 0.094 0.000 1.073 1329 V CA -1.231 61.158 62.300 0.148 0.000 0.956 1329 V CB 1.758 33.551 31.823 -0.050 0.000 1.023 1329 V HN 0.676 nan 8.190 nan 0.000 0.435 1330 A N 2.465 125.224 122.820 -0.102 0.000 2.515 1330 A HA 0.887 5.207 4.320 -0.000 0.000 0.298 1330 A C -1.781 175.637 177.584 -0.276 0.000 1.059 1330 A CA -0.647 51.254 52.037 -0.227 0.000 0.698 1330 A CB 1.644 20.279 19.000 -0.607 0.000 1.289 1330 A HN 0.972 nan 8.150 nan 0.000 0.404 1331 Y N 0.705 120.943 120.300 -0.103 0.000 2.393 1331 Y HA 0.517 5.067 4.550 -0.000 0.000 0.341 1331 Y C 1.223 177.082 175.900 -0.069 0.000 0.988 1331 Y CA -0.185 57.904 58.100 -0.018 0.000 1.078 1331 Y CB 2.217 40.675 38.460 -0.004 0.000 1.203 1331 Y HN 0.783 nan 8.280 nan 0.000 0.453 1332 T N -1.216 113.422 114.554 0.141 0.000 2.899 1332 T HA 0.265 4.615 4.350 -0.000 0.000 0.295 1332 T C -0.078 174.690 174.700 0.114 0.000 1.033 1332 T CA -0.965 61.169 62.100 0.056 0.000 1.084 1332 T CB 0.900 69.818 68.868 0.083 0.000 0.979 1332 T HN 0.618 nan 8.240 nan 0.000 0.532 1333 D N 1.123 121.582 120.400 0.098 0.000 2.469 1333 D HA 0.402 5.042 4.640 -0.000 0.000 0.278 1333 D C 1.562 177.913 176.300 0.085 0.000 1.231 1333 D CA -0.357 53.695 54.000 0.087 0.000 1.075 1333 D CB -0.236 40.618 40.800 0.091 0.000 1.121 1333 D HN 0.595 nan 8.370 nan 0.000 0.571 1334 A N -0.943 121.914 122.820 0.062 0.000 2.121 1334 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 1334 A C 1.767 179.388 177.584 0.063 0.000 1.154 1334 A CA 1.412 53.481 52.037 0.053 0.000 0.679 1334 A CB -1.012 18.008 19.000 0.032 0.000 0.795 1334 A HN 0.560 nan 8.150 nan 0.000 0.458 1335 N N -1.277 117.471 118.700 0.079 0.000 2.280 1335 N HA 0.202 4.942 4.740 -0.000 0.000 0.192 1335 N C 0.979 176.549 175.510 0.101 0.000 1.109 1335 N CA 1.088 54.187 53.050 0.083 0.000 0.855 1335 N CB 0.208 38.753 38.487 0.096 0.000 0.974 1335 N HN 0.483 nan 8.380 nan 0.000 0.482 1336 G N -0.067 108.799 108.800 0.110 0.000 2.159 1336 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.256 1336 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.256 1336 G C -0.782 174.155 174.900 0.062 0.000 0.977 1336 G CA 0.164 45.344 45.100 0.132 0.000 0.652 1336 G HN 0.395 nan 8.290 nan 0.000 0.531 1337 D N 0.366 120.780 120.400 0.023 0.000 2.225 1337 D HA 0.528 5.168 4.640 -0.000 0.000 0.248 1337 D C 0.724 176.835 176.300 -0.315 0.000 1.096 1337 D CA -0.103 53.796 54.000 -0.167 0.000 0.863 1337 D CB 1.362 42.039 40.800 -0.204 0.000 1.156 1337 D HN 0.240 nan 8.370 nan 0.000 0.450 1338 L N 3.161 124.088 121.223 -0.493 0.000 2.289 1338 L HA 0.267 4.607 4.340 -0.000 0.000 0.285 1338 L C 0.288 176.659 176.870 -0.832 0.000 1.049 1338 L CA -0.569 53.899 54.840 -0.620 0.000 0.804 1338 L CB 0.859 42.515 42.059 -0.671 0.000 1.195 1338 L HN 0.260 nan 8.230 nan 0.000 0.428 1339 H N 4.105 122.752 119.070 -0.706 0.000 2.466 1339 H HA 0.458 5.014 4.556 -0.000 0.000 0.338 1339 H C -1.114 173.713 175.328 -0.836 0.000 1.091 1339 H CA -0.407 55.308 56.048 -0.555 0.000 1.207 1339 H CB 1.659 31.236 29.762 -0.309 0.000 1.466 1339 H HN 0.314 nan 8.280 nan 0.000 0.493 1340 F N 0.584 120.506 119.950 -0.046 0.000 2.577 1340 F HA 0.438 4.965 4.527 -0.000 0.000 0.318 1340 F C 0.759 176.543 175.800 -0.026 0.000 1.065 1340 F CA -0.635 57.340 58.000 -0.041 0.000 0.929 1340 F CB 2.355 41.329 39.000 -0.044 0.000 1.237 1340 F HN 0.525 nan 8.300 nan 0.000 0.468 1341 T N -2.703 111.947 114.554 0.160 0.000 2.618 1341 T HA 0.238 4.588 4.350 -0.000 0.000 0.293 1341 T C 0.163 174.886 174.700 0.039 0.000 1.093 1341 T CA -0.635 61.505 62.100 0.067 0.000 1.061 1341 T CB 0.909 69.796 68.868 0.032 0.000 1.498 1341 T HN 0.500 nan 8.240 nan 0.000 0.494 1342 N N -0.322 118.382 118.700 0.006 0.000 2.521 1342 N HA 0.143 4.883 4.740 -0.000 0.000 0.188 1342 N C -0.005 175.510 175.510 0.008 0.000 1.146 1342 N CA 0.072 53.115 53.050 -0.012 0.000 0.893 1342 N CB -0.285 38.186 38.487 -0.027 0.000 0.975 1342 N HN 0.582 nan 8.380 nan 0.000 0.451 1343 T N 0.919 115.488 114.554 0.026 0.000 2.855 1343 T HA 0.283 4.633 4.350 -0.000 0.000 0.281 1343 T C -0.228 174.508 174.700 0.060 0.000 1.007 1343 T CA -0.804 61.313 62.100 0.029 0.000 1.009 1343 T CB 1.012 69.889 68.868 0.015 0.000 0.983 1343 T HN 0.058 nan 8.240 nan 0.000 0.455 1344 N N 1.813 120.549 118.700 0.060 0.000 2.374 1344 N HA 0.107 4.847 4.740 -0.000 0.000 0.241 1344 N C -0.334 175.227 175.510 0.086 0.000 1.262 1344 N CA -0.017 53.087 53.050 0.090 0.000 0.880 1344 N CB 0.289 38.814 38.487 0.062 0.000 1.105 1344 N HN 0.480 nan 8.380 nan 0.000 0.438 1345 L N 1.412 122.709 121.223 0.123 0.000 2.281 1345 L HA 0.081 4.421 4.340 -0.000 0.000 0.285 1345 L C 0.678 177.601 176.870 0.088 0.000 1.074 1345 L CA -0.281 54.614 54.840 0.092 0.000 0.817 1345 L CB 0.218 42.344 42.059 0.111 0.000 1.168 1345 L HN 0.518 nan 8.230 nan 0.000 0.434 1346 D N 3.578 124.013 120.400 0.059 0.000 2.686 1346 D HA -0.202 4.438 4.640 -0.000 0.000 0.235 1346 D C 1.181 177.515 176.300 0.057 0.000 1.160 1346 D CA 1.340 55.373 54.000 0.055 0.000 0.645 1346 D CB -0.594 40.253 40.800 0.078 0.000 1.039 1346 D HN 1.042 nan 8.370 nan 0.000 0.423 1347 G N -0.078 108.750 108.800 0.046 0.000 2.155 1347 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 1347 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 1347 G C 0.191 175.117 174.900 0.043 0.000 0.983 1347 G CA 0.613 45.735 45.100 0.037 0.000 0.676 1347 G HN 0.560 nan 8.290 nan 0.000 0.528 1348 Q N 0.217 120.059 119.800 0.070 0.000 2.322 1348 Q HA 0.435 4.775 4.340 -0.000 0.000 0.256 1348 Q C 0.497 176.538 176.000 0.067 0.000 0.960 1348 Q CA -0.327 55.527 55.803 0.085 0.000 0.934 1348 Q CB 1.043 29.864 28.738 0.137 0.000 1.200 1348 Q HN 0.581 nan 8.270 nan 0.000 0.435 1349 Q N 1.425 121.222 119.800 -0.005 0.000 2.386 1349 Q HA -0.121 4.219 4.340 -0.000 0.000 0.282 1349 Q C -0.827 175.144 176.000 -0.048 0.000 1.050 1349 Q CA 0.352 56.046 55.803 -0.182 0.000 0.918 1349 Q CB 0.336 28.830 28.738 -0.407 0.000 1.266 1349 Q HN 0.691 nan 8.270 nan 0.000 0.423 1350 Y N -0.377 120.026 120.300 0.173 0.000 4.668 1350 Y HA -0.289 4.261 4.550 -0.000 0.000 0.234 1350 Y C 1.051 177.107 175.900 0.260 0.000 1.056 1350 Y CA 1.179 59.402 58.100 0.204 0.000 2.025 1350 Y CB -2.678 35.853 38.460 0.118 0.000 1.613 1350 Y HN 0.802 nan 8.280 nan 0.000 0.653 1351 T N -3.437 111.332 114.554 0.358 0.000 3.069 1351 T HA 0.695 5.045 4.350 -0.000 0.000 0.252 1351 T C 0.884 175.813 174.700 0.383 0.000 1.053 1351 T CA 0.259 62.626 62.100 0.445 0.000 0.964 1351 T CB 0.174 69.310 68.868 0.448 0.000 1.005 1351 T HN 0.609 nan 8.240 nan 0.000 0.532 1352 A N 1.253 124.235 122.820 0.269 0.000 2.322 1352 A HA 0.666 4.986 4.320 -0.000 0.000 0.269 1352 A C -0.009 177.607 177.584 0.053 0.000 1.094 1352 A CA -0.552 51.583 52.037 0.163 0.000 0.807 1352 A CB 0.644 19.702 19.000 0.097 0.000 1.047 1352 A HN 0.312 nan 8.150 nan 0.000 0.487 1353 V N 2.526 122.364 119.914 -0.127 0.000 2.383 1353 V HA 0.643 4.763 4.120 -0.000 0.000 0.275 1353 V C 0.231 176.088 176.094 -0.395 0.000 1.036 1353 V CA -0.039 61.936 62.300 -0.543 0.000 0.889 1353 V CB 0.443 31.996 31.823 -0.450 0.000 0.985 1353 V HN 1.157 nan 8.190 nan 0.000 0.459 1354 R N 3.370 123.585 120.500 -0.476 0.000 2.741 1354 R HA 0.707 5.047 4.340 -0.000 0.000 0.276 1354 R C -0.272 175.879 176.300 -0.248 0.000 1.028 1354 R CA -0.556 55.365 56.100 -0.299 0.000 0.865 1354 R CB 0.853 30.983 30.300 -0.283 0.000 1.268 1354 R HN 0.707 nan 8.270 nan 0.000 0.475 1355 G N 0.103 108.775 108.800 -0.213 0.000 2.444 1355 G HA2 0.533 4.493 3.960 -0.000 0.000 0.268 1355 G HA3 0.533 4.493 3.960 -0.000 0.000 0.268 1355 G C -1.378 173.377 174.900 -0.241 0.000 1.203 1355 G CA -0.335 44.715 45.100 -0.083 0.000 0.835 1355 G HN 0.366 nan 8.290 nan 0.000 0.543 1356 Y N -0.534 119.835 120.300 0.116 0.000 2.605 1356 Y HA 0.638 5.188 4.550 0.000 0.000 0.343 1356 Y C 0.224 176.161 175.900 0.061 0.000 1.036 1356 Y CA -0.768 57.386 58.100 0.091 0.000 1.065 1356 Y CB 2.780 41.301 38.460 0.101 0.000 1.288 1356 Y HN 0.769 nan 8.280 nan 0.000 0.481 1357 A N 2.630 125.586 122.820 0.227 0.000 2.569 1357 A HA 0.671 4.991 4.320 -0.000 0.000 0.282 1357 A C -1.362 176.291 177.584 0.115 0.000 1.165 1357 A CA -0.576 51.547 52.037 0.143 0.000 0.747 1357 A CB 0.124 19.181 19.000 0.095 0.000 1.215 1357 A HN 0.839 nan 8.150 nan 0.000 0.431 1358 N N 1.363 120.118 118.700 0.091 0.000 2.972 1358 N HA 0.650 5.390 4.740 -0.000 0.000 0.262 1358 N C -2.911 172.616 175.510 0.027 0.000 1.478 1358 N CA -1.748 51.327 53.050 0.041 0.000 0.841 1358 N CB 0.762 39.252 38.487 0.006 0.000 1.512 1358 N HN -0.042 nan 8.380 nan 0.000 0.548 1359 P HA 0.013 nan 4.420 nan 0.000 0.225 1359 P C -0.170 177.143 177.300 0.021 0.000 1.148 1359 P CA 1.034 64.115 63.100 -0.031 0.000 0.779 1359 P CB 0.201 31.849 31.700 -0.087 0.000 0.780 1360 D N -1.348 119.065 120.400 0.022 0.000 2.320 1360 D HA 0.045 4.685 4.640 -0.000 0.000 0.228 1360 D C 0.441 176.770 176.300 0.048 0.000 0.978 1360 D CA 0.963 55.010 54.000 0.078 0.000 0.905 1360 D CB 0.223 41.022 40.800 -0.003 0.000 1.051 1360 D HN -0.052 nan 8.370 nan 0.000 0.471 1361 V N 1.610 121.533 119.914 0.016 0.000 2.448 1361 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 1361 V C -0.291 175.857 176.094 0.091 0.000 1.025 1361 V CA -0.565 61.750 62.300 0.026 0.000 0.859 1361 V CB 1.747 33.544 31.823 -0.044 0.000 0.988 1361 V HN 0.116 nan 8.190 nan 0.000 0.431 1362 T N 1.355 115.977 114.554 0.113 0.000 2.963 1362 T HA 0.800 5.150 4.350 -0.000 0.000 0.343 1362 T C 0.440 175.196 174.700 0.092 0.000 1.146 1362 T CA 0.157 62.327 62.100 0.116 0.000 1.016 1362 T CB 1.067 70.008 68.868 0.122 0.000 1.046 1362 T HN 1.446 nan 8.240 nan 0.000 0.496 1363 G N 1.722 110.600 108.800 0.131 0.000 2.178 1363 G HA2 0.173 4.133 3.960 -0.000 0.000 0.147 1363 G HA3 0.173 4.133 3.960 -0.000 0.000 0.147 1363 G C -1.888 173.176 174.900 0.274 0.000 1.245 1363 G CA -0.624 44.563 45.100 0.146 0.000 1.275 1363 G HN 0.831 nan 8.290 nan 0.000 0.491 1364 Y N -0.377 119.975 120.300 0.088 0.000 2.513 1364 Y HA 0.753 5.303 4.550 -0.000 0.000 0.340 1364 Y C -1.604 174.319 175.900 0.038 0.000 1.055 1364 Y CA -1.013 57.156 58.100 0.115 0.000 1.020 1364 Y CB 2.084 40.610 38.460 0.110 0.000 1.301 1364 Y HN 1.073 nan 8.280 nan 0.000 0.453 1365 L N 4.908 125.648 121.223 -0.804 0.000 2.470 1365 L HA 0.988 5.328 4.340 -0.000 0.000 0.268 1365 L C -1.747 174.630 176.870 -0.823 0.000 0.964 1365 L CA -0.378 54.116 54.840 -0.578 0.000 0.839 1365 L CB 1.700 43.556 42.059 -0.338 0.000 1.276 1365 L HN 0.765 nan 8.230 nan 0.000 0.403 1366 A N 4.220 126.754 122.820 -0.475 0.000 2.486 1366 A HA 0.909 5.229 4.320 -0.000 0.000 0.300 1366 A C -1.793 175.637 177.584 -0.258 0.000 1.048 1366 A CA -0.550 51.271 52.037 -0.360 0.000 0.696 1366 A CB 2.036 20.989 19.000 -0.079 0.000 1.278 1366 A HN 0.574 nan 8.150 nan 0.000 0.405 1367 V N 0.845 120.495 119.914 -0.441 0.000 2.686 1367 V HA 0.633 4.753 4.120 -0.000 0.000 0.306 1367 V C -1.424 174.396 176.094 -0.458 0.000 1.065 1367 V CA -0.344 61.791 62.300 -0.276 0.000 0.894 1367 V CB 1.655 33.351 31.823 -0.212 0.000 1.004 1367 V HN 0.932 nan 8.190 nan 0.000 0.424 1368 W N 3.384 124.643 121.300 -0.068 0.000 2.915 1368 W HA 0.813 5.473 4.660 -0.000 0.000 0.337 1368 W C -0.511 176.013 176.519 0.008 0.000 1.102 1368 W CA -0.831 56.513 57.345 -0.002 0.000 1.224 1368 W CB 2.176 31.680 29.460 0.073 0.000 1.416 1368 W HN 0.562 nan 8.180 nan 0.000 0.503 1369 V N -0.173 119.836 119.914 0.160 0.000 3.102 1369 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 1369 V C -2.875 173.059 176.094 -0.266 0.000 1.135 1369 V CA -3.575 58.639 62.300 -0.144 0.000 1.022 1369 V CB 1.766 33.044 31.823 -0.909 0.000 1.056 1369 V HN 0.250 nan 8.190 nan 0.000 0.436 1370 P HA 0.316 nan 4.420 nan 0.000 0.265 1370 P C -0.178 176.968 177.300 -0.256 0.000 1.193 1370 P CA 0.598 63.265 63.100 -0.722 0.000 0.765 1370 P CB 0.453 31.935 31.700 -0.363 0.000 0.823 1371 A N 3.053 125.737 122.820 -0.228 0.000 2.332 1371 A HA 0.521 4.841 4.320 -0.000 0.000 0.258 1371 A C 1.350 178.924 177.584 -0.016 0.000 1.087 1371 A CA 0.393 52.385 52.037 -0.075 0.000 0.802 1371 A CB -0.901 18.051 19.000 -0.080 0.000 1.042 1371 A HN 0.828 nan 8.150 nan 0.000 0.489 1372 G N -1.073 107.745 108.800 0.029 0.000 2.136 1372 G HA2 0.198 4.158 3.960 -0.000 0.000 0.242 1372 G HA3 0.198 4.158 3.960 -0.000 0.000 0.242 1372 G C 0.481 175.407 174.900 0.043 0.000 0.989 1372 G CA 0.366 45.485 45.100 0.032 0.000 0.682 1372 G HN 2.108 nan 8.290 nan 0.000 0.522 1373 A N 0.023 122.889 122.820 0.077 0.000 2.477 1373 A HA 0.814 5.134 4.320 -0.000 0.000 0.246 1373 A C 1.157 178.739 177.584 -0.004 0.000 1.078 1373 A CA 0.963 53.016 52.037 0.028 0.000 0.770 1373 A CB 0.397 19.385 19.000 -0.021 0.000 1.011 1373 A HN 2.150 nan 8.150 nan 0.000 0.494 1374 A N 1.942 124.746 122.820 -0.027 0.000 2.466 1374 A HA 0.287 4.607 4.320 -0.000 0.000 0.238 1374 A C 0.824 178.383 177.584 -0.040 0.000 1.074 1374 A CA 0.144 52.167 52.037 -0.024 0.000 0.774 1374 A CB 0.034 19.019 19.000 -0.024 0.000 1.015 1374 A HN 0.836 nan 8.150 nan 0.000 0.498 1375 D N 0.426 120.814 120.400 -0.021 0.000 2.178 1375 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 1375 D C 0.907 177.184 176.300 -0.038 0.000 0.980 1375 D CA 1.850 55.837 54.000 -0.021 0.000 0.842 1375 D CB -0.065 40.733 40.800 -0.003 0.000 0.948 1375 D HN 0.764 nan 8.370 nan 0.000 0.472 1376 D N -0.096 120.281 120.400 -0.039 0.000 2.325 1376 D HA -0.067 4.573 4.640 -0.000 0.000 0.225 1376 D C 0.589 176.853 176.300 -0.060 0.000 1.096 1376 D CA -0.220 53.755 54.000 -0.040 0.000 0.844 1376 D CB -0.762 40.023 40.800 -0.025 0.000 0.925 1376 D HN 0.143 nan 8.370 nan 0.000 0.513 1377 Q N 0.618 120.361 119.800 -0.095 0.000 2.315 1377 Q HA 0.077 4.417 4.340 -0.000 0.000 0.289 1377 Q C -0.964 174.962 176.000 -0.123 0.000 1.044 1377 Q CA 0.270 56.001 55.803 -0.119 0.000 0.920 1377 Q CB 0.506 29.128 28.738 -0.194 0.000 1.214 1377 Q HN 0.052 nan 8.270 nan 0.000 0.392 1378 D N 2.733 123.085 120.400 -0.080 0.000 2.575 1378 D HA 0.311 4.951 4.640 -0.000 0.000 0.250 1378 D C -0.959 175.322 176.300 -0.031 0.000 1.279 1378 D CA -0.330 53.638 54.000 -0.053 0.000 0.925 1378 D CB 1.463 42.247 40.800 -0.027 0.000 1.261 1378 D HN 0.580 nan 8.370 nan 0.000 0.567 1379 A N 4.370 127.177 122.820 -0.023 0.000 2.337 1379 A HA 0.193 4.513 4.320 -0.000 0.000 0.227 1379 A C 1.046 178.648 177.584 0.030 0.000 1.259 1379 A CA -0.109 51.934 52.037 0.012 0.000 0.870 1379 A CB 0.012 19.032 19.000 0.033 0.000 0.927 1379 A HN 0.447 nan 8.150 nan 0.000 0.497 1380 R N -0.561 119.953 120.500 0.024 0.000 2.649 1380 R HA 0.458 4.798 4.340 -0.000 0.000 0.270 1380 R C -0.614 175.706 176.300 0.032 0.000 1.105 1380 R CA 0.193 56.312 56.100 0.032 0.000 1.193 1380 R CB 0.363 30.681 30.300 0.030 0.000 1.120 1380 R HN 0.150 nan 8.270 nan 0.000 0.561 1381 T N 0.607 115.183 114.554 0.037 0.000 2.848 1381 T HA 0.421 4.771 4.350 -0.000 0.000 0.285 1381 T C -0.573 174.148 174.700 0.035 0.000 0.995 1381 T CA -0.655 61.467 62.100 0.037 0.000 0.970 1381 T CB 1.785 70.679 68.868 0.043 0.000 0.976 1381 T HN 0.668 nan 8.240 nan 0.000 0.441 1382 A N 4.894 127.732 122.820 0.030 0.000 2.371 1382 A HA 0.650 4.970 4.320 -0.000 0.000 0.257 1382 A C -2.116 175.489 177.584 0.035 0.000 1.089 1382 A CA -1.261 50.793 52.037 0.028 0.000 0.794 1382 A CB -0.289 18.723 19.000 0.020 0.000 1.029 1382 A HN 0.558 nan 8.150 nan 0.000 0.488 1383 P HA 0.153 nan 4.420 nan 0.000 0.275 1383 P C -0.052 177.271 177.300 0.038 0.000 1.227 1383 P CA -0.076 63.053 63.100 0.050 0.000 0.781 1383 P CB 1.067 32.801 31.700 0.057 0.000 0.906 1384 S N 1.261 116.988 115.700 0.045 0.000 2.592 1384 S HA 0.071 4.541 4.470 -0.000 0.000 0.271 1384 S C 0.800 175.409 174.600 0.015 0.000 1.326 1384 S CA -0.411 57.809 58.200 0.033 0.000 1.024 1384 S CB -0.063 63.165 63.200 0.045 0.000 0.921 1384 S HN 0.303 nan 8.310 nan 0.000 0.527 1385 D N 1.839 122.241 120.400 0.003 0.000 2.340 1385 D HA 0.080 4.720 4.640 -0.000 0.000 0.220 1385 D C 0.088 176.376 176.300 -0.021 0.000 1.039 1385 D CA 0.255 54.245 54.000 -0.016 0.000 0.866 1385 D CB 0.005 40.799 40.800 -0.010 0.000 0.913 1385 D HN 0.585 nan 8.370 nan 0.000 0.523 1386 E N 0.862 121.063 120.200 0.001 0.000 2.415 1386 E HA 0.246 4.596 4.350 -0.000 0.000 0.263 1386 E C -0.204 176.397 176.600 0.003 0.000 0.995 1386 E CA -0.217 56.191 56.400 0.013 0.000 0.915 1386 E CB 0.671 30.394 29.700 0.039 0.000 0.951 1386 E HN 0.084 nan 8.360 nan 0.000 0.449 1387 A N 4.776 127.596 122.820 0.001 0.000 2.546 1387 A HA -0.002 4.318 4.320 -0.000 0.000 0.243 1387 A C -0.463 177.167 177.584 0.075 0.000 1.063 1387 A CA 0.207 52.240 52.037 -0.007 0.000 0.757 1387 A CB -0.176 18.829 19.000 0.007 0.000 0.991 1387 A HN 0.784 nan 8.150 nan 0.000 0.503 1388 H N 1.033 120.104 119.070 0.002 0.000 2.948 1388 H HA 0.127 4.683 4.556 0.000 0.000 0.351 1388 H C 1.392 176.720 175.328 -0.001 0.000 1.079 1388 H CA 0.726 56.774 56.048 0.000 0.000 1.407 1388 H CB 0.672 30.430 29.762 -0.007 0.000 1.373 1388 H HN 0.807 nan 8.280 nan 0.000 0.605 1389 T N -1.465 113.158 114.554 0.116 0.000 3.044 1389 T HA 0.087 4.437 4.350 -0.000 0.000 0.260 1389 T C 0.494 175.207 174.700 0.022 0.000 1.019 1389 T CA -0.046 62.086 62.100 0.053 0.000 0.921 1389 T CB 0.091 68.978 68.868 0.032 0.000 1.053 1389 T HN 0.653 nan 8.240 nan 0.000 0.533 1390 T N -1.123 113.433 114.554 0.003 0.000 2.916 1390 T HA 0.510 4.860 4.350 -0.000 0.000 0.292 1390 T C -0.631 174.062 174.700 -0.013 0.000 1.055 1390 T CA -1.027 61.057 62.100 -0.027 0.000 1.009 1390 T CB 2.132 70.957 68.868 -0.072 0.000 1.118 1390 T HN -0.020 nan 8.240 nan 0.000 0.497 1391 K N 1.894 122.284 120.400 -0.016 0.000 2.110 1391 K HA 0.266 4.586 4.320 -0.000 0.000 0.260 1391 K C -0.788 175.792 176.600 -0.034 0.000 1.126 1391 K CA 0.131 56.413 56.287 -0.009 0.000 1.005 1391 K CB -0.612 31.879 32.500 -0.015 0.000 1.336 1391 K HN 0.822 nan 8.250 nan 0.000 0.369 1392 T N 1.118 115.655 114.554 -0.029 0.000 2.932 1392 T HA 0.543 4.893 4.350 -0.000 0.000 0.318 1392 T C 0.197 174.893 174.700 -0.007 0.000 1.265 1392 T CA -0.106 61.952 62.100 -0.070 0.000 1.036 1392 T CB 1.604 70.388 68.868 -0.140 0.000 1.209 1392 T HN 0.409 nan 8.240 nan 0.000 0.484 1393 A N 2.796 125.545 122.820 -0.117 0.000 1.903 1393 A HA 0.412 4.732 4.320 -0.000 0.000 0.217 1393 A C -0.175 177.295 177.584 -0.190 0.000 1.387 1393 A CA 0.744 52.637 52.037 -0.241 0.000 0.604 1393 A CB -0.795 17.834 19.000 -0.619 0.000 1.043 1393 A HN 0.767 nan 8.150 nan 0.000 0.481 1394 Y N 0.028 120.373 120.300 0.075 0.000 2.301 1394 Y HA 0.572 5.122 4.550 0.000 0.000 0.328 1394 Y C 0.713 176.616 175.900 0.005 0.000 1.242 1394 Y CA -0.213 57.924 58.100 0.062 0.000 1.323 1394 Y CB 0.533 39.018 38.460 0.042 0.000 1.266 1394 Y HN 0.251 nan 8.280 nan 0.000 0.527 1395 R N 0.233 120.841 120.500 0.181 0.000 2.628 1395 R HA 0.360 4.700 4.340 -0.000 0.000 0.288 1395 R C -0.905 175.444 176.300 0.082 0.000 0.980 1395 R CA -0.934 55.204 56.100 0.063 0.000 0.891 1395 R CB 2.116 32.410 30.300 -0.011 0.000 1.188 1395 R HN 0.592 nan 8.270 nan 0.000 0.450 1396 S N 2.795 118.525 115.700 0.050 0.000 2.498 1396 S HA 0.126 4.596 4.470 -0.000 0.000 0.314 1396 S C -0.586 174.037 174.600 0.038 0.000 1.141 1396 S CA -0.352 57.872 58.200 0.041 0.000 1.087 1396 S CB -0.618 62.597 63.200 0.024 0.000 1.178 1396 S HN 0.671 nan 8.310 nan 0.000 0.533 1397 N N 2.492 121.221 118.700 0.049 0.000 3.344 1397 N HA 0.510 5.250 4.740 -0.000 0.000 0.296 1397 N C 0.670 176.211 175.510 0.052 0.000 1.571 1397 N CA -0.282 52.797 53.050 0.049 0.000 0.844 1397 N CB 0.170 38.689 38.487 0.053 0.000 1.718 1397 N HN 0.180 nan 8.380 nan 0.000 0.589 1398 A N -0.355 122.497 122.820 0.053 0.000 1.940 1398 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 1398 A C 2.041 179.657 177.584 0.053 0.000 1.176 1398 A CA 2.554 54.623 52.037 0.053 0.000 0.631 1398 A CB -1.510 17.523 19.000 0.055 0.000 0.814 1398 A HN 0.892 nan 8.150 nan 0.000 0.446 1399 A N -0.828 122.026 122.820 0.057 0.000 1.897 1399 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 1399 A C 2.102 179.721 177.584 0.058 0.000 1.181 1399 A CA 1.534 53.605 52.037 0.057 0.000 0.620 1399 A CB -0.553 18.485 19.000 0.064 0.000 0.821 1399 A HN 0.555 nan 8.150 nan 0.000 0.443 1400 L N 0.113 121.375 121.223 0.065 0.000 2.046 1400 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 1400 L C 1.423 178.314 176.870 0.036 0.000 1.077 1400 L CA 2.208 57.080 54.840 0.054 0.000 0.747 1400 L CB -0.544 41.551 42.059 0.061 0.000 0.896 1400 L HN 0.301 nan 8.230 nan 0.000 0.432 1401 D N -1.108 119.315 120.400 0.039 0.000 2.309 1401 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 1401 D C 2.089 178.413 176.300 0.041 0.000 0.968 1401 D CA 1.056 55.078 54.000 0.036 0.000 0.882 1401 D CB 0.027 40.850 40.800 0.039 0.000 0.918 1401 D HN 0.289 nan 8.370 nan 0.000 0.503 1402 S N 0.145 115.871 115.700 0.043 0.000 2.607 1402 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 1402 S C 0.710 175.337 174.600 0.046 0.000 0.969 1402 S CA -0.157 58.069 58.200 0.045 0.000 0.927 1402 S CB 0.094 63.320 63.200 0.043 0.000 0.772 1402 S HN 0.254 nan 8.310 nan 0.000 0.533 1403 N N 1.297 120.022 118.700 0.041 0.000 2.509 1403 N HA 0.426 5.166 4.740 -0.000 0.000 0.287 1403 N C -0.971 174.571 175.510 0.052 0.000 1.121 1403 N CA -0.032 53.042 53.050 0.040 0.000 0.977 1403 N CB 1.858 40.356 38.487 0.017 0.000 1.167 1403 N HN -0.083 nan 8.380 nan 0.000 0.476 1404 V N 2.553 122.507 119.914 0.068 0.000 2.686 1404 V HA 0.456 4.576 4.120 -0.000 0.000 0.306 1404 V C -0.000 176.149 176.094 0.092 0.000 1.065 1404 V CA -0.717 61.636 62.300 0.088 0.000 0.894 1404 V CB 1.960 33.850 31.823 0.112 0.000 1.004 1404 V HN 0.490 nan 8.190 nan 0.000 0.424 1405 I N 3.993 124.616 120.570 0.087 0.000 2.488 1405 I HA 0.399 4.569 4.170 -0.000 0.000 0.299 1405 I C -1.062 175.136 176.117 0.135 0.000 0.984 1405 I CA -0.647 60.691 61.300 0.064 0.000 1.250 1405 I CB 1.203 39.196 38.000 -0.012 0.000 1.389 1405 I HN 0.617 nan 8.210 nan 0.000 0.488 1406 Y N 5.084 125.310 120.300 -0.125 0.000 2.328 1406 Y HA 0.272 4.822 4.550 -0.000 0.000 0.333 1406 Y C -0.092 175.616 175.900 -0.320 0.000 0.958 1406 Y CA -1.518 56.457 58.100 -0.208 0.000 1.167 1406 Y CB 1.150 39.392 38.460 -0.363 0.000 1.151 1406 Y HN 0.565 nan 8.280 nan 0.000 0.470 1407 E N 4.097 124.124 120.200 -0.288 0.000 1.944 1407 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 1407 E C 0.308 176.507 176.600 -0.668 0.000 1.195 1407 E CA -0.075 56.142 56.400 -0.304 0.000 0.926 1407 E CB 0.005 29.682 29.700 -0.039 0.000 1.051 1407 E HN 0.988 nan 8.360 nan 0.000 0.404 1408 G N 5.436 113.741 108.800 -0.825 0.000 3.639 1408 G HA2 0.263 4.223 3.960 -0.000 0.000 0.279 1408 G HA3 0.263 4.223 3.960 -0.000 0.000 0.279 1408 G C -0.505 174.291 174.900 -0.173 0.000 1.312 1408 G CA -0.221 44.311 45.100 -0.947 0.000 1.355 1408 G HN 0.510 nan 8.290 nan 0.000 0.595 1409 F N -1.902 117.810 119.950 -0.396 0.000 2.711 1409 F HA 0.823 5.350 4.527 0.000 0.000 0.313 1409 F C -0.744 174.965 175.800 -0.151 0.000 1.141 1409 F CA -1.515 56.217 58.000 -0.446 0.000 0.941 1409 F CB 1.440 40.223 39.000 -0.361 0.000 1.349 1409 F HN -0.040 nan 8.300 nan 0.000 0.464 1410 S N 0.453 116.120 115.700 -0.054 0.000 2.599 1410 S HA 0.387 4.857 4.470 -0.000 0.000 0.287 1410 S C -0.065 174.740 174.600 0.341 0.000 1.105 1410 S CA -0.755 57.585 58.200 0.234 0.000 0.899 1410 S CB 1.499 64.979 63.200 0.468 0.000 1.100 1410 S HN 0.726 nan 8.310 nan 0.000 0.482 1411 N N 1.250 120.121 118.700 0.286 0.000 2.289 1411 N HA 0.014 4.754 4.740 -0.000 0.000 0.184 1411 N C 0.360 175.717 175.510 -0.255 0.000 1.016 1411 N CA 1.219 54.259 53.050 -0.017 0.000 0.872 1411 N CB -0.386 37.884 38.487 -0.362 0.000 0.973 1411 N HN 0.632 nan 8.380 nan 0.000 0.433 1412 F N 0.390 120.477 119.950 0.228 0.000 2.645 1412 F HA 0.358 4.885 4.527 0.000 0.000 0.300 1412 F C 0.624 176.519 175.800 0.158 0.000 1.115 1412 F CA -0.579 57.541 58.000 0.199 0.000 1.355 1412 F CB -0.260 38.813 39.000 0.122 0.000 1.026 1412 F HN -0.177 nan 8.300 nan 0.000 0.536 1413 I N 0.997 121.705 120.570 0.229 0.000 2.775 1413 I HA -0.157 4.013 4.170 -0.000 0.000 0.290 1413 I C 0.050 176.286 176.117 0.198 0.000 1.203 1413 I CA 0.009 61.388 61.300 0.132 0.000 1.433 1413 I CB 0.138 38.228 38.000 0.150 0.000 1.354 1413 I HN -0.015 nan 8.210 nan 0.000 0.579 1414 Y N 4.439 124.825 120.300 0.145 0.000 2.300 1414 Y HA 0.152 4.702 4.550 -0.000 0.000 0.328 1414 Y C -0.036 175.901 175.900 0.061 0.000 1.270 1414 Y CA -1.599 56.585 58.100 0.140 0.000 1.352 1414 Y CB 0.116 38.684 38.460 0.181 0.000 1.286 1414 Y HN 0.436 nan 8.280 nan 0.000 0.536 1415 W N 3.479 124.895 121.300 0.194 0.000 2.193 1415 W HA 0.234 4.894 4.660 -0.000 0.000 0.338 1415 W C -1.915 174.666 176.519 0.102 0.000 1.310 1415 W CA -1.050 56.342 57.345 0.077 0.000 1.243 1415 W CB -0.307 29.169 29.460 0.027 0.000 1.165 1415 W HN 0.261 nan 8.180 nan 0.000 0.566 1416 P HA 0.041 nan 4.420 nan 0.000 0.271 1416 P C 0.695 178.112 177.300 0.195 0.000 1.218 1416 P CA 0.166 63.381 63.100 0.193 0.000 0.780 1416 P CB 0.865 32.639 31.700 0.125 0.000 0.901 1417 T N -2.200 112.445 114.554 0.150 0.000 3.057 1417 T HA 0.112 4.462 4.350 -0.000 0.000 0.254 1417 T C 0.645 175.396 174.700 0.086 0.000 1.094 1417 T CA 0.541 62.709 62.100 0.114 0.000 1.088 1417 T CB -0.516 68.413 68.868 0.101 0.000 0.934 1417 T HN 0.574 nan 8.240 nan 0.000 0.497 1418 T N -1.848 112.755 114.554 0.082 0.000 2.896 1418 T HA 0.467 4.816 4.350 -0.000 0.000 0.297 1418 T C 0.621 175.355 174.700 0.058 0.000 1.108 1418 T CA -0.688 61.449 62.100 0.060 0.000 1.004 1418 T CB 2.412 71.309 68.868 0.048 0.000 1.159 1418 T HN 0.061 nan 8.240 nan 0.000 0.499 1419 E N 0.835 121.061 120.200 0.044 0.000 2.110 1419 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1419 E C 1.884 178.501 176.600 0.028 0.000 0.988 1419 E CA 1.667 58.089 56.400 0.036 0.000 0.804 1419 E CB -0.220 29.496 29.700 0.027 0.000 0.745 1419 E HN 0.760 nan 8.360 nan 0.000 0.458 1420 S N -0.072 115.644 115.700 0.027 0.000 2.474 1420 S HA -0.110 4.360 4.470 -0.000 0.000 0.235 1420 S C 1.435 176.055 174.600 0.033 0.000 0.997 1420 S CA 0.922 59.135 58.200 0.023 0.000 0.949 1420 S CB -0.104 63.107 63.200 0.018 0.000 0.766 1420 S HN 0.311 nan 8.310 nan 0.000 0.517 1421 E N 0.684 120.912 120.200 0.047 0.000 2.478 1421 E HA 0.123 4.473 4.350 -0.000 0.000 0.194 1421 E C 0.191 176.828 176.600 0.061 0.000 1.045 1421 E CA -0.253 56.186 56.400 0.065 0.000 0.868 1421 E CB 0.155 29.905 29.700 0.083 0.000 0.885 1421 E HN 0.522 nan 8.360 nan 0.000 0.505 1422 R N 1.057 121.575 120.500 0.030 0.000 2.538 1422 R HA 0.009 4.349 4.340 -0.000 0.000 0.282 1422 R C 1.139 177.408 176.300 -0.052 0.000 1.009 1422 R CA 0.096 56.188 56.100 -0.013 0.000 1.063 1422 R CB 0.409 30.696 30.300 -0.022 0.000 0.945 1422 R HN -0.000 nan 8.270 nan 0.000 0.414 1423 T N 2.213 116.691 114.554 -0.127 0.000 2.624 1423 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 1423 T C 1.374 175.838 174.700 -0.393 0.000 1.041 1423 T CA 1.628 63.469 62.100 -0.433 0.000 1.159 1423 T CB -0.123 68.405 68.868 -0.566 0.000 0.863 1423 T HN 0.541 nan 8.240 nan 0.000 0.434 1424 N N 0.516 119.062 118.700 -0.257 0.000 2.331 1424 N HA 0.001 4.741 4.740 -0.000 0.000 0.180 1424 N C 1.914 177.326 175.510 -0.162 0.000 1.019 1424 N CA 0.431 53.332 53.050 -0.248 0.000 0.881 1424 N CB -0.572 37.788 38.487 -0.212 0.000 0.972 1424 N HN 0.219 nan 8.380 nan 0.000 0.435 1425 V N 1.588 121.441 119.914 -0.102 0.000 2.287 1425 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 1425 V C 2.263 178.337 176.094 -0.034 0.000 1.053 1425 V CA 1.581 63.845 62.300 -0.060 0.000 1.027 1425 V CB -0.342 31.463 31.823 -0.030 0.000 0.646 1425 V HN 0.291 nan 8.190 nan 0.000 0.447 1426 R N -0.487 120.017 120.500 0.007 0.000 2.115 1426 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 1426 R C 2.257 178.639 176.300 0.137 0.000 1.111 1426 R CA 1.366 57.523 56.100 0.096 0.000 0.976 1426 R CB -0.389 30.055 30.300 0.239 0.000 0.870 1426 R HN 0.446 nan 8.270 nan 0.000 0.445 1427 I N 0.823 121.444 120.570 0.085 0.000 2.226 1427 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 1427 I C 2.612 178.746 176.117 0.028 0.000 1.100 1427 I CA 1.270 62.645 61.300 0.125 0.000 1.374 1427 I CB -0.427 37.426 38.000 -0.245 0.000 1.057 1427 I HN 0.184 nan 8.210 nan 0.000 0.413 1428 A N 0.118 122.892 122.820 -0.076 0.000 1.940 1428 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 1428 A C 2.210 179.749 177.584 -0.075 0.000 1.176 1428 A CA 1.613 53.593 52.037 -0.094 0.000 0.631 1428 A CB -0.589 18.349 19.000 -0.104 0.000 0.814 1428 A HN 0.500 nan 8.150 nan 0.000 0.446 1429 Q N -0.674 119.091 119.800 -0.058 0.000 2.297 1429 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 1429 Q C 0.614 176.530 176.000 -0.139 0.000 0.962 1429 Q CA 0.859 56.616 55.803 -0.077 0.000 0.879 1429 Q CB 0.037 28.745 28.738 -0.049 0.000 0.947 1429 Q HN 0.611 nan 8.270 nan 0.000 0.462 1430 N N -0.664 117.920 118.700 -0.193 0.000 2.234 1430 N HA 0.182 4.921 4.740 -0.000 0.000 0.227 1430 N C 0.659 175.700 175.510 -0.781 0.000 1.151 1430 N CA 0.246 52.995 53.050 -0.502 0.000 0.865 1430 N CB 0.846 38.968 38.487 -0.610 0.000 1.066 1430 N HN 0.117 nan 8.380 nan 0.000 0.515 1431 A N 1.200 123.834 122.820 -0.310 0.000 1.908 1431 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 1431 A C 1.736 179.193 177.584 -0.211 0.000 1.181 1431 A CA 1.492 53.458 52.037 -0.118 0.000 0.627 1431 A CB -0.154 18.824 19.000 -0.037 0.000 0.818 1431 A HN 0.074 nan 8.150 nan 0.000 0.445 1432 D N -0.642 119.610 120.400 -0.246 0.000 2.178 1432 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 1432 D C 1.818 177.915 176.300 -0.338 0.000 0.974 1432 D CA 1.087 54.958 54.000 -0.215 0.000 0.841 1432 D CB -0.347 40.356 40.800 -0.162 0.000 0.953 1432 D HN 0.379 nan 8.370 nan 0.000 0.478 1433 L N 0.242 121.138 121.223 -0.544 0.000 1.994 1433 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 1433 L C 1.941 178.160 176.870 -1.085 0.000 1.071 1433 L CA 1.592 55.977 54.840 -0.759 0.000 0.745 1433 L CB -0.726 40.845 42.059 -0.813 0.000 0.892 1433 L HN -0.143 nan 8.230 nan 0.000 0.431 1434 F N 0.464 119.973 119.950 -0.734 0.000 2.126 1434 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 1434 F C 2.598 178.196 175.800 -0.337 0.000 1.096 1434 F CA 1.672 59.279 58.000 -0.655 0.000 1.255 1434 F CB -1.312 37.608 39.000 -0.133 0.000 0.997 1434 F HN 0.168 nan 8.300 nan 0.000 0.479 1435 K N 0.712 121.069 120.400 -0.071 0.000 2.103 1435 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 1435 K C 2.297 178.872 176.600 -0.042 0.000 1.048 1435 K CA 1.585 57.861 56.287 -0.018 0.000 0.930 1435 K CB -0.240 32.242 32.500 -0.030 0.000 0.716 1435 K HN 0.347 nan 8.250 nan 0.000 0.444 1436 S N -0.437 115.169 115.700 -0.157 0.000 2.423 1436 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 1436 S C 1.310 175.973 174.600 0.105 0.000 1.014 1436 S CA 0.434 58.594 58.200 -0.066 0.000 0.965 1436 S CB -0.409 62.725 63.200 -0.110 0.000 0.785 1436 S HN 0.431 nan 8.310 nan 0.000 0.495 1437 W N 1.848 123.151 121.300 0.005 0.000 3.180 1437 W HA 0.485 5.145 4.660 0.000 0.000 0.254 1437 W C 1.752 178.269 176.519 -0.003 0.000 1.318 1437 W CA -0.382 56.948 57.345 -0.024 0.000 1.608 1437 W CB -1.552 27.872 29.460 -0.059 0.000 1.124 1437 W HN 0.555 nan 8.180 nan 0.000 0.694 1438 G N 0.690 109.612 108.800 0.204 0.000 2.148 1438 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 1438 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 1438 G C 0.130 175.120 174.900 0.150 0.000 0.981 1438 G CA -0.356 44.829 45.100 0.141 0.000 0.670 1438 G HN 0.017 nan 8.290 nan 0.000 0.528 1439 I N 2.000 122.685 120.570 0.191 0.000 2.668 1439 I HA 0.184 4.354 4.170 -0.000 0.000 0.285 1439 I C 1.861 178.064 176.117 0.143 0.000 1.168 1439 I CA 1.412 62.820 61.300 0.180 0.000 1.424 1439 I CB 0.520 38.651 38.000 0.219 0.000 1.377 1439 I HN 0.361 nan 8.210 nan 0.000 0.560 1440 T N 0.428 115.052 114.554 0.117 0.000 2.969 1440 T HA 0.092 4.442 4.350 -0.000 0.000 0.250 1440 T C 0.763 175.521 174.700 0.097 0.000 1.021 1440 T CA -0.030 62.126 62.100 0.093 0.000 1.003 1440 T CB 0.355 69.260 68.868 0.063 0.000 1.040 1440 T HN 0.564 nan 8.240 nan 0.000 0.492 1441 T N 0.684 115.301 114.554 0.105 0.000 2.952 1441 T HA 0.579 4.929 4.350 -0.000 0.000 0.305 1441 T C -2.220 172.569 174.700 0.149 0.000 1.064 1441 T CA -0.821 61.349 62.100 0.117 0.000 1.008 1441 T CB 1.292 70.197 68.868 0.061 0.000 1.078 1441 T HN 0.258 nan 8.240 nan 0.000 0.459 1442 F N 4.149 124.117 119.950 0.030 0.000 2.361 1442 F HA 0.464 4.991 4.527 0.000 0.000 0.364 1442 F C 0.458 176.240 175.800 -0.030 0.000 1.120 1442 F CA -0.763 57.241 58.000 0.007 0.000 1.102 1442 F CB 0.826 39.795 39.000 -0.051 0.000 1.183 1442 F HN 0.590 nan 8.300 nan 0.000 0.476 1443 E N 6.928 127.095 120.200 -0.056 0.000 2.070 1443 E HA 0.213 4.563 4.350 -0.000 0.000 0.282 1443 E C -1.050 175.600 176.600 0.083 0.000 1.104 1443 E CA -0.569 55.836 56.400 0.009 0.000 0.876 1443 E CB 0.522 30.183 29.700 -0.064 0.000 1.055 1443 E HN 0.611 nan 8.360 nan 0.000 0.401 1444 L N 3.214 124.528 121.223 0.151 0.000 2.439 1444 L HA 0.302 4.642 4.340 -0.000 0.000 0.261 1444 L C 0.676 177.309 176.870 -0.394 0.000 1.153 1444 L CA 0.071 54.889 54.840 -0.036 0.000 0.808 1444 L CB 0.896 42.882 42.059 -0.122 0.000 1.126 1444 L HN 0.598 nan 8.230 nan 0.000 0.460 1445 A N 3.310 125.583 122.820 -0.912 0.000 2.475 1445 A HA 0.330 4.650 4.320 -0.000 0.000 0.239 1445 A C -2.190 174.786 177.584 -1.014 0.000 1.087 1445 A CA -0.801 50.254 52.037 -1.636 0.000 0.779 1445 A CB -0.907 16.880 19.000 -2.021 0.000 1.036 1445 A HN 0.552 nan 8.150 nan 0.000 0.506 1446 P HA 0.032 nan 4.420 nan 0.000 0.265 1446 P C -0.407 176.418 177.300 -0.791 0.000 1.193 1446 P CA 0.307 62.934 63.100 -0.790 0.000 0.765 1446 P CB 0.622 31.922 31.700 -0.667 0.000 0.823 1447 Q N 1.105 120.239 119.800 -1.110 0.000 2.319 1447 Q HA 0.074 4.414 4.340 -0.000 0.000 0.202 1447 Q C -0.001 175.591 176.000 -0.680 0.000 0.896 1447 Q CA 0.060 55.425 55.803 -0.730 0.000 0.942 1447 Q CB -0.211 28.163 28.738 -0.607 0.000 1.083 1447 Q HN 0.540 nan 8.270 nan 0.000 0.510 1448 Y N 1.426 121.617 120.300 -0.182 0.000 2.511 1448 Y HA 0.042 4.592 4.550 -0.000 0.000 0.332 1448 Y C 0.805 176.699 175.900 -0.010 0.000 1.177 1448 Y CA -0.925 57.081 58.100 -0.156 0.000 1.422 1448 Y CB -0.035 38.106 38.460 -0.532 0.000 1.271 1448 Y HN -0.088 nan 8.280 nan 0.000 0.550 1449 N N 1.067 119.864 118.700 0.161 0.000 2.454 1449 N HA -0.021 4.719 4.740 -0.000 0.000 0.260 1449 N C -0.032 175.616 175.510 0.230 0.000 1.218 1449 N CA -0.115 53.033 53.050 0.162 0.000 0.904 1449 N CB 0.660 39.255 38.487 0.180 0.000 1.065 1449 N HN 0.629 nan 8.380 nan 0.000 0.462 1450 S N 0.478 116.286 115.700 0.180 0.000 2.568 1450 S HA 0.033 4.503 4.470 -0.000 0.000 0.282 1450 S C 1.336 176.019 174.600 0.138 0.000 1.338 1450 S CA -0.304 57.990 58.200 0.155 0.000 1.045 1450 S CB 0.299 63.579 63.200 0.133 0.000 0.873 1450 S HN 0.596 nan 8.310 nan 0.000 0.516 1451 S N 3.067 118.811 115.700 0.073 0.000 2.489 1451 S HA 0.080 4.550 4.470 -0.000 0.000 0.228 1451 S C 0.603 175.234 174.600 0.053 0.000 0.995 1451 S CA 0.454 58.699 58.200 0.075 0.000 0.934 1451 S CB -0.627 62.602 63.200 0.048 0.000 0.771 1451 S HN 0.896 nan 8.310 nan 0.000 0.522 1452 K N 0.757 121.177 120.400 0.034 0.000 3.088 1452 K HA -0.198 4.122 4.320 -0.000 0.000 0.273 1452 K C -0.264 176.346 176.600 0.016 0.000 1.111 1452 K CA 1.077 57.381 56.287 0.028 0.000 0.803 1452 K CB -1.835 30.678 32.500 0.023 0.000 1.226 1452 K HN 0.808 nan 8.250 nan 0.000 0.485 1453 D N -0.751 119.665 120.400 0.027 0.000 2.350 1453 D HA 0.111 4.751 4.640 -0.000 0.000 0.213 1453 D C 1.207 177.531 176.300 0.040 0.000 1.031 1453 D CA 0.557 54.584 54.000 0.045 0.000 0.861 1453 D CB 0.187 41.039 40.800 0.087 0.000 0.926 1453 D HN 0.341 nan 8.370 nan 0.000 0.520 1454 G N 0.319 109.134 108.800 0.026 0.000 2.166 1454 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 1454 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 1454 G C 1.121 176.053 174.900 0.053 0.000 0.986 1454 G CA 1.102 46.206 45.100 0.006 0.000 0.683 1454 G HN 0.645 nan 8.290 nan 0.000 0.527 1455 T N -3.323 111.312 114.554 0.134 0.000 3.129 1455 T HA 0.556 4.906 4.350 -0.000 0.000 0.251 1455 T C 0.348 175.251 174.700 0.338 0.000 1.117 1455 T CA 0.914 63.127 62.100 0.188 0.000 1.034 1455 T CB 0.242 69.223 68.868 0.187 0.000 0.968 1455 T HN 1.223 nan 8.240 nan 0.000 0.526 1456 F N -0.539 119.487 119.950 0.127 0.000 2.741 1456 F HA 0.460 4.987 4.527 -0.000 0.000 0.311 1456 F C 0.241 176.091 175.800 0.083 0.000 1.149 1456 F CA -1.863 56.222 58.000 0.141 0.000 0.930 1456 F CB 0.804 39.956 39.000 0.253 0.000 1.312 1456 F HN -0.160 nan 8.300 nan 0.000 0.450 1457 L N 2.092 122.815 121.223 -0.832 0.000 2.051 1457 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 1457 L C 1.612 178.359 176.870 -0.205 0.000 1.076 1457 L CA 2.414 56.971 54.840 -0.472 0.000 0.758 1457 L CB -0.848 40.889 42.059 -0.537 0.000 0.890 1457 L HN 0.718 nan 8.230 nan 0.000 0.433 1458 D N -0.709 119.640 120.400 -0.085 0.000 2.190 1458 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 1458 D C 2.010 178.331 176.300 0.036 0.000 0.992 1458 D CA 1.599 55.683 54.000 0.140 0.000 0.854 1458 D CB -0.177 40.854 40.800 0.386 0.000 0.936 1458 D HN 0.625 nan 8.370 nan 0.000 0.462 1459 S N -1.341 114.351 115.700 -0.012 0.000 2.568 1459 S HA 0.266 4.736 4.470 -0.000 0.000 0.232 1459 S C 1.575 176.167 174.600 -0.014 0.000 0.975 1459 S CA -0.426 57.744 58.200 -0.050 0.000 0.949 1459 S CB 0.077 63.199 63.200 -0.131 0.000 0.829 1459 S HN 0.149 nan 8.310 nan 0.000 0.479 1460 I N 0.698 121.248 120.570 -0.033 0.000 2.947 1460 I HA 0.145 4.315 4.170 -0.000 0.000 0.263 1460 I C 1.531 177.661 176.117 0.020 0.000 1.130 1460 I CA 0.419 61.678 61.300 -0.067 0.000 1.448 1460 I CB 0.056 37.936 38.000 -0.201 0.000 1.222 1460 I HN 0.325 nan 8.210 nan 0.000 0.453 1461 I N -2.289 118.306 120.570 0.040 0.000 3.883 1461 I HA 0.219 4.389 4.170 -0.000 0.000 0.326 1461 I C -0.313 175.844 176.117 0.065 0.000 1.283 1461 I CA -0.519 60.835 61.300 0.091 0.000 1.161 1461 I CB -0.846 37.155 38.000 0.002 0.000 1.012 1461 I HN 0.001 nan 8.210 nan 0.000 0.421 1462 D N 2.393 122.835 120.400 0.070 0.000 2.705 1462 D HA -0.202 4.438 4.640 -0.000 0.000 0.240 1462 D C 0.588 176.830 176.300 -0.096 0.000 1.137 1462 D CA 1.143 55.176 54.000 0.055 0.000 0.677 1462 D CB -1.444 39.507 40.800 0.253 0.000 1.049 1462 D HN 0.725 nan 8.370 nan 0.000 0.427 1463 N N -0.325 118.366 118.700 -0.014 0.000 2.446 1463 N HA 0.098 4.838 4.740 -0.000 0.000 0.179 1463 N C 1.629 177.075 175.510 -0.106 0.000 1.054 1463 N CA 1.300 54.345 53.050 -0.008 0.000 0.905 1463 N CB 0.208 38.795 38.487 0.168 0.000 0.973 1463 N HN 0.523 nan 8.380 nan 0.000 0.448 1464 G N -1.172 107.602 108.800 -0.043 0.000 2.184 1464 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.206 1464 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.206 1464 G C 0.293 175.303 174.900 0.183 0.000 0.995 1464 G CA 0.160 45.252 45.100 -0.013 0.000 0.651 1464 G HN 0.323 nan 8.290 nan 0.000 0.511 1465 Y N 0.856 121.329 120.300 0.287 0.000 2.517 1465 Y HA 0.577 5.127 4.550 0.000 0.000 0.281 1465 Y C 1.852 177.842 175.900 0.151 0.000 1.125 1465 Y CA 0.821 59.138 58.100 0.361 0.000 1.283 1465 Y CB 0.597 39.231 38.460 0.289 0.000 1.042 1465 Y HN 0.557 nan 8.280 nan 0.000 0.547 1466 A N 0.922 123.777 122.820 0.058 0.000 2.293 1466 A HA 0.644 4.964 4.320 -0.000 0.000 0.312 1466 A C -1.108 176.282 177.584 -0.324 0.000 1.309 1466 A CA -0.427 51.195 52.037 -0.692 0.000 0.839 1466 A CB -0.705 17.600 19.000 -1.159 0.000 1.155 1466 A HN 0.214 nan 8.150 nan 0.000 0.501 1467 F N -0.793 119.141 119.950 -0.026 0.000 2.613 1467 F HA 0.703 5.230 4.527 0.000 0.000 0.310 1467 F C 0.517 176.391 175.800 0.125 0.000 1.085 1467 F CA -0.773 57.276 58.000 0.081 0.000 0.945 1467 F CB 1.021 40.116 39.000 0.160 0.000 1.298 1467 F HN 0.113 nan 8.300 nan 0.000 0.455 1468 T N -1.453 113.317 114.554 0.361 0.000 3.033 1468 T HA 0.034 4.384 4.350 -0.000 0.000 0.248 1468 T C -0.371 174.543 174.700 0.355 0.000 1.040 1468 T CA 1.080 63.351 62.100 0.285 0.000 1.133 1468 T CB -0.117 68.886 68.868 0.224 0.000 0.895 1468 T HN 0.617 nan 8.240 nan 0.000 0.465 1469 D N 0.769 121.403 120.400 0.390 0.000 2.414 1469 D HA 0.310 4.950 4.640 -0.000 0.000 0.232 1469 D C 0.724 177.180 176.300 0.261 0.000 1.070 1469 D CA -0.433 53.783 54.000 0.360 0.000 0.839 1469 D CB 1.116 42.147 40.800 0.385 0.000 1.079 1469 D HN -0.062 nan 8.370 nan 0.000 0.521 1470 R N 2.238 122.804 120.500 0.110 0.000 2.152 1470 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 1470 R C 0.812 177.027 176.300 -0.141 0.000 1.117 1470 R CA 1.248 57.070 56.100 -0.463 0.000 0.981 1470 R CB 0.058 29.710 30.300 -1.080 0.000 0.870 1470 R HN 0.538 nan 8.270 nan 0.000 0.451 1471 Y N -0.959 119.437 120.300 0.161 0.000 2.458 1471 Y HA 0.124 4.674 4.550 0.000 0.000 0.256 1471 Y C 0.227 176.363 175.900 0.394 0.000 1.159 1471 Y CA -0.536 57.747 58.100 0.305 0.000 1.261 1471 Y CB 0.507 39.044 38.460 0.129 0.000 1.119 1471 Y HN -0.127 nan 8.280 nan 0.000 0.524 1472 D N 1.038 121.683 120.400 0.408 0.000 2.479 1472 D HA 0.209 4.849 4.640 -0.000 0.000 0.218 1472 D C -1.179 175.217 176.300 0.160 0.000 1.131 1472 D CA -0.171 53.927 54.000 0.164 0.000 0.916 1472 D CB 0.362 41.329 40.800 0.279 0.000 1.022 1472 D HN 0.025 nan 8.370 nan 0.000 0.515 1473 L N 2.987 124.295 121.223 0.143 0.000 2.407 1473 L HA 0.395 4.735 4.340 -0.000 0.000 0.261 1473 L C 1.475 178.363 176.870 0.030 0.000 1.108 1473 L CA -0.320 54.532 54.840 0.019 0.000 0.995 1473 L CB 0.855 42.826 42.059 -0.147 0.000 1.349 1473 L HN 0.581 nan 8.230 nan 0.000 0.423 1474 G N 1.736 110.546 108.800 0.017 0.000 2.225 1474 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 1474 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 1474 G C 0.894 175.823 174.900 0.049 0.000 1.024 1474 G CA 1.003 46.123 45.100 0.033 0.000 0.784 1474 G HN 0.510 nan 8.290 nan 0.000 0.507 1475 M N 0.072 119.678 119.600 0.009 0.000 2.718 1475 M HA 0.081 4.561 4.480 -0.000 0.000 0.259 1475 M C 2.771 179.121 176.300 0.082 0.000 1.240 1475 M CA 1.524 56.804 55.300 -0.033 0.000 1.210 1475 M CB 0.039 32.442 32.600 -0.328 0.000 1.281 1475 M HN 0.447 nan 8.290 nan 0.000 0.515 1476 S N -1.350 114.444 115.700 0.155 0.000 2.428 1476 S HA 0.001 4.471 4.470 -0.000 0.000 0.230 1476 S C 0.914 175.620 174.600 0.176 0.000 1.014 1476 S CA 0.923 59.298 58.200 0.292 0.000 0.957 1476 S CB -0.161 63.266 63.200 0.377 0.000 0.784 1476 S HN 0.449 nan 8.310 nan 0.000 0.499 1477 T N 0.846 115.483 114.554 0.139 0.000 2.827 1477 T HA 0.446 4.796 4.350 -0.000 0.000 0.328 1477 T C -3.345 171.426 174.700 0.119 0.000 1.598 1477 T CA -1.368 60.802 62.100 0.116 0.000 1.043 1477 T CB 1.225 70.156 68.868 0.106 0.000 1.447 1477 T HN -0.152 nan 8.240 nan 0.000 0.491 1478 P HA 0.158 nan 4.420 nan 0.000 0.265 1478 P C -0.446 176.945 177.300 0.151 0.000 1.187 1478 P CA -0.094 63.078 63.100 0.119 0.000 0.766 1478 P CB 0.282 32.066 31.700 0.140 0.000 0.820 1479 N N 2.046 120.758 118.700 0.020 0.000 2.328 1479 N HA 0.046 4.786 4.740 -0.000 0.000 0.277 1479 N C 0.948 176.165 175.510 -0.489 0.000 1.286 1479 N CA -0.147 52.832 53.050 -0.119 0.000 0.949 1479 N CB 0.083 38.461 38.487 -0.183 0.000 1.136 1479 N HN 0.234 nan 8.380 nan 0.000 0.550 1480 K N -1.749 117.951 120.400 -1.167 0.000 2.283 1480 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 1480 K C 0.444 176.331 176.600 -1.189 0.000 1.048 1480 K CA 1.069 56.200 56.287 -1.926 0.000 0.948 1480 K CB -0.174 31.104 32.500 -2.036 0.000 0.742 1480 K HN 0.551 nan 8.250 nan 0.000 0.458 1481 Y N -0.760 119.253 120.300 -0.479 0.000 2.462 1481 Y HA 0.308 4.858 4.550 -0.000 0.000 0.261 1481 Y C 1.066 176.809 175.900 -0.262 0.000 1.146 1481 Y CA 0.164 58.035 58.100 -0.383 0.000 1.283 1481 Y CB 0.808 39.021 38.460 -0.411 0.000 1.090 1481 Y HN 0.167 nan 8.280 nan 0.000 0.526 1482 G N -0.469 108.262 108.800 -0.114 0.000 2.334 1482 G HA2 0.136 4.096 3.960 -0.000 0.000 0.315 1482 G HA3 0.136 4.096 3.960 -0.000 0.000 0.315 1482 G C -0.643 174.247 174.900 -0.018 0.000 1.284 1482 G CA -0.647 44.425 45.100 -0.045 0.000 0.985 1482 G HN 0.295 nan 8.290 nan 0.000 0.504 1483 S N -0.443 115.259 115.700 0.003 0.000 2.655 1483 S HA 0.467 4.937 4.470 -0.000 0.000 0.265 1483 S C 1.453 176.064 174.600 0.020 0.000 1.240 1483 S CA 0.795 59.008 58.200 0.022 0.000 0.986 1483 S CB 1.290 64.507 63.200 0.029 0.000 0.985 1483 S HN 1.136 nan 8.310 nan 0.000 0.562 1484 D N -0.099 120.333 120.400 0.053 0.000 2.178 1484 D HA -0.214 4.426 4.640 -0.000 0.000 0.201 1484 D C 1.451 177.791 176.300 0.066 0.000 0.980 1484 D CA 1.434 55.500 54.000 0.109 0.000 0.842 1484 D CB -0.460 40.443 40.800 0.171 0.000 0.948 1484 D HN 0.678 nan 8.370 nan 0.000 0.472 1485 E N 1.161 121.375 120.200 0.023 0.000 2.106 1485 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 1485 E C 1.526 178.107 176.600 -0.031 0.000 0.984 1485 E CA 1.335 57.730 56.400 -0.008 0.000 0.806 1485 E CB -0.104 29.592 29.700 -0.007 0.000 0.750 1485 E HN 0.131 nan 8.360 nan 0.000 0.458 1486 D N 0.011 120.391 120.400 -0.033 0.000 2.144 1486 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 1486 D C 1.940 178.178 176.300 -0.103 0.000 0.984 1486 D CA 0.824 54.786 54.000 -0.064 0.000 0.834 1486 D CB -0.255 40.510 40.800 -0.059 0.000 0.955 1486 D HN 0.230 nan 8.370 nan 0.000 0.465 1487 L N 1.403 122.572 121.223 -0.090 0.000 1.994 1487 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 1487 L C 2.193 178.961 176.870 -0.169 0.000 1.071 1487 L CA 1.651 56.401 54.840 -0.150 0.000 0.745 1487 L CB -0.387 41.603 42.059 -0.116 0.000 0.892 1487 L HN -0.179 nan 8.230 nan 0.000 0.431 1488 R N -0.347 120.112 120.500 -0.068 0.000 2.091 1488 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 1488 R C 2.033 178.244 176.300 -0.148 0.000 1.136 1488 R CA 1.460 57.500 56.100 -0.099 0.000 0.959 1488 R CB -0.635 29.628 30.300 -0.062 0.000 0.856 1488 R HN 0.490 nan 8.270 nan 0.000 0.437 1489 N N 0.644 119.269 118.700 -0.124 0.000 2.223 1489 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 1489 N C 1.588 176.995 175.510 -0.172 0.000 1.016 1489 N CA 1.340 54.315 53.050 -0.126 0.000 0.863 1489 N CB -0.206 38.224 38.487 -0.094 0.000 0.983 1489 N HN 0.234 nan 8.380 nan 0.000 0.429 1490 A N 1.102 123.792 122.820 -0.216 0.000 1.898 1490 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 1490 A C 2.361 179.723 177.584 -0.370 0.000 1.181 1490 A CA 0.817 52.682 52.037 -0.286 0.000 0.620 1490 A CB -0.670 18.128 19.000 -0.337 0.000 0.819 1490 A HN 0.198 nan 8.150 nan 0.000 0.442 1491 L N -0.870 120.100 121.223 -0.422 0.000 2.017 1491 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 1491 L C 2.909 179.435 176.870 -0.573 0.000 1.073 1491 L CA 1.906 56.391 54.840 -0.591 0.000 0.745 1491 L CB -0.620 41.092 42.059 -0.578 0.000 0.894 1491 L HN 0.590 nan 8.230 nan 0.000 0.432 1492 Q N 0.135 119.763 119.800 -0.288 0.000 2.084 1492 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 1492 Q C 2.271 178.191 176.000 -0.134 0.000 0.978 1492 Q CA 1.874 57.597 55.803 -0.134 0.000 0.844 1492 Q CB -0.066 28.620 28.738 -0.087 0.000 0.898 1492 Q HN 0.517 nan 8.270 nan 0.000 0.426 1493 A N 0.580 123.298 122.820 -0.169 0.000 1.898 1493 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 1493 A C 2.042 179.550 177.584 -0.126 0.000 1.181 1493 A CA 1.042 53.002 52.037 -0.128 0.000 0.620 1493 A CB -0.645 18.280 19.000 -0.125 0.000 0.819 1493 A HN 0.446 nan 8.150 nan 0.000 0.442 1494 L N -1.377 119.718 121.223 -0.213 0.000 2.042 1494 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 1494 L C 2.558 179.380 176.870 -0.079 0.000 1.076 1494 L CA 1.834 56.573 54.840 -0.168 0.000 0.749 1494 L CB -0.787 41.092 42.059 -0.300 0.000 0.893 1494 L HN 0.550 nan 8.230 nan 0.000 0.432 1495 H N -0.656 118.368 119.070 -0.076 0.000 2.353 1495 H HA -0.207 4.349 4.556 -0.000 0.000 0.300 1495 H C 2.306 177.602 175.328 -0.053 0.000 1.090 1495 H CA 1.298 57.306 56.048 -0.067 0.000 1.327 1495 H CB 0.097 29.808 29.762 -0.085 0.000 1.383 1495 H HN 0.197 nan 8.280 nan 0.000 0.508 1496 K N 0.873 121.310 120.400 0.062 0.000 2.152 1496 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 1496 K C 2.026 178.629 176.600 0.005 0.000 1.048 1496 K CA 1.105 57.402 56.287 0.015 0.000 0.933 1496 K CB -0.041 32.451 32.500 -0.014 0.000 0.721 1496 K HN 0.271 nan 8.250 nan 0.000 0.447 1497 A N -0.290 122.533 122.820 0.005 0.000 2.251 1497 A HA 0.208 4.528 4.320 -0.000 0.000 0.209 1497 A C 1.232 178.828 177.584 0.022 0.000 1.187 1497 A CA 0.797 52.834 52.037 0.001 0.000 0.823 1497 A CB -0.181 18.816 19.000 -0.005 0.000 0.846 1497 A HN 0.539 nan 8.150 nan 0.000 0.486 1498 G N -1.879 106.945 108.800 0.039 0.000 2.141 1498 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.242 1498 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.242 1498 G C -0.154 174.783 174.900 0.063 0.000 0.982 1498 G CA 0.266 45.390 45.100 0.039 0.000 0.662 1498 G HN 0.349 nan 8.290 nan 0.000 0.527 1499 L N 0.618 121.897 121.223 0.093 0.000 2.343 1499 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 1499 L C 0.908 177.870 176.870 0.153 0.000 1.056 1499 L CA -0.334 54.575 54.840 0.116 0.000 0.804 1499 L CB 1.320 43.464 42.059 0.142 0.000 1.203 1499 L HN 0.347 nan 8.230 nan 0.000 0.440 1500 Q N 0.913 120.792 119.800 0.130 0.000 2.249 1500 Q HA 0.785 5.125 4.340 -0.000 0.000 0.226 1500 Q C -0.879 175.207 176.000 0.142 0.000 0.983 1500 Q CA -0.771 55.121 55.803 0.149 0.000 0.930 1500 Q CB 1.379 30.165 28.738 0.079 0.000 1.193 1500 Q HN 0.725 nan 8.270 nan 0.000 0.508 1501 A N 1.144 124.058 122.820 0.156 0.000 2.393 1501 A HA 0.627 4.947 4.320 -0.000 0.000 0.306 1501 A C -1.103 176.641 177.584 0.266 0.000 1.050 1501 A CA -0.622 51.504 52.037 0.149 0.000 0.724 1501 A CB 0.865 19.835 19.000 -0.049 0.000 1.248 1501 A HN 0.647 nan 8.150 nan 0.000 0.424 1502 I N 1.903 122.611 120.570 0.230 0.000 2.377 1502 I HA 0.520 4.690 4.170 -0.000 0.000 0.293 1502 I C 0.653 176.729 176.117 -0.068 0.000 0.987 1502 I CA -0.380 60.984 61.300 0.106 0.000 1.185 1502 I CB 1.966 39.973 38.000 0.012 0.000 1.341 1502 I HN 0.742 nan 8.210 nan 0.000 0.455 1503 A N 4.874 127.425 122.820 -0.447 0.000 2.289 1503 A HA 0.272 4.592 4.320 -0.000 0.000 0.298 1503 A C -0.454 176.850 177.584 -0.467 0.000 1.208 1503 A CA -0.475 50.932 52.037 -1.050 0.000 0.845 1503 A CB 0.369 18.479 19.000 -1.484 0.000 1.125 1503 A HN 0.661 nan 8.150 nan 0.000 0.517 1504 D N 2.457 122.638 120.400 -0.365 0.000 2.352 1504 D HA 0.150 4.790 4.640 -0.000 0.000 0.245 1504 D C -1.017 175.304 176.300 0.035 0.000 1.224 1504 D CA 0.098 54.043 54.000 -0.093 0.000 0.879 1504 D CB 0.328 41.072 40.800 -0.095 0.000 1.057 1504 D HN 0.493 nan 8.370 nan 0.000 0.491 1505 W N 4.975 126.157 121.300 -0.196 0.000 2.358 1505 W HA 0.321 4.981 4.660 0.000 0.000 0.307 1505 W C -0.862 175.623 176.519 -0.058 0.000 1.203 1505 W CA -0.884 56.262 57.345 -0.333 0.000 1.279 1505 W CB 0.658 29.938 29.460 -0.299 0.000 1.264 1505 W HN 0.061 nan 8.180 nan 0.000 0.474 1506 V N 10.318 130.222 119.914 -0.017 0.000 2.271 1506 V HA 0.148 4.268 4.120 -0.000 0.000 0.259 1506 V C -1.339 174.901 176.094 0.244 0.000 1.030 1506 V CA -0.948 61.496 62.300 0.241 0.000 0.957 1506 V CB 0.908 33.085 31.823 0.589 0.000 1.186 1506 V HN 0.474 nan 8.190 nan 0.000 0.471 1507 P HA -0.016 nan 4.420 nan 0.000 0.245 1507 P C 0.923 178.131 177.300 -0.153 0.000 1.212 1507 P CA 0.606 63.599 63.100 -0.179 0.000 0.774 1507 P CB 0.651 31.995 31.700 -0.593 0.000 0.999 1508 D N -0.060 120.277 120.400 -0.106 0.000 2.144 1508 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 1508 D C 0.925 177.129 176.300 -0.159 0.000 0.978 1508 D CA 1.140 55.058 54.000 -0.136 0.000 0.833 1508 D CB 0.267 41.003 40.800 -0.106 0.000 0.961 1508 D HN 0.128 nan 8.370 nan 0.000 0.470 1509 Q N -0.507 119.194 119.800 -0.164 0.000 2.630 1509 Q HA 0.377 4.717 4.340 -0.000 0.000 0.295 1509 Q C -1.516 174.279 176.000 -0.343 0.000 0.944 1509 Q CA -0.822 54.834 55.803 -0.244 0.000 0.766 1509 Q CB 0.929 29.494 28.738 -0.288 0.000 1.471 1509 Q HN 0.188 nan 8.270 nan 0.000 0.416 1510 I N 0.567 120.915 120.570 -0.370 0.000 2.769 1510 I HA 0.492 4.662 4.170 -0.000 0.000 0.298 1510 I C -1.287 174.664 176.117 -0.278 0.000 1.128 1510 I CA -0.966 60.121 61.300 -0.355 0.000 1.031 1510 I CB 2.418 40.225 38.000 -0.321 0.000 1.235 1510 I HN 0.580 nan 8.210 nan 0.000 0.423 1511 Y N 2.377 122.496 120.300 -0.301 0.000 2.487 1511 Y HA 0.308 4.858 4.550 -0.000 0.000 0.337 1511 Y C 0.715 176.561 175.900 -0.090 0.000 1.076 1511 Y CA -0.521 57.469 58.100 -0.184 0.000 1.115 1511 Y CB 1.389 39.768 38.460 -0.135 0.000 1.235 1511 Y HN 0.698 nan 8.280 nan 0.000 0.468 1512 N N 1.315 120.071 118.700 0.092 0.000 2.746 1512 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 1512 N C -1.824 173.731 175.510 0.075 0.000 1.055 1512 N CA 0.339 53.442 53.050 0.088 0.000 0.699 1512 N CB -1.104 37.460 38.487 0.128 0.000 0.919 1512 N HN 0.603 nan 8.380 nan 0.000 0.548 1513 L N 0.616 121.867 121.223 0.047 0.000 2.331 1513 L HA 0.302 4.642 4.340 -0.000 0.000 0.278 1513 L C -0.667 176.249 176.870 0.076 0.000 1.106 1513 L CA -1.409 53.484 54.840 0.089 0.000 0.824 1513 L CB 0.811 42.935 42.059 0.109 0.000 1.142 1513 L HN 0.140 nan 8.230 nan 0.000 0.443 1514 P HA -0.002 nan 4.420 nan 0.000 0.231 1514 P C 0.583 177.913 177.300 0.051 0.000 1.168 1514 P CA 0.349 63.483 63.100 0.057 0.000 0.779 1514 P CB 0.375 32.108 31.700 0.056 0.000 0.844 1515 G N 1.068 109.910 108.800 0.070 0.000 2.333 1515 G HA2 0.240 4.200 3.960 -0.000 0.000 0.290 1515 G HA3 0.240 4.200 3.960 -0.000 0.000 0.290 1515 G C -0.354 174.584 174.900 0.063 0.000 1.150 1515 G CA -0.380 44.756 45.100 0.060 0.000 0.895 1515 G HN 0.017 nan 8.290 nan 0.000 0.444 1516 K N 1.256 121.683 120.400 0.044 0.000 2.237 1516 K HA 0.316 4.636 4.320 -0.000 0.000 0.270 1516 K C -0.088 176.544 176.600 0.053 0.000 1.015 1516 K CA -0.004 56.312 56.287 0.050 0.000 0.949 1516 K CB 1.315 33.839 32.500 0.040 0.000 0.976 1516 K HN 0.657 nan 8.250 nan 0.000 0.472 1517 E N 0.748 120.990 120.200 0.070 0.000 2.308 1517 E HA 0.390 4.740 4.350 -0.000 0.000 0.275 1517 E C -1.775 174.883 176.600 0.097 0.000 0.890 1517 E CA -0.809 55.641 56.400 0.083 0.000 0.754 1517 E CB 1.691 31.455 29.700 0.108 0.000 1.207 1517 E HN 0.648 nan 8.360 nan 0.000 0.426 1518 A N 2.989 125.897 122.820 0.145 0.000 2.320 1518 A HA 0.573 4.893 4.320 -0.000 0.000 0.287 1518 A C -0.819 176.792 177.584 0.045 0.000 1.181 1518 A CA -0.324 51.759 52.037 0.077 0.000 0.831 1518 A CB 0.637 19.688 19.000 0.086 0.000 1.102 1518 A HN 0.313 nan 8.150 nan 0.000 0.513 1519 V N 2.167 122.026 119.914 -0.092 0.000 2.760 1519 V HA 0.355 4.475 4.120 -0.000 0.000 0.309 1519 V C 0.180 176.172 176.094 -0.170 0.000 1.077 1519 V CA -0.646 61.534 62.300 -0.201 0.000 0.910 1519 V CB 2.264 33.842 31.823 -0.408 0.000 1.008 1519 V HN 0.900 nan 8.190 nan 0.000 0.424 1520 T N 4.497 118.941 114.554 -0.183 0.000 2.814 1520 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 1520 T C -0.101 174.600 174.700 0.002 0.000 0.956 1520 T CA -0.020 62.020 62.100 -0.101 0.000 1.123 1520 T CB 0.812 69.616 68.868 -0.106 0.000 0.902 1520 T HN 0.867 nan 8.240 nan 0.000 0.528 1521 V N 1.234 121.179 119.914 0.052 0.000 3.130 1521 V HA 0.917 5.037 4.120 -0.000 0.000 0.310 1521 V C -0.546 175.578 176.094 0.050 0.000 1.158 1521 V CA -0.796 61.559 62.300 0.093 0.000 1.029 1521 V CB 2.517 34.382 31.823 0.071 0.000 1.057 1521 V HN 0.714 nan 8.190 nan 0.000 0.436 1522 T N 1.950 116.525 114.554 0.034 0.000 2.879 1522 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 1522 T C -0.490 174.194 174.700 -0.027 0.000 0.993 1522 T CA -0.475 61.638 62.100 0.023 0.000 0.975 1522 T CB 1.397 70.298 68.868 0.055 0.000 0.981 1522 T HN 1.055 nan 8.240 nan 0.000 0.439 1523 R N 2.828 123.309 120.500 -0.031 0.000 2.522 1523 R HA 0.414 4.754 4.340 -0.000 0.000 0.284 1523 R C -0.003 176.318 176.300 0.035 0.000 1.032 1523 R CA 0.292 56.343 56.100 -0.081 0.000 1.049 1523 R CB -0.081 30.168 30.300 -0.085 0.000 0.956 1523 R HN 0.763 nan 8.270 nan 0.000 0.422 1524 S N 2.006 117.697 115.700 -0.014 0.000 2.607 1524 S HA 0.461 4.931 4.470 -0.000 0.000 0.273 1524 S C -0.958 173.774 174.600 0.221 0.000 1.148 1524 S CA -0.806 57.474 58.200 0.133 0.000 0.833 1524 S CB 1.350 64.560 63.200 0.017 0.000 1.130 1524 S HN 0.656 nan 8.310 nan 0.000 0.470 1525 D N 0.100 120.742 120.400 0.403 0.000 2.398 1525 D HA 0.159 4.799 4.640 -0.000 0.000 0.264 1525 D C 0.746 177.277 176.300 0.384 0.000 1.263 1525 D CA 0.003 54.284 54.000 0.468 0.000 1.037 1525 D CB -0.165 40.932 40.800 0.495 0.000 1.101 1525 D HN 0.598 nan 8.370 nan 0.000 0.551 1526 D N -2.353 118.314 120.400 0.445 0.000 2.371 1526 D HA -0.150 4.490 4.640 -0.000 0.000 0.221 1526 D C 0.750 177.151 176.300 0.169 0.000 0.986 1526 D CA 0.922 55.105 54.000 0.304 0.000 0.899 1526 D CB -0.516 40.495 40.800 0.352 0.000 0.902 1526 D HN 0.435 nan 8.370 nan 0.000 0.530 1527 H N -1.032 118.125 119.070 0.145 0.000 2.549 1527 H HA 0.419 4.975 4.556 0.000 0.000 0.279 1527 H C 1.552 176.965 175.328 0.143 0.000 1.018 1527 H CA 0.313 56.380 56.048 0.031 0.000 1.175 1527 H CB 0.776 30.454 29.762 -0.140 0.000 1.485 1527 H HN 0.244 nan 8.280 nan 0.000 0.543 1528 G N 0.698 109.703 108.800 0.343 0.000 2.148 1528 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 1528 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 1528 G C 0.305 175.328 174.900 0.206 0.000 0.981 1528 G CA 0.479 45.765 45.100 0.310 0.000 0.670 1528 G HN 0.380 nan 8.290 nan 0.000 0.528 1529 T N 2.067 116.755 114.554 0.222 0.000 2.794 1529 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 1529 T C 0.874 175.674 174.700 0.166 0.000 0.949 1529 T CA 0.470 62.676 62.100 0.178 0.000 1.101 1529 T CB 1.151 70.126 68.868 0.179 0.000 0.905 1529 T HN 0.271 nan 8.240 nan 0.000 0.516 1530 T N 4.142 118.772 114.554 0.126 0.000 2.933 1530 T HA -0.062 4.288 4.350 -0.000 0.000 0.306 1530 T C 0.046 174.842 174.700 0.161 0.000 1.045 1530 T CA 0.004 62.184 62.100 0.133 0.000 1.143 1530 T CB 0.203 69.125 68.868 0.091 0.000 1.003 1530 T HN 0.487 nan 8.240 nan 0.000 0.540 1531 W N 4.388 125.691 121.300 0.005 0.000 2.481 1531 W HA 0.070 4.730 4.660 -0.000 0.000 0.320 1531 W C 0.736 177.255 176.519 0.001 0.000 1.209 1531 W CA -0.752 56.593 57.345 -0.000 0.000 1.400 1531 W CB 0.326 29.774 29.460 -0.020 0.000 1.361 1531 W HN 0.811 nan 8.180 nan 0.000 0.456 1532 E N 2.517 122.635 120.200 -0.137 0.000 2.110 1532 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 1532 E C 1.967 178.572 176.600 0.009 0.000 0.988 1532 E CA 1.542 57.906 56.400 -0.060 0.000 0.804 1532 E CB -0.226 29.402 29.700 -0.119 0.000 0.745 1532 E HN 0.529 nan 8.360 nan 0.000 0.458 1533 V N -1.201 118.721 119.914 0.015 0.000 3.623 1533 V HA 0.144 4.264 4.120 -0.000 0.000 0.271 1533 V C 1.074 177.282 176.094 0.189 0.000 1.248 1533 V CA 0.033 62.389 62.300 0.094 0.000 1.156 1533 V CB -0.045 31.824 31.823 0.077 0.000 0.870 1533 V HN -0.052 nan 8.190 nan 0.000 0.453 1534 S N 2.377 118.248 115.700 0.285 0.000 2.545 1534 S HA 0.402 4.872 4.470 -0.000 0.000 0.275 1534 S C -0.893 173.780 174.600 0.122 0.000 1.299 1534 S CA -0.918 57.405 58.200 0.206 0.000 1.048 1534 S CB 1.290 64.610 63.200 0.201 0.000 0.938 1534 S HN 0.447 nan 8.310 nan 0.000 0.496 1535 P HA 0.162 nan 4.420 nan 0.000 0.249 1535 P C -0.002 177.350 177.300 0.087 0.000 1.229 1535 P CA 0.322 63.469 63.100 0.078 0.000 0.788 1535 P CB -0.123 31.615 31.700 0.065 0.000 1.072 1536 I N 1.114 121.735 120.570 0.085 0.000 2.227 1536 I HA 0.132 4.302 4.170 -0.000 0.000 0.297 1536 I C 0.390 176.553 176.117 0.076 0.000 1.173 1536 I CA 0.165 61.516 61.300 0.085 0.000 1.356 1536 I CB -0.353 37.678 38.000 0.050 0.000 1.485 1536 I HN -0.259 nan 8.210 nan 0.000 0.604 1537 K N 5.145 125.597 120.400 0.087 0.000 2.545 1537 K HA 0.335 4.655 4.320 -0.000 0.000 0.252 1537 K C -0.373 176.277 176.600 0.083 0.000 0.948 1537 K CA -0.875 55.459 56.287 0.078 0.000 0.827 1537 K CB 1.488 34.032 32.500 0.074 0.000 1.128 1537 K HN 0.352 nan 8.250 nan 0.000 0.429 1538 N N 0.510 119.254 118.700 0.073 0.000 2.725 1538 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 1538 N C -0.992 174.576 175.510 0.096 0.000 1.031 1538 N CA 0.573 53.664 53.050 0.069 0.000 0.720 1538 N CB -0.971 37.554 38.487 0.064 0.000 0.930 1538 N HN 0.193 nan 8.380 nan 0.000 0.543 1539 V N 0.640 120.618 119.914 0.107 0.000 2.555 1539 V HA 0.361 4.481 4.120 -0.000 0.000 0.302 1539 V C 0.750 176.900 176.094 0.093 0.000 1.038 1539 V CA -0.884 61.522 62.300 0.177 0.000 0.887 1539 V CB 2.410 34.359 31.823 0.211 0.000 0.991 1539 V HN 0.017 nan 8.190 nan 0.000 0.434 1540 V N 5.137 125.025 119.914 -0.044 0.000 2.572 1540 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 1540 V C -0.579 175.518 176.094 0.005 0.000 1.039 1540 V CA 0.152 62.281 62.300 -0.284 0.000 1.055 1540 V CB 0.323 31.566 31.823 -0.966 0.000 0.969 1540 V HN 0.773 nan 8.190 nan 0.000 0.482 1541 Y N 4.631 124.866 120.300 -0.109 0.000 2.492 1541 Y HA 0.576 5.126 4.550 -0.000 0.000 0.346 1541 Y C -0.527 175.386 175.900 0.022 0.000 0.997 1541 Y CA -1.259 56.855 58.100 0.023 0.000 1.025 1541 Y CB 1.654 40.147 38.460 0.055 0.000 1.263 1541 Y HN 0.418 nan 8.280 nan 0.000 0.454 1542 I N 5.107 125.583 120.570 -0.157 0.000 2.312 1542 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 1542 I C 0.351 176.522 176.117 0.089 0.000 1.031 1542 I CA -0.155 61.144 61.300 -0.002 0.000 1.293 1542 I CB 0.361 38.404 38.000 0.073 0.000 1.403 1542 I HN 0.687 nan 8.210 nan 0.000 0.484 1543 T N 2.725 117.376 114.554 0.161 0.000 2.949 1543 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 1543 T C -0.052 174.715 174.700 0.112 0.000 1.034 1543 T CA -0.896 61.323 62.100 0.199 0.000 1.018 1543 T CB 1.553 70.535 68.868 0.190 0.000 1.135 1543 T HN 0.390 nan 8.240 nan 0.000 0.532 1544 N N 0.789 119.542 118.700 0.088 0.000 2.816 1544 N HA 0.409 5.149 4.740 -0.000 0.000 0.236 1544 N C 0.364 175.900 175.510 0.042 0.000 1.076 1544 N CA -0.483 52.599 53.050 0.054 0.000 0.902 1544 N CB 0.979 39.481 38.487 0.025 0.000 1.149 1544 N HN 0.848 nan 8.380 nan 0.000 0.506 1545 T N -2.239 112.380 114.554 0.107 0.000 3.087 1545 T HA 0.340 4.690 4.350 -0.000 0.000 0.283 1545 T C 0.360 175.263 174.700 0.339 0.000 0.956 1545 T CA -0.019 62.195 62.100 0.190 0.000 0.894 1545 T CB 0.147 69.183 68.868 0.280 0.000 1.160 1545 T HN 0.133 nan 8.240 nan 0.000 0.532 1546 I N 2.110 122.819 120.570 0.231 0.000 2.339 1546 I HA 0.670 4.840 4.170 -0.000 0.000 0.290 1546 I C 0.840 177.087 176.117 0.216 0.000 0.994 1546 I CA -0.236 61.205 61.300 0.235 0.000 1.191 1546 I CB 1.354 39.440 38.000 0.143 0.000 1.343 1546 I HN 0.515 nan 8.210 nan 0.000 0.458 1547 G N 3.541 112.505 108.800 0.273 0.000 2.334 1547 G HA2 0.400 4.360 3.960 -0.000 0.000 0.249 1547 G HA3 0.400 4.360 3.960 -0.000 0.000 0.249 1547 G C 0.037 175.153 174.900 0.360 0.000 1.327 1547 G CA 0.026 45.269 45.100 0.239 0.000 0.979 1547 G HN 0.994 nan 8.290 nan 0.000 0.471 1548 G N -1.656 107.341 108.800 0.328 0.000 2.902 1548 G HA2 0.615 4.575 3.960 -0.000 0.000 0.215 1548 G HA3 0.615 4.575 3.960 -0.000 0.000 0.215 1548 G C 1.693 176.779 174.900 0.310 0.000 0.976 1548 G CA 1.274 46.639 45.100 0.442 0.000 0.794 1548 G HN 2.989 nan 8.290 nan 0.000 0.557 1549 G N -0.166 108.761 108.800 0.212 0.000 2.781 1549 G HA2 0.080 4.040 3.960 -0.000 0.000 0.683 1549 G HA3 0.080 4.040 3.960 -0.000 0.000 0.683 1549 G C 0.352 175.305 174.900 0.089 0.000 1.390 1549 G CA 0.402 45.606 45.100 0.175 0.000 0.850 1549 G HN 0.383 nan 8.290 nan 0.000 0.557 1550 E N -0.458 119.736 120.200 -0.010 0.000 2.208 1550 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 1550 E C 2.054 178.468 176.600 -0.310 0.000 0.988 1550 E CA 1.664 57.930 56.400 -0.223 0.000 0.828 1550 E CB -0.053 29.409 29.700 -0.397 0.000 0.763 1550 E HN 0.649 nan 8.360 nan 0.000 0.478 1551 Y N 0.606 120.964 120.300 0.098 0.000 2.314 1551 Y HA -0.083 4.467 4.550 -0.000 0.000 0.294 1551 Y C 2.614 178.517 175.900 0.005 0.000 1.119 1551 Y CA 0.839 59.024 58.100 0.142 0.000 1.179 1551 Y CB -0.277 38.415 38.460 0.386 0.000 1.025 1551 Y HN 0.013 nan 8.280 nan 0.000 0.541 1552 Q N 1.431 121.344 119.800 0.188 0.000 2.096 1552 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 1552 Q C 2.148 178.023 176.000 -0.209 0.000 0.982 1552 Q CA 2.139 57.923 55.803 -0.032 0.000 0.850 1552 Q CB -0.175 28.689 28.738 0.210 0.000 0.901 1552 Q HN 0.387 nan 8.270 nan 0.000 0.422 1553 K N -0.098 120.215 120.400 -0.145 0.000 2.057 1553 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 1553 K C 2.102 178.540 176.600 -0.269 0.000 1.049 1553 K CA 1.621 57.793 56.287 -0.192 0.000 0.931 1553 K CB -0.173 32.234 32.500 -0.155 0.000 0.714 1553 K HN 0.164 nan 8.250 nan 0.000 0.440 1554 K N -0.826 119.373 120.400 -0.336 0.000 2.025 1554 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 1554 K C 1.411 177.692 176.600 -0.532 0.000 1.049 1554 K CA 1.488 57.489 56.287 -0.476 0.000 0.933 1554 K CB -0.006 32.100 32.500 -0.657 0.000 0.714 1554 K HN 0.180 nan 8.250 nan 0.000 0.438 1555 Y N 0.031 120.102 120.300 -0.383 0.000 2.481 1555 Y HA 0.277 4.827 4.550 -0.000 0.000 0.258 1555 Y C 1.004 176.521 175.900 -0.638 0.000 1.103 1555 Y CA -0.089 57.701 58.100 -0.517 0.000 1.287 1555 Y CB -0.026 38.088 38.460 -0.576 0.000 1.108 1555 Y HN 0.030 nan 8.280 nan 0.000 0.529 1556 G N 0.395 108.888 108.800 -0.512 0.000 2.138 1556 G HA2 0.275 4.235 3.960 -0.000 0.000 0.256 1556 G HA3 0.275 4.235 3.960 -0.000 0.000 0.256 1556 G C 1.245 176.008 174.900 -0.229 0.000 1.141 1556 G CA 0.604 45.491 45.100 -0.355 0.000 0.967 1556 G HN 0.702 nan 8.290 nan 0.000 0.435 1557 G N 2.204 110.939 108.800 -0.108 0.000 2.196 1557 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.268 1557 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.268 1557 G C 1.000 175.812 174.900 -0.147 0.000 0.975 1557 G CA 0.691 45.744 45.100 -0.079 0.000 0.648 1557 G HN 0.642 nan 8.290 nan 0.000 0.538 1558 E N -0.698 119.309 120.200 -0.322 0.000 2.427 1558 E HA 0.119 4.469 4.350 -0.000 0.000 0.196 1558 E C 1.449 177.695 176.600 -0.591 0.000 1.028 1558 E CA 0.530 56.625 56.400 -0.508 0.000 0.864 1558 E CB -0.147 29.165 29.700 -0.646 0.000 0.813 1558 E HN 0.635 nan 8.360 nan 0.000 0.514 1559 F N -0.473 119.518 119.950 0.067 0.000 2.695 1559 F HA 0.204 4.731 4.527 -0.000 0.000 0.303 1559 F C 1.848 177.576 175.800 -0.120 0.000 1.091 1559 F CA -0.143 57.829 58.000 -0.048 0.000 1.300 1559 F CB -0.235 38.741 39.000 -0.040 0.000 1.071 1559 F HN -0.095 nan 8.300 nan 0.000 0.578 1560 L N -0.245 121.006 121.223 0.047 0.000 2.093 1560 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 1560 L C 1.952 178.775 176.870 -0.079 0.000 1.085 1560 L CA 1.145 56.018 54.840 0.055 0.000 0.755 1560 L CB -0.414 41.680 42.059 0.058 0.000 0.904 1560 L HN 0.029 nan 8.230 nan 0.000 0.435 1561 D N -0.452 119.890 120.400 -0.097 0.000 2.097 1561 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 1561 D C 2.183 178.413 176.300 -0.116 0.000 0.989 1561 D CA 1.698 55.622 54.000 -0.127 0.000 0.827 1561 D CB -0.212 40.532 40.800 -0.094 0.000 0.966 1561 D HN 0.224 nan 8.370 nan 0.000 0.456 1562 T N 1.083 115.592 114.554 -0.074 0.000 2.746 1562 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 1562 T C 2.252 176.880 174.700 -0.120 0.000 1.039 1562 T CA 0.547 62.597 62.100 -0.084 0.000 1.142 1562 T CB -0.300 68.541 68.868 -0.045 0.000 0.866 1562 T HN 0.099 nan 8.240 nan 0.000 0.444 1563 L N 0.722 121.898 121.223 -0.078 0.000 2.012 1563 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 1563 L C 2.895 179.876 176.870 0.184 0.000 1.073 1563 L CA 1.525 56.454 54.840 0.148 0.000 0.748 1563 L CB -0.551 41.725 42.059 0.362 0.000 0.891 1563 L HN 0.308 nan 8.230 nan 0.000 0.431 1564 Q N -0.653 119.047 119.800 -0.167 0.000 2.224 1564 Q HA -0.194 4.146 4.340 -0.000 0.000 0.203 1564 Q C 2.177 178.084 176.000 -0.154 0.000 0.970 1564 Q CA 0.884 56.442 55.803 -0.410 0.000 0.865 1564 Q CB -0.065 28.211 28.738 -0.770 0.000 0.922 1564 Q HN 0.260 nan 8.270 nan 0.000 0.445 1565 K N 1.479 121.791 120.400 -0.147 0.000 2.076 1565 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 1565 K C 1.435 177.947 176.600 -0.146 0.000 1.051 1565 K CA 1.368 57.581 56.287 -0.123 0.000 0.949 1565 K CB 0.240 32.672 32.500 -0.114 0.000 0.726 1565 K HN 0.250 nan 8.250 nan 0.000 0.443 1566 E N -1.069 118.974 120.200 -0.262 0.000 2.122 1566 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 1566 E C -0.117 176.179 176.600 -0.507 0.000 0.977 1566 E CA 0.636 56.723 56.400 -0.521 0.000 0.820 1566 E CB 0.225 29.359 29.700 -0.943 0.000 0.770 1566 E HN 0.219 nan 8.360 nan 0.000 0.462 1567 Y N -0.293 120.072 120.300 0.109 0.000 2.470 1567 Y HA 0.236 4.786 4.550 0.000 0.000 0.352 1567 Y C -2.039 173.996 175.900 0.225 0.000 0.967 1567 Y CA -2.728 55.452 58.100 0.133 0.000 1.121 1567 Y CB 0.658 39.204 38.460 0.144 0.000 1.149 1567 Y HN 0.022 nan 8.280 nan 0.000 0.641 1568 P HA -0.229 nan 4.420 nan 0.000 0.219 1568 P C 1.412 178.906 177.300 0.323 0.000 1.146 1568 P CA 1.417 64.682 63.100 0.275 0.000 0.808 1568 P CB 0.376 32.149 31.700 0.122 0.000 0.779 1569 Q N 0.346 120.284 119.800 0.231 0.000 2.297 1569 Q HA -0.141 4.199 4.340 -0.000 0.000 0.208 1569 Q C 1.994 178.070 176.000 0.127 0.000 0.981 1569 Q CA 1.310 57.204 55.803 0.151 0.000 0.876 1569 Q CB -1.479 27.317 28.738 0.096 0.000 0.921 1569 Q HN 0.325 nan 8.270 nan 0.000 0.446 1570 L N -0.678 120.635 121.223 0.151 0.000 2.275 1570 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 1570 L C 1.475 178.166 176.870 -0.299 0.000 1.119 1570 L CA 0.855 55.640 54.840 -0.093 0.000 0.790 1570 L CB -0.356 41.568 42.059 -0.225 0.000 0.919 1570 L HN 0.074 nan 8.230 nan 0.000 0.443 1571 F N -1.270 118.747 119.950 0.112 0.000 2.695 1571 F HA 0.027 4.554 4.527 0.000 0.000 0.303 1571 F C 2.214 178.051 175.800 0.063 0.000 1.091 1571 F CA 0.296 58.353 58.000 0.095 0.000 1.300 1571 F CB 0.050 39.096 39.000 0.077 0.000 1.071 1571 F HN 0.035 nan 8.300 nan 0.000 0.578 1572 S N -2.206 113.576 115.700 0.136 0.000 2.523 1572 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 1572 S C 0.642 175.222 174.600 -0.033 0.000 0.996 1572 S CA -0.406 57.833 58.200 0.064 0.000 0.921 1572 S CB -0.111 63.128 63.200 0.064 0.000 0.829 1572 S HN -0.011 nan 8.310 nan 0.000 0.495 1573 Q N 2.104 121.843 119.800 -0.102 0.000 2.300 1573 Q HA 0.291 4.631 4.340 -0.000 0.000 0.280 1573 Q C -0.503 175.204 176.000 -0.488 0.000 1.033 1573 Q CA 0.199 55.819 55.803 -0.305 0.000 0.903 1573 Q CB 1.081 29.575 28.738 -0.406 0.000 1.195 1573 Q HN 0.252 nan 8.270 nan 0.000 0.386 1574 V N 4.619 124.264 119.914 -0.447 0.000 2.394 1574 V HA 0.222 4.342 4.120 -0.000 0.000 0.282 1574 V C -0.519 175.276 176.094 -0.499 0.000 1.031 1574 V CA -0.649 61.437 62.300 -0.357 0.000 0.881 1574 V CB 0.313 32.057 31.823 -0.131 0.000 0.982 1574 V HN 0.539 nan 8.190 nan 0.000 0.451 1575 Y N 6.734 127.057 120.300 0.038 0.000 2.320 1575 Y HA 0.353 4.903 4.550 -0.000 0.000 0.324 1575 Y C -1.165 174.773 175.900 0.064 0.000 1.190 1575 Y CA -2.228 55.899 58.100 0.046 0.000 1.215 1575 Y CB 0.904 39.381 38.460 0.029 0.000 1.221 1575 Y HN 0.417 nan 8.280 nan 0.000 0.486 1576 P HA -0.111 nan 4.420 nan 0.000 0.220 1576 P C 1.196 178.585 177.300 0.148 0.000 1.152 1576 P CA 1.153 64.351 63.100 0.163 0.000 0.812 1576 P CB 0.436 32.246 31.700 0.184 0.000 0.792 1577 V N 0.991 120.998 119.914 0.155 0.000 2.273 1577 V HA -0.155 3.965 4.120 -0.000 0.000 0.242 1577 V C 2.882 179.077 176.094 0.169 0.000 1.035 1577 V CA 2.774 65.151 62.300 0.129 0.000 1.013 1577 V CB -2.025 29.853 31.823 0.092 0.000 0.652 1577 V HN 0.250 nan 8.190 nan 0.000 0.452 1578 T N -2.577 112.089 114.554 0.187 0.000 2.951 1578 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 1578 T C 1.158 176.020 174.700 0.270 0.000 1.073 1578 T CA 1.048 63.309 62.100 0.269 0.000 1.134 1578 T CB -0.309 68.611 68.868 0.087 0.000 0.884 1578 T HN 0.572 nan 8.240 nan 0.000 0.479 1579 Q N 0.375 120.288 119.800 0.188 0.000 2.481 1579 Q HA -0.170 4.170 4.340 -0.000 0.000 0.258 1579 Q C 0.104 176.187 176.000 0.138 0.000 0.961 1579 Q CA 1.083 56.971 55.803 0.142 0.000 1.121 1579 Q CB -2.244 26.572 28.738 0.130 0.000 1.503 1579 Q HN 0.695 nan 8.270 nan 0.000 0.544 1580 T N -1.556 113.089 114.554 0.151 0.000 2.696 1580 T HA 0.523 4.873 4.350 -0.000 0.000 0.291 1580 T C -0.198 174.562 174.700 0.100 0.000 1.095 1580 T CA 0.153 62.328 62.100 0.126 0.000 1.026 1580 T CB 1.825 70.806 68.868 0.189 0.000 1.390 1580 T HN 0.248 nan 8.240 nan 0.000 0.513 1581 T N 0.349 114.957 114.554 0.091 0.000 2.816 1581 T HA 0.593 4.943 4.350 -0.000 0.000 0.282 1581 T C 1.052 175.839 174.700 0.145 0.000 0.993 1581 T CA -0.656 61.510 62.100 0.110 0.000 0.994 1581 T CB -0.113 68.814 68.868 0.098 0.000 1.025 1581 T HN 0.766 nan 8.240 nan 0.000 0.529 1582 I N -1.245 119.433 120.570 0.180 0.000 3.194 1582 I HA 0.483 4.653 4.170 -0.000 0.000 0.283 1582 I C -0.278 175.906 176.117 0.113 0.000 1.199 1582 I CA -0.522 60.830 61.300 0.087 0.000 1.328 1582 I CB 0.361 38.384 38.000 0.039 0.000 1.404 1582 I HN 0.521 nan 8.210 nan 0.000 0.618 1583 D N 3.977 124.427 120.400 0.082 0.000 2.389 1583 D HA 0.355 4.995 4.640 -0.000 0.000 0.256 1583 D C -2.081 174.286 176.300 0.111 0.000 1.239 1583 D CA -2.238 51.823 54.000 0.102 0.000 0.925 1583 D CB 1.494 42.328 40.800 0.057 0.000 1.145 1583 D HN 0.359 nan 8.370 nan 0.000 0.542 1584 P HA 0.024 nan 4.420 nan 0.000 0.257 1584 P C 0.854 178.184 177.300 0.049 0.000 1.325 1584 P CA 0.107 63.289 63.100 0.137 0.000 0.850 1584 P CB 0.106 31.926 31.700 0.200 0.000 1.324 1585 S N -1.397 114.331 115.700 0.048 0.000 2.481 1585 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 1585 S C 0.790 175.396 174.600 0.011 0.000 0.996 1585 S CA 0.196 58.410 58.200 0.023 0.000 0.942 1585 S CB -0.655 62.567 63.200 0.036 0.000 0.768 1585 S HN -0.032 nan 8.310 nan 0.000 0.520 1586 V N 1.879 121.800 119.914 0.013 0.000 2.531 1586 V HA 0.412 4.532 4.120 -0.000 0.000 0.301 1586 V C -0.546 175.520 176.094 -0.046 0.000 1.034 1586 V CA -1.009 61.290 62.300 -0.001 0.000 0.865 1586 V CB 1.952 33.800 31.823 0.042 0.000 0.995 1586 V HN 0.229 nan 8.190 nan 0.000 0.424 1587 K N 4.630 124.984 120.400 -0.076 0.000 2.143 1587 K HA 0.624 4.944 4.320 -0.000 0.000 0.272 1587 K C -0.810 175.671 176.600 -0.198 0.000 1.001 1587 K CA -0.455 55.755 56.287 -0.128 0.000 0.915 1587 K CB 1.877 34.299 32.500 -0.130 0.000 1.047 1587 K HN 0.524 nan 8.250 nan 0.000 0.458 1588 I N 3.708 124.089 120.570 -0.314 0.000 2.291 1588 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 1588 I C 0.806 176.642 176.117 -0.469 0.000 1.050 1588 I CA -0.055 60.932 61.300 -0.521 0.000 1.245 1588 I CB 0.743 38.170 38.000 -0.955 0.000 1.405 1588 I HN 0.574 nan 8.210 nan 0.000 0.478 1589 K N 4.223 124.410 120.400 -0.356 0.000 2.380 1589 K HA 0.212 4.532 4.320 -0.000 0.000 0.198 1589 K C 0.216 176.665 176.600 -0.251 0.000 1.070 1589 K CA 0.194 56.312 56.287 -0.281 0.000 1.040 1589 K CB 0.977 33.358 32.500 -0.199 0.000 0.903 1589 K HN 0.535 nan 8.250 nan 0.000 0.549 1590 E N -0.144 119.882 120.200 -0.291 0.000 2.335 1590 E HA 0.166 4.516 4.350 -0.000 0.000 0.280 1590 E C -1.643 174.846 176.600 -0.184 0.000 0.918 1590 E CA -0.713 55.590 56.400 -0.161 0.000 0.765 1590 E CB 0.999 30.682 29.700 -0.029 0.000 1.218 1590 E HN -0.036 nan 8.360 nan 0.000 0.425 1591 W N 2.376 123.763 121.300 0.144 0.000 2.237 1591 W HA 0.475 5.135 4.660 0.000 0.000 0.335 1591 W C 0.406 177.083 176.519 0.264 0.000 1.230 1591 W CA 0.076 57.543 57.345 0.203 0.000 1.253 1591 W CB 1.512 31.134 29.460 0.270 0.000 1.129 1591 W HN 0.555 nan 8.180 nan 0.000 0.590 1592 S N -0.232 115.772 115.700 0.507 0.000 2.656 1592 S HA 0.632 5.102 4.470 -0.000 0.000 0.273 1592 S C 0.340 175.194 174.600 0.423 0.000 1.168 1592 S CA -0.415 58.022 58.200 0.396 0.000 0.817 1592 S CB 1.061 64.374 63.200 0.188 0.000 1.146 1592 S HN 0.757 nan 8.310 nan 0.000 0.475 1593 A N 1.352 124.399 122.820 0.377 0.000 1.986 1593 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 1593 A C 1.984 179.744 177.584 0.294 0.000 1.171 1593 A CA 2.048 54.319 52.037 0.390 0.000 0.640 1593 A CB -1.188 17.800 19.000 -0.021 0.000 0.811 1593 A HN 0.948 nan 8.150 nan 0.000 0.451 1594 K N -2.247 118.187 120.400 0.056 0.000 2.362 1594 K HA -0.116 4.204 4.320 -0.000 0.000 0.200 1594 K C 0.766 177.326 176.600 -0.068 0.000 1.046 1594 K CA 1.352 57.598 56.287 -0.068 0.000 0.952 1594 K CB -0.330 32.011 32.500 -0.265 0.000 0.753 1594 K HN 0.469 nan 8.250 nan 0.000 0.466 1595 Y N 0.026 120.357 120.300 0.052 0.000 2.458 1595 Y HA 0.319 4.869 4.550 -0.000 0.000 0.256 1595 Y C -0.188 175.581 175.900 -0.219 0.000 1.159 1595 Y CA -1.103 56.949 58.100 -0.080 0.000 1.261 1595 Y CB 0.219 38.620 38.460 -0.097 0.000 1.119 1595 Y HN -0.121 nan 8.280 nan 0.000 0.524 1596 F N -0.645 119.529 119.950 0.374 0.000 2.522 1596 F HA 0.374 4.901 4.527 0.000 0.000 0.324 1596 F C 1.139 177.037 175.800 0.163 0.000 1.077 1596 F CA -1.190 56.948 58.000 0.229 0.000 0.944 1596 F CB 1.041 40.201 39.000 0.266 0.000 1.175 1596 F HN -0.254 nan 8.300 nan 0.000 0.468 1597 N N 0.533 119.339 118.700 0.177 0.000 2.376 1597 N HA 0.232 4.972 4.740 -0.000 0.000 0.177 1597 N C 0.640 176.124 175.510 -0.043 0.000 1.024 1597 N CA 0.908 53.974 53.050 0.027 0.000 0.893 1597 N CB 0.497 38.818 38.487 -0.277 0.000 0.980 1597 N HN 0.855 nan 8.380 nan 0.000 0.439 1598 G N -1.598 107.003 108.800 -0.333 0.000 2.344 1598 G HA2 0.278 4.238 3.960 -0.000 0.000 0.282 1598 G HA3 0.278 4.238 3.960 -0.000 0.000 0.282 1598 G C -1.589 172.957 174.900 -0.591 0.000 1.281 1598 G CA -0.204 44.318 45.100 -0.963 0.000 0.877 1598 G HN 0.089 nan 8.290 nan 0.000 0.494 1599 T N -0.078 114.223 114.554 -0.422 0.000 2.868 1599 T HA 0.533 4.883 4.350 -0.000 0.000 0.306 1599 T C -0.593 174.058 174.700 -0.081 0.000 1.224 1599 T CA -0.114 61.865 62.100 -0.202 0.000 1.012 1599 T CB 1.216 70.023 68.868 -0.100 0.000 1.221 1599 T HN 1.172 nan 8.240 nan 0.000 0.499 1600 N N 3.074 121.738 118.700 -0.060 0.000 2.381 1600 N HA 0.144 4.884 4.740 -0.000 0.000 0.241 1600 N C 0.680 176.050 175.510 -0.233 0.000 1.279 1600 N CA -0.351 52.585 53.050 -0.190 0.000 0.896 1600 N CB 0.191 38.521 38.487 -0.262 0.000 1.118 1600 N HN 0.869 nan 8.380 nan 0.000 0.438 1601 I N -2.426 117.959 120.570 -0.308 0.000 2.752 1601 I HA -0.025 4.145 4.170 -0.000 0.000 0.287 1601 I C 0.628 176.672 176.117 -0.122 0.000 1.188 1601 I CA -0.144 61.035 61.300 -0.202 0.000 1.427 1601 I CB 0.222 38.115 38.000 -0.179 0.000 1.365 1601 I HN 0.432 nan 8.210 nan 0.000 0.585 1602 L N 4.277 125.531 121.223 0.053 0.000 2.693 1602 L HA 0.241 4.581 4.340 -0.000 0.000 0.235 1602 L C 0.579 177.488 176.870 0.065 0.000 1.127 1602 L CA -0.057 54.792 54.840 0.015 0.000 0.914 1602 L CB -0.798 41.350 42.059 0.149 0.000 1.193 1602 L HN 0.866 nan 8.230 nan 0.000 0.502 1603 H N -0.986 118.114 119.070 0.050 0.000 2.992 1603 H HA -0.190 4.366 4.556 0.000 0.000 0.266 1603 H C 1.543 176.846 175.328 -0.041 0.000 1.200 1603 H CA 0.155 56.206 56.048 0.005 0.000 1.135 1603 H CB -0.862 28.891 29.762 -0.014 0.000 1.282 1603 H HN 0.382 nan 8.280 nan 0.000 0.351 1604 R N 1.036 121.547 120.500 0.018 0.000 2.240 1604 R HA 0.158 4.498 4.340 -0.000 0.000 0.203 1604 R C 1.183 177.429 176.300 -0.089 0.000 1.011 1604 R CA 0.688 56.592 56.100 -0.326 0.000 1.007 1604 R CB 0.690 30.509 30.300 -0.801 0.000 0.911 1604 R HN 0.422 nan 8.270 nan 0.000 0.468 1605 G N -0.654 108.227 108.800 0.133 0.000 2.788 1605 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 1605 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 1605 G C 0.428 175.518 174.900 0.318 0.000 1.147 1605 G CA -0.483 44.756 45.100 0.231 0.000 0.755 1605 G HN 0.151 nan 8.290 nan 0.000 0.634 1606 A N 0.667 123.644 122.820 0.263 0.000 1.948 1606 A HA 0.255 4.575 4.320 -0.000 0.000 0.220 1606 A C 2.522 180.289 177.584 0.306 0.000 1.177 1606 A CA 2.623 54.823 52.037 0.272 0.000 0.636 1606 A CB -0.384 18.713 19.000 0.161 0.000 0.815 1606 A HN 2.382 nan 8.150 nan 0.000 0.449 1607 G N -3.151 105.847 108.800 0.329 0.000 3.434 1607 G HA2 0.199 4.159 3.960 -0.000 0.000 0.258 1607 G HA3 0.199 4.159 3.960 -0.000 0.000 0.258 1607 G C 0.936 176.245 174.900 0.681 0.000 1.128 1607 G CA 0.442 45.786 45.100 0.407 0.000 0.792 1607 G HN 0.442 nan 8.290 nan 0.000 0.539 1608 Y N 1.212 121.759 120.300 0.412 0.000 2.181 1608 Y HA -0.007 4.543 4.550 0.000 0.000 0.288 1608 Y C 1.261 177.220 175.900 0.098 0.000 1.146 1608 Y CA 0.511 58.726 58.100 0.191 0.000 1.164 1608 Y CB 0.021 38.471 38.460 -0.017 0.000 0.982 1608 Y HN -0.026 nan 8.280 nan 0.000 0.515 1609 V N 3.646 123.644 119.914 0.140 0.000 2.455 1609 V HA 0.041 4.161 4.120 -0.000 0.000 0.273 1609 V C 0.133 176.368 176.094 0.236 0.000 1.045 1609 V CA -0.546 61.806 62.300 0.086 0.000 0.976 1609 V CB 0.380 32.276 31.823 0.122 0.000 0.993 1609 V HN 0.104 nan 8.190 nan 0.000 0.475 1610 L N 6.978 128.309 121.223 0.180 0.000 2.380 1610 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 1610 L C 0.411 177.422 176.870 0.235 0.000 1.138 1610 L CA -0.023 54.973 54.840 0.260 0.000 0.832 1610 L CB 0.286 42.408 42.059 0.105 0.000 1.124 1610 L HN 0.629 nan 8.230 nan 0.000 0.454 1611 R N 1.030 121.590 120.500 0.099 0.000 2.771 1611 R HA 0.446 4.786 4.340 -0.000 0.000 0.274 1611 R C -0.539 175.651 176.300 -0.184 0.000 0.987 1611 R CA -0.761 55.160 56.100 -0.299 0.000 0.908 1611 R CB 1.978 32.029 30.300 -0.416 0.000 1.213 1611 R HN 0.749 nan 8.270 nan 0.000 0.468 1612 S N 0.411 115.884 115.700 -0.377 0.000 2.626 1612 S HA 0.077 4.547 4.470 -0.000 0.000 0.257 1612 S C 0.646 175.294 174.600 0.080 0.000 1.288 1612 S CA -0.523 57.696 58.200 0.031 0.000 0.980 1612 S CB 0.492 63.805 63.200 0.188 0.000 0.975 1612 S HN 0.579 nan 8.310 nan 0.000 0.577 1613 N N 1.322 120.106 118.700 0.140 0.000 2.244 1613 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 1613 N C 0.750 176.284 175.510 0.041 0.000 1.016 1613 N CA 1.156 54.260 53.050 0.090 0.000 0.866 1613 N CB -0.539 38.007 38.487 0.098 0.000 0.980 1613 N HN 0.639 nan 8.380 nan 0.000 0.430 1614 D N -0.600 119.820 120.400 0.033 0.000 2.363 1614 D HA 0.087 4.727 4.640 -0.000 0.000 0.226 1614 D C 1.139 177.418 176.300 -0.035 0.000 1.020 1614 D CA 0.634 54.634 54.000 0.000 0.000 0.892 1614 D CB 0.070 40.868 40.800 -0.004 0.000 0.900 1614 D HN 0.337 nan 8.370 nan 0.000 0.531 1615 G N 1.372 110.130 108.800 -0.070 0.000 2.157 1615 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 1615 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 1615 G C 0.328 175.087 174.900 -0.234 0.000 0.982 1615 G CA -0.145 44.864 45.100 -0.150 0.000 0.650 1615 G HN 0.347 nan 8.290 nan 0.000 0.527 1616 K N 0.394 120.702 120.400 -0.153 0.000 2.276 1616 K HA 0.512 4.832 4.320 -0.000 0.000 0.283 1616 K C -0.202 176.322 176.600 -0.127 0.000 1.044 1616 K CA -0.678 55.555 56.287 -0.090 0.000 0.944 1616 K CB 0.225 32.660 32.500 -0.107 0.000 1.012 1616 K HN 0.156 nan 8.250 nan 0.000 0.472 1617 Y N 3.112 123.456 120.300 0.074 0.000 2.377 1617 Y HA 0.039 4.589 4.550 -0.000 0.000 0.330 1617 Y C -0.027 175.923 175.900 0.083 0.000 1.108 1617 Y CA -0.031 58.120 58.100 0.084 0.000 1.308 1617 Y CB 0.333 38.978 38.460 0.308 0.000 1.216 1617 Y HN 0.428 nan 8.280 nan 0.000 0.518 1618 Y N 2.332 122.777 120.300 0.241 0.000 2.457 1618 Y HA 0.135 4.685 4.550 -0.000 0.000 0.341 1618 Y C 0.731 176.654 175.900 0.037 0.000 1.240 1618 Y CA -0.093 57.991 58.100 -0.027 0.000 1.437 1618 Y CB 0.396 38.662 38.460 -0.323 0.000 1.328 1618 Y HN 0.601 nan 8.280 nan 0.000 0.588 1619 N N 1.174 119.953 118.700 0.132 0.000 2.745 1619 N HA 0.176 4.916 4.740 -0.000 0.000 0.256 1619 N C -0.368 175.139 175.510 -0.005 0.000 1.268 1619 N CA -0.459 52.551 53.050 -0.066 0.000 0.887 1619 N CB 1.306 39.662 38.487 -0.219 0.000 1.575 1619 N HN 0.628 nan 8.380 nan 0.000 0.496 1620 L N 1.230 122.425 121.223 -0.047 0.000 2.478 1620 L HA 0.178 4.518 4.340 -0.000 0.000 0.223 1620 L C 1.496 178.374 176.870 0.014 0.000 1.140 1620 L CA 1.273 56.139 54.840 0.045 0.000 0.842 1620 L CB -0.350 41.727 42.059 0.029 0.000 0.953 1620 L HN 0.955 nan 8.230 nan 0.000 0.452 1621 G N -1.046 107.728 108.800 -0.044 0.000 2.211 1621 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.201 1621 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.201 1621 G C 0.837 175.704 174.900 -0.056 0.000 0.997 1621 G CA 0.372 45.444 45.100 -0.046 0.000 0.652 1621 G HN 0.171 nan 8.290 nan 0.000 0.500 1622 T N 0.597 115.104 114.554 -0.078 0.000 2.777 1622 T HA 0.072 4.422 4.350 -0.000 0.000 0.266 1622 T C 2.301 176.977 174.700 -0.039 0.000 1.040 1622 T CA 2.133 64.195 62.100 -0.064 0.000 1.141 1622 T CB -0.108 68.711 68.868 -0.082 0.000 0.868 1622 T HN 0.369 nan 8.240 nan 0.000 0.444 1623 S N -0.874 114.779 115.700 -0.079 0.000 2.589 1623 S HA 0.306 4.776 4.470 -0.000 0.000 0.235 1623 S C 0.586 175.196 174.600 0.016 0.000 1.051 1623 S CA -0.282 57.937 58.200 0.033 0.000 0.978 1623 S CB 1.020 64.313 63.200 0.155 0.000 0.929 1623 S HN 0.463 nan 8.310 nan 0.000 0.523 1624 T N 0.350 114.867 114.554 -0.063 0.000 2.665 1624 T HA 0.295 4.645 4.350 -0.000 0.000 0.303 1624 T C -1.873 172.823 174.700 -0.007 0.000 1.334 1624 T CA -0.553 61.546 62.100 -0.002 0.000 1.011 1624 T CB 1.247 70.156 68.868 0.068 0.000 1.573 1624 T HN 0.102 nan 8.240 nan 0.000 0.492 1625 Q N 1.579 121.394 119.800 0.025 0.000 2.304 1625 Q HA 0.021 4.361 4.340 -0.000 0.000 0.315 1625 Q C 0.039 176.078 176.000 0.065 0.000 1.075 1625 Q CA 0.378 56.196 55.803 0.025 0.000 0.988 1625 Q CB 0.347 29.092 28.738 0.012 0.000 1.146 1625 Q HN 0.542 nan 8.270 nan 0.000 0.383 1626 Q N 3.228 123.050 119.800 0.037 0.000 2.263 1626 Q HA 0.119 4.459 4.340 -0.000 0.000 0.289 1626 Q C -1.503 174.629 176.000 0.220 0.000 1.061 1626 Q CA 0.371 56.214 55.803 0.067 0.000 0.927 1626 Q CB 0.295 28.996 28.738 -0.062 0.000 1.154 1626 Q HN 0.509 nan 8.270 nan 0.000 0.378 1627 F N 5.789 125.787 119.950 0.081 0.000 2.683 1627 F HA 0.373 4.900 4.527 -0.000 0.000 0.333 1627 F C -2.371 173.580 175.800 0.251 0.000 1.160 1627 F CA -0.961 57.126 58.000 0.144 0.000 1.099 1627 F CB 0.887 39.953 39.000 0.112 0.000 1.344 1627 F HN 0.378 nan 8.300 nan 0.000 0.534 1628 L N 5.851 126.977 121.223 -0.161 0.000 2.333 1628 L HA 0.613 4.953 4.340 -0.000 0.000 0.263 1628 L C -2.410 174.034 176.870 -0.710 0.000 1.014 1628 L CA -2.244 52.304 54.840 -0.487 0.000 0.820 1628 L CB 1.972 43.838 42.059 -0.322 0.000 1.352 1628 L HN 0.382 nan 8.230 nan 0.000 0.421 1629 P HA -0.011 nan 4.420 nan 0.000 0.265 1629 P C 0.844 177.948 177.300 -0.327 0.000 1.187 1629 P CA 0.187 62.812 63.100 -0.791 0.000 0.766 1629 P CB 0.524 31.506 31.700 -1.197 0.000 0.820 1630 S N 1.863 117.519 115.700 -0.074 0.000 2.440 1630 S HA -0.259 4.211 4.470 -0.000 0.000 0.238 1630 S C 1.511 176.076 174.600 -0.059 0.000 1.010 1630 S CA 1.256 59.448 58.200 -0.014 0.000 0.972 1630 S CB -0.732 62.505 63.200 0.062 0.000 0.774 1630 S HN 0.362 nan 8.310 nan 0.000 0.501 1631 Q N 0.188 119.940 119.800 -0.079 0.000 2.297 1631 Q HA 0.277 4.617 4.340 -0.000 0.000 0.204 1631 Q C 1.529 177.430 176.000 -0.165 0.000 0.962 1631 Q CA 0.793 56.548 55.803 -0.080 0.000 0.879 1631 Q CB -0.281 28.428 28.738 -0.047 0.000 0.947 1631 Q HN 0.470 nan 8.270 nan 0.000 0.462 1632 L N -0.869 120.184 121.223 -0.283 0.000 2.585 1632 L HA 0.174 4.514 4.340 -0.000 0.000 0.226 1632 L C -0.002 176.726 176.870 -0.237 0.000 1.113 1632 L CA 0.359 54.991 54.840 -0.346 0.000 0.876 1632 L CB 0.491 42.193 42.059 -0.595 0.000 1.072 1632 L HN -0.136 nan 8.230 nan 0.000 0.468 1633 S N -0.742 114.871 115.700 -0.145 0.000 2.608 1633 S HA 0.545 5.015 4.470 -0.000 0.000 0.291 1633 S C -0.245 174.341 174.600 -0.023 0.000 1.146 1633 S CA -0.826 57.350 58.200 -0.040 0.000 1.043 1633 S CB 2.057 65.270 63.200 0.022 0.000 1.037 1633 S HN 0.021 nan 8.310 nan 0.000 0.520 1634 V N 0.992 120.915 119.914 0.015 0.000 2.637 1634 V HA 0.366 4.486 4.120 -0.000 0.000 0.296 1634 V C -0.231 175.856 176.094 -0.012 0.000 1.046 1634 V CA -0.365 61.931 62.300 -0.005 0.000 1.066 1634 V CB 0.147 31.978 31.823 0.013 0.000 0.968 1634 V HN 0.719 nan 8.190 nan 0.000 0.483 1635 Q N 2.122 121.896 119.800 -0.043 0.000 2.297 1635 Q HA 0.409 4.749 4.340 -0.000 0.000 0.268 1635 Q C -0.873 175.093 176.000 -0.056 0.000 1.045 1635 Q CA -0.634 55.130 55.803 -0.065 0.000 0.861 1635 Q CB 2.087 30.743 28.738 -0.136 0.000 1.344 1635 Q HN 0.995 nan 8.270 nan 0.000 0.452 1636 D N 0.310 120.684 120.400 -0.044 0.000 2.339 1636 D HA 0.064 4.704 4.640 -0.000 0.000 0.256 1636 D C 0.099 176.406 176.300 0.011 0.000 1.214 1636 D CA 0.253 54.252 54.000 -0.001 0.000 0.877 1636 D CB 0.294 41.112 40.800 0.029 0.000 1.111 1636 D HN 0.399 nan 8.370 nan 0.000 0.478 1637 N N 2.569 121.292 118.700 0.038 0.000 2.412 1637 N HA -0.036 4.704 4.740 -0.000 0.000 0.184 1637 N C -0.175 175.449 175.510 0.190 0.000 1.101 1637 N CA -0.178 52.931 53.050 0.098 0.000 0.881 1637 N CB 0.253 38.775 38.487 0.060 0.000 0.969 1637 N HN 0.453 nan 8.380 nan 0.000 0.459 1638 E N 0.679 120.958 120.200 0.131 0.000 2.652 1638 E HA -0.093 4.257 4.350 -0.000 0.000 0.255 1638 E C 1.135 177.747 176.600 0.020 0.000 0.952 1638 E CA 0.836 57.276 56.400 0.066 0.000 0.947 1638 E CB 0.390 30.108 29.700 0.030 0.000 0.912 1638 E HN 0.516 nan 8.360 nan 0.000 0.489 1639 G N 3.543 112.277 108.800 -0.111 0.000 2.189 1639 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 1639 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 1639 G C -0.190 174.382 174.900 -0.547 0.000 0.975 1639 G CA 0.582 45.452 45.100 -0.383 0.000 0.644 1639 G HN 0.484 nan 8.290 nan 0.000 0.537 1640 Y N 0.172 120.385 120.300 -0.145 0.000 2.446 1640 Y HA 0.548 5.098 4.550 -0.000 0.000 0.338 1640 Y C 1.181 177.012 175.900 -0.116 0.000 1.055 1640 Y CA 0.521 58.542 58.100 -0.131 0.000 1.101 1640 Y CB 1.794 40.196 38.460 -0.096 0.000 1.221 1640 Y HN 1.058 nan 8.280 nan 0.000 0.460 1641 G N 1.402 110.098 108.800 -0.172 0.000 2.525 1641 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 1641 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 1641 G C -0.949 173.846 174.900 -0.175 0.000 1.238 1641 G CA -0.776 44.133 45.100 -0.319 0.000 0.926 1641 G HN 0.447 nan 8.290 nan 0.000 0.574 1642 F N 0.584 120.703 119.950 0.282 0.000 2.471 1642 F HA 0.518 5.045 4.527 0.000 0.000 0.365 1642 F C 0.901 176.882 175.800 0.300 0.000 1.095 1642 F CA -0.116 58.061 58.000 0.294 0.000 1.174 1642 F CB 1.354 40.519 39.000 0.275 0.000 1.105 1642 F HN 0.290 nan 8.300 nan 0.000 0.535 1643 V N 4.267 124.444 119.914 0.439 0.000 2.577 1643 V HA 0.287 4.407 4.120 -0.000 0.000 0.303 1643 V C -0.238 175.929 176.094 0.120 0.000 1.042 1643 V CA -1.360 61.122 62.300 0.302 0.000 0.872 1643 V CB 1.961 33.952 31.823 0.278 0.000 0.998 1643 V HN 0.584 nan 8.190 nan 0.000 0.423 1644 K N 3.755 124.084 120.400 -0.119 0.000 2.234 1644 K HA 0.517 4.837 4.320 -0.000 0.000 0.282 1644 K C -0.516 175.917 176.600 -0.279 0.000 1.039 1644 K CA -0.186 55.753 56.287 -0.579 0.000 0.928 1644 K CB 0.721 32.750 32.500 -0.784 0.000 1.039 1644 K HN 0.768 nan 8.250 nan 0.000 0.470 1645 E N 3.084 123.098 120.200 -0.311 0.000 2.317 1645 E HA 0.254 4.604 4.350 -0.000 0.000 0.270 1645 E C -0.133 176.378 176.600 -0.147 0.000 0.899 1645 E CA -0.446 55.880 56.400 -0.123 0.000 0.814 1645 E CB 1.630 31.384 29.700 0.090 0.000 1.296 1645 E HN 0.936 nan 8.360 nan 0.000 0.404 1646 G N 3.941 112.672 108.800 -0.115 0.000 2.550 1646 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.277 1646 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.277 1646 G C 0.335 175.145 174.900 -0.150 0.000 1.190 1646 G CA 0.102 45.141 45.100 -0.101 0.000 0.971 1646 G HN 0.612 nan 8.290 nan 0.000 0.559 1647 N N 2.469 121.092 118.700 -0.128 0.000 2.314 1647 N HA 0.072 4.812 4.740 -0.000 0.000 0.200 1647 N C 0.064 175.467 175.510 -0.179 0.000 1.135 1647 N CA 0.264 53.236 53.050 -0.131 0.000 0.835 1647 N CB -0.077 38.364 38.487 -0.077 0.000 0.989 1647 N HN 0.414 nan 8.380 nan 0.000 0.478 1648 N N 0.053 118.586 118.700 -0.279 0.000 2.292 1648 N HA 0.259 4.999 4.740 -0.000 0.000 0.303 1648 N C -1.179 173.971 175.510 -0.600 0.000 1.140 1648 N CA -0.349 52.488 53.050 -0.355 0.000 0.788 1648 N CB 1.444 39.730 38.487 -0.333 0.000 1.361 1648 N HN -0.034 nan 8.380 nan 0.000 0.489 1649 Y N 0.593 120.626 120.300 -0.446 0.000 2.361 1649 Y HA 0.297 4.847 4.550 -0.000 0.000 0.332 1649 Y C 0.577 176.171 175.900 -0.510 0.000 1.101 1649 Y CA -0.278 57.545 58.100 -0.462 0.000 1.137 1649 Y CB 0.955 39.117 38.460 -0.497 0.000 1.207 1649 Y HN 0.374 nan 8.280 nan 0.000 0.463 1650 H N 1.354 120.452 119.070 0.046 0.000 2.797 1650 H HA 0.284 4.840 4.556 0.000 0.000 0.362 1650 H C -1.692 173.597 175.328 -0.065 0.000 1.183 1650 H CA -1.048 54.934 56.048 -0.109 0.000 1.197 1650 H CB 1.948 31.540 29.762 -0.285 0.000 1.835 1650 H HN 0.644 nan 8.280 nan 0.000 0.567 1651 Y N 1.019 121.161 120.300 -0.263 0.000 2.338 1651 Y HA 0.316 4.866 4.550 -0.000 0.000 0.333 1651 Y C -1.658 173.989 175.900 -0.421 0.000 0.968 1651 Y CA -0.794 57.062 58.100 -0.407 0.000 1.123 1651 Y CB 0.727 38.825 38.460 -0.602 0.000 1.165 1651 Y HN 0.416 nan 8.280 nan 0.000 0.452 1652 Y N 5.163 125.003 120.300 -0.766 0.000 2.328 1652 Y HA 0.266 4.816 4.550 -0.000 0.000 0.337 1652 Y C 0.292 175.772 175.900 -0.700 0.000 1.008 1652 Y CA -0.861 56.905 58.100 -0.558 0.000 1.129 1652 Y CB 0.841 39.048 38.460 -0.421 0.000 1.185 1652 Y HN 0.708 nan 8.280 nan 0.000 0.476 1653 D N 0.884 121.155 120.400 -0.215 0.000 2.398 1653 D HA -0.041 4.599 4.640 -0.000 0.000 0.264 1653 D C 1.099 177.464 176.300 0.108 0.000 1.263 1653 D CA -0.327 53.645 54.000 -0.047 0.000 1.037 1653 D CB 0.514 41.362 40.800 0.079 0.000 1.101 1653 D HN 0.562 nan 8.370 nan 0.000 0.551 1654 E N -0.195 120.085 120.200 0.132 0.000 2.267 1654 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 1654 E C 0.346 177.080 176.600 0.223 0.000 0.998 1654 E CA 0.901 57.389 56.400 0.146 0.000 0.830 1654 E CB -0.736 29.010 29.700 0.077 0.000 0.751 1654 E HN 0.406 nan 8.360 nan 0.000 0.491 1655 N N 1.179 119.984 118.700 0.174 0.000 2.314 1655 N HA 0.041 4.781 4.740 -0.000 0.000 0.200 1655 N C -0.134 175.450 175.510 0.123 0.000 1.135 1655 N CA 0.219 53.360 53.050 0.152 0.000 0.835 1655 N CB 0.201 38.739 38.487 0.085 0.000 0.989 1655 N HN 0.223 nan 8.380 nan 0.000 0.478 1656 K N 0.286 120.757 120.400 0.119 0.000 3.129 1656 K HA -0.168 4.152 4.320 -0.000 0.000 0.273 1656 K C -0.830 175.774 176.600 0.006 0.000 1.123 1656 K CA 0.608 56.780 56.287 -0.192 0.000 0.800 1656 K CB -0.566 31.670 32.500 -0.441 0.000 1.238 1656 K HN 0.176 nan 8.250 nan 0.000 0.492 1657 Q N 0.572 120.409 119.800 0.061 0.000 2.293 1657 Q HA 0.245 4.585 4.340 -0.000 0.000 0.261 1657 Q C 0.031 176.003 176.000 -0.047 0.000 0.960 1657 Q CA -0.416 55.412 55.803 0.042 0.000 0.882 1657 Q CB 1.672 30.416 28.738 0.010 0.000 1.275 1657 Q HN 0.369 nan 8.270 nan 0.000 0.445 1658 M N 2.514 122.012 119.600 -0.170 0.000 2.238 1658 M HA 0.103 4.583 4.480 -0.000 0.000 0.350 1658 M C -0.724 175.405 176.300 -0.285 0.000 1.321 1658 M CA -0.155 54.838 55.300 -0.513 0.000 1.097 1658 M CB 0.474 32.727 32.600 -0.578 0.000 1.713 1658 M HN 0.261 nan 8.290 nan 0.000 0.455 1659 V N 6.583 126.345 119.914 -0.254 0.000 2.498 1659 V HA 0.331 4.451 4.120 -0.000 0.000 0.279 1659 V C -0.134 175.855 176.094 -0.176 0.000 1.048 1659 V CA -0.194 62.033 62.300 -0.121 0.000 0.967 1659 V CB 1.236 33.076 31.823 0.027 0.000 0.988 1659 V HN 0.808 nan 8.190 nan 0.000 0.473 1660 K N 2.663 122.970 120.400 -0.155 0.000 2.422 1660 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 1660 K C -0.647 175.840 176.600 -0.187 0.000 0.933 1660 K CA -0.885 55.288 56.287 -0.191 0.000 0.798 1660 K CB 1.519 33.930 32.500 -0.148 0.000 1.238 1660 K HN 0.643 nan 8.250 nan 0.000 0.428 1661 D N 1.282 121.505 120.400 -0.295 0.000 2.812 1661 D HA -0.210 4.430 4.640 -0.000 0.000 0.237 1661 D C -1.719 174.508 176.300 -0.122 0.000 1.162 1661 D CA 1.218 55.094 54.000 -0.208 0.000 0.740 1661 D CB -0.565 40.222 40.800 -0.021 0.000 1.000 1661 D HN 0.737 nan 8.370 nan 0.000 0.416 1662 A N 1.015 123.648 122.820 -0.312 0.000 2.566 1662 A HA 0.624 4.944 4.320 -0.000 0.000 0.297 1662 A C -0.873 176.665 177.584 -0.076 0.000 1.059 1662 A CA -0.759 51.249 52.037 -0.048 0.000 0.691 1662 A CB 0.897 19.891 19.000 -0.010 0.000 1.282 1662 A HN 0.080 nan 8.150 nan 0.000 0.401 1663 F N 1.788 121.884 119.950 0.243 0.000 2.385 1663 F HA 0.657 5.184 4.527 -0.000 0.000 0.336 1663 F C 0.391 176.436 175.800 0.409 0.000 1.100 1663 F CA -0.210 58.018 58.000 0.381 0.000 1.116 1663 F CB 1.348 40.541 39.000 0.323 0.000 1.166 1663 F HN 0.276 nan 8.300 nan 0.000 0.511 1664 I N 2.627 123.564 120.570 0.612 0.000 2.569 1664 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 1664 I C -0.639 175.610 176.117 0.221 0.000 1.088 1664 I CA -0.729 60.734 61.300 0.271 0.000 1.047 1664 I CB 1.889 39.812 38.000 -0.128 0.000 1.237 1664 I HN 0.558 nan 8.210 nan 0.000 0.421 1665 Q N 3.879 123.494 119.800 -0.308 0.000 2.241 1665 Q HA 0.294 4.634 4.340 -0.000 0.000 0.254 1665 Q C -0.746 175.156 176.000 -0.164 0.000 0.917 1665 Q CA -0.645 54.732 55.803 -0.709 0.000 0.919 1665 Q CB 2.018 29.900 28.738 -1.427 0.000 1.237 1665 Q HN 0.694 nan 8.270 nan 0.000 0.434 1666 D N 0.503 120.901 120.400 -0.004 0.000 2.447 1666 D HA -0.005 4.635 4.640 -0.000 0.000 0.265 1666 D C 0.726 177.029 176.300 0.005 0.000 1.250 1666 D CA -0.135 53.912 54.000 0.079 0.000 1.046 1666 D CB 0.512 41.383 40.800 0.119 0.000 1.095 1666 D HN 0.463 nan 8.370 nan 0.000 0.555 1667 S N -1.425 114.297 115.700 0.037 0.000 2.555 1667 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 1667 S C 1.459 176.080 174.600 0.034 0.000 0.978 1667 S CA 0.515 58.740 58.200 0.040 0.000 0.934 1667 S CB -0.846 62.373 63.200 0.031 0.000 0.766 1667 S HN 0.610 nan 8.310 nan 0.000 0.533 1668 V N -3.292 116.629 119.914 0.011 0.000 3.319 1668 V HA 0.763 4.883 4.120 -0.000 0.000 0.317 1668 V C 1.290 177.384 176.094 -0.000 0.000 1.411 1668 V CA -0.077 62.231 62.300 0.013 0.000 1.112 1668 V CB -0.667 31.160 31.823 0.007 0.000 1.031 1668 V HN 0.616 nan 8.190 nan 0.000 0.448 1669 G N 0.678 109.454 108.800 -0.041 0.000 2.176 1669 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 1669 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 1669 G C -0.005 174.817 174.900 -0.129 0.000 0.986 1669 G CA 0.071 45.126 45.100 -0.074 0.000 0.643 1669 G HN 0.560 nan 8.290 nan 0.000 0.522 1670 N N -0.091 118.540 118.700 -0.115 0.000 2.503 1670 N HA 0.441 5.181 4.740 -0.000 0.000 0.267 1670 N C -0.481 174.851 175.510 -0.297 0.000 1.214 1670 N CA 0.381 53.336 53.050 -0.159 0.000 0.959 1670 N CB 0.561 38.937 38.487 -0.185 0.000 1.142 1670 N HN 0.348 nan 8.380 nan 0.000 0.455 1671 W N 0.969 122.157 121.300 -0.187 0.000 2.606 1671 W HA 0.412 5.072 4.660 -0.000 0.000 0.332 1671 W C -0.514 175.877 176.519 -0.214 0.000 1.052 1671 W CA -0.493 56.842 57.345 -0.015 0.000 1.223 1671 W CB 0.824 30.360 29.460 0.126 0.000 1.383 1671 W HN 0.384 nan 8.180 nan 0.000 0.524 1672 Y N 1.236 121.893 120.300 0.595 0.000 2.570 1672 Y HA 0.439 4.989 4.550 -0.000 0.000 0.345 1672 Y C -1.032 175.094 175.900 0.376 0.000 1.014 1672 Y CA -1.537 56.815 58.100 0.420 0.000 1.063 1672 Y CB 1.804 40.410 38.460 0.244 0.000 1.272 1672 Y HN 0.305 nan 8.280 nan 0.000 0.477 1673 Y N 2.671 122.940 120.300 -0.051 0.000 2.338 1673 Y HA 0.573 5.123 4.550 -0.000 0.000 0.333 1673 Y C -1.873 173.788 175.900 -0.397 0.000 0.968 1673 Y CA -1.296 56.502 58.100 -0.503 0.000 1.123 1673 Y CB 0.893 38.732 38.460 -1.035 0.000 1.165 1673 Y HN 0.427 nan 8.280 nan 0.000 0.452 1674 L N 6.791 127.502 121.223 -0.853 0.000 2.276 1674 L HA 0.222 4.562 4.340 -0.000 0.000 0.286 1674 L C 0.131 176.288 176.870 -1.188 0.000 1.061 1674 L CA -0.406 53.997 54.840 -0.728 0.000 0.807 1674 L CB 0.375 42.198 42.059 -0.393 0.000 1.177 1674 L HN 0.823 nan 8.230 nan 0.000 0.429 1675 D N 3.154 123.101 120.400 -0.756 0.000 2.414 1675 D HA 0.059 4.699 4.640 -0.000 0.000 0.259 1675 D C 0.639 176.764 176.300 -0.292 0.000 1.269 1675 D CA -0.283 53.423 54.000 -0.490 0.000 1.028 1675 D CB 0.841 41.570 40.800 -0.119 0.000 1.093 1675 D HN 0.379 nan 8.370 nan 0.000 0.545 1676 K N -1.023 119.307 120.400 -0.117 0.000 2.442 1676 K HA -0.026 4.294 4.320 -0.000 0.000 0.198 1676 K C 0.732 177.276 176.600 -0.094 0.000 1.042 1676 K CA 0.762 56.999 56.287 -0.084 0.000 0.958 1676 K CB -0.383 32.104 32.500 -0.021 0.000 0.766 1676 K HN 0.383 nan 8.250 nan 0.000 0.474 1677 N N -0.451 118.189 118.700 -0.099 0.000 2.280 1677 N HA 0.045 4.785 4.740 -0.000 0.000 0.192 1677 N C 0.607 176.041 175.510 -0.127 0.000 1.109 1677 N CA 0.349 53.342 53.050 -0.094 0.000 0.855 1677 N CB 1.259 39.711 38.487 -0.059 0.000 0.974 1677 N HN 0.250 nan 8.380 nan 0.000 0.482 1678 G N 0.341 109.044 108.800 -0.162 0.000 2.175 1678 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 1678 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 1678 G C -0.452 174.444 174.900 -0.007 0.000 0.982 1678 G CA -0.497 44.499 45.100 -0.173 0.000 0.641 1678 G HN 0.254 nan 8.290 nan 0.000 0.527 1679 N N 0.728 119.409 118.700 -0.030 0.000 2.444 1679 N HA 0.382 5.122 4.740 -0.000 0.000 0.271 1679 N C 0.588 176.014 175.510 -0.139 0.000 1.069 1679 N CA -0.249 52.787 53.050 -0.024 0.000 0.965 1679 N CB 1.166 39.632 38.487 -0.035 0.000 1.092 1679 N HN 0.519 nan 8.380 nan 0.000 0.476 1680 M N 2.294 121.815 119.600 -0.131 0.000 2.248 1680 M HA 0.033 4.513 4.480 -0.000 0.000 0.345 1680 M C -0.734 175.459 176.300 -0.178 0.000 1.243 1680 M CA -0.007 55.196 55.300 -0.162 0.000 1.090 1680 M CB 0.442 32.967 32.600 -0.125 0.000 1.683 1680 M HN 0.099 nan 8.290 nan 0.000 0.450 1681 V N 5.503 125.244 119.914 -0.287 0.000 2.465 1681 V HA 0.618 4.738 4.120 -0.000 0.000 0.279 1681 V C 0.423 176.400 176.094 -0.195 0.000 1.045 1681 V CA -0.005 62.122 62.300 -0.287 0.000 0.938 1681 V CB 0.922 32.457 31.823 -0.479 0.000 0.986 1681 V HN 0.958 nan 8.190 nan 0.000 0.467 1682 A N 3.866 126.659 122.820 -0.045 0.000 3.019 1682 A HA 0.302 4.622 4.320 -0.000 0.000 0.202 1682 A C 0.511 178.101 177.584 0.010 0.000 0.924 1682 A CA -0.248 51.810 52.037 0.035 0.000 1.156 1682 A CB -0.210 18.808 19.000 0.030 0.000 1.265 1682 A HN 0.769 nan 8.150 nan 0.000 0.526 1683 N N 0.144 118.850 118.700 0.011 0.000 2.184 1683 N HA 0.031 4.771 4.740 -0.000 0.000 0.206 1683 N C 0.436 175.879 175.510 -0.111 0.000 1.151 1683 N CA 0.455 53.478 53.050 -0.045 0.000 0.878 1683 N CB 0.037 38.504 38.487 -0.033 0.000 1.014 1683 N HN 0.567 nan 8.380 nan 0.000 0.512 1684 Q N 0.083 119.816 119.800 -0.112 0.000 2.460 1684 Q HA -0.169 4.171 4.340 -0.000 0.000 0.311 1684 Q C -1.371 174.456 176.000 -0.289 0.000 1.396 1684 Q CA 0.474 56.121 55.803 -0.261 0.000 0.838 1684 Q CB -1.606 26.881 28.738 -0.417 0.000 1.140 1684 Q HN 0.393 nan 8.270 nan 0.000 0.415 1685 S N 0.837 116.446 115.700 -0.151 0.000 2.546 1685 S HA 0.535 5.005 4.470 -0.000 0.000 0.272 1685 S C -2.680 171.896 174.600 -0.040 0.000 1.140 1685 S CA -0.981 57.149 58.200 -0.116 0.000 0.920 1685 S CB 2.071 65.227 63.200 -0.073 0.000 1.083 1685 S HN 0.137 nan 8.310 nan 0.000 0.476 1686 P HA 0.230 nan 4.420 nan 0.000 0.264 1686 P C -1.047 176.290 177.300 0.062 0.000 1.193 1686 P CA -0.159 62.958 63.100 0.029 0.000 0.763 1686 P CB 0.522 32.214 31.700 -0.012 0.000 0.810 1687 V N 3.116 123.108 119.914 0.130 0.000 2.760 1687 V HA 0.290 4.410 4.120 -0.000 0.000 0.309 1687 V C -0.848 175.352 176.094 0.176 0.000 1.077 1687 V CA -0.806 61.580 62.300 0.143 0.000 0.910 1687 V CB 2.184 34.118 31.823 0.184 0.000 1.008 1687 V HN 0.303 nan 8.190 nan 0.000 0.424 1688 E N 6.117 126.388 120.200 0.117 0.000 2.223 1688 E HA 0.520 4.870 4.350 -0.000 0.000 0.282 1688 E C -0.848 175.820 176.600 0.114 0.000 1.046 1688 E CA 0.151 56.625 56.400 0.123 0.000 0.857 1688 E CB 1.509 31.253 29.700 0.072 0.000 1.055 1688 E HN 0.612 nan 8.360 nan 0.000 0.409 1689 I N 1.126 121.808 120.570 0.188 0.000 2.619 1689 I HA 0.132 4.302 4.170 -0.000 0.000 0.292 1689 I C -0.055 176.162 176.117 0.166 0.000 1.100 1689 I CA -0.797 60.540 61.300 0.062 0.000 1.043 1689 I CB 2.224 40.054 38.000 -0.283 0.000 1.239 1689 I HN 0.222 nan 8.210 nan 0.000 0.420 1690 S N 2.594 118.360 115.700 0.110 0.000 2.475 1690 S HA 0.290 4.760 4.470 -0.000 0.000 0.281 1690 S C 0.861 175.558 174.600 0.162 0.000 1.198 1690 S CA -0.209 58.071 58.200 0.133 0.000 1.063 1690 S CB 0.975 64.232 63.200 0.095 0.000 0.972 1690 S HN 0.733 nan 8.310 nan 0.000 0.486 1691 S N 3.975 119.784 115.700 0.182 0.000 2.503 1691 S HA 0.298 4.768 4.470 -0.000 0.000 0.215 1691 S C 0.858 175.528 174.600 0.117 0.000 1.003 1691 S CA 0.094 58.407 58.200 0.189 0.000 0.910 1691 S CB -0.292 62.973 63.200 0.109 0.000 0.790 1691 S HN 0.826 nan 8.310 nan 0.000 0.514 1692 N N -0.771 117.982 118.700 0.089 0.000 2.532 1692 N HA 0.221 4.961 4.740 -0.000 0.000 0.324 1692 N C 0.783 176.324 175.510 0.051 0.000 0.609 1692 N CA 0.372 53.459 53.050 0.061 0.000 1.102 1692 N CB -0.257 38.254 38.487 0.040 0.000 2.059 1692 N HN 0.292 nan 8.380 nan 0.000 1.570 1693 G N 0.586 109.414 108.800 0.046 0.000 3.392 1693 G HA2 0.702 4.662 3.960 -0.000 0.000 0.188 1693 G HA3 0.702 4.662 3.960 -0.000 0.000 0.188 1693 G C -0.419 174.506 174.900 0.042 0.000 1.485 1693 G CA 0.259 45.382 45.100 0.037 0.000 0.943 1693 G HN 0.359 nan 8.290 nan 0.000 0.627 1694 A N -0.283 122.556 122.820 0.032 0.000 2.507 1694 A HA 0.478 4.798 4.320 -0.000 0.000 0.235 1694 A C 0.863 178.475 177.584 0.047 0.000 1.070 1694 A CA 0.256 52.312 52.037 0.032 0.000 0.768 1694 A CB -0.248 18.763 19.000 0.018 0.000 1.011 1694 A HN 0.596 nan 8.150 nan 0.000 0.502 1695 S N -0.088 115.643 115.700 0.052 0.000 2.585 1695 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 1695 S C 0.672 175.309 174.600 0.061 0.000 1.339 1695 S CA 0.186 58.434 58.200 0.081 0.000 1.028 1695 S CB 1.032 64.276 63.200 0.073 0.000 0.906 1695 S HN 1.167 nan 8.310 nan 0.000 0.528 1696 G N 0.596 109.462 108.800 0.109 0.000 2.511 1696 G HA2 0.564 4.524 3.960 -0.000 0.000 0.318 1696 G HA3 0.564 4.524 3.960 -0.000 0.000 0.318 1696 G C -1.049 173.812 174.900 -0.066 0.000 1.210 1696 G CA -0.608 44.455 45.100 -0.062 0.000 0.969 1696 G HN 0.560 nan 8.290 nan 0.000 0.484 1697 T N 1.109 115.535 114.554 -0.214 0.000 2.749 1697 T HA 0.492 4.842 4.350 -0.000 0.000 0.287 1697 T C -1.080 173.547 174.700 -0.122 0.000 0.970 1697 T CA 0.211 62.265 62.100 -0.077 0.000 0.980 1697 T CB 0.355 69.175 68.868 -0.080 0.000 0.924 1697 T HN 0.330 nan 8.240 nan 0.000 0.456 1698 Y N 1.759 122.115 120.300 0.094 0.000 2.587 1698 Y HA 0.770 5.320 4.550 -0.000 0.000 0.337 1698 Y C -0.183 175.606 175.900 -0.185 0.000 1.065 1698 Y CA -1.361 56.711 58.100 -0.046 0.000 1.126 1698 Y CB 1.765 40.131 38.460 -0.157 0.000 1.279 1698 Y HN 0.473 nan 8.280 nan 0.000 0.489 1699 L N 1.779 122.734 121.223 -0.447 0.000 2.493 1699 L HA 0.600 4.940 4.340 -0.000 0.000 0.265 1699 L C -2.177 174.324 176.870 -0.614 0.000 0.954 1699 L CA -0.382 54.177 54.840 -0.469 0.000 0.844 1699 L CB 1.183 42.833 42.059 -0.683 0.000 1.302 1699 L HN 0.515 nan 8.230 nan 0.000 0.405 1700 F N 4.819 124.715 119.950 -0.090 0.000 2.467 1700 F HA 0.511 5.038 4.527 -0.000 0.000 0.336 1700 F C 0.154 175.880 175.800 -0.124 0.000 1.123 1700 F CA -0.604 57.363 58.000 -0.056 0.000 0.964 1700 F CB 1.583 40.587 39.000 0.007 0.000 1.136 1700 F HN 0.240 nan 8.300 nan 0.000 0.447 1701 L N 2.087 123.314 121.223 0.005 0.000 2.468 1701 L HA 0.117 4.457 4.340 -0.000 0.000 0.253 1701 L C 1.240 178.091 176.870 -0.031 0.000 1.237 1701 L CA -0.179 54.597 54.840 -0.107 0.000 0.823 1701 L CB 0.296 42.234 42.059 -0.200 0.000 1.124 1701 L HN 0.612 nan 8.230 nan 0.000 0.504 1702 N N 0.597 119.254 118.700 -0.071 0.000 2.443 1702 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 1702 N C 0.962 176.493 175.510 0.035 0.000 1.037 1702 N CA 0.706 53.742 53.050 -0.024 0.000 0.896 1702 N CB -0.174 38.288 38.487 -0.041 0.000 0.959 1702 N HN 0.565 nan 8.380 nan 0.000 0.442 1703 N N -0.878 117.848 118.700 0.043 0.000 2.314 1703 N HA 0.141 4.881 4.740 -0.000 0.000 0.200 1703 N C 1.053 176.716 175.510 0.254 0.000 1.135 1703 N CA 0.599 53.723 53.050 0.124 0.000 0.835 1703 N CB -0.043 38.483 38.487 0.066 0.000 0.989 1703 N HN 0.101 nan 8.380 nan 0.000 0.478 1704 G N -0.334 108.583 108.800 0.196 0.000 2.234 1704 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 1704 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 1704 G C 0.272 175.344 174.900 0.287 0.000 0.987 1704 G CA 0.699 45.968 45.100 0.283 0.000 0.625 1704 G HN 0.821 nan 8.290 nan 0.000 0.532 1705 T N -0.607 114.004 114.554 0.095 0.000 2.919 1705 T HA 0.541 4.891 4.350 -0.000 0.000 0.302 1705 T C 0.580 175.319 174.700 0.065 0.000 1.031 1705 T CA 0.642 62.654 62.100 -0.147 0.000 1.127 1705 T CB 1.776 70.536 68.868 -0.179 0.000 0.952 1705 T HN 1.309 nan 8.240 nan 0.000 0.540 1706 S N 3.007 118.763 115.700 0.092 0.000 2.488 1706 S HA 0.225 4.695 4.470 -0.000 0.000 0.278 1706 S C -0.308 174.224 174.600 -0.112 0.000 1.259 1706 S CA -0.950 57.188 58.200 -0.104 0.000 1.061 1706 S CB -0.746 62.490 63.200 0.060 0.000 0.910 1706 S HN 0.596 nan 8.310 nan 0.000 0.491 1707 F N 7.448 127.180 119.950 -0.363 0.000 2.506 1707 F HA 0.411 4.938 4.527 -0.000 0.000 0.371 1707 F C 0.634 176.281 175.800 -0.255 0.000 1.078 1707 F CA -0.188 57.626 58.000 -0.311 0.000 1.195 1707 F CB 0.334 39.067 39.000 -0.445 0.000 1.099 1707 F HN 0.711 nan 8.300 nan 0.000 0.548 1708 R N 2.684 122.794 120.500 -0.649 0.000 2.698 1708 R HA 0.556 4.896 4.340 -0.000 0.000 0.275 1708 R C -0.693 175.299 176.300 -0.513 0.000 1.001 1708 R CA -0.778 55.044 56.100 -0.464 0.000 0.896 1708 R CB 1.333 31.506 30.300 -0.211 0.000 1.218 1708 R HN 0.541 nan 8.270 nan 0.000 0.462 1709 S N -0.826 114.639 115.700 -0.392 0.000 3.711 1709 S HA -0.108 4.362 4.470 -0.000 0.000 0.374 1709 S C -0.085 174.409 174.600 -0.178 0.000 0.969 1709 S CA 0.837 58.916 58.200 -0.201 0.000 1.198 1709 S CB -1.388 61.791 63.200 -0.035 0.000 0.903 1709 S HN 1.189 nan 8.310 nan 0.000 0.493 1710 G N -0.475 108.122 108.800 -0.339 0.000 2.576 1710 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 1710 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 1710 G C -1.130 174.011 174.900 0.402 0.000 1.442 1710 G CA -1.084 44.050 45.100 0.057 0.000 0.792 1710 G HN 0.318 nan 8.290 nan 0.000 0.491 1711 L N -0.023 121.547 121.223 0.579 0.000 2.379 1711 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 1711 L C -0.227 177.028 176.870 0.641 0.000 1.084 1711 L CA -1.068 54.089 54.840 0.529 0.000 0.802 1711 L CB 1.797 43.991 42.059 0.225 0.000 1.175 1711 L HN 0.211 nan 8.230 nan 0.000 0.448 1712 V N 2.360 122.547 119.914 0.455 0.000 2.407 1712 V HA 0.280 4.400 4.120 -0.000 0.000 0.291 1712 V C -0.179 176.124 176.094 0.348 0.000 1.018 1712 V CA -0.761 61.701 62.300 0.269 0.000 0.842 1712 V CB 1.519 33.446 31.823 0.174 0.000 0.996 1712 V HN 0.638 nan 8.190 nan 0.000 0.426 1713 K N 3.835 124.403 120.400 0.279 0.000 2.263 1713 K HA 0.648 4.968 4.320 -0.000 0.000 0.272 1713 K C -0.005 176.680 176.600 0.141 0.000 1.033 1713 K CA -0.206 56.222 56.287 0.235 0.000 0.884 1713 K CB 1.271 33.955 32.500 0.308 0.000 1.107 1713 K HN 0.851 nan 8.250 nan 0.000 0.460 1714 T N 0.139 114.804 114.554 0.185 0.000 2.942 1714 T HA 0.230 4.580 4.350 -0.000 0.000 0.289 1714 T C 0.490 175.230 174.700 0.067 0.000 1.044 1714 T CA -0.777 61.402 62.100 0.132 0.000 1.023 1714 T CB 1.317 70.387 68.868 0.337 0.000 1.123 1714 T HN 0.470 nan 8.240 nan 0.000 0.512 1715 D N 0.906 121.311 120.400 0.009 0.000 2.265 1715 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 1715 D C 1.836 178.171 176.300 0.058 0.000 0.977 1715 D CA 1.467 55.476 54.000 0.015 0.000 0.871 1715 D CB -0.343 40.453 40.800 -0.006 0.000 0.925 1715 D HN 0.757 nan 8.370 nan 0.000 0.485 1716 A N -0.465 122.422 122.820 0.111 0.000 2.308 1716 A HA 0.560 4.880 4.320 -0.000 0.000 0.217 1716 A C 1.020 178.673 177.584 0.114 0.000 1.216 1716 A CA 0.771 52.881 52.037 0.122 0.000 0.864 1716 A CB 0.299 19.392 19.000 0.156 0.000 0.902 1716 A HN 0.267 nan 8.150 nan 0.000 0.499 1717 G N -2.258 106.590 108.800 0.080 0.000 2.353 1717 G HA2 0.374 4.333 3.960 -0.000 0.000 0.308 1717 G HA3 0.374 4.333 3.960 -0.000 0.000 0.308 1717 G C -0.902 173.895 174.900 -0.172 0.000 1.418 1717 G CA -0.264 44.774 45.100 -0.104 0.000 0.966 1717 G HN 0.274 nan 8.290 nan 0.000 0.638 1718 T N 0.626 114.957 114.554 -0.372 0.000 2.829 1718 T HA 0.728 5.078 4.350 -0.000 0.000 0.280 1718 T C -1.103 173.296 174.700 -0.502 0.000 0.999 1718 T CA -0.099 61.873 62.100 -0.214 0.000 0.983 1718 T CB 1.142 69.970 68.868 -0.066 0.000 0.968 1718 T HN 0.442 nan 8.240 nan 0.000 0.446 1719 Y N 0.764 121.125 120.300 0.101 0.000 2.570 1719 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 1719 Y C -0.762 175.211 175.900 0.121 0.000 1.014 1719 Y CA -1.328 56.805 58.100 0.055 0.000 1.063 1719 Y CB 1.565 40.030 38.460 0.007 0.000 1.272 1719 Y HN 0.654 nan 8.280 nan 0.000 0.477 1720 Y N 1.290 121.613 120.300 0.038 0.000 2.361 1720 Y HA 0.548 5.098 4.550 -0.000 0.000 0.337 1720 Y C -1.940 173.928 175.900 -0.052 0.000 0.965 1720 Y CA -1.622 56.501 58.100 0.037 0.000 1.091 1720 Y CB 0.862 39.279 38.460 -0.072 0.000 1.182 1720 Y HN 0.562 nan 8.280 nan 0.000 0.450 1721 Y N 5.048 124.973 120.300 -0.626 0.000 2.341 1721 Y HA 0.285 4.835 4.550 -0.000 0.000 0.337 1721 Y C 0.193 175.570 175.900 -0.871 0.000 1.014 1721 Y CA -0.836 56.955 58.100 -0.515 0.000 1.111 1721 Y CB 1.041 39.391 38.460 -0.183 0.000 1.194 1721 Y HN 0.724 nan 8.280 nan 0.000 0.462 1722 D N 0.523 120.712 120.400 -0.353 0.000 2.478 1722 D HA 0.159 4.799 4.640 -0.000 0.000 0.274 1722 D C 1.497 177.712 176.300 -0.140 0.000 1.234 1722 D CA -0.391 53.506 54.000 -0.172 0.000 1.069 1722 D CB 0.189 41.007 40.800 0.030 0.000 1.113 1722 D HN 0.617 nan 8.370 nan 0.000 0.571 1723 G N -1.391 107.381 108.800 -0.047 0.000 2.509 1723 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 1723 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 1723 G C 0.673 175.514 174.900 -0.097 0.000 1.124 1723 G CA 0.372 45.441 45.100 -0.052 0.000 0.776 1723 G HN 0.498 nan 8.290 nan 0.000 0.547 1724 D N 0.037 120.358 120.400 -0.132 0.000 2.339 1724 D HA 0.161 4.801 4.640 -0.000 0.000 0.217 1724 D C 1.915 178.096 176.300 -0.198 0.000 1.050 1724 D CA 0.758 54.637 54.000 -0.201 0.000 0.856 1724 D CB 0.305 40.991 40.800 -0.190 0.000 0.922 1724 D HN 0.356 nan 8.370 nan 0.000 0.518 1725 G N 1.708 110.406 108.800 -0.169 0.000 2.157 1725 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 1725 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 1725 G C 0.254 175.010 174.900 -0.240 0.000 0.979 1725 G CA -0.339 44.685 45.100 -0.127 0.000 0.650 1725 G HN 0.280 nan 8.290 nan 0.000 0.529 1726 R N -0.153 120.144 120.500 -0.339 0.000 2.346 1726 R HA 0.614 4.954 4.340 -0.000 0.000 0.311 1726 R C 0.854 176.971 176.300 -0.305 0.000 0.983 1726 R CA -0.785 55.032 56.100 -0.472 0.000 0.880 1726 R CB 1.195 31.207 30.300 -0.480 0.000 1.100 1726 R HN 0.364 nan 8.270 nan 0.000 0.453 1727 M N 2.810 122.156 119.600 -0.423 0.000 2.250 1727 M HA 0.028 4.508 4.480 -0.000 0.000 0.337 1727 M C -0.784 175.348 176.300 -0.279 0.000 1.161 1727 M CA 0.343 55.264 55.300 -0.632 0.000 1.088 1727 M CB 0.593 32.798 32.600 -0.660 0.000 1.639 1727 M HN 0.295 nan 8.290 nan 0.000 0.447 1728 V N 6.535 126.358 119.914 -0.152 0.000 2.427 1728 V HA 0.505 4.625 4.120 -0.000 0.000 0.286 1728 V C -0.135 175.959 176.094 0.001 0.000 1.034 1728 V CA -0.484 61.812 62.300 -0.005 0.000 0.893 1728 V CB 1.506 33.430 31.823 0.168 0.000 0.982 1728 V HN 0.882 nan 8.190 nan 0.000 0.452 1729 R N 3.267 123.764 120.500 -0.006 0.000 2.750 1729 R HA 0.469 4.809 4.340 -0.000 0.000 0.281 1729 R C -0.014 176.290 176.300 0.006 0.000 0.972 1729 R CA -0.954 55.149 56.100 0.005 0.000 0.912 1729 R CB 1.008 31.306 30.300 -0.003 0.000 1.187 1729 R HN 0.695 nan 8.270 nan 0.000 0.464 1730 N N 1.919 120.624 118.700 0.008 0.000 2.738 1730 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 1730 N C -1.570 173.941 175.510 0.002 0.000 1.047 1730 N CA 1.519 54.571 53.050 0.004 0.000 0.707 1730 N CB -0.492 37.997 38.487 0.002 0.000 0.937 1730 N HN 0.746 nan 8.380 nan 0.000 0.545 1731 Q N -2.979 116.823 119.800 0.003 0.000 2.829 1731 Q HA 0.439 4.779 4.340 -0.000 0.000 0.296 1731 Q C -1.490 174.507 176.000 -0.005 0.000 0.893 1731 Q CA -1.045 54.757 55.803 -0.001 0.000 0.772 1731 Q CB 0.477 29.215 28.738 0.001 0.000 1.489 1731 Q HN 0.039 nan 8.270 nan 0.000 0.420 1732 T N 1.294 115.839 114.554 -0.016 0.000 2.794 1732 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 1732 T C -0.348 174.324 174.700 -0.046 0.000 0.987 1732 T CA -0.383 61.698 62.100 -0.031 0.000 0.993 1732 T CB 1.263 70.108 68.868 -0.038 0.000 0.939 1732 T HN 0.591 nan 8.240 nan 0.000 0.449 1733 V N 0.455 120.322 119.914 -0.078 0.000 3.102 1733 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 1733 V C -0.548 175.428 176.094 -0.197 0.000 1.135 1733 V CA -0.977 61.259 62.300 -0.107 0.000 1.022 1733 V CB 2.287 34.060 31.823 -0.084 0.000 1.056 1733 V HN 0.775 nan 8.190 nan 0.000 0.436 1734 S N 1.522 117.124 115.700 -0.163 0.000 2.482 1734 S HA 0.656 5.126 4.470 -0.000 0.000 0.303 1734 S C -1.060 173.456 174.600 -0.140 0.000 1.091 1734 S CA -0.353 57.726 58.200 -0.201 0.000 1.057 1734 S CB 1.429 64.549 63.200 -0.134 0.000 1.031 1734 S HN 0.976 nan 8.310 nan 0.000 0.485 1735 D N 1.421 121.717 120.400 -0.172 0.000 2.375 1735 D HA 0.485 5.125 4.640 -0.000 0.000 0.259 1735 D C 0.928 177.207 176.300 -0.035 0.000 1.235 1735 D CA 0.555 54.543 54.000 -0.019 0.000 0.924 1735 D CB 0.446 41.324 40.800 0.131 0.000 1.143 1735 D HN 0.732 nan 8.370 nan 0.000 0.529 1736 G N 3.162 111.947 108.800 -0.025 0.000 2.596 1736 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.304 1736 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.304 1736 G C 1.147 176.008 174.900 -0.065 0.000 1.189 1736 G CA 0.803 45.887 45.100 -0.027 0.000 0.986 1736 G HN 0.929 nan 8.290 nan 0.000 0.548 1737 A N -0.552 122.230 122.820 -0.064 0.000 2.206 1737 A HA 0.532 4.852 4.320 -0.000 0.000 0.211 1737 A C 1.275 178.771 177.584 -0.146 0.000 1.158 1737 A CA 1.590 53.577 52.037 -0.083 0.000 0.761 1737 A CB -0.173 18.794 19.000 -0.054 0.000 0.801 1737 A HN 0.490 nan 8.150 nan 0.000 0.473 1738 M N 0.409 119.878 119.600 -0.219 0.000 2.264 1738 M HA 0.362 4.842 4.480 -0.000 0.000 0.352 1738 M C -0.729 175.207 176.300 -0.606 0.000 1.173 1738 M CA 0.190 55.229 55.300 -0.436 0.000 1.075 1738 M CB 0.909 33.182 32.600 -0.545 0.000 1.621 1738 M HN -0.027 nan 8.290 nan 0.000 0.457 1739 T N 3.710 117.896 114.554 -0.613 0.000 2.792 1739 T HA 0.641 4.991 4.350 -0.000 0.000 0.280 1739 T C -1.263 173.100 174.700 -0.562 0.000 0.990 1739 T CA -0.295 61.492 62.100 -0.521 0.000 0.960 1739 T CB 0.633 69.347 68.868 -0.258 0.000 0.939 1739 T HN 0.283 nan 8.240 nan 0.000 0.439 1740 Y N 1.274 121.455 120.300 -0.198 0.000 2.409 1740 Y HA 0.579 5.129 4.550 -0.000 0.000 0.343 1740 Y C -0.171 175.639 175.900 -0.150 0.000 0.973 1740 Y CA -1.363 56.621 58.100 -0.194 0.000 1.064 1740 Y CB 1.381 39.654 38.460 -0.312 0.000 1.207 1740 Y HN 0.279 nan 8.280 nan 0.000 0.452 1741 V N 5.433 125.386 119.914 0.066 0.000 2.370 1741 V HA 0.453 4.573 4.120 -0.000 0.000 0.283 1741 V C -0.452 175.649 176.094 0.012 0.000 1.023 1741 V CA -0.746 61.564 62.300 0.017 0.000 0.857 1741 V CB 1.039 32.862 31.823 -0.000 0.000 0.985 1741 V HN 0.543 nan 8.190 nan 0.000 0.443 1742 L N 5.179 126.406 121.223 0.007 0.000 2.322 1742 L HA 0.579 4.919 4.340 -0.000 0.000 0.281 1742 L C 0.183 177.052 176.870 -0.001 0.000 1.014 1742 L CA -0.587 54.254 54.840 0.001 0.000 0.815 1742 L CB 1.710 43.785 42.059 0.025 0.000 1.247 1742 L HN 0.745 nan 8.230 nan 0.000 0.421 1743 D N 0.891 121.285 120.400 -0.010 0.000 2.425 1743 D HA 0.045 4.685 4.640 -0.000 0.000 0.274 1743 D C 0.540 176.846 176.300 0.011 0.000 1.242 1743 D CA -0.292 53.706 54.000 -0.002 0.000 1.060 1743 D CB 0.571 41.366 40.800 -0.008 0.000 1.112 1743 D HN 0.547 nan 8.370 nan 0.000 0.561 1744 E N -1.396 118.812 120.200 0.013 0.000 2.427 1744 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 1744 E C 0.731 177.349 176.600 0.030 0.000 1.028 1744 E CA 0.264 56.675 56.400 0.017 0.000 0.864 1744 E CB -0.059 29.649 29.700 0.013 0.000 0.813 1744 E HN 0.307 nan 8.360 nan 0.000 0.514 1745 N N -0.248 118.480 118.700 0.047 0.000 2.280 1745 N HA 0.026 4.766 4.740 -0.000 0.000 0.192 1745 N C 0.981 176.583 175.510 0.154 0.000 1.109 1745 N CA 0.816 53.919 53.050 0.088 0.000 0.855 1745 N CB 1.376 39.925 38.487 0.104 0.000 0.974 1745 N HN 0.267 nan 8.380 nan 0.000 0.482 1746 G N 0.937 109.798 108.800 0.101 0.000 2.176 1746 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.253 1746 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.253 1746 G C 0.037 174.950 174.900 0.022 0.000 0.979 1746 G CA -0.106 45.074 45.100 0.134 0.000 0.641 1746 G HN 0.289 nan 8.290 nan 0.000 0.530 1747 K N 0.154 120.497 120.400 -0.095 0.000 2.368 1747 K HA 0.409 4.729 4.320 -0.000 0.000 0.282 1747 K C 0.440 176.925 176.600 -0.192 0.000 1.035 1747 K CA -0.747 55.345 56.287 -0.325 0.000 0.973 1747 K CB 1.282 33.645 32.500 -0.228 0.000 0.957 1747 K HN 0.180 nan 8.250 nan 0.000 0.474 1748 L N 4.627 125.715 121.223 -0.226 0.000 2.534 1748 L HA -0.067 4.273 4.340 -0.000 0.000 0.271 1748 L C 0.651 177.474 176.870 -0.077 0.000 1.178 1748 L CA 0.599 55.368 54.840 -0.119 0.000 0.907 1748 L CB 0.777 42.759 42.059 -0.128 0.000 1.164 1748 L HN 0.532 nan 8.230 nan 0.000 0.482 1749 V N 3.098 122.989 119.914 -0.039 0.000 2.825 1749 V HA 0.203 4.323 4.120 -0.000 0.000 0.246 1749 V C 0.762 176.849 176.094 -0.012 0.000 1.068 1749 V CA 1.109 63.394 62.300 -0.026 0.000 1.088 1749 V CB -0.349 31.463 31.823 -0.018 0.000 0.733 1749 V HN 0.976 nan 8.190 nan 0.000 0.468 1750 S N -0.368 115.335 115.700 0.005 0.000 2.611 1750 S HA 0.551 5.021 4.470 -0.000 0.000 0.270 1750 S C -1.227 173.408 174.600 0.060 0.000 1.131 1750 S CA -0.828 57.382 58.200 0.018 0.000 0.826 1750 S CB 2.155 65.357 63.200 0.003 0.000 1.095 1750 S HN 0.523 nan 8.310 nan 0.000 0.461 1751 E N 0.000 120.238 120.200 0.064 0.000 2.725 1751 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1751 E CA 0.000 56.461 56.400 0.101 0.000 0.976 1751 E CB 0.000 29.852 29.700 0.253 0.000 0.812 1751 E HN 0.000 nan 8.360 nan 0.000 0.440