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 1hqm_1_D DATA FIRST_RESID 2 DATA SEQUENCE ?????????A LASPEKIR?? ?????????? ?????????? ?????XXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXEGK VCERCGVEVT RSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLFAT ELEQVLYFNK YIVLDPKGAV LDGVPVEKRQ DATA SEQUENCE LLTDXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE IDARMGAEAI QELLKELDLE KLERELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDXXXXXXXX XXXXATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAV IDNGRRGSPV TNPGSERPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKAFAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGMAFATPEE ALAAYERGEV ALNAPIVVAG RETSVGRLKF VFANPDEALL DATA SEQUENCE AVAHGLLDLQ DTVTTRYLGR RLETNPGRIL FARIVGEAVG DEKVAQELIQ DATA SEQUENCE MDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTL STTSGIITIG DATA SEQUENCE IDDAVIPEEK QRYLEEADRK LRQIEQAYEM GFLTDRERYD QVIQLWTETT DATA SEQUENCE EKVTQAVFNN FEENYPFNPL YVMAQSGARG NPQQIRQLCG MRGLMQKPSG DATA SEQUENCE ETFEVPVRSS FREGLTVLEY FISSHGARKG GADTALRTAD SGYLTRKLVD DATA SEQUENCE VAHEIVVREA DCGTTKYISV PLFQMDEVTR TLRLRKRSDI ESGLYGRVLA DATA SEQUENCE REVEALGRRL EEGRYLSLED VHFLIKAAEA GEVREVPVRS PLTCQTRYGV DATA SEQUENCE CQKCYGYDLS MARPVSIGEA VGVVAAESIG EPGTQLTMRT XXXXXXXXGT DATA SEQUENCE DITQGLPRVI ELFEARRPKA KAVISEIDGV VRIEEGEDRL SVFVESEGFS DATA SEQUENCE KEYKLPKDAR LLVKDGDYVE AGQPLTRGAI DPHQLLEAKG PEAVERYLVD DATA SEQUENCE EIQKVYRAQG VKLHDKHIEI VVRQMLKYVE VTDPGDSPLL EGQVLEKWDV DATA SEQUENCE EALNERLIAX XXVPVAWKPL LMGVTKSALS TKSWLSAASF QNTTHVLTEA DATA SEQUENCE AIAGKKDELI GLKENVILGR LIPAGTGSDF VRFTQVVDQR TLKAIE 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 2 ? HA 0.000 nan 9999.000 nan 0.000 0.000 2 ? C 0.000 9999.000 9999.000 -0.000 0.000 0.000 2 ? CA 0.000 9999.000 9999.000 -0.000 0.000 0.000 2 ? CB 0.000 9999.000 9999.000 -0.000 0.000 0.000 12 L N -1.985 119.208 121.223 -0.050 0.000 2.362 12 L HA 0.650 4.990 4.340 -0.000 0.000 0.275 12 L C 0.296 177.169 176.870 0.006 0.000 0.998 12 L CA 0.331 55.158 54.840 -0.021 0.000 0.820 12 L CB 1.135 43.192 42.059 -0.004 0.000 1.270 12 L HN 0.998 nan 8.230 nan 0.000 0.415 13 A N 3.228 126.061 122.820 0.023 0.000 2.309 13 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 13 A C 0.139 177.746 177.584 0.038 0.000 1.206 13 A CA -0.224 51.830 52.037 0.028 0.000 0.850 13 A CB -0.065 18.954 19.000 0.031 0.000 1.118 13 A HN 0.729 nan 8.150 nan 0.000 0.523 14 S N 4.679 120.393 115.700 0.024 0.000 2.549 14 S HA 0.228 4.698 4.470 -0.000 0.000 0.279 14 S C -1.208 173.403 174.600 0.019 0.000 1.321 14 S CA -0.616 57.596 58.200 0.020 0.000 1.054 14 S CB 0.724 63.929 63.200 0.008 0.000 0.899 14 S HN 0.709 nan 8.310 nan 0.000 0.497 15 P HA -0.094 nan 4.420 nan 0.000 0.223 15 P C 0.778 178.082 177.300 0.007 0.000 1.144 15 P CA 1.248 64.357 63.100 0.015 0.000 0.783 15 P CB 0.103 31.808 31.700 0.008 0.000 0.771 16 E N -0.060 120.143 120.200 0.004 0.000 2.415 16 E HA 0.114 4.463 4.350 -0.000 0.000 0.197 16 E C 2.119 178.721 176.600 0.003 0.000 1.007 16 E CA 1.059 57.460 56.400 0.001 0.000 0.890 16 E CB -0.932 28.766 29.700 -0.002 0.000 0.891 16 E HN 0.378 nan 8.360 nan 0.000 0.496 17 K N 0.735 121.138 120.400 0.006 0.000 1.980 17 K HA 0.147 4.467 4.320 -0.000 0.000 0.208 17 K C 2.202 178.806 176.600 0.007 0.000 1.043 17 K CA 1.198 57.489 56.287 0.007 0.000 0.938 17 K CB -0.915 31.591 32.500 0.010 0.000 0.724 17 K HN 0.270 nan 8.250 nan 0.000 0.438 18 I N 1.313 121.889 120.570 0.010 0.000 2.147 18 I HA -0.347 3.822 4.170 -0.000 0.000 0.245 18 I C 2.302 178.419 176.117 0.000 0.000 1.059 18 I CA 1.755 63.060 61.300 0.008 0.000 1.320 18 I CB -0.439 37.568 38.000 0.012 0.000 1.021 18 I HN 0.358 nan 8.210 nan 0.000 0.415 70 G N -1.061 107.739 108.800 0.000 0.000 2.253 70 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.251 70 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.251 70 G C 1.522 176.422 174.900 0.000 0.000 0.998 70 G CA 1.585 46.686 45.100 0.001 0.000 0.621 70 G HN 1.992 nan 8.290 nan 0.000 0.524 71 K N -0.050 120.349 120.400 -0.001 0.000 2.616 71 K HA 0.807 5.127 4.320 -0.000 0.000 0.192 71 K C 2.144 178.743 176.600 -0.003 0.000 1.031 71 K CA 1.721 58.007 56.287 -0.002 0.000 1.004 71 K CB -1.510 30.988 32.500 -0.003 0.000 0.810 71 K HN 2.631 nan 8.250 nan 0.000 0.497 72 V N -4.162 115.751 119.914 -0.002 0.000 3.518 72 V HA 0.210 4.330 4.120 -0.000 0.000 0.504 72 V C 0.093 176.185 176.094 -0.004 0.000 0.682 72 V CA 0.081 62.380 62.300 -0.002 0.000 2.054 72 V CB -1.799 30.022 31.823 -0.004 0.000 2.484 72 V HN 1.601 nan 8.190 nan 0.000 0.508 73 C N 3.002 122.300 119.300 -0.004 0.000 2.432 73 C HA 1.252 5.712 4.460 -0.000 0.000 0.334 73 C C 1.070 176.057 174.990 -0.006 0.000 1.155 73 C CA 1.283 60.298 59.018 -0.004 0.000 1.335 73 C CB 0.788 28.526 27.740 -0.003 0.000 1.964 73 C HN 3.188 nan 8.230 nan 0.000 0.444 74 E N 0.680 120.876 120.200 -0.007 0.000 2.252 74 E HA 0.499 4.848 4.350 -0.000 0.000 0.199 74 E C 0.090 176.683 176.600 -0.011 0.000 1.352 74 E CA 2.315 58.709 56.400 -0.009 0.000 0.682 74 E CB -2.075 27.620 29.700 -0.008 0.000 1.142 74 E HN 3.323 nan 8.360 nan 0.000 0.367 75 R N -2.480 118.012 120.500 -0.013 0.000 3.247 75 R HA 0.888 5.228 4.340 -0.000 0.000 0.272 75 R C 2.041 178.332 176.300 -0.017 0.000 0.916 75 R CA 0.766 56.856 56.100 -0.016 0.000 0.799 75 R CB -1.001 29.292 30.300 -0.012 0.000 1.579 75 R HN 2.040 nan 8.270 nan 0.000 0.469 76 C N 0.426 119.715 119.300 -0.018 0.000 3.133 76 C HA 0.372 4.832 4.460 -0.000 0.000 0.217 76 C C 1.359 176.341 174.990 -0.014 0.000 1.539 76 C CA 2.216 61.224 59.018 -0.016 0.000 1.808 76 C CB -2.012 25.722 27.740 -0.009 0.000 1.258 76 C HN 2.384 nan 8.230 nan 0.000 0.478 77 G N -3.566 105.225 108.800 -0.015 0.000 2.404 77 G HA2 0.675 4.635 3.960 -0.000 0.000 0.298 77 G HA3 0.675 4.635 3.960 -0.000 0.000 0.298 77 G C 0.312 175.205 174.900 -0.013 0.000 1.577 77 G CA 0.887 45.980 45.100 -0.013 0.000 0.847 77 G HN 2.265 nan 8.290 nan 0.000 0.598 78 V N -2.106 117.801 119.914 -0.012 0.000 1.328 78 V HA -0.069 4.051 4.120 -0.000 0.000 0.046 78 V C 1.494 177.581 176.094 -0.013 0.000 1.825 78 V CA 4.109 66.402 62.300 -0.011 0.000 2.663 78 V CB -1.775 30.042 31.823 -0.010 0.000 1.538 78 V HN 2.600 nan 8.190 nan 0.000 0.947 79 E N -1.383 118.808 120.200 -0.016 0.000 2.734 79 E HA 0.863 5.212 4.350 -0.000 0.000 0.211 79 E C 1.358 177.944 176.600 -0.023 0.000 0.991 79 E CA 1.781 58.170 56.400 -0.019 0.000 1.065 79 E CB 0.656 30.344 29.700 -0.020 0.000 1.047 79 E HN 2.640 nan 8.360 nan 0.000 0.470 80 V N -3.289 116.613 119.914 -0.021 0.000 3.093 80 V HA 0.685 4.805 4.120 -0.000 0.000 0.251 80 V C 1.193 177.276 176.094 -0.018 0.000 1.719 80 V CA 1.730 64.016 62.300 -0.023 0.000 1.026 80 V CB 0.397 32.203 31.823 -0.029 0.000 0.926 80 V HN 1.084 nan 8.190 nan 0.000 0.396 81 T N -1.484 113.061 114.554 -0.015 0.000 2.664 81 T HA 0.960 5.309 4.350 -0.000 0.000 0.221 81 T C 0.058 174.751 174.700 -0.011 0.000 2.343 81 T CA 1.520 63.612 62.100 -0.013 0.000 0.948 81 T CB -0.003 68.857 68.868 -0.012 0.000 2.422 81 T HN 2.514 nan 8.240 nan 0.000 0.326 82 R N -1.704 118.790 120.500 -0.010 0.000 4.162 82 R HA 0.933 5.273 4.340 -0.000 0.000 0.260 82 R C 0.716 177.011 176.300 -0.009 0.000 0.964 82 R CA 1.350 57.444 56.100 -0.009 0.000 1.072 82 R CB -1.209 29.086 30.300 -0.009 0.000 1.259 82 R HN 2.974 nan 8.270 nan 0.000 0.593 83 S N -2.143 113.553 115.700 -0.008 0.000 1.706 83 S HA 0.266 4.736 4.470 -0.000 0.000 0.229 83 S C 1.781 176.376 174.600 -0.008 0.000 0.861 83 S CA 4.755 62.950 58.200 -0.008 0.000 1.488 83 S CB -2.619 60.576 63.200 -0.008 0.000 1.943 83 S HN 2.923 nan 8.310 nan 0.000 0.533 84 I N -2.912 117.653 120.570 -0.009 0.000 1.124 84 I HA 0.861 5.031 4.170 -0.000 0.000 0.330 84 I C 1.659 177.770 176.117 -0.010 0.000 0.389 84 I CA 2.139 63.433 61.300 -0.009 0.000 3.333 84 I CB -0.759 37.235 38.000 -0.010 0.000 1.584 84 I HN 2.585 nan 8.210 nan 0.000 0.547 85 V N -0.814 119.094 119.914 -0.010 0.000 0.690 85 V HA 0.220 4.340 4.120 -0.000 0.000 0.092 85 V C 1.497 177.585 176.094 -0.010 0.000 0.774 85 V CA 4.895 67.189 62.300 -0.010 0.000 3.098 85 V CB -2.060 29.758 31.823 -0.010 0.000 0.185 85 V HN 2.956 nan 8.190 nan 0.000 0.075 86 R N -1.555 118.939 120.500 -0.010 0.000 1.832 86 R HA 1.001 5.340 4.340 -0.000 0.000 0.134 86 R C 1.983 178.277 176.300 -0.010 0.000 0.929 86 R CA 3.116 59.210 56.100 -0.010 0.000 1.715 86 R CB -0.907 29.387 30.300 -0.009 0.000 1.392 86 R HN 2.711 nan 8.270 nan 0.000 0.655 87 R N -3.453 117.042 120.500 -0.009 0.000 2.081 87 R HA 0.528 4.868 4.340 -0.000 0.000 0.158 87 R C 2.135 178.429 176.300 -0.010 0.000 1.886 87 R CA 2.290 58.384 56.100 -0.009 0.000 1.479 87 R CB -1.249 29.046 30.300 -0.008 0.000 1.254 87 R HN 2.396 nan 8.270 nan 0.000 0.475 88 Y N -1.679 118.616 120.300 -0.008 0.000 3.411 88 Y HA 0.207 4.757 4.550 -0.000 0.000 0.379 88 Y C 1.679 177.572 175.900 -0.011 0.000 1.051 88 Y CA 2.699 60.794 58.100 -0.008 0.000 1.292 88 Y CB -1.868 36.587 38.460 -0.007 0.000 0.950 88 Y HN 2.536 nan 8.280 nan 0.000 0.562 89 R N -2.363 118.130 120.500 -0.011 0.000 4.082 89 R HA 0.563 4.903 4.340 -0.000 0.000 0.374 89 R C 0.379 176.667 176.300 -0.019 0.000 0.241 89 R CA 2.878 58.969 56.100 -0.015 0.000 1.208 89 R CB -2.067 28.223 30.300 -0.017 0.000 1.142 89 R HN 3.694 nan 8.270 nan 0.000 0.491 90 M N -1.356 118.228 119.600 -0.027 0.000 2.569 90 M HA 0.783 5.263 4.480 -0.000 0.000 0.287 90 M C 0.766 177.034 176.300 -0.052 0.000 1.130 90 M CA 0.515 55.793 55.300 -0.037 0.000 0.885 90 M CB 0.548 33.132 32.600 -0.028 0.000 1.759 90 M HN 2.804 nan 8.290 nan 0.000 0.515 91 G N -0.501 108.251 108.800 -0.081 0.000 2.653 91 G HA2 0.683 4.643 3.960 -0.000 0.000 0.265 91 G HA3 0.683 4.643 3.960 -0.000 0.000 0.265 91 G C 0.284 175.130 174.900 -0.089 0.000 1.237 91 G CA 1.040 46.077 45.100 -0.105 0.000 0.946 91 G HN 2.771 nan 8.290 nan 0.000 0.522 92 H N -2.600 116.416 119.070 -0.090 0.000 3.503 92 H HA 0.592 5.148 4.556 -0.000 0.000 0.258 92 H C 0.987 176.286 175.328 -0.048 0.000 1.201 92 H CA 0.207 56.219 56.048 -0.060 0.000 1.024 92 H CB -1.257 28.482 29.762 -0.039 0.000 2.932 92 H HN 1.635 nan 8.280 nan 0.000 0.702 93 I N 1.803 122.335 120.570 -0.063 0.000 3.388 93 I HA 0.423 4.593 4.170 -0.000 0.000 0.298 93 I C 1.145 177.256 176.117 -0.010 0.000 1.238 93 I CA 1.238 62.520 61.300 -0.031 0.000 1.376 93 I CB -2.169 35.818 38.000 -0.021 0.000 1.470 93 I HN 1.114 nan 8.210 nan 0.000 0.547 94 E N 5.196 125.391 120.200 -0.008 0.000 2.506 94 E HA 0.512 4.862 4.350 -0.000 0.000 0.210 94 E C 1.422 178.025 176.600 0.005 0.000 1.325 94 E CA 1.318 57.717 56.400 -0.002 0.000 1.273 94 E CB -1.914 27.783 29.700 -0.005 0.000 1.276 94 E HN 2.710 nan 8.360 nan 0.000 0.442 95 L N -1.770 119.460 121.223 0.012 0.000 5.360 95 L HA 0.152 4.492 4.340 -0.000 0.000 0.053 95 L C 1.261 178.138 176.870 0.011 0.000 2.211 95 L CA 2.442 57.292 54.840 0.017 0.000 1.873 95 L CB -1.600 40.471 42.059 0.021 0.000 2.525 95 L HN 2.350 nan 8.230 nan 0.000 0.860 96 A N -4.172 118.654 122.820 0.009 0.000 2.487 96 A HA 0.758 5.078 4.320 -0.000 0.000 0.289 96 A C 1.153 178.739 177.584 0.004 0.000 0.888 96 A CA 1.019 53.059 52.037 0.005 0.000 0.682 96 A CB -1.245 17.758 19.000 0.005 0.000 1.078 96 A HN 3.535 nan 8.150 nan 0.000 0.359 97 T N -0.369 114.186 114.554 0.000 0.000 2.538 97 T HA 0.461 4.811 4.350 -0.000 0.000 0.471 97 T C -0.288 174.411 174.700 -0.001 0.000 0.782 97 T CA 2.962 65.061 62.100 -0.002 0.000 3.645 97 T CB -2.155 66.712 68.868 -0.002 0.000 0.908 97 T HN 2.649 nan 8.240 nan 0.000 0.279 98 P HA 1.048 nan 4.420 nan 0.000 0.276 98 P C -0.695 176.606 177.300 0.002 0.000 0.865 98 P CA 1.574 64.675 63.100 0.002 0.000 1.212 98 P CB 0.601 32.306 31.700 0.008 0.000 1.342 99 A N -2.402 120.423 122.820 0.009 0.000 5.201 99 A HA 1.006 5.325 4.320 -0.000 0.000 0.182 99 A C -0.379 177.221 177.584 0.026 0.000 0.975 99 A CA 0.964 53.010 52.037 0.016 0.000 0.842 99 A CB -0.847 18.152 19.000 -0.001 0.000 1.983 99 A HN 2.376 nan 8.150 nan 0.000 0.986 100 A N -3.780 119.059 122.820 0.033 0.000 2.332 100 A HA 0.792 5.112 4.320 -0.000 0.000 0.293 100 A C -0.231 177.399 177.584 0.078 0.000 1.014 100 A CA 1.157 53.223 52.037 0.047 0.000 0.566 100 A CB -1.130 17.901 19.000 0.053 0.000 1.483 100 A HN 2.846 nan 8.150 nan 0.000 0.603 101 H N -1.877 117.251 119.070 0.097 0.000 3.124 101 H HA 0.683 5.239 4.556 -0.000 0.000 0.250 101 H C 1.514 176.928 175.328 0.144 0.000 1.184 101 H CA 1.546 57.691 56.048 0.162 0.000 1.013 101 H CB -0.853 28.997 29.762 0.147 0.000 1.891 101 H HN 2.175 nan 8.280 nan 0.000 0.687 102 I N -1.238 119.391 120.570 0.099 0.000 2.361 102 I HA 0.074 4.243 4.170 -0.000 0.000 0.251 102 I C 2.373 178.532 176.117 0.070 0.000 1.133 102 I CA 1.912 63.253 61.300 0.069 0.000 1.413 102 I CB -1.870 36.159 38.000 0.049 0.000 1.073 102 I HN 1.021 nan 8.210 nan 0.000 0.424 103 W N -0.786 120.572 121.300 0.098 0.000 3.314 103 W HA 0.593 5.252 4.660 -0.000 0.000 0.413 103 W C 0.451 176.996 176.519 0.042 0.000 1.007 103 W CA -0.300 57.089 57.345 0.073 0.000 1.881 103 W CB -1.336 28.181 29.460 0.096 0.000 0.928 103 W HN 2.072 nan 8.180 nan 0.000 0.818 104 F N -2.247 117.734 119.950 0.051 0.000 2.388 104 F HA 0.359 4.885 4.527 -0.000 0.000 0.525 104 F C 0.729 176.661 175.800 0.219 0.000 1.242 104 F CA -1.378 56.604 58.000 -0.029 0.000 1.700 104 F CB -1.288 37.435 39.000 -0.461 0.000 2.576 104 F HN 1.154 nan 8.300 nan 0.000 0.737 105 V N 1.805 121.801 119.914 0.137 0.000 2.267 105 V HA 0.269 4.389 4.120 -0.000 0.000 0.228 105 V C 2.218 178.413 176.094 0.168 0.000 1.040 105 V CA 3.364 65.760 62.300 0.160 0.000 1.010 105 V CB -1.264 30.608 31.823 0.082 0.000 0.649 105 V HN 2.250 nan 8.190 nan 0.000 0.464 106 K N 0.594 121.042 120.400 0.081 0.000 2.360 106 K HA -0.131 4.189 4.320 -0.000 0.000 0.201 106 K C 1.967 178.610 176.600 0.070 0.000 1.046 106 K CA 2.614 58.937 56.287 0.059 0.000 0.940 106 K CB -2.210 30.297 32.500 0.012 0.000 0.748 106 K HN 1.075 nan 8.250 nan 0.000 0.465 107 D N 0.197 120.637 120.400 0.066 0.000 2.123 107 D HA 0.069 4.708 4.640 -0.000 0.000 0.196 107 D C 2.350 178.827 176.300 0.294 0.000 0.992 107 D CA 2.547 56.560 54.000 0.022 0.000 0.833 107 D CB -0.886 39.787 40.800 -0.212 0.000 0.954 107 D HN 0.635 nan 8.370 nan 0.000 0.455 108 V N 0.535 120.792 119.914 0.570 0.000 2.223 108 V HA 0.140 4.260 4.120 -0.000 0.000 0.244 108 V C 1.488 177.688 176.094 0.178 0.000 1.045 108 V CA 3.211 65.769 62.300 0.430 0.000 1.000 108 V CB -1.721 30.210 31.823 0.180 0.000 0.635 108 V HN 0.516 nan 8.190 nan 0.000 0.445 109 P HA -0.119 nan 4.420 nan 0.000 0.225 109 P C 1.773 179.099 177.300 0.043 0.000 1.141 109 P CA 3.065 66.201 63.100 0.060 0.000 0.774 109 P CB -0.635 31.092 31.700 0.045 0.000 0.760 110 S N -0.724 115.005 115.700 0.048 0.000 2.355 110 S HA 0.285 4.754 4.470 -0.000 0.000 0.216 110 S C 1.946 176.555 174.600 0.014 0.000 1.037 110 S CA 1.593 59.796 58.200 0.006 0.000 0.955 110 S CB -0.489 62.687 63.200 -0.041 0.000 0.877 110 S HN 0.472 nan 8.310 nan 0.000 0.488 111 K N 0.723 121.148 120.400 0.042 0.000 3.225 111 K HA 0.657 4.977 4.320 -0.000 0.000 0.282 111 K C 0.347 177.000 176.600 0.088 0.000 1.060 111 K CA 0.514 56.851 56.287 0.083 0.000 1.186 111 K CB -1.829 30.799 32.500 0.213 0.000 1.214 111 K HN 1.751 nan 8.250 nan 0.000 0.428 112 I N -2.020 118.580 120.570 0.050 0.000 2.220 112 I HA 0.418 4.588 4.170 -0.000 0.000 0.308 112 I C 0.821 176.951 176.117 0.022 0.000 1.636 112 I CA -0.424 60.896 61.300 0.033 0.000 0.743 112 I CB -1.102 36.913 38.000 0.024 0.000 1.987 112 I HN 0.843 nan 8.210 nan 0.000 0.562 113 G N 1.819 110.631 108.800 0.019 0.000 2.042 113 G HA2 0.332 4.291 3.960 -0.000 0.000 0.249 113 G HA3 0.332 4.291 3.960 -0.000 0.000 0.249 113 G C 0.616 175.524 174.900 0.012 0.000 0.736 113 G CA 1.425 46.533 45.100 0.014 0.000 0.950 113 G HN 2.691 nan 8.290 nan 0.000 0.402 114 T N -1.724 112.839 114.554 0.015 0.000 3.350 114 T HA 0.728 5.078 4.350 -0.000 0.000 0.246 114 T C 0.487 175.196 174.700 0.015 0.000 1.284 114 T CA 0.267 62.374 62.100 0.012 0.000 1.329 114 T CB -0.091 68.782 68.868 0.009 0.000 1.033 114 T HN 1.352 nan 8.240 nan 0.000 0.632 115 L N 0.620 121.852 121.223 0.014 0.000 2.350 115 L HA 0.885 5.224 4.340 -0.000 0.000 0.275 115 L C 2.178 179.055 176.870 0.011 0.000 1.099 115 L CA 0.058 54.907 54.840 0.014 0.000 0.808 115 L CB -0.227 41.838 42.059 0.010 0.000 1.149 115 L HN 1.986 nan 8.230 nan 0.000 0.442 116 L N -0.416 120.814 121.223 0.012 0.000 5.279 116 L HA -0.299 4.041 4.340 -0.000 0.000 0.428 116 L C 1.483 178.358 176.870 0.009 0.000 0.974 116 L CA 3.326 58.172 54.840 0.009 0.000 1.338 116 L CB -2.616 39.448 42.059 0.007 0.000 1.740 116 L HN 1.943 nan 8.230 nan 0.000 0.657 117 D N -2.648 117.758 120.400 0.009 0.000 2.615 117 D HA 0.589 5.229 4.640 -0.000 0.000 0.259 117 D C 2.535 178.839 176.300 0.008 0.000 0.999 117 D CA 2.356 56.360 54.000 0.007 0.000 0.938 117 D CB -0.351 40.452 40.800 0.005 0.000 1.121 117 D HN 2.183 nan 8.370 nan 0.000 0.487 118 L N -0.568 120.661 121.223 0.010 0.000 2.450 118 L HA 0.332 4.672 4.340 -0.000 0.000 0.225 118 L C 2.492 179.371 176.870 0.014 0.000 1.145 118 L CA 2.352 57.199 54.840 0.011 0.000 0.801 118 L CB -2.464 39.607 42.059 0.020 0.000 0.924 118 L HN 0.857 nan 8.230 nan 0.000 0.447 119 F N -1.573 118.385 119.950 0.014 0.000 2.696 119 F HA 0.699 5.226 4.527 -0.000 0.000 0.296 119 F C 1.584 177.390 175.800 0.010 0.000 1.181 119 F CA 0.821 58.830 58.000 0.014 0.000 1.411 119 F CB -0.866 38.142 39.000 0.014 0.000 1.014 119 F HN 0.689 nan 8.300 nan 0.000 0.512 120 A N -1.261 121.563 122.820 0.007 0.000 1.878 120 A HA 0.391 4.710 4.320 -0.000 0.000 0.201 120 A C 2.183 179.769 177.584 0.002 0.000 1.831 120 A CA 1.387 53.427 52.037 0.004 0.000 1.050 120 A CB -1.262 17.740 19.000 0.003 0.000 1.063 120 A HN 0.728 nan 8.150 nan 0.000 0.588 121 T N -0.378 114.176 114.554 -0.000 0.000 2.665 121 T HA -0.006 4.344 4.350 -0.000 0.000 0.268 121 T C 1.918 176.616 174.700 -0.004 0.000 1.035 121 T CA 3.691 65.788 62.100 -0.004 0.000 1.151 121 T CB -0.924 67.939 68.868 -0.009 0.000 0.862 121 T HN 0.713 nan 8.240 nan 0.000 0.438 122 E N -0.052 120.147 120.200 -0.001 0.000 2.209 122 E HA 0.369 4.719 4.350 -0.000 0.000 0.196 122 E C 1.692 178.295 176.600 0.004 0.000 0.993 122 E CA 1.412 57.812 56.400 0.001 0.000 0.819 122 E CB -1.159 28.547 29.700 0.010 0.000 0.745 122 E HN 1.271 nan 8.360 nan 0.000 0.477 123 L N 0.806 122.032 121.223 0.005 0.000 2.701 123 L HA 0.784 5.124 4.340 -0.000 0.000 0.237 123 L C 0.873 177.745 176.870 0.003 0.000 1.204 123 L CA 0.349 55.193 54.840 0.006 0.000 1.109 123 L CB -1.169 40.894 42.059 0.007 0.000 1.409 123 L HN 0.768 nan 8.230 nan 0.000 0.428 124 E N 0.132 120.332 120.200 0.001 0.000 0.853 124 E HA 0.237 4.587 4.350 -0.000 0.000 0.299 124 E C 0.664 177.264 176.600 0.000 0.000 0.552 124 E CA 1.897 58.297 56.400 -0.000 0.000 1.062 124 E CB -1.675 28.024 29.700 -0.000 0.000 0.733 124 E HN 2.421 nan 8.360 nan 0.000 0.318 125 Q N -2.493 117.307 119.800 -0.000 0.000 1.682 125 Q HA 0.600 4.940 4.340 -0.000 0.000 0.162 125 Q C 0.869 176.869 176.000 0.000 0.000 0.798 125 Q CA 1.138 56.941 55.803 0.000 0.000 0.797 125 Q CB -0.944 27.795 28.738 0.002 0.000 1.232 125 Q HN 2.230 nan 8.270 nan 0.000 0.369 126 V N -2.359 117.555 119.914 -0.001 0.000 6.185 126 V HA 0.968 5.088 4.120 -0.000 0.000 0.073 126 V C -0.257 175.835 176.094 -0.003 0.000 0.962 126 V CA 0.618 62.917 62.300 -0.001 0.000 1.197 126 V CB 0.615 32.438 31.823 -0.001 0.000 2.307 126 V HN 1.844 nan 8.190 nan 0.000 0.411 127 L N -1.908 119.313 121.223 -0.003 0.000 3.138 127 L HA 0.657 4.997 4.340 -0.000 0.000 0.248 127 L C 0.431 177.298 176.870 -0.006 0.000 0.954 127 L CA 0.279 55.116 54.840 -0.005 0.000 1.147 127 L CB -0.756 41.301 42.059 -0.004 0.000 1.648 127 L HN 2.325 nan 8.230 nan 0.000 0.567 128 Y N 1.638 121.932 120.300 -0.009 0.000 2.133 128 Y HA 0.390 4.940 4.550 -0.000 0.000 0.287 128 Y C 2.854 178.748 175.900 -0.010 0.000 1.134 128 Y CA 3.980 62.073 58.100 -0.011 0.000 1.133 128 Y CB -0.807 37.643 38.460 -0.016 0.000 0.987 128 Y HN 2.791 nan 8.280 nan 0.000 0.502 129 F N -2.241 117.703 119.950 -0.010 0.000 2.183 129 F HA 0.003 4.529 4.527 -0.000 0.000 0.318 129 F C 1.716 177.509 175.800 -0.011 0.000 0.494 129 F CA 2.978 60.973 58.000 -0.009 0.000 0.912 129 F CB -2.103 36.893 39.000 -0.007 0.000 4.135 129 F HN 2.157 nan 8.300 nan 0.000 0.137 130 N N -2.268 116.426 118.700 -0.010 0.000 2.884 130 N HA 0.297 5.037 4.740 -0.000 0.000 0.210 130 N C 1.685 177.189 175.510 -0.010 0.000 0.941 130 N CA 2.914 55.958 53.050 -0.011 0.000 1.131 130 N CB -2.472 36.006 38.487 -0.016 0.000 0.965 130 N HN 3.062 nan 8.380 nan 0.000 0.591 131 K N 0.257 120.652 120.400 -0.010 0.000 2.228 131 K HA 0.672 4.992 4.320 -0.000 0.000 0.284 131 K C 1.025 177.621 176.600 -0.007 0.000 1.088 131 K CA 0.686 56.968 56.287 -0.009 0.000 0.941 131 K CB -1.941 30.554 32.500 -0.009 0.000 1.158 131 K HN 2.119 nan 8.250 nan 0.000 0.438 132 Y N 0.798 121.094 120.300 -0.006 0.000 2.384 132 Y HA 0.199 4.749 4.550 -0.000 0.000 0.435 132 Y C 1.489 177.386 175.900 -0.004 0.000 1.313 132 Y CA 0.572 58.669 58.100 -0.005 0.000 1.842 132 Y CB -2.315 36.143 38.460 -0.004 0.000 1.283 132 Y HN 1.105 nan 8.280 nan 0.000 0.397 133 I N 1.752 122.320 120.570 -0.004 0.000 2.090 133 I HA 0.488 4.658 4.170 -0.000 0.000 0.160 133 I C 2.021 178.136 176.117 -0.002 0.000 1.436 133 I CA 1.939 63.237 61.300 -0.003 0.000 0.540 133 I CB -0.543 37.455 38.000 -0.003 0.000 1.912 133 I HN 1.846 nan 8.210 nan 0.000 1.138 134 V N -2.391 117.522 119.914 -0.002 0.000 3.602 134 V HA 0.734 4.854 4.120 -0.000 0.000 0.186 134 V C 0.470 176.563 176.094 -0.001 0.000 1.444 134 V CA 1.625 63.924 62.300 -0.002 0.000 1.221 134 V CB -0.145 31.677 31.823 -0.002 0.000 1.180 134 V HN 2.681 nan 8.190 nan 0.000 0.554 135 L N -1.982 119.240 121.223 -0.001 0.000 2.947 135 L HA 0.836 5.176 4.340 -0.000 0.000 0.267 135 L C -0.212 176.657 176.870 -0.001 0.000 1.004 135 L CA 1.067 55.907 54.840 -0.001 0.000 0.937 135 L CB 0.610 42.668 42.059 -0.001 0.000 1.496 135 L HN 1.110 nan 8.230 nan 0.000 0.409 136 D N -1.305 119.095 120.400 -0.001 0.000 2.097 136 D HA 0.758 5.397 4.640 -0.000 0.000 0.325 136 D C -0.130 176.170 176.300 -0.000 0.000 1.087 136 D CA 1.831 55.831 54.000 -0.001 0.000 0.917 136 D CB 1.097 41.897 40.800 -0.001 0.000 1.784 136 D HN 2.451 nan 8.370 nan 0.000 0.532 137 P HA 0.529 nan 4.420 nan 0.000 0.535 137 P C 0.405 177.705 177.300 0.000 0.000 0.687 137 P CA 1.781 64.882 63.100 0.000 0.000 2.509 137 P CB -0.765 30.935 31.700 0.000 0.000 1.141 138 K N -1.991 118.409 120.400 0.000 0.000 2.890 138 K HA 0.746 5.066 4.320 -0.000 0.000 0.202 138 K C 1.517 178.117 176.600 0.000 0.000 1.592 138 K CA 1.974 58.262 56.287 0.000 0.000 1.197 138 K CB 0.250 32.751 32.500 0.001 0.000 1.913 138 K HN 1.423 nan 8.250 nan 0.000 0.550 139 G N -1.037 107.763 108.800 0.000 0.000 2.687 139 G HA2 0.590 4.550 3.960 -0.000 0.000 0.106 139 G HA3 0.590 4.550 3.960 -0.000 0.000 0.106 139 G C -0.565 174.335 174.900 -0.000 0.000 1.082 139 G CA 0.914 46.014 45.100 0.000 0.000 1.394 139 G HN 1.709 nan 8.290 nan 0.000 0.627 140 A N -2.256 120.564 122.820 -0.000 0.000 2.490 140 A HA 1.020 5.340 4.320 -0.000 0.000 0.292 140 A C -1.316 176.268 177.584 -0.000 0.000 1.047 140 A CA 0.427 52.464 52.037 -0.001 0.000 0.632 140 A CB 0.593 19.592 19.000 -0.001 0.000 1.323 140 A HN 2.435 nan 8.150 nan 0.000 0.448 141 V N -1.542 118.371 119.914 -0.001 0.000 2.859 141 V HA 0.690 4.810 4.120 -0.000 0.000 0.276 141 V C 0.250 176.343 176.094 -0.002 0.000 1.496 141 V CA 0.037 62.336 62.300 -0.001 0.000 0.929 141 V CB 0.806 32.630 31.823 0.000 0.000 1.147 141 V HN 2.558 nan 8.190 nan 0.000 0.449 142 L N 1.916 123.137 121.223 -0.002 0.000 2.983 142 L HA 0.601 4.941 4.340 -0.000 0.000 0.244 142 L C 0.761 177.629 176.870 -0.004 0.000 1.465 142 L CA 2.562 57.400 54.840 -0.004 0.000 1.147 142 L CB -1.801 40.256 42.059 -0.004 0.000 1.442 142 L HN 2.076 nan 8.230 nan 0.000 0.452 143 D N -0.927 119.471 120.400 -0.003 0.000 1.765 143 D HA 0.284 4.924 4.640 -0.000 0.000 0.706 143 D C 1.334 177.633 176.300 -0.002 0.000 0.679 143 D CA 0.363 54.361 54.000 -0.002 0.000 1.216 143 D CB -0.802 39.998 40.800 0.000 0.000 1.313 143 D HN 1.351 nan 8.370 nan 0.000 0.436 144 G N 0.892 109.691 108.800 -0.001 0.000 2.472 144 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 144 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 144 G C 0.750 175.649 174.900 -0.002 0.000 0.898 144 G CA 0.745 45.844 45.100 -0.001 0.000 1.645 144 G HN 1.571 nan 8.290 nan 0.000 0.459 145 V N 3.688 123.601 119.914 -0.002 0.000 2.416 145 V HA 0.528 4.647 4.120 -0.000 0.000 0.260 145 V C -0.232 175.861 176.094 -0.002 0.000 1.018 145 V CA -0.277 62.022 62.300 -0.002 0.000 1.120 145 V CB -0.851 30.971 31.823 -0.001 0.000 1.081 145 V HN 0.740 nan 8.190 nan 0.000 0.474 146 P HA 0.685 nan 4.420 nan 0.000 0.271 146 P C 0.189 177.488 177.300 -0.001 0.000 1.244 146 P CA 0.987 64.086 63.100 -0.002 0.000 0.793 146 P CB 0.905 32.603 31.700 -0.002 0.000 0.984 147 V N -0.271 119.642 119.914 -0.001 0.000 3.743 147 V HA 0.591 4.711 4.120 -0.000 0.000 0.274 147 V C 1.976 178.069 176.094 -0.001 0.000 1.001 147 V CA 0.899 63.198 62.300 -0.001 0.000 0.890 147 V CB -0.639 31.184 31.823 -0.000 0.000 1.225 147 V HN 0.691 nan 8.190 nan 0.000 0.411 148 E N -0.969 119.230 120.200 -0.001 0.000 2.478 148 E HA 0.284 4.634 4.350 -0.000 0.000 0.194 148 E C 1.642 178.242 176.600 -0.001 0.000 1.045 148 E CA 1.576 57.976 56.400 -0.001 0.000 0.868 148 E CB -0.509 29.191 29.700 -0.000 0.000 0.885 148 E HN 1.158 nan 8.360 nan 0.000 0.505 149 K N -0.517 119.883 120.400 -0.001 0.000 2.312 149 K HA 0.400 4.719 4.320 -0.000 0.000 0.206 149 K C 2.678 179.278 176.600 -0.001 0.000 1.121 149 K CA 1.479 57.766 56.287 -0.001 0.000 0.923 149 K CB -1.147 31.353 32.500 -0.001 0.000 1.162 149 K HN 0.543 nan 8.250 nan 0.000 0.478 150 R N 0.670 121.169 120.500 -0.001 0.000 2.196 150 R HA -0.285 4.055 4.340 -0.000 0.000 0.259 150 R C 2.792 179.091 176.300 -0.002 0.000 1.154 150 R CA 3.623 59.722 56.100 -0.001 0.000 0.976 150 R CB -2.130 28.170 30.300 -0.001 0.000 0.888 150 R HN 0.934 nan 8.270 nan 0.000 0.453 151 Q N -1.140 118.659 119.800 -0.002 0.000 1.917 151 Q HA 0.238 4.578 4.340 -0.000 0.000 0.205 151 Q C 3.109 179.108 176.000 -0.002 0.000 0.988 151 Q CA 3.450 59.252 55.803 -0.002 0.000 0.851 151 Q CB -1.409 27.327 28.738 -0.003 0.000 0.916 151 Q HN 1.544 nan 8.270 nan 0.000 0.424 152 L N 0.561 121.783 121.223 -0.002 0.000 2.030 152 L HA 0.003 4.342 4.340 -0.000 0.000 0.222 152 L C 3.336 180.205 176.870 -0.001 0.000 1.082 152 L CA 4.780 59.620 54.840 -0.002 0.000 0.785 152 L CB -2.406 39.652 42.059 -0.001 0.000 0.895 152 L HN 1.262 nan 8.230 nan 0.000 0.439 153 L N -0.974 120.249 121.223 -0.001 0.000 1.934 153 L HA -0.024 4.316 4.340 -0.000 0.000 0.227 153 L C 2.928 179.798 176.870 -0.001 0.000 1.084 153 L CA 4.097 58.936 54.840 -0.001 0.000 0.790 153 L CB -2.064 39.995 42.059 -0.001 0.000 0.896 153 L HN 1.007 nan 8.230 nan 0.000 0.437 154 T N -0.714 113.840 114.554 -0.001 0.000 3.584 154 T HA 0.412 4.762 4.350 -0.000 0.000 0.252 154 T C 0.535 175.234 174.700 -0.002 0.000 1.103 154 T CA 1.159 63.258 62.100 -0.002 0.000 0.977 154 T CB -2.004 66.863 68.868 -0.002 0.000 1.044 154 T HN 1.168 nan 8.240 nan 0.000 0.589 453 D N 1.172 121.570 120.400 -0.004 0.000 2.605 453 D HA 0.229 4.868 4.640 -0.000 0.000 0.219 453 D C 1.593 177.890 176.300 -0.005 0.000 1.132 453 D CA 3.905 57.903 54.000 -0.004 0.000 0.968 453 D CB 0.101 40.898 40.800 -0.004 0.000 1.330 453 D HN 2.682 nan 8.370 nan 0.000 0.512 454 A N -3.171 119.646 122.820 -0.005 0.000 3.229 454 A HA 0.864 5.184 4.320 -0.000 0.000 0.131 454 A C 0.583 178.162 177.584 -0.008 0.000 1.366 454 A CA 1.738 53.771 52.037 -0.007 0.000 2.531 454 A CB -0.027 18.969 19.000 -0.006 0.000 2.936 454 A HN 1.977 nan 8.150 nan 0.000 1.241 455 R N -1.391 119.104 120.500 -0.008 0.000 2.979 455 R HA 0.733 5.073 4.340 -0.000 0.000 0.286 455 R C -1.179 175.115 176.300 -0.010 0.000 0.972 455 R CA 0.305 56.400 56.100 -0.009 0.000 0.828 455 R CB 0.063 30.356 30.300 -0.012 0.000 1.368 455 R HN 2.279 nan 8.270 nan 0.000 0.511 456 M N 0.091 119.685 119.600 -0.010 0.000 2.682 456 M HA 0.710 5.190 4.480 -0.000 0.000 0.272 456 M C -0.057 176.236 176.300 -0.011 0.000 1.232 456 M CA 0.676 55.970 55.300 -0.010 0.000 0.849 456 M CB 1.587 34.183 32.600 -0.007 0.000 1.695 456 M HN 2.641 nan 8.290 nan 0.000 0.481 457 G N 1.410 110.203 108.800 -0.011 0.000 2.331 457 G HA2 0.259 4.219 3.960 -0.000 0.000 0.479 457 G HA3 0.259 4.219 3.960 -0.000 0.000 0.479 457 G C -0.272 174.618 174.900 -0.017 0.000 1.262 457 G CA 0.024 45.117 45.100 -0.011 0.000 1.029 457 G HN 1.366 nan 8.290 nan 0.000 0.487 458 A N -0.964 121.846 122.820 -0.018 0.000 1.924 458 A HA 0.385 4.705 4.320 -0.000 0.000 0.211 458 A C 1.902 179.463 177.584 -0.039 0.000 1.198 458 A CA 1.872 53.892 52.037 -0.027 0.000 0.657 458 A CB -0.479 18.510 19.000 -0.018 0.000 0.852 458 A HN 1.034 nan 8.150 nan 0.000 0.454 459 E N 0.318 120.500 120.200 -0.031 0.000 2.233 459 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 459 E C 1.891 178.466 176.600 -0.041 0.000 1.004 459 E CA 1.203 57.583 56.400 -0.034 0.000 0.819 459 E CB -0.176 29.509 29.700 -0.024 0.000 0.738 459 E HN 0.568 nan 8.360 nan 0.000 0.478 460 A N 1.019 123.817 122.820 -0.037 0.000 1.855 460 A HA -0.093 4.227 4.320 -0.000 0.000 0.213 460 A C 2.062 179.615 177.584 -0.052 0.000 1.195 460 A CA 0.978 52.992 52.037 -0.038 0.000 0.610 460 A CB -0.339 18.644 19.000 -0.028 0.000 0.837 460 A HN 0.287 nan 8.150 nan 0.000 0.444 461 I N 0.336 120.871 120.570 -0.058 0.000 2.248 461 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 461 I C 2.563 178.611 176.117 -0.115 0.000 1.107 461 I CA 1.547 62.798 61.300 -0.082 0.000 1.373 461 I CB -1.555 36.393 38.000 -0.085 0.000 1.055 461 I HN 0.504 nan 8.210 nan 0.000 0.418 462 Q N 0.869 120.606 119.800 -0.105 0.000 1.917 462 Q HA -0.256 4.083 4.340 -0.000 0.000 0.205 462 Q C 2.200 178.140 176.000 -0.099 0.000 0.988 462 Q CA 2.071 57.803 55.803 -0.119 0.000 0.851 462 Q CB -0.208 28.479 28.738 -0.086 0.000 0.916 462 Q HN 0.490 nan 8.270 nan 0.000 0.424 463 E N 0.143 120.301 120.200 -0.070 0.000 2.132 463 E HA -0.284 4.066 4.350 -0.000 0.000 0.218 463 E C 2.177 178.742 176.600 -0.058 0.000 1.058 463 E CA 2.034 58.401 56.400 -0.055 0.000 0.882 463 E CB -0.392 29.283 29.700 -0.041 0.000 0.774 463 E HN 0.364 nan 8.360 nan 0.000 0.467 464 L N -0.187 121.000 121.223 -0.060 0.000 1.978 464 L HA -0.268 4.072 4.340 -0.000 0.000 0.218 464 L C 2.719 179.549 176.870 -0.067 0.000 1.075 464 L CA 1.162 55.969 54.840 -0.055 0.000 0.767 464 L CB -0.475 41.551 42.059 -0.054 0.000 0.890 464 L HN 0.268 nan 8.230 nan 0.000 0.434 465 L N -0.062 121.098 121.223 -0.106 0.000 2.456 465 L HA -0.100 4.240 4.340 -0.000 0.000 0.224 465 L C 2.033 178.832 176.870 -0.118 0.000 1.148 465 L CA 1.405 56.164 54.840 -0.134 0.000 0.825 465 L CB -1.522 40.387 42.059 -0.251 0.000 0.937 465 L HN 0.188 nan 8.230 nan 0.000 0.450 466 K N -0.286 120.056 120.400 -0.097 0.000 2.863 466 K HA 0.285 4.605 4.320 -0.000 0.000 0.315 466 K C 1.813 178.379 176.600 -0.058 0.000 1.051 466 K CA 0.791 57.031 56.287 -0.078 0.000 1.028 466 K CB -1.273 31.189 32.500 -0.064 0.000 1.129 466 K HN 0.207 nan 8.250 nan 0.000 0.459 467 E N -0.761 119.412 120.200 -0.045 0.000 2.284 467 E HA 0.044 4.393 4.350 -0.000 0.000 0.200 467 E C 2.399 178.983 176.600 -0.025 0.000 1.008 467 E CA 2.906 59.287 56.400 -0.032 0.000 0.829 467 E CB -1.772 27.913 29.700 -0.026 0.000 0.744 467 E HN 1.284 nan 8.360 nan 0.000 0.491 468 L N 2.255 123.462 121.223 -0.027 0.000 1.886 468 L HA -0.158 4.181 4.340 -0.000 0.000 0.226 468 L C 2.622 179.485 176.870 -0.012 0.000 1.091 468 L CA 2.730 57.559 54.840 -0.019 0.000 0.799 468 L CB -1.631 40.415 42.059 -0.021 0.000 0.889 468 L HN 0.683 nan 8.230 nan 0.000 0.429 469 D N 0.448 120.841 120.400 -0.011 0.000 2.228 469 D HA -0.199 4.441 4.640 -0.000 0.000 0.203 469 D C 2.174 178.477 176.300 0.005 0.000 0.988 469 D CA 2.539 56.541 54.000 0.004 0.000 0.864 469 D CB -1.029 39.779 40.800 0.013 0.000 0.928 469 D HN 0.927 nan 8.370 nan 0.000 0.469 470 L N 1.725 122.940 121.223 -0.015 0.000 2.149 470 L HA -0.276 4.064 4.340 -0.000 0.000 0.223 470 L C 1.909 178.777 176.870 -0.004 0.000 1.089 470 L CA 2.698 57.526 54.840 -0.021 0.000 0.800 470 L CB -2.346 39.695 42.059 -0.030 0.000 0.897 470 L HN 0.515 nan 8.230 nan 0.000 0.443 471 E N 0.647 120.849 120.200 0.003 0.000 1.800 471 E HA 0.362 4.712 4.350 -0.000 0.000 0.262 471 E C 1.164 177.778 176.600 0.024 0.000 1.219 471 E CA 0.327 56.733 56.400 0.011 0.000 1.051 471 E CB -0.272 29.433 29.700 0.009 0.000 1.074 471 E HN 0.684 nan 8.360 nan 0.000 0.433 472 K N 3.218 123.637 120.400 0.032 0.000 2.314 472 K HA 0.069 4.389 4.320 -0.000 0.000 0.198 472 K C 1.759 178.389 176.600 0.050 0.000 1.045 472 K CA 0.504 56.824 56.287 0.055 0.000 0.988 472 K CB -0.589 31.956 32.500 0.075 0.000 0.783 472 K HN 0.457 nan 8.250 nan 0.000 0.484 473 L N 0.563 121.808 121.223 0.037 0.000 2.263 473 L HA -0.238 4.102 4.340 -0.000 0.000 0.216 473 L C 2.362 179.251 176.870 0.032 0.000 1.111 473 L CA 1.621 56.480 54.840 0.033 0.000 0.773 473 L CB -0.378 41.696 42.059 0.024 0.000 0.906 473 L HN 0.511 nan 8.230 nan 0.000 0.439 474 E N -0.378 119.841 120.200 0.031 0.000 2.024 474 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 474 E C 2.245 178.865 176.600 0.033 0.000 0.974 474 E CA 0.203 56.620 56.400 0.028 0.000 0.810 474 E CB 0.014 29.728 29.700 0.023 0.000 0.775 474 E HN 0.243 nan 8.360 nan 0.000 0.453 475 R N 0.710 121.234 120.500 0.040 0.000 2.185 475 R HA -0.204 4.136 4.340 -0.000 0.000 0.247 475 R C 2.275 178.602 176.300 0.045 0.000 1.159 475 R CA 1.640 57.767 56.100 0.044 0.000 0.988 475 R CB -1.315 29.020 30.300 0.059 0.000 0.871 475 R HN 0.426 nan 8.270 nan 0.000 0.458 476 E N 0.974 121.203 120.200 0.049 0.000 2.085 476 E HA -0.148 4.201 4.350 -0.000 0.000 0.194 476 E C 1.914 178.536 176.600 0.036 0.000 0.994 476 E CA 1.653 58.081 56.400 0.047 0.000 0.801 476 E CB -0.394 29.335 29.700 0.048 0.000 0.743 476 E HN 0.210 nan 8.360 nan 0.000 0.453 477 L N -0.422 120.820 121.223 0.032 0.000 2.362 477 L HA 0.380 4.719 4.340 -0.000 0.000 0.204 477 L C 2.962 179.846 176.870 0.023 0.000 1.060 477 L CA 1.705 56.560 54.840 0.026 0.000 0.827 477 L CB -0.253 41.820 42.059 0.023 0.000 1.027 477 L HN 0.403 nan 8.230 nan 0.000 0.474 478 L N -0.173 121.065 121.223 0.024 0.000 2.064 478 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 478 L C 2.547 179.430 176.870 0.021 0.000 1.077 478 L CA 3.310 58.163 54.840 0.021 0.000 0.766 478 L CB -2.454 39.619 42.059 0.023 0.000 0.890 478 L HN 0.545 nan 8.230 nan 0.000 0.435 479 E N -0.583 119.631 120.200 0.024 0.000 2.122 479 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 479 E C 2.040 178.652 176.600 0.020 0.000 0.977 479 E CA 0.999 57.412 56.400 0.022 0.000 0.820 479 E CB -0.621 29.094 29.700 0.025 0.000 0.770 479 E HN 0.867 nan 8.360 nan 0.000 0.462 480 E N 0.010 120.224 120.200 0.023 0.000 2.233 480 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 480 E C 1.971 178.581 176.600 0.018 0.000 1.004 480 E CA 1.681 58.094 56.400 0.021 0.000 0.819 480 E CB -0.214 29.500 29.700 0.023 0.000 0.738 480 E HN 0.477 nan 8.360 nan 0.000 0.478 481 M N 0.657 120.267 119.600 0.017 0.000 2.132 481 M HA -0.044 4.435 4.480 -0.000 0.000 0.263 481 M C 0.545 176.853 176.300 0.013 0.000 1.065 481 M CA 0.984 56.292 55.300 0.014 0.000 1.122 481 M CB -0.533 32.075 32.600 0.013 0.000 1.365 481 M HN -0.087 nan 8.290 nan 0.000 0.411 482 K N 0.550 120.959 120.400 0.013 0.000 2.419 482 K HA 0.119 4.439 4.320 -0.000 0.000 0.282 482 K C 0.420 177.028 176.600 0.012 0.000 1.056 482 K CA 1.156 57.451 56.287 0.012 0.000 1.035 482 K CB -0.033 32.474 32.500 0.012 0.000 0.921 482 K HN 0.549 nan 8.250 nan 0.000 0.472 483 H N 2.843 121.920 119.070 0.011 0.000 2.322 483 H HA 0.031 4.586 4.556 -0.000 0.000 0.154 483 H C -1.591 173.743 175.328 0.009 0.000 0.927 483 H CA 0.438 56.492 56.048 0.011 0.000 0.678 483 H CB -0.901 28.868 29.762 0.012 0.000 0.658 483 H HN 0.585 nan 8.280 nan 0.000 0.433 484 P HA -0.102 nan 4.420 nan 0.000 0.210 484 P C 1.295 178.599 177.300 0.007 0.000 1.185 484 P CA 1.800 64.904 63.100 0.008 0.000 0.924 484 P CB -0.661 31.043 31.700 0.007 0.000 0.786 485 S N -0.566 115.138 115.700 0.007 0.000 2.536 485 S HA -0.105 4.365 4.470 -0.000 0.000 0.290 485 S C 1.552 176.156 174.600 0.006 0.000 1.302 485 S CA 0.075 58.279 58.200 0.006 0.000 1.037 485 S CB 0.270 63.474 63.200 0.006 0.000 0.804 485 S HN 0.237 nan 8.310 nan 0.000 0.506 486 R N 3.842 124.345 120.500 0.005 0.000 1.730 486 R HA 0.215 4.555 4.340 -0.000 0.000 0.133 486 R C 2.212 178.516 176.300 0.005 0.000 0.773 486 R CA 0.904 57.007 56.100 0.005 0.000 1.633 486 R CB -1.268 29.035 30.300 0.004 0.000 0.594 486 R HN 0.599 nan 8.270 nan 0.000 0.666 487 A N 0.478 123.301 122.820 0.005 0.000 2.186 487 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 487 A C 2.157 179.744 177.584 0.005 0.000 1.159 487 A CA 1.280 53.319 52.037 0.004 0.000 0.680 487 A CB -0.574 18.428 19.000 0.004 0.000 0.787 487 A HN 0.488 nan 8.150 nan 0.000 0.467 488 R N -1.006 119.497 120.500 0.005 0.000 2.119 488 R HA -0.003 4.337 4.340 -0.000 0.000 0.222 488 R C 2.349 178.652 176.300 0.006 0.000 1.088 488 R CA 0.890 56.993 56.100 0.005 0.000 0.984 488 R CB -0.283 30.020 30.300 0.006 0.000 0.884 488 R HN 0.572 nan 8.270 nan 0.000 0.447 489 R N 1.352 121.856 120.500 0.007 0.000 2.139 489 R HA -0.181 4.158 4.340 -0.000 0.000 0.243 489 R C 1.921 178.226 176.300 0.008 0.000 1.145 489 R CA 1.541 57.646 56.100 0.008 0.000 0.976 489 R CB -0.214 30.091 30.300 0.009 0.000 0.866 489 R HN 0.205 nan 8.270 nan 0.000 0.449 490 A N 1.701 124.525 122.820 0.007 0.000 1.827 490 A HA -0.241 4.078 4.320 -0.000 0.000 0.215 490 A C 1.861 179.448 177.584 0.005 0.000 1.212 490 A CA 1.728 53.769 52.037 0.006 0.000 0.624 490 A CB -0.879 18.124 19.000 0.005 0.000 0.853 490 A HN 0.476 nan 8.150 nan 0.000 0.450 491 K N -0.913 119.489 120.400 0.004 0.000 2.312 491 K HA -0.332 3.988 4.320 -0.000 0.000 0.230 491 K C 2.013 178.614 176.600 0.002 0.000 0.775 491 K CA 2.318 58.606 56.287 0.002 0.000 0.954 491 K CB -0.801 31.700 32.500 0.003 0.000 0.501 491 K HN 0.480 nan 8.250 nan 0.000 0.853 492 A N 1.269 124.092 122.820 0.004 0.000 1.906 492 A HA -0.335 3.985 4.320 -0.000 0.000 0.222 492 A C 2.066 179.654 177.584 0.006 0.000 1.282 492 A CA 2.759 54.800 52.037 0.006 0.000 0.675 492 A CB -0.985 18.021 19.000 0.010 0.000 0.838 492 A HN 0.561 nan 8.150 nan 0.000 0.469 493 R N -0.392 120.113 120.500 0.008 0.000 2.159 493 R HA -0.258 4.082 4.340 -0.000 0.000 0.249 493 R C 2.110 178.413 176.300 0.005 0.000 1.136 493 R CA 2.208 58.314 56.100 0.010 0.000 0.951 493 R CB -0.994 29.314 30.300 0.012 0.000 0.876 493 R HN 0.693 nan 8.270 nan 0.000 0.440 494 K N 1.153 121.553 120.400 -0.000 0.000 2.059 494 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 494 K C 2.039 178.625 176.600 -0.023 0.000 1.050 494 K CA 1.932 58.213 56.287 -0.009 0.000 0.927 494 K CB -0.380 32.112 32.500 -0.013 0.000 0.714 494 K HN 0.177 nan 8.250 nan 0.000 0.447 495 R N -0.091 120.395 120.500 -0.024 0.000 2.159 495 R HA -0.233 4.107 4.340 -0.000 0.000 0.249 495 R C 2.331 178.610 176.300 -0.034 0.000 1.136 495 R CA 1.916 57.992 56.100 -0.039 0.000 0.951 495 R CB -1.050 29.242 30.300 -0.014 0.000 0.876 495 R HN 0.260 nan 8.270 nan 0.000 0.440 496 L N 1.647 122.867 121.223 -0.004 0.000 2.030 496 L HA -0.319 4.021 4.340 -0.000 0.000 0.222 496 L C 2.109 178.983 176.870 0.007 0.000 1.082 496 L CA 1.992 56.840 54.840 0.013 0.000 0.785 496 L CB -0.476 41.596 42.059 0.022 0.000 0.895 496 L HN 0.249 nan 8.230 nan 0.000 0.439 497 E N -1.205 118.993 120.200 -0.004 0.000 2.065 497 E HA -0.272 4.077 4.350 -0.000 0.000 0.201 497 E C 2.042 178.620 176.600 -0.036 0.000 1.016 497 E CA 2.131 58.528 56.400 -0.005 0.000 0.818 497 E CB -0.329 29.367 29.700 -0.008 0.000 0.749 497 E HN 0.494 nan 8.360 nan 0.000 0.453 498 V N 0.910 120.760 119.914 -0.107 0.000 2.261 498 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 498 V C 2.460 178.442 176.094 -0.188 0.000 1.047 498 V CA 1.591 63.742 62.300 -0.248 0.000 1.015 498 V CB -0.741 30.838 31.823 -0.408 0.000 0.642 498 V HN 0.118 nan 8.190 nan 0.000 0.446 499 V N 0.069 119.930 119.914 -0.088 0.000 2.231 499 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 499 V C 2.760 178.955 176.094 0.168 0.000 1.058 499 V CA 2.202 64.567 62.300 0.108 0.000 1.022 499 V CB -0.907 30.967 31.823 0.085 0.000 0.640 499 V HN 0.432 nan 8.190 nan 0.000 0.445 500 R N 0.449 121.006 120.500 0.095 0.000 2.132 500 R HA -0.202 4.138 4.340 -0.000 0.000 0.233 500 R C 2.460 178.834 176.300 0.124 0.000 1.125 500 R CA 2.089 58.248 56.100 0.097 0.000 0.914 500 R CB -1.675 28.668 30.300 0.071 0.000 0.845 500 R HN 0.550 nan 8.270 nan 0.000 0.431 501 A N 0.870 123.755 122.820 0.108 0.000 1.917 501 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 501 A C 2.160 179.874 177.584 0.217 0.000 1.182 501 A CA 1.426 53.534 52.037 0.118 0.000 0.633 501 A CB -0.677 18.366 19.000 0.071 0.000 0.819 501 A HN 0.207 nan 8.150 nan 0.000 0.448 502 F N -0.560 119.405 119.950 0.026 0.000 1.982 502 F HA -0.144 4.383 4.527 -0.000 0.000 0.296 502 F C 2.076 177.904 175.800 0.046 0.000 1.199 502 F CA 1.425 59.454 58.000 0.049 0.000 1.174 502 F CB -1.242 37.802 39.000 0.074 0.000 0.963 502 F HN 0.217 nan 8.300 nan 0.000 0.495 503 L N 0.616 121.993 121.223 0.256 0.000 2.369 503 L HA -0.212 4.128 4.340 -0.000 0.000 0.220 503 L C 0.264 177.185 176.870 0.085 0.000 1.119 503 L CA 1.481 56.394 54.840 0.123 0.000 0.780 503 L CB -1.171 40.959 42.059 0.119 0.000 0.906 503 L HN 0.062 nan 8.230 nan 0.000 0.442 504 D N -0.667 119.795 120.400 0.104 0.000 2.264 504 D HA 0.350 4.989 4.640 -0.000 0.000 0.250 504 D C 0.601 176.932 176.300 0.052 0.000 1.113 504 D CA 0.957 55.002 54.000 0.074 0.000 0.871 504 D CB 0.925 41.773 40.800 0.080 0.000 1.167 504 D HN 0.532 nan 8.370 nan 0.000 0.447 505 S N 1.852 117.572 115.700 0.034 0.000 2.924 505 S HA -0.196 4.274 4.470 -0.000 0.000 0.634 505 S C 0.833 175.435 174.600 0.004 0.000 3.063 505 S CA 0.196 58.407 58.200 0.018 0.000 3.276 505 S CB -1.464 61.745 63.200 0.015 0.000 0.332 505 S HN 0.946 nan 8.310 nan 0.000 1.789 506 G N 1.577 110.374 108.800 -0.005 0.000 2.202 506 G HA2 0.367 4.326 3.960 -0.000 0.000 0.251 506 G HA3 0.367 4.326 3.960 -0.000 0.000 0.251 506 G C 0.200 175.084 174.900 -0.027 0.000 1.219 506 G CA 0.773 45.863 45.100 -0.016 0.000 0.943 506 G HN 1.199 nan 8.290 nan 0.000 0.465 507 N N 1.054 119.723 118.700 -0.052 0.000 2.622 507 N HA 0.075 4.815 4.740 -0.000 0.000 0.236 507 N C -0.347 175.082 175.510 -0.134 0.000 1.670 507 N CA 0.333 53.321 53.050 -0.104 0.000 1.438 507 N CB -0.082 38.290 38.487 -0.191 0.000 1.812 507 N HN 0.986 nan 8.380 nan 0.000 0.991 508 R N -0.878 119.460 120.500 -0.270 0.000 1.933 508 R HA -0.072 4.268 4.340 -0.000 0.000 0.367 508 R C -2.676 173.506 176.300 -0.198 0.000 1.206 508 R CA 0.376 56.336 56.100 -0.234 0.000 1.060 508 R CB -2.400 27.826 30.300 -0.123 0.000 3.102 508 R HN 0.314 nan 8.270 nan 0.000 0.490 509 P HA -0.177 nan 4.420 nan 0.000 0.185 509 P C -0.189 176.907 177.300 -0.341 0.000 0.860 509 P CA 1.107 63.966 63.100 -0.401 0.000 1.176 509 P CB 0.115 31.519 31.700 -0.494 0.000 1.233 510 E N 1.714 121.850 120.200 -0.107 0.000 2.372 510 E HA 0.007 4.357 4.350 -0.000 0.000 0.201 510 E C 0.416 177.035 176.600 0.031 0.000 0.938 510 E CA -0.129 56.253 56.400 -0.031 0.000 0.944 510 E CB 0.017 29.745 29.700 0.048 0.000 0.937 510 E HN 0.565 nan 8.360 nan 0.000 0.495 511 W N 1.653 122.944 121.300 -0.016 0.000 2.514 511 W HA 0.138 4.798 4.660 -0.000 0.000 0.485 511 W C -0.184 176.344 176.519 0.014 0.000 0.971 511 W CA 0.291 57.641 57.345 0.008 0.000 1.763 511 W CB -1.144 28.334 29.460 0.030 0.000 1.572 511 W HN 0.029 nan 8.180 nan 0.000 0.374 512 M N 3.254 122.893 119.600 0.066 0.000 5.792 512 M HA -0.015 4.465 4.480 -0.000 0.000 0.684 512 M C -0.298 176.010 176.300 0.013 0.000 2.450 512 M CA -0.387 54.911 55.300 -0.004 0.000 0.241 512 M CB -0.104 32.428 32.600 -0.113 0.000 1.440 512 M HN -0.090 nan 8.290 nan 0.000 0.727 513 I N 1.940 122.543 120.570 0.056 0.000 2.989 513 I HA -0.113 4.056 4.170 -0.000 0.000 0.311 513 I C 0.155 176.290 176.117 0.030 0.000 1.221 513 I CA 0.592 61.920 61.300 0.046 0.000 1.449 513 I CB 0.097 38.137 38.000 0.066 0.000 1.325 513 I HN 0.294 nan 8.210 nan 0.000 0.557 514 L N 6.598 127.831 121.223 0.017 0.000 2.360 514 L HA 0.487 4.827 4.340 -0.000 0.000 0.265 514 L C 0.120 176.998 176.870 0.014 0.000 1.066 514 L CA 0.394 55.241 54.840 0.011 0.000 0.929 514 L CB -0.176 41.883 42.059 0.001 0.000 1.306 514 L HN 0.791 nan 8.230 nan 0.000 0.434 515 E N 2.321 122.533 120.200 0.021 0.000 6.731 515 E HA 0.446 4.796 4.350 -0.000 0.000 0.214 515 E C -0.819 175.797 176.600 0.027 0.000 0.977 515 E CA 0.061 56.472 56.400 0.018 0.000 1.484 515 E CB -1.426 28.279 29.700 0.009 0.000 0.885 515 E HN 1.095 nan 8.360 nan 0.000 0.332 516 A N 0.594 123.437 122.820 0.038 0.000 2.249 516 A HA 0.975 5.294 4.320 -0.000 0.000 0.281 516 A C 0.823 178.414 177.584 0.011 0.000 1.127 516 A CA 0.063 52.136 52.037 0.060 0.000 0.833 516 A CB 0.876 19.945 19.000 0.116 0.000 1.140 516 A HN 2.068 nan 8.150 nan 0.000 0.502 517 V N -1.982 117.930 119.914 -0.004 0.000 2.610 517 V HA 0.478 4.598 4.120 -0.000 0.000 0.288 517 V C -2.906 172.985 176.094 -0.338 0.000 1.055 517 V CA -1.463 60.759 62.300 -0.130 0.000 0.902 517 V CB 1.047 32.832 31.823 -0.063 0.000 1.030 517 V HN 0.813 nan 8.190 nan 0.000 0.448 518 P HA 0.357 nan 4.420 nan 0.000 0.272 518 P C 0.091 177.106 177.300 -0.474 0.000 1.240 518 P CA -0.003 62.197 63.100 -1.501 0.000 0.791 518 P CB 1.492 32.219 31.700 -1.621 0.000 0.978 519 V N 1.367 121.167 119.914 -0.190 0.000 3.264 519 V HA 0.081 4.201 4.120 -0.000 0.000 0.304 519 V C 1.686 177.741 176.094 -0.066 0.000 1.086 519 V CA -0.578 61.693 62.300 -0.049 0.000 1.090 519 V CB -0.367 31.484 31.823 0.046 0.000 1.112 519 V HN 0.412 nan 8.190 nan 0.000 0.472 520 L N 2.520 123.720 121.223 -0.038 0.000 2.294 520 L HA 0.079 4.419 4.340 -0.000 0.000 0.203 520 L C -0.781 176.077 176.870 -0.020 0.000 1.150 520 L CA -0.405 54.415 54.840 -0.034 0.000 0.847 520 L CB -0.304 41.742 42.059 -0.022 0.000 1.231 520 L HN 0.550 nan 8.230 nan 0.000 0.568 521 P HA 0.058 nan 4.420 nan 0.000 0.217 521 P C -1.868 175.431 177.300 -0.002 0.000 1.154 521 P CA 0.766 63.861 63.100 -0.008 0.000 0.841 521 P CB -1.060 30.634 31.700 -0.010 0.000 0.790 522 P HA 0.298 nan 4.420 nan 0.000 0.259 522 P C -0.182 177.118 177.300 -0.001 0.000 1.635 522 P CA 1.352 64.449 63.100 -0.004 0.000 1.199 522 P CB -1.168 30.528 31.700 -0.007 0.000 1.850 537 T N 1.235 115.787 114.554 -0.004 0.000 3.163 537 T HA 0.210 4.560 4.350 -0.000 0.000 0.252 537 T C 1.487 176.188 174.700 0.003 0.000 1.056 537 T CA 0.957 63.055 62.100 -0.003 0.000 0.947 537 T CB -0.159 68.708 68.868 -0.002 0.000 1.016 537 T HN 0.507 nan 8.240 nan 0.000 0.554 538 S N 1.792 117.493 115.700 0.002 0.000 2.406 538 S HA -0.168 4.302 4.470 -0.000 0.000 0.211 538 S C 1.660 176.263 174.600 0.005 0.000 1.045 538 S CA 0.928 59.132 58.200 0.007 0.000 1.058 538 S CB -0.457 62.745 63.200 0.003 0.000 1.044 538 S HN 0.639 nan 8.310 nan 0.000 0.413 539 D N 0.676 121.073 120.400 -0.004 0.000 2.334 539 D HA -0.289 4.351 4.640 -0.000 0.000 0.592 539 D C 1.637 177.925 176.300 -0.019 0.000 0.617 539 D CA 2.170 56.162 54.000 -0.013 0.000 1.629 539 D CB -0.848 39.940 40.800 -0.020 0.000 0.206 539 D HN 0.243 nan 8.370 nan 0.000 0.248 540 L N 2.422 123.628 121.223 -0.028 0.000 2.054 540 L HA -0.265 4.075 4.340 -0.000 0.000 0.220 540 L C 2.135 178.996 176.870 -0.015 0.000 1.081 540 L CA 2.707 57.513 54.840 -0.056 0.000 0.780 540 L CB -1.228 40.807 42.059 -0.040 0.000 0.893 540 L HN 0.266 nan 8.230 nan 0.000 0.438 541 N N 0.034 118.764 118.700 0.049 0.000 2.089 541 N HA -0.276 4.464 4.740 -0.000 0.000 0.198 541 N C 1.522 177.076 175.510 0.073 0.000 1.017 541 N CA 1.999 55.103 53.050 0.090 0.000 0.880 541 N CB -0.616 37.904 38.487 0.056 0.000 1.042 541 N HN 0.586 nan 8.380 nan 0.000 0.446 542 D N 1.231 121.646 120.400 0.025 0.000 2.137 542 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 542 D C 2.343 178.647 176.300 0.007 0.000 0.993 542 D CA 0.783 54.791 54.000 0.014 0.000 0.846 542 D CB -0.450 40.346 40.800 -0.005 0.000 0.990 542 D HN 0.169 nan 8.370 nan 0.000 0.448 543 L N 0.030 121.222 121.223 -0.051 0.000 2.058 543 L HA -0.265 4.075 4.340 -0.000 0.000 0.226 543 L C 2.189 179.041 176.870 -0.030 0.000 1.089 543 L CA 1.483 56.264 54.840 -0.098 0.000 0.799 543 L CB -0.825 41.095 42.059 -0.231 0.000 0.900 543 L HN 0.232 nan 8.230 nan 0.000 0.442 544 Y N -0.098 120.203 120.300 0.000 0.000 2.497 544 Y HA -0.102 4.448 4.550 -0.000 0.000 0.345 544 Y C 2.021 177.921 175.900 0.000 0.000 1.204 544 Y CA -0.120 57.981 58.100 0.001 0.000 1.265 544 Y CB -0.170 38.290 38.460 -0.000 0.000 1.121 544 Y HN 0.326 nan 8.280 nan 0.000 0.493 545 R N -0.824 119.759 120.500 0.138 0.000 3.578 545 R HA 0.072 4.412 4.340 -0.000 0.000 0.131 545 R C 1.812 178.144 176.300 0.053 0.000 0.722 545 R CA -0.269 55.880 56.100 0.081 0.000 1.328 545 R CB -0.537 29.799 30.300 0.060 0.000 1.650 545 R HN 0.053 nan 8.270 nan 0.000 0.485 546 R N 1.002 121.524 120.500 0.038 0.000 2.211 546 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 546 R C 1.774 178.090 176.300 0.027 0.000 1.144 546 R CA 1.584 57.697 56.100 0.022 0.000 0.992 546 R CB -0.131 30.172 30.300 0.007 0.000 0.869 546 R HN 0.354 nan 8.270 nan 0.000 0.462 547 L N 0.330 121.580 121.223 0.045 0.000 2.084 547 L HA -0.058 4.282 4.340 -0.000 0.000 0.202 547 L C 1.937 178.838 176.870 0.051 0.000 1.074 547 L CA 1.288 56.160 54.840 0.053 0.000 0.757 547 L CB -0.350 41.762 42.059 0.089 0.000 0.918 547 L HN 0.012 nan 8.230 nan 0.000 0.444 548 I N 0.588 121.194 120.570 0.060 0.000 2.076 548 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 548 I C 1.718 177.852 176.117 0.028 0.000 1.059 548 I CA 1.605 62.930 61.300 0.042 0.000 1.317 548 I CB -1.894 36.129 38.000 0.039 0.000 1.037 548 I HN 0.418 nan 8.210 nan 0.000 0.398 549 N N 0.747 119.463 118.700 0.026 0.000 2.678 549 N HA -0.115 4.625 4.740 -0.000 0.000 0.199 549 N C 1.379 176.899 175.510 0.016 0.000 1.353 549 N CA 0.013 53.074 53.050 0.018 0.000 0.916 549 N CB 0.296 38.792 38.487 0.017 0.000 1.057 549 N HN 0.249 nan 8.380 nan 0.000 0.449 550 R N -0.163 120.349 120.500 0.019 0.000 2.568 550 R HA 0.131 4.471 4.340 -0.000 0.000 0.254 550 R C 0.892 177.202 176.300 0.016 0.000 0.925 550 R CA 0.047 56.156 56.100 0.016 0.000 1.025 550 R CB -0.275 30.035 30.300 0.017 0.000 1.428 550 R HN 0.272 nan 8.270 nan 0.000 0.573 551 N N 0.552 119.263 118.700 0.019 0.000 2.424 551 N HA -0.030 4.710 4.740 -0.000 0.000 0.178 551 N C 0.515 176.032 175.510 0.012 0.000 1.060 551 N CA 0.356 53.416 53.050 0.018 0.000 0.901 551 N CB 0.308 38.808 38.487 0.022 0.000 0.979 551 N HN 0.118 nan 8.380 nan 0.000 0.451 552 N N 0.832 119.539 118.700 0.012 0.000 2.395 552 N HA 0.005 4.744 4.740 -0.000 0.000 0.175 552 N C 0.628 176.142 175.510 0.007 0.000 1.029 552 N CA 0.321 53.376 53.050 0.008 0.000 0.897 552 N CB -0.056 38.436 38.487 0.008 0.000 0.991 552 N HN 0.188 nan 8.380 nan 0.000 0.441 553 R N 0.921 121.426 120.500 0.008 0.000 2.389 553 R HA 0.111 4.451 4.340 -0.000 0.000 0.210 553 R C 0.817 177.120 176.300 0.005 0.000 1.157 553 R CA 0.321 56.425 56.100 0.006 0.000 1.169 553 R CB -0.026 30.278 30.300 0.006 0.000 1.004 553 R HN 0.293 nan 8.270 nan 0.000 0.482 554 L N -2.224 119.002 121.223 0.005 0.000 2.877 554 L HA 0.077 4.416 4.340 -0.000 0.000 0.275 554 L C 1.483 178.355 176.870 0.003 0.000 1.027 554 L CA -0.109 54.734 54.840 0.004 0.000 1.135 554 L CB -0.074 41.988 42.059 0.005 0.000 2.080 554 L HN -0.164 nan 8.230 nan 0.000 0.560 555 K N 1.261 121.664 120.400 0.004 0.000 2.519 555 K HA -0.056 4.264 4.320 -0.000 0.000 0.196 555 K C 1.440 178.042 176.600 0.002 0.000 1.041 555 K CA 1.334 57.623 56.287 0.003 0.000 0.954 555 K CB 0.105 32.608 32.500 0.004 0.000 0.774 555 K HN 0.236 nan 8.250 nan 0.000 0.480 556 K N -1.719 118.683 120.400 0.002 0.000 2.485 556 K HA 0.130 4.450 4.320 -0.000 0.000 0.200 556 K C 0.034 176.635 176.600 0.001 0.000 1.344 556 K CA -0.068 56.220 56.287 0.002 0.000 0.948 556 K CB 0.111 32.612 32.500 0.002 0.000 1.454 556 K HN -0.045 nan 8.250 nan 0.000 0.502 557 L N 2.453 123.677 121.223 0.002 0.000 2.912 557 L HA 0.208 4.547 4.340 -0.000 0.000 0.246 557 L C 0.290 177.160 176.870 0.001 0.000 1.371 557 L CA 0.746 55.587 54.840 0.001 0.000 1.196 557 L CB -0.713 41.347 42.059 0.002 0.000 1.596 557 L HN 0.225 nan 8.230 nan 0.000 0.429 558 L N -0.860 120.363 121.223 0.001 0.000 1.998 558 L HA 0.262 4.602 4.340 -0.000 0.000 0.194 558 L C 1.828 178.698 176.870 -0.000 0.000 1.198 558 L CA 0.647 55.487 54.840 0.000 0.000 1.134 558 L CB -0.304 41.755 42.059 0.000 0.000 2.366 558 L HN 0.208 nan 8.230 nan 0.000 0.504 559 A N -0.040 122.780 122.820 -0.000 0.000 2.248 559 A HA -0.027 4.293 4.320 -0.000 0.000 0.210 559 A C 1.210 178.794 177.584 -0.001 0.000 1.174 559 A CA 1.161 53.197 52.037 -0.001 0.000 0.750 559 A CB -0.163 18.837 19.000 -0.001 0.000 0.780 559 A HN 0.551 nan 8.150 nan 0.000 0.478 560 Q N -1.626 118.174 119.800 -0.000 0.000 3.011 560 Q HA 0.384 4.724 4.340 -0.000 0.000 0.223 560 Q C 0.904 176.904 176.000 -0.000 0.000 1.127 560 Q CA -0.504 55.299 55.803 -0.000 0.000 0.412 560 Q CB -0.320 28.418 28.738 -0.000 0.000 5.323 560 Q HN 0.378 nan 8.270 nan 0.000 0.286 561 G N 0.278 109.078 108.800 -0.000 0.000 2.460 561 G HA2 0.268 4.227 3.960 -0.000 0.000 0.230 561 G HA3 0.268 4.227 3.960 -0.000 0.000 0.230 561 G C -0.194 174.706 174.900 -0.000 0.000 1.248 561 G CA 0.608 45.708 45.100 -0.000 0.000 0.863 561 G HN 0.493 nan 8.290 nan 0.000 0.549 562 A N 2.861 125.681 122.820 -0.000 0.000 3.214 562 A HA 0.524 4.844 4.320 -0.000 0.000 0.203 562 A C -0.581 177.002 177.584 -0.001 0.000 0.960 562 A CA 0.037 52.074 52.037 -0.001 0.000 1.113 562 A CB 0.679 19.678 19.000 -0.001 0.000 1.280 562 A HN 0.559 nan 8.150 nan 0.000 0.573 563 P HA -0.132 nan 4.420 nan 0.000 0.220 563 P C 0.778 178.078 177.300 -0.001 0.000 1.148 563 P CA 1.628 64.728 63.100 -0.000 0.000 0.803 563 P CB 0.423 32.123 31.700 -0.000 0.000 0.782 564 E N -2.132 118.068 120.200 -0.000 0.000 4.512 564 E HA -0.214 4.136 4.350 -0.000 0.000 0.162 564 E C 1.400 178.000 176.600 -0.000 0.000 1.118 564 E CA 1.181 57.581 56.400 -0.001 0.000 2.523 564 E CB -1.651 28.048 29.700 -0.001 0.000 1.694 564 E HN 0.029 nan 8.360 nan 0.000 0.524 565 I N 1.388 121.958 120.570 -0.000 0.000 3.010 565 I HA -0.114 4.056 4.170 -0.000 0.000 0.271 565 I C 1.556 177.673 176.117 0.000 0.000 1.293 565 I CA 1.112 62.412 61.300 -0.000 0.000 1.452 565 I CB -0.517 37.483 38.000 -0.000 0.000 1.082 565 I HN 0.275 nan 8.210 nan 0.000 0.484 566 I N -0.090 120.480 120.570 0.000 0.000 3.621 566 I HA 0.153 4.322 4.170 -0.000 0.000 0.325 566 I C 1.109 177.226 176.117 0.001 0.000 1.554 566 I CA 0.413 61.714 61.300 0.001 0.000 1.053 566 I CB 1.393 39.393 38.000 0.001 0.000 1.302 566 I HN 0.027 nan 8.210 nan 0.000 0.518 567 I N 0.133 120.703 120.570 0.001 0.000 4.592 567 I HA 0.152 4.322 4.170 -0.000 0.000 0.329 567 I C 2.065 178.183 176.117 0.001 0.000 1.309 567 I CA 0.600 61.900 61.300 0.001 0.000 1.243 567 I CB 0.309 38.309 38.000 0.000 0.000 1.241 567 I HN 0.087 nan 8.210 nan 0.000 0.434 568 R N 1.633 122.133 120.500 0.000 0.000 2.041 568 R HA 0.073 4.413 4.340 -0.000 0.000 0.221 568 R C 1.704 178.005 176.300 0.001 0.000 1.196 568 R CA 1.479 57.579 56.100 0.000 0.000 0.969 568 R CB -1.263 29.037 30.300 -0.000 0.000 0.858 568 R HN 0.444 nan 8.270 nan 0.000 0.444 569 N N 1.614 120.315 118.700 0.001 0.000 2.364 569 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 569 N C 0.959 176.471 175.510 0.003 0.000 1.022 569 N CA 0.958 54.009 53.050 0.002 0.000 0.883 569 N CB -0.151 38.337 38.487 0.002 0.000 0.965 569 N HN 0.183 nan 8.380 nan 0.000 0.438 570 E N 0.404 120.606 120.200 0.003 0.000 2.511 570 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 570 E C 1.234 177.837 176.600 0.004 0.000 1.066 570 E CA 0.310 56.712 56.400 0.003 0.000 0.871 570 E CB 0.199 29.901 29.700 0.003 0.000 0.863 570 E HN 0.585 nan 8.360 nan 0.000 0.520 571 K N 0.678 121.081 120.400 0.004 0.000 2.313 571 K HA 0.008 4.327 4.320 -0.000 0.000 0.197 571 K C 1.983 178.586 176.600 0.005 0.000 1.061 571 K CA 0.034 56.324 56.287 0.005 0.000 0.980 571 K CB 0.308 32.809 32.500 0.003 0.000 0.888 571 K HN -0.061 nan 8.250 nan 0.000 0.502 572 R N 0.186 120.689 120.500 0.005 0.000 2.316 572 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 572 R C 1.515 177.819 176.300 0.006 0.000 1.137 572 R CA 1.592 57.695 56.100 0.005 0.000 1.012 572 R CB -0.266 30.036 30.300 0.004 0.000 0.859 572 R HN 0.190 nan 8.270 nan 0.000 0.474 573 M N -0.331 119.273 119.600 0.007 0.000 2.615 573 M HA 0.101 4.581 4.480 -0.000 0.000 0.262 573 M C 1.724 178.030 176.300 0.010 0.000 1.198 573 M CA 0.090 55.395 55.300 0.007 0.000 1.165 573 M CB -0.003 32.601 32.600 0.006 0.000 1.310 573 M HN 0.149 nan 8.290 nan 0.000 0.494 574 L N 1.585 122.815 121.223 0.012 0.000 1.951 574 L HA -0.303 4.037 4.340 -0.000 0.000 0.222 574 L C 2.528 179.410 176.870 0.019 0.000 1.078 574 L CA 2.412 57.262 54.840 0.016 0.000 0.778 574 L CB -0.998 41.070 42.059 0.015 0.000 0.893 574 L HN 0.435 nan 8.230 nan 0.000 0.436 575 Q N -0.743 119.068 119.800 0.018 0.000 2.152 575 Q HA -0.319 4.021 4.340 -0.000 0.000 0.206 575 Q C 2.156 178.167 176.000 0.019 0.000 0.985 575 Q CA 2.220 58.036 55.803 0.022 0.000 0.863 575 Q CB -0.392 28.358 28.738 0.020 0.000 0.904 575 Q HN 0.748 nan 8.270 nan 0.000 0.422 576 E N -0.288 119.920 120.200 0.014 0.000 2.209 576 E HA -0.146 4.203 4.350 -0.000 0.000 0.196 576 E C 1.189 177.792 176.600 0.005 0.000 0.993 576 E CA 1.031 57.436 56.400 0.009 0.000 0.819 576 E CB -0.099 29.605 29.700 0.006 0.000 0.745 576 E HN 0.523 nan 8.360 nan 0.000 0.477 577 A N -0.327 122.499 122.820 0.010 0.000 2.302 577 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 577 A C 1.360 178.951 177.584 0.012 0.000 1.243 577 A CA 0.165 52.207 52.037 0.008 0.000 0.856 577 A CB 0.376 19.386 19.000 0.017 0.000 0.893 577 A HN 0.158 nan 8.150 nan 0.000 0.491 578 V N -1.363 118.560 119.914 0.015 0.000 3.103 578 V HA 0.041 4.161 4.120 -0.000 0.000 0.229 578 V C 0.352 176.454 176.094 0.012 0.000 1.304 578 V CA 0.381 62.696 62.300 0.025 0.000 1.298 578 V CB -0.256 31.593 31.823 0.043 0.000 1.093 578 V HN 0.316 nan 8.190 nan 0.000 0.489 579 D N 1.330 121.739 120.400 0.015 0.000 2.948 579 D HA 0.498 5.138 4.640 -0.000 0.000 0.241 579 D C 0.644 176.942 176.300 -0.002 0.000 1.198 579 D CA 0.950 54.958 54.000 0.013 0.000 0.926 579 D CB 0.457 41.268 40.800 0.018 0.000 1.151 579 D HN 0.471 nan 8.370 nan 0.000 0.441 580 A N -1.413 121.396 122.820 -0.018 0.000 1.554 580 A HA 0.008 4.327 4.320 -0.000 0.000 0.198 580 A C 1.786 179.326 177.584 -0.075 0.000 1.649 580 A CA -0.065 51.949 52.037 -0.038 0.000 1.362 580 A CB -0.187 18.792 19.000 -0.035 0.000 1.254 580 A HN 0.094 nan 8.150 nan 0.000 0.492 581 V N 2.143 121.992 119.914 -0.107 0.000 2.250 581 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 581 V C 1.889 177.886 176.094 -0.161 0.000 1.060 581 V CA 2.391 64.558 62.300 -0.222 0.000 1.030 581 V CB -0.837 30.819 31.823 -0.278 0.000 0.643 581 V HN 0.522 nan 8.190 nan 0.000 0.445 582 I N -0.674 119.852 120.570 -0.074 0.000 2.556 582 I HA -0.035 4.134 4.170 -0.000 0.000 0.177 582 I C 0.737 176.835 176.117 -0.030 0.000 1.387 582 I CA 0.035 61.317 61.300 -0.029 0.000 0.595 582 I CB -0.437 37.570 38.000 0.012 0.000 1.857 582 I HN 0.122 nan 8.210 nan 0.000 1.071 583 D N 3.314 123.709 120.400 -0.007 0.000 2.501 583 D HA -0.106 4.534 4.640 -0.000 0.000 0.268 583 D C 0.312 176.605 176.300 -0.011 0.000 1.361 583 D CA 0.447 54.444 54.000 -0.005 0.000 1.258 583 D CB -0.658 40.148 40.800 0.010 0.000 1.136 583 D HN 0.325 nan 8.370 nan 0.000 0.528 584 N N 1.421 120.105 118.700 -0.025 0.000 2.944 584 N HA -0.061 4.679 4.740 -0.000 0.000 0.288 584 N C 0.415 175.916 175.510 -0.015 0.000 1.334 584 N CA -0.003 53.031 53.050 -0.027 0.000 1.063 584 N CB -0.254 38.207 38.487 -0.042 0.000 1.386 584 N HN 0.271 nan 8.380 nan 0.000 0.552 585 G N 0.524 109.320 108.800 -0.006 0.000 4.464 585 G HA2 0.224 4.184 3.960 -0.000 0.000 0.297 585 G HA3 0.224 4.184 3.960 -0.000 0.000 0.297 585 G C -0.026 174.875 174.900 0.001 0.000 1.342 585 G CA -0.455 44.644 45.100 -0.001 0.000 1.335 585 G HN 0.302 nan 8.290 nan 0.000 0.609 586 R N 0.671 121.170 120.500 -0.001 0.000 2.566 586 R HA 0.312 4.652 4.340 -0.000 0.000 0.271 586 R C 1.247 177.547 176.300 -0.001 0.000 1.071 586 R CA -0.771 55.330 56.100 0.001 0.000 0.915 586 R CB 0.978 31.281 30.300 0.004 0.000 1.228 586 R HN 0.238 nan 8.270 nan 0.000 0.449 587 R N 1.939 122.439 120.500 0.000 0.000 3.962 587 R HA -0.223 4.117 4.340 -0.000 0.000 0.309 587 R C -0.006 176.292 176.300 -0.003 0.000 1.272 587 R CA 1.888 57.988 56.100 -0.001 0.000 0.967 587 R CB -2.599 27.701 30.300 -0.000 0.000 1.330 587 R HN 1.267 nan 8.270 nan 0.000 0.563 588 G N -0.592 108.205 108.800 -0.005 0.000 2.915 588 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.686 588 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.686 588 G C -0.210 174.684 174.900 -0.009 0.000 1.414 588 G CA 0.495 45.591 45.100 -0.007 0.000 1.053 588 G HN 1.726 nan 8.290 nan 0.000 0.598 589 S N 2.788 118.480 115.700 -0.013 0.000 2.385 589 S HA 0.666 5.135 4.470 -0.000 0.000 0.191 589 S C -1.461 173.129 174.600 -0.017 0.000 1.196 589 S CA -0.008 58.183 58.200 -0.014 0.000 1.178 589 S CB 3.056 66.245 63.200 -0.018 0.000 1.258 589 S HN 0.752 nan 8.310 nan 0.000 0.430 590 P HA 0.456 nan 4.420 nan 0.000 0.302 590 P C -0.221 177.071 177.300 -0.013 0.000 1.393 590 P CA -0.129 62.963 63.100 -0.014 0.000 0.818 590 P CB 0.523 32.216 31.700 -0.010 0.000 1.974 591 V N -1.947 117.961 119.914 -0.010 0.000 3.204 591 V HA 0.386 4.506 4.120 -0.000 0.000 0.298 591 V C -1.237 174.853 176.094 -0.006 0.000 1.328 591 V CA 0.287 62.582 62.300 -0.008 0.000 1.035 591 V CB 1.030 32.848 31.823 -0.008 0.000 1.095 591 V HN 0.911 nan 8.190 nan 0.000 0.442 592 T N 1.543 116.094 114.554 -0.004 0.000 2.898 592 T HA -0.163 4.187 4.350 -0.000 0.000 0.464 592 T C 0.004 174.702 174.700 -0.003 0.000 0.778 592 T CA 1.155 63.254 62.100 -0.003 0.000 2.398 592 T CB -2.049 66.817 68.868 -0.003 0.000 1.647 592 T HN 0.863 nan 8.240 nan 0.000 0.549 593 N N 3.261 121.959 118.700 -0.003 0.000 2.364 593 N HA 0.414 5.154 4.740 -0.000 0.000 0.264 593 N C -0.121 175.388 175.510 -0.002 0.000 1.263 593 N CA -0.928 52.121 53.050 -0.003 0.000 0.959 593 N CB 0.663 39.148 38.487 -0.003 0.000 1.204 593 N HN 0.525 nan 8.380 nan 0.000 0.550 594 P HA 0.092 nan 4.420 nan 0.000 0.228 594 P C 0.475 177.774 177.300 -0.002 0.000 1.166 594 P CA 0.143 63.242 63.100 -0.002 0.000 0.812 594 P CB 0.019 31.718 31.700 -0.001 0.000 0.857 595 G N 2.116 110.915 108.800 -0.002 0.000 2.341 595 G HA2 0.069 4.029 3.960 -0.000 0.000 0.231 595 G HA3 0.069 4.029 3.960 -0.000 0.000 0.231 595 G C 0.436 175.334 174.900 -0.003 0.000 1.206 595 G CA 0.237 45.336 45.100 -0.002 0.000 0.865 595 G HN 0.482 nan 8.290 nan 0.000 0.515 596 S N 1.023 116.721 115.700 -0.003 0.000 2.559 596 S HA 0.345 4.814 4.470 -0.000 0.000 0.282 596 S C 0.202 174.799 174.600 -0.004 0.000 1.336 596 S CA 0.702 58.901 58.200 -0.003 0.000 1.037 596 S CB 1.644 64.843 63.200 -0.003 0.000 0.853 596 S HN 0.947 nan 8.310 nan 0.000 0.523 597 E N 0.329 120.526 120.200 -0.005 0.000 1.894 597 E HA 0.309 4.659 4.350 -0.000 0.000 0.215 597 E C -1.409 175.187 176.600 -0.007 0.000 1.642 597 E CA -0.941 55.456 56.400 -0.006 0.000 1.032 597 E CB 0.766 30.463 29.700 -0.006 0.000 1.625 597 E HN 0.739 nan 8.360 nan 0.000 0.591 598 R N 1.581 122.076 120.500 -0.008 0.000 2.393 598 R HA 0.428 4.767 4.340 -0.000 0.000 0.310 598 R C -2.083 174.210 176.300 -0.012 0.000 0.968 598 R CA -1.694 54.401 56.100 -0.009 0.000 0.867 598 R CB 1.309 31.603 30.300 -0.010 0.000 1.124 598 R HN 0.348 nan 8.270 nan 0.000 0.450 599 P HA -0.023 nan 4.420 nan 0.000 0.286 599 P C -0.642 176.645 177.300 -0.020 0.000 1.278 599 P CA 0.082 63.172 63.100 -0.016 0.000 0.785 599 P CB 0.612 32.303 31.700 -0.016 0.000 1.269 600 L N -1.041 120.166 121.223 -0.027 0.000 2.362 600 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 600 L C 0.716 177.562 176.870 -0.040 0.000 1.002 600 L CA -1.337 53.483 54.840 -0.033 0.000 0.818 600 L CB 1.360 43.395 42.059 -0.040 0.000 1.298 600 L HN 0.115 nan 8.230 nan 0.000 0.420 601 R N 2.048 122.524 120.500 -0.040 0.000 2.498 601 R HA 0.083 4.422 4.340 -0.000 0.000 0.334 601 R C 0.511 176.774 176.300 -0.062 0.000 1.106 601 R CA -0.067 56.007 56.100 -0.043 0.000 0.995 601 R CB -0.344 29.935 30.300 -0.036 0.000 0.989 601 R HN 0.865 nan 8.270 nan 0.000 0.455 602 S N 1.653 117.315 115.700 -0.063 0.000 2.850 602 S HA -0.092 4.377 4.470 -0.000 0.000 0.252 602 S C 1.337 175.884 174.600 -0.089 0.000 1.410 602 S CA -0.269 57.882 58.200 -0.082 0.000 1.006 602 S CB 0.329 63.494 63.200 -0.058 0.000 0.912 602 S HN 0.460 nan 8.310 nan 0.000 0.533 603 L N 0.038 121.210 121.223 -0.085 0.000 2.408 603 L HA 0.200 4.539 4.340 -0.000 0.000 0.215 603 L C 2.489 179.337 176.870 -0.037 0.000 1.081 603 L CA 1.286 56.090 54.840 -0.059 0.000 0.840 603 L CB -0.893 41.138 42.059 -0.047 0.000 1.002 603 L HN 0.835 nan 8.230 nan 0.000 0.468 604 T N -1.371 113.164 114.554 -0.033 0.000 3.085 604 T HA -0.101 4.248 4.350 -0.000 0.000 0.263 604 T C 1.424 176.102 174.700 -0.037 0.000 1.127 604 T CA 0.807 62.894 62.100 -0.023 0.000 1.103 604 T CB -0.113 68.753 68.868 -0.003 0.000 0.921 604 T HN 0.279 nan 8.240 nan 0.000 0.510 605 D N 0.816 121.191 120.400 -0.042 0.000 2.347 605 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 605 D C 1.269 177.534 176.300 -0.059 0.000 0.985 605 D CA 0.556 54.530 54.000 -0.044 0.000 0.879 605 D CB 0.186 40.963 40.800 -0.040 0.000 0.919 605 D HN 0.323 nan 8.370 nan 0.000 0.526 606 I N 0.244 120.773 120.570 -0.069 0.000 3.462 606 I HA 0.034 4.204 4.170 -0.000 0.000 0.290 606 I C 1.032 177.059 176.117 -0.150 0.000 1.236 606 I CA 0.300 61.548 61.300 -0.086 0.000 1.418 606 I CB 0.321 38.283 38.000 -0.064 0.000 1.102 606 I HN -0.083 nan 8.210 nan 0.000 0.441 607 L N -0.128 121.002 121.223 -0.156 0.000 2.960 607 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 607 L C -0.204 176.568 176.870 -0.162 0.000 1.327 607 L CA -0.000 54.678 54.840 -0.270 0.000 0.860 607 L CB -0.015 41.907 42.059 -0.229 0.000 1.239 607 L HN 0.078 nan 8.230 nan 0.000 0.551 608 S N -0.772 114.866 115.700 -0.103 0.000 2.710 608 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 608 S C 0.098 174.696 174.600 -0.003 0.000 1.029 608 S CA 0.015 58.212 58.200 -0.005 0.000 0.864 608 S CB -0.228 62.988 63.200 0.027 0.000 1.103 608 S HN 1.394 nan 8.310 nan 0.000 0.460 609 G N 2.645 111.460 108.800 0.025 0.000 2.581 609 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.289 609 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.289 609 G C -0.671 174.225 174.900 -0.007 0.000 1.303 609 G CA 0.496 45.604 45.100 0.012 0.000 0.931 609 G HN 1.233 nan 8.290 nan 0.000 0.555 610 K N 0.727 121.120 120.400 -0.012 0.000 2.472 610 K HA 0.021 4.340 4.320 -0.000 0.000 0.269 610 K C 0.927 177.510 176.600 -0.028 0.000 1.056 610 K CA 1.172 57.447 56.287 -0.020 0.000 1.158 610 K CB -0.060 32.429 32.500 -0.019 0.000 0.821 610 K HN 0.648 nan 8.250 nan 0.000 0.486 611 Q N -0.392 119.389 119.800 -0.032 0.000 2.426 611 Q HA -0.211 4.129 4.340 -0.000 0.000 0.359 611 Q C 0.049 176.019 176.000 -0.050 0.000 1.381 611 Q CA 0.616 56.396 55.803 -0.038 0.000 1.060 611 Q CB -1.209 27.508 28.738 -0.035 0.000 1.253 611 Q HN 0.824 nan 8.270 nan 0.000 0.363 612 G N -0.100 108.666 108.800 -0.055 0.000 2.417 612 G HA2 0.359 4.319 3.960 -0.000 0.000 0.334 612 G HA3 0.359 4.319 3.960 -0.000 0.000 0.334 612 G C 0.687 175.509 174.900 -0.130 0.000 1.150 612 G CA -0.687 44.354 45.100 -0.098 0.000 0.923 612 G HN 0.196 nan 8.290 nan 0.000 0.485 613 R N 0.698 121.063 120.500 -0.225 0.000 2.267 613 R HA -0.150 4.190 4.340 -0.000 0.000 0.259 613 R C 1.313 177.553 176.300 -0.101 0.000 1.192 613 R CA 1.193 57.156 56.100 -0.228 0.000 1.013 613 R CB -0.509 29.579 30.300 -0.353 0.000 0.877 613 R HN 0.677 nan 8.270 nan 0.000 0.474 614 F N -0.746 119.179 119.950 -0.043 0.000 2.692 614 F HA 0.175 4.701 4.527 -0.000 0.000 0.303 614 F C 1.866 177.607 175.800 -0.098 0.000 1.114 614 F CA -0.231 57.727 58.000 -0.070 0.000 1.361 614 F CB 0.325 39.295 39.000 -0.050 0.000 1.063 614 F HN -0.048 nan 8.300 nan 0.000 0.550 615 R N -0.756 119.778 120.500 0.056 0.000 2.562 615 R HA 0.045 4.385 4.340 -0.000 0.000 0.191 615 R C 0.608 176.887 176.300 -0.035 0.000 0.835 615 R CA -0.267 55.824 56.100 -0.016 0.000 1.036 615 R CB 0.090 30.372 30.300 -0.029 0.000 1.437 615 R HN 0.115 nan 8.270 nan 0.000 0.654 616 Q N 1.696 121.476 119.800 -0.033 0.000 2.247 616 Q HA -0.074 4.265 4.340 -0.000 0.000 0.288 616 Q C -0.674 175.304 176.000 -0.036 0.000 1.079 616 Q CA 0.922 56.702 55.803 -0.038 0.000 0.932 616 Q CB 0.321 29.035 28.738 -0.041 0.000 1.133 616 Q HN 0.251 nan 8.270 nan 0.000 0.377 617 N N 1.898 120.572 118.700 -0.044 0.000 2.301 617 N HA -0.218 4.522 4.740 -0.000 0.000 0.207 617 N C 0.649 176.120 175.510 -0.065 0.000 1.659 617 N CA 1.163 54.184 53.050 -0.049 0.000 3.518 617 N CB -1.277 37.184 38.487 -0.044 0.000 1.382 617 N HN 0.463 nan 8.380 nan 0.000 1.025 618 L N 0.638 121.817 121.223 -0.073 0.000 2.043 618 L HA -0.100 4.239 4.340 -0.000 0.000 0.212 618 L C 0.887 177.705 176.870 -0.088 0.000 1.075 618 L CA 1.247 56.028 54.840 -0.098 0.000 0.752 618 L CB -0.334 41.655 42.059 -0.116 0.000 0.891 618 L HN 0.229 nan 8.230 nan 0.000 0.432 619 L N -1.325 119.855 121.223 -0.072 0.000 2.682 619 L HA 0.296 4.636 4.340 -0.000 0.000 0.209 619 L C 1.164 178.002 176.870 -0.054 0.000 1.195 619 L CA 0.458 55.261 54.840 -0.062 0.000 0.869 619 L CB -0.325 41.702 42.059 -0.053 0.000 1.599 619 L HN -0.052 nan 8.230 nan 0.000 0.518 620 G N -0.717 108.057 108.800 -0.043 0.000 2.570 620 G HA2 0.443 4.403 3.960 -0.000 0.000 0.276 620 G HA3 0.443 4.403 3.960 -0.000 0.000 0.276 620 G C -0.715 174.168 174.900 -0.029 0.000 1.346 620 G CA -0.154 44.925 45.100 -0.034 0.000 1.034 620 G HN 0.477 nan 8.290 nan 0.000 0.512 621 K N -1.919 118.471 120.400 -0.017 0.000 2.672 621 K HA 0.245 4.565 4.320 -0.000 0.000 0.295 621 K C -1.015 175.591 176.600 0.009 0.000 1.042 621 K CA -0.954 55.327 56.287 -0.011 0.000 0.869 621 K CB 1.534 34.023 32.500 -0.018 0.000 1.541 621 K HN 0.205 nan 8.250 nan 0.000 0.396 622 R N 1.835 122.341 120.500 0.010 0.000 2.565 622 R HA 0.206 4.546 4.340 -0.000 0.000 0.286 622 R C -0.644 175.679 176.300 0.038 0.000 1.256 622 R CA -0.385 55.729 56.100 0.024 0.000 1.238 622 R CB 0.077 30.382 30.300 0.008 0.000 1.153 622 R HN 0.282 nan 8.270 nan 0.000 0.553 623 V N 2.868 122.831 119.914 0.082 0.000 2.475 623 V HA -0.129 3.990 4.120 -0.000 0.000 0.292 623 V C 1.057 177.213 176.094 0.103 0.000 1.003 623 V CA 0.372 62.743 62.300 0.118 0.000 1.120 623 V CB 0.155 32.127 31.823 0.249 0.000 0.937 623 V HN 0.480 nan 8.190 nan 0.000 0.476 624 D N 4.604 125.030 120.400 0.043 0.000 2.801 624 D HA 0.141 4.781 4.640 -0.000 0.000 0.232 624 D C -0.006 176.230 176.300 -0.106 0.000 1.128 624 D CA 0.407 54.372 54.000 -0.058 0.000 1.003 624 D CB -0.547 40.170 40.800 -0.138 0.000 1.110 624 D HN 0.687 nan 8.370 nan 0.000 0.477 625 Y N -0.820 119.523 120.300 0.073 0.000 3.309 625 Y HA -0.004 4.546 4.550 -0.000 0.000 0.295 625 Y C 0.121 176.064 175.900 0.071 0.000 1.002 625 Y CA -0.474 57.670 58.100 0.074 0.000 1.303 625 Y CB -0.105 38.396 38.460 0.069 0.000 1.310 625 Y HN 0.127 nan 8.280 nan 0.000 0.623 626 S N -0.478 115.338 115.700 0.194 0.000 2.837 626 S HA 0.963 5.433 4.470 -0.000 0.000 0.314 626 S C -0.276 174.334 174.600 0.018 0.000 1.098 626 S CA 0.025 58.245 58.200 0.034 0.000 0.903 626 S CB 2.004 65.056 63.200 -0.246 0.000 1.310 626 S HN 0.420 nan 8.310 nan 0.000 0.581 627 G N 0.493 109.260 108.800 -0.054 0.000 2.596 627 G HA2 0.521 4.481 3.960 -0.000 0.000 0.296 627 G HA3 0.521 4.481 3.960 -0.000 0.000 0.296 627 G C -1.702 173.171 174.900 -0.045 0.000 1.513 627 G CA -0.753 44.336 45.100 -0.018 0.000 0.851 627 G HN 0.680 nan 8.290 nan 0.000 0.548 628 R N -0.291 120.193 120.500 -0.026 0.000 3.055 628 R HA 0.936 5.276 4.340 -0.000 0.000 0.231 628 R C -0.231 176.069 176.300 -0.001 0.000 1.443 628 R CA -0.723 55.364 56.100 -0.022 0.000 1.063 628 R CB 1.881 32.167 30.300 -0.023 0.000 1.514 628 R HN 0.882 nan 8.270 nan 0.000 0.510 629 S N -1.131 114.572 115.700 0.006 0.000 2.719 629 S HA 0.066 4.536 4.470 -0.000 0.000 0.272 629 S C -1.572 173.041 174.600 0.022 0.000 0.964 629 S CA -0.812 57.396 58.200 0.013 0.000 0.944 629 S CB 0.587 63.796 63.200 0.014 0.000 1.199 629 S HN 0.236 nan 8.310 nan 0.000 0.461 630 V N 3.676 123.605 119.914 0.026 0.000 2.637 630 V HA 0.335 4.454 4.120 -0.000 0.000 0.296 630 V C 0.813 176.945 176.094 0.063 0.000 1.046 630 V CA 0.124 62.449 62.300 0.041 0.000 1.066 630 V CB 0.111 31.957 31.823 0.040 0.000 0.968 630 V HN 0.664 nan 8.190 nan 0.000 0.483 631 I N 3.150 123.776 120.570 0.094 0.000 2.970 631 I HA 0.790 4.960 4.170 -0.000 0.000 0.310 631 I C -0.448 175.825 176.117 0.261 0.000 1.010 631 I CA -0.524 60.869 61.300 0.154 0.000 1.228 631 I CB 1.412 39.500 38.000 0.146 0.000 1.433 631 I HN 0.284 nan 8.210 nan 0.000 0.573 632 V N 3.275 123.364 119.914 0.293 0.000 2.969 632 V HA 0.205 4.325 4.120 -0.000 0.000 0.304 632 V C -0.416 175.561 176.094 -0.194 0.000 1.192 632 V CA -0.846 61.514 62.300 0.100 0.000 0.962 632 V CB 2.215 34.016 31.823 -0.037 0.000 1.045 632 V HN 0.658 nan 8.190 nan 0.000 0.428 633 V N 3.964 123.183 119.914 -1.160 0.000 2.585 633 V HA 0.735 4.854 4.120 -0.000 0.000 0.296 633 V C 0.498 176.315 176.094 -0.462 0.000 1.035 633 V CA 1.218 62.800 62.300 -1.197 0.000 1.084 633 V CB 0.800 31.800 31.823 -1.372 0.000 0.953 633 V HN 1.167 nan 8.190 nan 0.000 0.483 634 G N 6.588 115.235 108.800 -0.254 0.000 2.733 634 G HA2 0.565 4.525 3.960 -0.000 0.000 0.289 634 G HA3 0.565 4.525 3.960 -0.000 0.000 0.289 634 G C -3.265 171.540 174.900 -0.158 0.000 1.473 634 G CA -1.108 43.868 45.100 -0.206 0.000 1.123 634 G HN 0.590 nan 8.290 nan 0.000 0.544 635 P HA 0.161 nan 4.420 nan 0.000 0.244 635 P C 0.404 177.577 177.300 -0.211 0.000 1.769 635 P CA -0.011 62.951 63.100 -0.230 0.000 1.102 635 P CB 0.695 32.157 31.700 -0.397 0.000 1.937 636 Q N 1.453 121.146 119.800 -0.179 0.000 2.798 636 Q HA 0.241 4.581 4.340 -0.000 0.000 0.439 636 Q C 1.879 177.774 176.000 -0.176 0.000 1.114 636 Q CA 0.254 55.960 55.803 -0.161 0.000 0.485 636 Q CB -0.951 27.704 28.738 -0.137 0.000 5.061 636 Q HN 0.214 nan 8.270 nan 0.000 0.311 637 L N -0.250 120.893 121.223 -0.134 0.000 2.715 637 L HA 0.489 4.828 4.340 -0.000 0.000 0.238 637 L C 0.716 177.451 176.870 -0.225 0.000 1.212 637 L CA 0.621 55.391 54.840 -0.116 0.000 1.017 637 L CB -2.475 39.590 42.059 0.010 0.000 1.269 637 L HN 0.586 nan 8.230 nan 0.000 0.452 638 K N 0.789 120.886 120.400 -0.505 0.000 5.169 638 K HA 0.033 4.352 4.320 -0.000 0.000 0.333 638 K C 0.289 176.502 176.600 -0.645 0.000 0.752 638 K CA 1.192 56.604 56.287 -1.458 0.000 0.945 638 K CB -2.576 29.329 32.500 -0.991 0.000 1.981 638 K HN 2.075 nan 8.250 nan 0.000 0.368 639 L N -1.744 119.438 121.223 -0.068 0.000 0.584 639 L HA -0.201 4.139 4.340 -0.000 0.000 0.356 639 L C 0.835 177.902 176.870 0.329 0.000 1.004 639 L CA 0.769 55.822 54.840 0.354 0.000 1.223 639 L CB -1.243 40.967 42.059 0.251 0.000 0.014 639 L HN 1.468 nan 8.230 nan 0.000 0.091 640 H N -1.127 118.116 119.070 0.289 0.000 4.738 640 H HA -0.171 4.385 4.556 -0.000 0.000 0.073 640 H C 0.444 175.897 175.328 0.208 0.000 0.608 640 H CA 2.368 58.516 56.048 0.167 0.000 0.964 640 H CB -0.501 29.284 29.762 0.038 0.000 0.423 640 H HN 0.638 nan 8.280 nan 0.000 0.797 641 Q N -0.124 119.786 119.800 0.183 0.000 2.207 641 Q HA 0.586 4.926 4.340 -0.000 0.000 0.237 641 Q C -0.678 175.222 176.000 -0.166 0.000 0.998 641 Q CA -0.148 55.663 55.803 0.014 0.000 0.951 641 Q CB 2.927 31.661 28.738 -0.006 0.000 1.213 641 Q HN 0.340 nan 8.270 nan 0.000 0.499 642 C N -1.173 118.029 119.300 -0.163 0.000 3.241 642 C HA 0.701 5.161 4.460 -0.000 0.000 0.312 642 C C 1.021 175.915 174.990 -0.160 0.000 1.350 642 C CA -0.161 58.711 59.018 -0.243 0.000 1.415 642 C CB 1.270 28.924 27.740 -0.143 0.000 1.770 642 C HN 1.009 nan 8.230 nan 0.000 0.466 643 G N 0.590 109.302 108.800 -0.147 0.000 2.948 643 G HA2 0.394 4.354 3.960 -0.000 0.000 0.174 643 G HA3 0.394 4.354 3.960 -0.000 0.000 0.174 643 G C -0.079 174.761 174.900 -0.100 0.000 1.839 643 G CA 0.374 45.407 45.100 -0.112 0.000 0.908 643 G HN 1.136 nan 8.290 nan 0.000 0.419 644 L N -0.043 121.135 121.223 -0.075 0.000 2.262 644 L HA -0.081 4.259 4.340 -0.000 0.000 0.667 644 L C -2.546 174.267 176.870 -0.095 0.000 1.023 644 L CA -0.926 53.871 54.840 -0.071 0.000 1.375 644 L CB -1.187 40.822 42.059 -0.083 0.000 2.104 644 L HN 0.268 nan 8.230 nan 0.000 0.981 645 P HA -0.078 nan 4.420 nan 0.000 0.263 645 P C 0.628 177.856 177.300 -0.120 0.000 1.175 645 P CA 0.248 63.296 63.100 -0.086 0.000 0.761 645 P CB 0.522 32.197 31.700 -0.041 0.000 0.794 646 K N 3.713 123.986 120.400 -0.213 0.000 2.063 646 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 646 K C 1.798 178.313 176.600 -0.141 0.000 1.048 646 K CA 1.184 57.262 56.287 -0.350 0.000 0.928 646 K CB -0.418 31.623 32.500 -0.765 0.000 0.713 646 K HN 0.043 nan 8.250 nan 0.000 0.442 647 R N 1.754 122.250 120.500 -0.007 0.000 2.133 647 R HA -0.126 4.213 4.340 -0.000 0.000 0.247 647 R C 2.355 178.742 176.300 0.145 0.000 1.151 647 R CA 2.273 58.475 56.100 0.171 0.000 0.971 647 R CB -0.487 29.889 30.300 0.127 0.000 0.866 647 R HN 0.703 nan 8.270 nan 0.000 0.447 648 M N -3.304 116.338 119.600 0.071 0.000 2.509 648 M HA 0.347 4.827 4.480 -0.000 0.000 0.250 648 M C 1.803 178.154 176.300 0.085 0.000 1.132 648 M CA 1.164 56.514 55.300 0.082 0.000 1.080 648 M CB 0.327 32.960 32.600 0.056 0.000 1.408 648 M HN 0.027 nan 8.290 nan 0.000 0.484 649 A N 1.479 124.314 122.820 0.025 0.000 1.968 649 A HA 0.004 4.323 4.320 -0.000 0.000 0.217 649 A C 2.107 179.726 177.584 0.059 0.000 1.169 649 A CA 1.038 53.044 52.037 -0.051 0.000 0.638 649 A CB -0.631 18.255 19.000 -0.190 0.000 0.812 649 A HN 0.550 nan 8.150 nan 0.000 0.446 650 L N -0.245 121.083 121.223 0.174 0.000 1.989 650 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 650 L C 2.251 179.267 176.870 0.243 0.000 1.071 650 L CA 2.567 57.576 54.840 0.282 0.000 0.749 650 L CB -0.492 41.803 42.059 0.393 0.000 0.890 650 L HN 0.366 nan 8.230 nan 0.000 0.431 651 E N -0.415 119.912 120.200 0.213 0.000 2.047 651 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 651 E C 2.193 178.963 176.600 0.284 0.000 0.987 651 E CA 1.104 57.629 56.400 0.209 0.000 0.799 651 E CB -0.292 29.503 29.700 0.160 0.000 0.752 651 E HN 0.340 nan 8.360 nan 0.000 0.449 652 L N 0.034 121.450 121.223 0.322 0.000 2.012 652 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 652 L C 2.136 179.304 176.870 0.497 0.000 1.073 652 L CA 1.558 56.649 54.840 0.420 0.000 0.748 652 L CB -1.281 41.051 42.059 0.455 0.000 0.891 652 L HN 0.133 nan 8.230 nan 0.000 0.431 653 F N -0.655 119.386 119.950 0.152 0.000 2.765 653 F HA 0.113 4.640 4.527 -0.000 0.000 0.302 653 F C 1.986 177.969 175.800 0.305 0.000 1.111 653 F CA -0.493 57.636 58.000 0.214 0.000 1.359 653 F CB -0.794 38.268 39.000 0.103 0.000 1.097 653 F HN 0.062 nan 8.300 nan 0.000 0.577 654 K N 1.213 121.858 120.400 0.408 0.000 2.007 654 K HA -0.285 4.035 4.320 -0.000 0.000 0.231 654 K C -0.738 176.006 176.600 0.241 0.000 1.044 654 K CA 2.783 59.236 56.287 0.276 0.000 0.996 654 K CB -1.280 31.344 32.500 0.207 0.000 0.738 654 K HN 0.078 nan 8.250 nan 0.000 0.447 655 P HA -0.193 nan 4.420 nan 0.000 0.216 655 P C 1.088 178.417 177.300 0.048 0.000 1.167 655 P CA 1.891 65.037 63.100 0.077 0.000 0.914 655 P CB -0.155 31.567 31.700 0.037 0.000 0.793 656 F N -1.710 118.309 119.950 0.115 0.000 2.225 656 F HA -0.209 4.318 4.527 -0.000 0.000 0.302 656 F C 2.112 177.998 175.800 0.144 0.000 1.068 656 F CA 0.883 58.949 58.000 0.109 0.000 1.327 656 F CB -0.998 38.063 39.000 0.103 0.000 1.043 656 F HN -0.053 nan 8.300 nan 0.000 0.506 657 L N -0.301 121.115 121.223 0.323 0.000 1.958 657 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 657 L C 2.041 178.995 176.870 0.141 0.000 1.139 657 L CA 1.204 56.182 54.840 0.230 0.000 0.815 657 L CB -1.303 40.884 42.059 0.215 0.000 0.910 657 L HN 0.120 nan 8.230 nan 0.000 0.456 658 L N -0.241 121.044 121.223 0.103 0.000 2.500 658 L HA -0.498 3.842 4.340 -0.000 0.000 0.237 658 L C 2.549 179.444 176.870 0.041 0.000 1.254 658 L CA 2.309 57.181 54.840 0.052 0.000 0.793 658 L CB -1.614 40.463 42.059 0.030 0.000 1.065 658 L HN 0.486 nan 8.230 nan 0.000 0.408 659 K N 0.188 120.606 120.400 0.029 0.000 2.173 659 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 659 K C 1.864 178.493 176.600 0.049 0.000 1.046 659 K CA 2.144 58.444 56.287 0.022 0.000 0.929 659 K CB -0.176 32.326 32.500 0.003 0.000 0.720 659 K HN 0.224 nan 8.250 nan 0.000 0.453 660 K N 0.787 121.236 120.400 0.081 0.000 1.965 660 K HA -0.048 4.272 4.320 -0.000 0.000 0.214 660 K C 2.217 178.874 176.600 0.095 0.000 1.046 660 K CA 1.977 58.325 56.287 0.101 0.000 0.944 660 K CB -0.461 32.120 32.500 0.135 0.000 0.726 660 K HN 0.084 nan 8.250 nan 0.000 0.441 661 M N 0.815 120.480 119.600 0.107 0.000 2.124 661 M HA -0.277 4.203 4.480 -0.000 0.000 0.253 661 M C 2.236 178.583 176.300 0.079 0.000 1.077 661 M CA 2.021 57.399 55.300 0.131 0.000 1.085 661 M CB -0.597 32.063 32.600 0.100 0.000 1.320 661 M HN 0.336 nan 8.290 nan 0.000 0.404 662 E N 0.668 120.885 120.200 0.029 0.000 2.012 662 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 662 E C 1.757 178.373 176.600 0.026 0.000 1.007 662 E CA 1.850 58.251 56.400 0.002 0.000 0.816 662 E CB -0.253 29.441 29.700 -0.009 0.000 0.762 662 E HN 0.580 nan 8.360 nan 0.000 0.451 663 E N 0.247 120.469 120.200 0.035 0.000 2.204 663 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 663 E C 1.837 178.470 176.600 0.054 0.000 0.990 663 E CA 0.963 57.386 56.400 0.038 0.000 0.821 663 E CB -0.023 29.700 29.700 0.038 0.000 0.750 663 E HN -0.082 nan 8.360 nan 0.000 0.477 664 K N -0.167 120.278 120.400 0.075 0.000 2.520 664 K HA -0.129 4.191 4.320 -0.000 0.000 0.197 664 K C 0.843 177.508 176.600 0.109 0.000 1.043 664 K CA 1.043 57.388 56.287 0.096 0.000 0.944 664 K CB -0.251 32.329 32.500 0.132 0.000 0.770 664 K HN 0.275 nan 8.250 nan 0.000 0.480 665 A N -2.039 120.835 122.820 0.090 0.000 4.152 665 A HA -0.278 4.042 4.320 -0.000 0.000 0.256 665 A C 0.557 178.220 177.584 0.131 0.000 0.844 665 A CA 1.039 53.127 52.037 0.084 0.000 1.324 665 A CB -2.417 16.629 19.000 0.076 0.000 1.032 665 A HN 0.398 nan 8.150 nan 0.000 0.773 666 F N 0.439 120.389 119.950 0.000 0.000 2.450 666 F HA 0.523 5.050 4.527 -0.000 0.000 0.339 666 F C 0.876 176.671 175.800 -0.008 0.000 1.146 666 F CA 0.462 58.459 58.000 -0.005 0.000 1.267 666 F CB 0.548 39.544 39.000 -0.008 0.000 1.178 666 F HN 2.178 nan 8.300 nan 0.000 0.585 667 A N 5.095 127.299 122.820 -1.027 0.000 2.423 667 A HA -0.102 4.218 4.320 -0.000 0.000 0.682 667 A C -1.911 175.486 177.584 -0.312 0.000 0.145 667 A CA -0.147 51.419 52.037 -0.785 0.000 0.058 667 A CB -1.953 16.596 19.000 -0.752 0.000 3.950 667 A HN 0.658 nan 8.150 nan 0.000 0.545 668 P HA -0.167 nan 4.420 nan 0.000 0.208 668 P C 0.587 177.830 177.300 -0.095 0.000 1.180 668 P CA 1.722 64.750 63.100 -0.119 0.000 0.935 668 P CB 0.029 31.670 31.700 -0.099 0.000 0.785 669 N N -1.862 116.781 118.700 -0.095 0.000 2.457 669 N HA 0.140 4.880 4.740 -0.000 0.000 0.290 669 N C 1.152 176.617 175.510 -0.074 0.000 1.232 669 N CA -0.477 52.532 53.050 -0.069 0.000 0.852 669 N CB 2.059 40.513 38.487 -0.054 0.000 1.313 669 N HN -0.324 nan 8.380 nan 0.000 0.522 670 V N 1.926 121.809 119.914 -0.052 0.000 2.427 670 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 670 V C 2.007 178.074 176.094 -0.045 0.000 1.051 670 V CA 1.340 63.614 62.300 -0.044 0.000 1.048 670 V CB -0.384 31.421 31.823 -0.029 0.000 0.666 670 V HN 0.625 nan 8.190 nan 0.000 0.456 671 K N 1.227 121.602 120.400 -0.042 0.000 2.209 671 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 671 K C 2.078 178.649 176.600 -0.049 0.000 1.048 671 K CA 1.496 57.760 56.287 -0.039 0.000 0.940 671 K CB -0.749 31.730 32.500 -0.035 0.000 0.729 671 K HN 0.483 nan 8.250 nan 0.000 0.451 672 A N 1.447 124.227 122.820 -0.066 0.000 2.067 672 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 672 A C 2.317 179.841 177.584 -0.101 0.000 1.156 672 A CA 1.180 53.165 52.037 -0.088 0.000 0.683 672 A CB -0.315 18.616 19.000 -0.115 0.000 0.808 672 A HN 0.293 nan 8.150 nan 0.000 0.455 673 A N 0.186 122.954 122.820 -0.086 0.000 1.821 673 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 673 A C 2.179 179.734 177.584 -0.048 0.000 1.216 673 A CA 1.578 53.571 52.037 -0.075 0.000 0.615 673 A CB -0.715 18.259 19.000 -0.043 0.000 0.862 673 A HN 0.314 nan 8.150 nan 0.000 0.450 674 R N 0.102 120.585 120.500 -0.027 0.000 2.196 674 R HA -0.231 4.109 4.340 -0.000 0.000 0.259 674 R C 2.234 178.522 176.300 -0.021 0.000 1.154 674 R CA 2.426 58.518 56.100 -0.014 0.000 0.976 674 R CB -0.833 29.461 30.300 -0.010 0.000 0.888 674 R HN 0.648 nan 8.270 nan 0.000 0.453 675 R N -0.526 119.955 120.500 -0.032 0.000 2.090 675 R HA 0.014 4.354 4.340 -0.000 0.000 0.228 675 R C 2.430 178.708 176.300 -0.037 0.000 1.110 675 R CA 1.320 57.402 56.100 -0.031 0.000 0.973 675 R CB -0.234 30.046 30.300 -0.033 0.000 0.869 675 R HN 0.261 nan 8.270 nan 0.000 0.440 676 M N 0.464 120.032 119.600 -0.053 0.000 2.446 676 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 676 M C 0.790 177.066 176.300 -0.039 0.000 1.066 676 M CA 1.461 56.727 55.300 -0.056 0.000 1.087 676 M CB 0.270 32.808 32.600 -0.103 0.000 1.406 676 M HN 0.197 nan 8.290 nan 0.000 0.459 677 L N -1.461 119.740 121.223 -0.037 0.000 2.609 677 L HA 0.136 4.476 4.340 -0.000 0.000 0.230 677 L C 1.757 178.610 176.870 -0.028 0.000 1.087 677 L CA 0.116 54.931 54.840 -0.042 0.000 0.874 677 L CB -0.292 41.747 42.059 -0.033 0.000 1.114 677 L HN 0.232 nan 8.230 nan 0.000 0.488 678 E N 1.345 121.533 120.200 -0.021 0.000 2.485 678 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 678 E C 0.959 177.552 176.600 -0.012 0.000 1.098 678 E CA -0.133 56.260 56.400 -0.012 0.000 0.878 678 E CB 0.219 29.911 29.700 -0.012 0.000 0.939 678 E HN 0.298 nan 8.360 nan 0.000 0.503 679 R N 1.174 121.663 120.500 -0.017 0.000 4.054 679 R HA -0.074 4.266 4.340 -0.000 0.000 0.227 679 R C 0.908 177.203 176.300 -0.008 0.000 1.902 679 R CA 0.724 56.816 56.100 -0.014 0.000 1.590 679 R CB -0.569 29.721 30.300 -0.016 0.000 1.245 679 R HN 0.409 nan 8.270 nan 0.000 0.647 680 Q N -1.356 118.442 119.800 -0.004 0.000 1.829 680 Q HA -0.360 3.980 4.340 -0.000 0.000 0.170 680 Q C -0.471 175.533 176.000 0.007 0.000 2.943 680 Q CA 1.708 57.513 55.803 0.003 0.000 0.197 680 Q CB -0.897 27.843 28.738 0.004 0.000 0.216 680 Q HN 0.423 nan 8.270 nan 0.000 0.361 681 R N 0.953 121.455 120.500 0.004 0.000 2.629 681 R HA 0.410 4.750 4.340 -0.000 0.000 0.266 681 R C -1.741 174.560 176.300 0.000 0.000 1.051 681 R CA -0.138 55.968 56.100 0.009 0.000 0.895 681 R CB 1.557 31.870 30.300 0.022 0.000 1.246 681 R HN 0.426 nan 8.270 nan 0.000 0.459 682 D N 2.477 122.875 120.400 -0.003 0.000 3.244 682 D HA -0.086 4.554 4.640 -0.000 0.000 0.213 682 D C -1.254 175.004 176.300 -0.071 0.000 1.229 682 D CA 0.186 54.177 54.000 -0.014 0.000 0.619 682 D CB 0.059 40.858 40.800 -0.002 0.000 0.406 682 D HN 0.435 nan 8.370 nan 0.000 0.172 683 I N 2.030 122.508 120.570 -0.153 0.000 2.577 683 I HA 0.334 4.504 4.170 -0.000 0.000 0.305 683 I C 0.935 176.895 176.117 -0.261 0.000 0.986 683 I CA -0.825 60.300 61.300 -0.292 0.000 1.189 683 I CB 1.540 39.140 38.000 -0.668 0.000 1.355 683 I HN 0.036 nan 8.210 nan 0.000 0.476 684 K N 3.016 123.290 120.400 -0.211 0.000 2.098 684 K HA 0.151 4.471 4.320 -0.000 0.000 0.261 684 K C 0.329 176.820 176.600 -0.181 0.000 0.987 684 K CA -0.295 55.903 56.287 -0.148 0.000 0.916 684 K CB 1.210 33.648 32.500 -0.103 0.000 1.039 684 K HN 0.486 nan 8.250 nan 0.000 0.455 685 D N 2.156 122.510 120.400 -0.077 0.000 2.192 685 D HA -0.253 4.387 4.640 -0.000 0.000 0.189 685 D C 1.118 177.375 176.300 -0.071 0.000 1.007 685 D CA 1.762 55.759 54.000 -0.006 0.000 0.859 685 D CB 0.087 40.889 40.800 0.003 0.000 0.936 685 D HN 0.625 nan 8.370 nan 0.000 0.447 686 E N 0.023 120.110 120.200 -0.188 0.000 2.352 686 E HA -0.170 4.180 4.350 -0.000 0.000 0.203 686 E C 2.004 178.456 176.600 -0.247 0.000 1.024 686 E CA 0.651 56.865 56.400 -0.310 0.000 0.842 686 E CB 0.078 29.390 29.700 -0.647 0.000 0.753 686 E HN 0.219 nan 8.360 nan 0.000 0.508 687 V N -0.585 119.219 119.914 -0.182 0.000 2.391 687 V HA -0.110 4.010 4.120 -0.000 0.000 0.237 687 V C 1.816 177.918 176.094 0.013 0.000 1.046 687 V CA 0.999 63.238 62.300 -0.101 0.000 1.053 687 V CB -0.792 30.906 31.823 -0.208 0.000 0.704 687 V HN 0.383 nan 8.190 nan 0.000 0.475 688 W N 0.898 122.194 121.300 -0.007 0.000 2.257 688 W HA -0.275 4.385 4.660 -0.000 0.000 0.325 688 W C 1.184 177.693 176.519 -0.018 0.000 1.296 688 W CA 1.105 58.442 57.345 -0.013 0.000 1.297 688 W CB -0.356 29.090 29.460 -0.024 0.000 1.131 688 W HN 0.285 nan 8.180 nan 0.000 0.492 689 D N -0.032 120.511 120.400 0.238 0.000 2.826 689 D HA 0.127 4.767 4.640 -0.000 0.000 0.229 689 D C 0.722 177.086 176.300 0.106 0.000 1.091 689 D CA 0.824 54.897 54.000 0.121 0.000 1.061 689 D CB -0.235 40.596 40.800 0.052 0.000 1.155 689 D HN 0.200 nan 8.370 nan 0.000 0.450 690 A N 0.000 122.914 122.820 0.157 0.000 1.949 690 A HA 0.101 4.421 4.320 -0.000 0.000 0.200 690 A C 1.672 179.337 177.584 0.136 0.000 2.254 690 A CA -0.195 51.927 52.037 0.142 0.000 1.206 690 A CB -0.381 18.715 19.000 0.161 0.000 1.110 690 A HN 0.208 nan 8.150 nan 0.000 0.628 691 L N 0.389 121.705 121.223 0.155 0.000 2.187 691 L HA 0.027 4.367 4.340 -0.000 0.000 0.213 691 L C 1.830 178.723 176.870 0.039 0.000 1.100 691 L CA 2.185 57.071 54.840 0.076 0.000 0.765 691 L CB -1.394 40.670 42.059 0.007 0.000 0.904 691 L HN 0.583 nan 8.230 nan 0.000 0.437 692 E N -0.189 120.047 120.200 0.059 0.000 2.393 692 E HA -0.269 4.081 4.350 -0.000 0.000 0.201 692 E C 2.009 178.642 176.600 0.055 0.000 1.025 692 E CA 1.183 57.602 56.400 0.031 0.000 0.856 692 E CB 0.129 29.852 29.700 0.039 0.000 0.771 692 E HN 0.770 nan 8.360 nan 0.000 0.526 693 E N -1.645 118.596 120.200 0.069 0.000 2.399 693 E HA -0.022 4.328 4.350 -0.000 0.000 0.206 693 E C 1.678 178.351 176.600 0.122 0.000 0.812 693 E CA 0.172 56.610 56.400 0.064 0.000 1.138 693 E CB 0.449 30.165 29.700 0.027 0.000 1.140 693 E HN 0.039 nan 8.360 nan 0.000 0.536 694 V N 1.944 121.933 119.914 0.125 0.000 2.216 694 V HA -0.277 3.843 4.120 -0.000 0.000 0.243 694 V C 2.434 178.624 176.094 0.159 0.000 1.044 694 V CA 1.924 64.326 62.300 0.170 0.000 0.995 694 V CB -0.539 31.414 31.823 0.217 0.000 0.633 694 V HN 0.328 nan 8.190 nan 0.000 0.446 695 I N -0.465 120.134 120.570 0.049 0.000 2.141 695 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 695 I C 1.526 177.669 176.117 0.045 0.000 1.035 695 I CA 1.593 62.863 61.300 -0.051 0.000 1.302 695 I CB -0.696 37.169 38.000 -0.225 0.000 1.006 695 I HN 0.459 nan 8.210 nan 0.000 0.413 696 H N 0.922 119.985 119.070 -0.012 0.000 3.173 696 H HA -0.038 4.517 4.556 -0.000 0.000 0.241 696 H C 1.042 176.378 175.328 0.015 0.000 0.781 696 H CA 0.873 56.921 56.048 0.001 0.000 1.436 696 H CB -0.302 29.468 29.762 0.013 0.000 1.406 696 H HN 0.503 nan 8.280 nan 0.000 0.491 697 G N 3.413 112.005 108.800 -0.348 0.000 2.279 697 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.223 697 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.223 697 G C 0.194 175.040 174.900 -0.090 0.000 1.015 697 G CA 0.124 45.103 45.100 -0.201 0.000 0.621 697 G HN 0.661 nan 8.290 nan 0.000 0.506 698 K N 1.156 121.532 120.400 -0.039 0.000 2.205 698 K HA 0.577 4.897 4.320 -0.000 0.000 0.279 698 K C 0.719 177.317 176.600 -0.003 0.000 1.027 698 K CA -0.034 56.250 56.287 -0.006 0.000 0.932 698 K CB 2.296 34.834 32.500 0.064 0.000 1.032 698 K HN 0.564 nan 8.250 nan 0.000 0.466 699 V N -0.510 119.397 119.914 -0.012 0.000 3.211 699 V HA 0.672 4.792 4.120 -0.000 0.000 0.319 699 V C -0.307 175.819 176.094 0.053 0.000 1.096 699 V CA -0.778 61.523 62.300 0.003 0.000 1.029 699 V CB 1.759 33.559 31.823 -0.039 0.000 1.137 699 V HN 0.391 nan 8.190 nan 0.000 0.453 700 V N 1.801 121.771 119.914 0.094 0.000 2.668 700 V HA 0.394 4.513 4.120 -0.000 0.000 0.304 700 V C -0.536 175.648 176.094 0.150 0.000 1.071 700 V CA -0.493 61.883 62.300 0.126 0.000 0.894 700 V CB 1.504 33.432 31.823 0.175 0.000 1.008 700 V HN 0.821 nan 8.190 nan 0.000 0.425 701 L N 5.237 126.534 121.223 0.123 0.000 2.462 701 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 701 L C -0.090 176.908 176.870 0.213 0.000 1.166 701 L CA 0.688 55.607 54.840 0.132 0.000 0.880 701 L CB 0.277 42.399 42.059 0.104 0.000 1.142 701 L HN 0.392 nan 8.230 nan 0.000 0.473 702 L N 4.264 125.655 121.223 0.280 0.000 2.317 702 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 702 L C -0.365 176.610 176.870 0.176 0.000 1.024 702 L CA -0.243 54.803 54.840 0.344 0.000 0.810 702 L CB 1.495 43.966 42.059 0.687 0.000 1.240 702 L HN 0.774 nan 8.230 nan 0.000 0.427 703 N N 2.776 121.512 118.700 0.060 0.000 2.405 703 N HA 0.658 5.397 4.740 -0.000 0.000 0.285 703 N C -1.322 174.062 175.510 -0.209 0.000 1.262 703 N CA -0.610 52.354 53.050 -0.143 0.000 0.773 703 N CB 1.931 40.413 38.487 -0.009 0.000 1.490 703 N HN 0.504 nan 8.380 nan 0.000 0.486 704 R N 1.667 121.965 120.500 -0.335 0.000 2.621 704 R HA 0.808 5.148 4.340 -0.000 0.000 0.284 704 R C 0.365 176.568 176.300 -0.161 0.000 0.998 704 R CA 0.026 55.990 56.100 -0.226 0.000 0.895 704 R CB 1.000 31.129 30.300 -0.286 0.000 1.195 704 R HN 0.778 nan 8.270 nan 0.000 0.450 705 A N 5.193 127.958 122.820 -0.091 0.000 2.892 705 A HA -0.141 4.179 4.320 -0.000 0.000 0.300 705 A C -1.412 176.125 177.584 -0.078 0.000 0.747 705 A CA 1.386 53.383 52.037 -0.066 0.000 1.284 705 A CB -2.107 16.866 19.000 -0.045 0.000 0.659 705 A HN 0.801 nan 8.150 nan 0.000 0.469 706 P HA 0.140 nan 4.420 nan 0.000 0.263 706 P C -0.856 176.379 177.300 -0.110 0.000 1.195 706 P CA 0.646 63.706 63.100 -0.068 0.000 0.762 706 P CB 0.135 31.809 31.700 -0.044 0.000 0.799 707 T N 4.852 119.334 114.554 -0.121 0.000 3.145 707 T HA 0.396 4.746 4.350 -0.000 0.000 0.362 707 T C 0.440 175.034 174.700 -0.176 0.000 1.340 707 T CA -0.412 61.581 62.100 -0.180 0.000 1.069 707 T CB -0.280 68.487 68.868 -0.167 0.000 1.129 707 T HN 0.226 nan 8.240 nan 0.000 0.585 708 L N 4.912 126.008 121.223 -0.212 0.000 2.334 708 L HA 0.509 4.849 4.340 -0.000 0.000 0.277 708 L C 0.820 177.492 176.870 -0.330 0.000 1.075 708 L CA -1.065 53.694 54.840 -0.135 0.000 0.804 708 L CB 0.389 42.449 42.059 0.002 0.000 1.174 708 L HN 0.795 nan 8.230 nan 0.000 0.438 709 H N 2.151 121.201 119.070 -0.033 0.000 3.988 709 H HA -0.244 4.311 4.556 -0.000 0.000 0.248 709 H C 0.826 176.142 175.328 -0.020 0.000 0.591 709 H CA 0.611 56.645 56.048 -0.024 0.000 0.715 709 H CB -0.208 29.546 29.762 -0.014 0.000 1.148 709 H HN 0.839 nan 8.280 nan 0.000 0.302 710 R N 2.159 122.720 120.500 0.102 0.000 2.134 710 R HA -0.117 4.223 4.340 -0.000 0.000 0.248 710 R C 1.879 178.190 176.300 0.019 0.000 1.143 710 R CA 2.330 58.454 56.100 0.040 0.000 0.957 710 R CB -0.538 29.807 30.300 0.075 0.000 0.867 710 R HN 0.597 nan 8.270 nan 0.000 0.441 711 L N 1.586 122.917 121.223 0.180 0.000 2.834 711 L HA -0.011 4.329 4.340 -0.000 0.000 0.252 711 L C 2.065 178.928 176.870 -0.012 0.000 1.152 711 L CA 0.560 55.513 54.840 0.188 0.000 0.898 711 L CB -0.571 41.720 42.059 0.386 0.000 1.078 711 L HN 0.604 nan 8.230 nan 0.000 0.439 712 G N 0.142 108.766 108.800 -0.293 0.000 2.396 712 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.214 712 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.214 712 G C 1.487 176.061 174.900 -0.543 0.000 1.166 712 G CA 0.161 44.995 45.100 -0.444 0.000 0.793 712 G HN 0.231 nan 8.290 nan 0.000 0.533 713 I N 0.170 120.553 120.570 -0.312 0.000 2.404 713 I HA 0.251 4.420 4.170 -0.000 0.000 0.231 713 I C 1.568 177.628 176.117 -0.095 0.000 1.064 713 I CA 1.102 62.252 61.300 -0.251 0.000 1.383 713 I CB -0.920 37.005 38.000 -0.125 0.000 1.171 713 I HN 0.423 nan 8.210 nan 0.000 0.422 714 Q N 0.269 120.063 119.800 -0.009 0.000 3.230 714 Q HA 0.150 4.489 4.340 -0.000 0.000 0.025 714 Q C -0.625 175.287 176.000 -0.146 0.000 1.707 714 Q CA 0.318 56.106 55.803 -0.025 0.000 0.242 714 Q CB -2.004 26.836 28.738 0.171 0.000 0.584 714 Q HN 0.947 nan 8.270 nan 0.000 0.322 715 A N 1.286 123.877 122.820 -0.383 0.000 2.423 715 A HA 1.097 5.416 4.320 -0.000 0.000 0.304 715 A C -0.642 176.558 177.584 -0.640 0.000 1.104 715 A CA -0.216 51.624 52.037 -0.328 0.000 0.757 715 A CB 1.255 20.194 19.000 -0.101 0.000 1.313 715 A HN 1.686 nan 8.150 nan 0.000 0.423 716 F N -0.954 118.998 119.950 0.004 0.000 2.706 716 F HA 0.529 5.056 4.527 -0.000 0.000 0.328 716 F C 0.216 175.956 175.800 -0.100 0.000 1.123 716 F CA -0.623 57.340 58.000 -0.062 0.000 0.978 716 F CB 1.394 40.375 39.000 -0.031 0.000 1.404 716 F HN 0.506 nan 8.300 nan 0.000 0.497 717 Q N 1.836 121.664 119.800 0.047 0.000 2.303 717 Q HA 0.366 4.705 4.340 -0.000 0.000 0.257 717 Q C -2.446 173.534 176.000 -0.034 0.000 0.941 717 Q CA -1.905 53.861 55.803 -0.061 0.000 0.931 717 Q CB 1.369 29.985 28.738 -0.203 0.000 1.215 717 Q HN 0.075 nan 8.270 nan 0.000 0.437 718 P HA -0.062 nan 4.420 nan 0.000 0.270 718 P C -1.051 176.186 177.300 -0.106 0.000 1.221 718 P CA 0.073 63.124 63.100 -0.083 0.000 0.788 718 P CB 0.565 32.175 31.700 -0.149 0.000 0.904 719 V N 2.349 122.190 119.914 -0.122 0.000 2.671 719 V HA 0.086 4.206 4.120 -0.000 0.000 0.292 719 V C -0.426 175.579 176.094 -0.149 0.000 1.115 719 V CA -0.592 61.635 62.300 -0.122 0.000 0.918 719 V CB 1.520 33.280 31.823 -0.105 0.000 1.036 719 V HN 0.331 nan 8.190 nan 0.000 0.445 720 L N 5.679 126.797 121.223 -0.175 0.000 2.601 720 L HA 0.211 4.551 4.340 -0.000 0.000 0.277 720 L C 0.306 177.056 176.870 -0.200 0.000 1.219 720 L CA 1.329 56.035 54.840 -0.223 0.000 0.915 720 L CB 0.444 42.328 42.059 -0.293 0.000 1.160 720 L HN 0.456 nan 8.230 nan 0.000 0.494 721 V N 2.027 121.824 119.914 -0.195 0.000 3.119 721 V HA 0.469 4.588 4.120 -0.000 0.000 0.309 721 V C 0.276 176.273 176.094 -0.161 0.000 1.304 721 V CA -0.786 61.418 62.300 -0.161 0.000 1.057 721 V CB 1.806 33.551 31.823 -0.131 0.000 1.150 721 V HN 0.623 nan 8.190 nan 0.000 0.474 722 E N 0.922 121.048 120.200 -0.124 0.000 3.994 722 E HA 0.339 4.689 4.350 -0.000 0.000 0.569 722 E C 0.512 177.064 176.600 -0.080 0.000 0.320 722 E CA 0.749 57.086 56.400 -0.104 0.000 3.540 722 E CB -0.507 29.143 29.700 -0.084 0.000 2.366 722 E HN 0.831 nan 8.360 nan 0.000 0.353 723 G N 0.349 109.116 108.800 -0.054 0.000 2.356 723 G HA2 0.432 4.392 3.960 -0.000 0.000 0.312 723 G HA3 0.432 4.392 3.960 -0.000 0.000 0.312 723 G C -0.768 174.118 174.900 -0.023 0.000 1.096 723 G CA -0.143 44.938 45.100 -0.032 0.000 0.950 723 G HN 0.205 nan 8.290 nan 0.000 0.428 724 Q N 0.336 120.127 119.800 -0.015 0.000 0.407 724 Q HA -0.165 4.175 4.340 -0.000 0.000 0.313 724 Q C 0.757 176.750 176.000 -0.011 0.000 1.086 724 Q CA 1.497 57.296 55.803 -0.006 0.000 0.270 724 Q CB -0.984 27.755 28.738 0.001 0.000 5.580 724 Q HN 2.436 nan 8.270 nan 0.000 0.313 725 S N -2.227 113.473 115.700 0.001 0.000 3.564 725 S HA -0.198 4.272 4.470 -0.000 0.000 0.823 725 S C -0.098 174.501 174.600 -0.001 0.000 1.040 725 S CA 0.523 58.728 58.200 0.008 0.000 1.205 725 S CB -1.374 61.831 63.200 0.008 0.000 1.330 725 S HN 0.708 nan 8.310 nan 0.000 0.379 726 I N 3.079 123.657 120.570 0.013 0.000 2.474 726 I HA 0.168 4.338 4.170 -0.000 0.000 0.287 726 I C 1.157 177.277 176.117 0.005 0.000 1.048 726 I CA -0.245 61.055 61.300 0.001 0.000 1.383 726 I CB 0.768 38.778 38.000 0.017 0.000 1.412 726 I HN 0.663 nan 8.210 nan 0.000 0.531 727 Q N 5.482 125.258 119.800 -0.040 0.000 2.361 727 Q HA 0.317 4.657 4.340 -0.000 0.000 0.250 727 Q C -0.703 175.256 176.000 -0.069 0.000 1.023 727 Q CA -0.550 55.220 55.803 -0.055 0.000 0.915 727 Q CB 1.443 30.122 28.738 -0.099 0.000 1.238 727 Q HN 0.424 nan 8.270 nan 0.000 0.451 728 L N 2.318 123.554 121.223 0.022 0.000 2.416 728 L HA 0.336 4.676 4.340 -0.000 0.000 0.262 728 L C -0.496 176.392 176.870 0.030 0.000 1.093 728 L CA -0.442 54.392 54.840 -0.011 0.000 0.801 728 L CB 0.873 43.006 42.059 0.123 0.000 1.191 728 L HN 0.533 nan 8.230 nan 0.000 0.459 729 H N 4.214 123.202 119.070 -0.136 0.000 2.476 729 H HA 0.437 4.993 4.556 -0.000 0.000 0.328 729 H C -2.240 173.122 175.328 0.056 0.000 1.073 729 H CA -2.232 53.778 56.048 -0.064 0.000 1.229 729 H CB 1.190 30.891 29.762 -0.102 0.000 1.432 729 H HN 0.403 nan 8.280 nan 0.000 0.477 730 P HA -0.342 nan 4.420 nan 0.000 0.208 730 P C 1.680 178.707 177.300 -0.455 0.000 0.999 730 P CA 1.563 64.567 63.100 -0.161 0.000 0.988 730 P CB 0.274 32.135 31.700 0.268 0.000 0.745 731 L N -1.178 119.712 121.223 -0.554 0.000 2.095 731 L HA -0.259 4.080 4.340 -0.000 0.000 0.229 731 L C 2.782 179.525 176.870 -0.211 0.000 1.097 731 L CA 2.049 56.761 54.840 -0.213 0.000 0.813 731 L CB -1.611 40.525 42.059 0.128 0.000 0.907 731 L HN -0.094 nan 8.230 nan 0.000 0.445 732 V N -0.880 118.817 119.914 -0.362 0.000 2.469 732 V HA -0.332 3.787 4.120 -0.000 0.000 0.251 732 V C 2.687 178.594 176.094 -0.312 0.000 1.064 732 V CA 1.805 63.965 62.300 -0.234 0.000 1.066 732 V CB -0.432 31.276 31.823 -0.193 0.000 0.667 732 V HN 0.581 nan 8.190 nan 0.000 0.461 733 C N -0.375 118.760 119.300 -0.276 0.000 2.284 733 C HA -0.357 4.103 4.460 -0.000 0.000 0.269 733 C C 2.666 177.629 174.990 -0.045 0.000 1.133 733 C CA 1.964 60.867 59.018 -0.192 0.000 1.794 733 C CB -1.206 26.474 27.740 -0.100 0.000 1.976 733 C HN 0.736 nan 8.230 nan 0.000 0.424 734 E N 0.388 120.586 120.200 -0.003 0.000 2.119 734 E HA -0.378 3.972 4.350 -0.000 0.000 0.221 734 E C 2.149 178.832 176.600 0.138 0.000 1.062 734 E CA 2.183 58.617 56.400 0.057 0.000 0.894 734 E CB -0.378 29.349 29.700 0.046 0.000 0.785 734 E HN 0.613 nan 8.360 nan 0.000 0.472 735 A N -0.009 122.920 122.820 0.182 0.000 1.884 735 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 735 A C 2.042 179.876 177.584 0.417 0.000 1.197 735 A CA 1.971 54.211 52.037 0.338 0.000 0.637 735 A CB -1.043 18.180 19.000 0.371 0.000 0.827 735 A HN 0.411 nan 8.150 nan 0.000 0.450 736 F N -0.744 119.244 119.950 0.064 0.000 2.186 736 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 736 F C 1.433 177.221 175.800 -0.019 0.000 1.090 736 F CA 0.891 58.893 58.000 0.003 0.000 1.307 736 F CB -0.678 38.316 39.000 -0.011 0.000 1.019 736 F HN 0.509 nan 8.300 nan 0.000 0.489 737 N N -0.033 118.785 118.700 0.197 0.000 2.746 737 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 737 N C -0.635 174.892 175.510 0.028 0.000 1.055 737 N CA 0.661 53.759 53.050 0.080 0.000 0.699 737 N CB -1.095 37.435 38.487 0.071 0.000 0.919 737 N HN 0.243 nan 8.380 nan 0.000 0.548 738 A N 1.760 124.569 122.820 -0.019 0.000 2.937 738 A HA 0.264 4.583 4.320 -0.000 0.000 0.338 738 A C 0.406 177.754 177.584 -0.394 0.000 1.273 738 A CA -0.385 51.562 52.037 -0.149 0.000 0.937 738 A CB 0.182 19.129 19.000 -0.090 0.000 1.133 738 A HN 0.516 nan 8.150 nan 0.000 0.491 739 D N 0.074 120.332 120.400 -0.237 0.000 2.362 739 D HA 0.035 4.675 4.640 -0.000 0.000 0.238 739 D C -0.791 175.317 176.300 -0.319 0.000 1.212 739 D CA 0.094 53.971 54.000 -0.205 0.000 0.902 739 D CB 0.434 41.209 40.800 -0.041 0.000 1.180 739 D HN 0.255 nan 8.370 nan 0.000 0.445 740 F N 0.294 120.254 119.950 0.016 0.000 2.611 740 F HA 0.156 4.683 4.527 -0.000 0.000 0.321 740 F C 0.542 176.346 175.800 0.007 0.000 1.208 740 F CA -0.729 57.277 58.000 0.010 0.000 1.249 740 F CB 0.162 39.163 39.000 0.002 0.000 1.514 740 F HN 0.213 nan 8.300 nan 0.000 0.561 741 D N -1.124 119.337 120.400 0.101 0.000 2.363 741 D HA 0.268 4.908 4.640 -0.000 0.000 0.214 741 D C 1.516 177.847 176.300 0.053 0.000 1.093 741 D CA 0.117 54.158 54.000 0.069 0.000 0.837 741 D CB 0.522 41.345 40.800 0.038 0.000 0.948 741 D HN 0.419 nan 8.370 nan 0.000 0.507 742 G N 0.220 109.057 108.800 0.062 0.000 2.157 742 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.118 742 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.118 742 G C -0.705 174.212 174.900 0.029 0.000 1.032 742 G CA -0.600 44.528 45.100 0.045 0.000 0.697 742 G HN 0.215 nan 8.290 nan 0.000 0.495 743 D N 0.667 121.079 120.400 0.020 0.000 2.344 743 D HA 0.469 5.109 4.640 -0.000 0.000 0.244 743 D C 0.664 176.969 176.300 0.008 0.000 1.134 743 D CA 0.407 54.404 54.000 -0.005 0.000 0.930 743 D CB 0.865 41.635 40.800 -0.050 0.000 1.175 743 D HN 0.441 nan 8.370 nan 0.000 0.437 744 Q N 0.476 120.278 119.800 0.003 0.000 2.387 744 Q HA 0.611 4.951 4.340 -0.000 0.000 0.273 744 Q C -0.516 175.490 176.000 0.010 0.000 1.089 744 Q CA -0.675 55.135 55.803 0.012 0.000 0.824 744 Q CB 2.752 31.494 28.738 0.006 0.000 1.367 744 Q HN 0.279 nan 8.270 nan 0.000 0.443 745 M N 1.303 120.917 119.600 0.023 0.000 2.263 745 M HA 0.514 4.994 4.480 -0.000 0.000 0.295 745 M C -0.617 175.688 176.300 0.009 0.000 1.028 745 M CA -0.633 54.684 55.300 0.029 0.000 0.921 745 M CB 2.126 34.784 32.600 0.097 0.000 1.601 745 M HN 0.827 nan 8.290 nan 0.000 0.440 746 A N 2.064 124.871 122.820 -0.023 0.000 2.364 746 A HA 0.386 4.706 4.320 -0.000 0.000 0.258 746 A C 0.521 178.055 177.584 -0.083 0.000 1.131 746 A CA -0.116 51.865 52.037 -0.093 0.000 0.800 746 A CB 0.502 19.423 19.000 -0.132 0.000 1.086 746 A HN 0.745 nan 8.150 nan 0.000 0.508 747 V N -0.153 119.640 119.914 -0.202 0.000 3.432 747 V HA 0.156 4.276 4.120 -0.000 0.000 0.290 747 V C 0.016 176.095 176.094 -0.024 0.000 1.591 747 V CA -0.162 62.102 62.300 -0.061 0.000 1.069 747 V CB -1.003 30.823 31.823 0.005 0.000 0.892 747 V HN 0.963 nan 8.190 nan 0.000 0.436 748 H N 0.565 119.677 119.070 0.071 0.000 3.120 748 H HA -0.106 4.449 4.556 -0.000 0.000 0.296 748 H C -0.150 175.198 175.328 0.033 0.000 0.945 748 H CA 1.385 57.468 56.048 0.059 0.000 1.304 748 H CB 0.109 29.893 29.762 0.037 0.000 1.142 748 H HN 0.233 nan 8.280 nan 0.000 0.605 749 V N 5.436 125.405 119.914 0.092 0.000 2.495 749 V HA 0.245 4.364 4.120 -0.000 0.000 0.298 749 V C -1.683 174.317 176.094 -0.157 0.000 1.031 749 V CA -1.574 60.664 62.300 -0.104 0.000 0.871 749 V CB 1.926 33.499 31.823 -0.416 0.000 0.988 749 V HN 0.650 nan 8.190 nan 0.000 0.432 750 P HA 0.272 nan 4.420 nan 0.000 0.280 750 P C -0.045 177.147 177.300 -0.181 0.000 1.244 750 P CA -0.222 62.813 63.100 -0.108 0.000 0.784 750 P CB 2.273 33.934 31.700 -0.066 0.000 0.913 751 L N 2.818 124.001 121.223 -0.068 0.000 2.276 751 L HA 0.056 4.396 4.340 -0.000 0.000 0.194 751 L C 1.229 178.156 176.870 0.094 0.000 1.099 751 L CA 1.485 56.339 54.840 0.023 0.000 0.800 751 L CB -1.179 40.953 42.059 0.123 0.000 0.994 751 L HN 0.339 nan 8.230 nan 0.000 0.475 752 S N -0.559 115.193 115.700 0.087 0.000 3.455 752 S HA 0.059 4.529 4.470 -0.000 0.000 0.288 752 S C 1.378 176.051 174.600 0.122 0.000 1.231 752 S CA 0.467 58.729 58.200 0.103 0.000 1.031 752 S CB -0.008 63.244 63.200 0.086 0.000 1.570 752 S HN 0.359 nan 8.310 nan 0.000 0.519 753 S N 2.751 118.515 115.700 0.107 0.000 2.396 753 S HA -0.392 4.078 4.470 -0.000 0.000 0.476 753 S C 1.223 175.879 174.600 0.092 0.000 1.048 753 S CA 2.312 60.564 58.200 0.087 0.000 2.784 753 S CB -1.322 61.936 63.200 0.098 0.000 2.036 753 S HN 0.742 nan 8.310 nan 0.000 0.520 754 F N 1.917 121.866 119.950 -0.001 0.000 2.063 754 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 754 F C 2.585 178.380 175.800 -0.009 0.000 1.099 754 F CA 2.266 60.261 58.000 -0.008 0.000 1.220 754 F CB -1.042 37.950 39.000 -0.014 0.000 0.972 754 F HN 0.424 nan 8.300 nan 0.000 0.487 755 A N -1.222 121.719 122.820 0.203 0.000 1.948 755 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 755 A C 1.994 179.599 177.584 0.036 0.000 1.177 755 A CA 2.046 54.143 52.037 0.100 0.000 0.636 755 A CB -0.830 18.210 19.000 0.066 0.000 0.815 755 A HN 0.512 nan 8.150 nan 0.000 0.449 756 Q N -0.585 119.223 119.800 0.013 0.000 2.049 756 Q HA 0.103 4.443 4.340 -0.000 0.000 0.198 756 Q C 2.146 178.130 176.000 -0.027 0.000 0.971 756 Q CA 1.879 57.669 55.803 -0.022 0.000 0.833 756 Q CB -0.582 28.135 28.738 -0.034 0.000 0.896 756 Q HN 0.535 nan 8.270 nan 0.000 0.434 757 A N 1.100 123.891 122.820 -0.049 0.000 1.917 757 A HA -0.259 4.060 4.320 -0.000 0.000 0.219 757 A C 1.734 179.281 177.584 -0.061 0.000 1.182 757 A CA 1.995 53.976 52.037 -0.093 0.000 0.633 757 A CB -0.807 18.060 19.000 -0.222 0.000 0.819 757 A HN 0.695 nan 8.150 nan 0.000 0.448 758 E N -0.947 119.238 120.200 -0.025 0.000 2.479 758 E HA 0.428 4.778 4.350 -0.000 0.000 0.193 758 E C 1.327 177.938 176.600 0.017 0.000 1.049 758 E CA 0.502 56.910 56.400 0.013 0.000 0.870 758 E CB -0.013 29.727 29.700 0.068 0.000 0.944 758 E HN 0.472 nan 8.360 nan 0.000 0.492 759 A N 2.269 125.091 122.820 0.002 0.000 2.115 759 A HA 0.053 4.373 4.320 -0.000 0.000 0.211 759 A C 1.620 179.192 177.584 -0.020 0.000 1.169 759 A CA -0.080 51.950 52.037 -0.011 0.000 0.787 759 A CB -0.131 18.858 19.000 -0.018 0.000 0.858 759 A HN 0.237 nan 8.150 nan 0.000 0.474 760 R N -0.744 119.752 120.500 -0.007 0.000 3.220 760 R HA 0.752 5.091 4.340 -0.000 0.000 0.324 760 R C -0.299 176.058 176.300 0.095 0.000 1.283 760 R CA -0.075 56.029 56.100 0.007 0.000 1.387 760 R CB -0.197 30.093 30.300 -0.017 0.000 1.413 760 R HN 0.327 nan 8.270 nan 0.000 0.610 761 I N -0.808 119.847 120.570 0.142 0.000 3.918 761 I HA -0.154 4.016 4.170 -0.000 0.000 0.272 761 I C 1.256 177.496 176.117 0.205 0.000 1.070 761 I CA 0.088 61.490 61.300 0.170 0.000 1.366 761 I CB 0.583 38.606 38.000 0.038 0.000 1.983 761 I HN 0.326 nan 8.210 nan 0.000 0.392 762 Q N 0.435 120.303 119.800 0.112 0.000 2.396 762 Q HA 0.245 4.585 4.340 -0.000 0.000 0.220 762 Q C 1.632 177.673 176.000 0.069 0.000 0.900 762 Q CA 0.521 56.380 55.803 0.092 0.000 0.925 762 Q CB 0.606 29.381 28.738 0.061 0.000 1.065 762 Q HN 0.427 nan 8.270 nan 0.000 0.535 763 M N 0.713 120.332 119.600 0.032 0.000 2.465 763 M HA 0.201 4.681 4.480 -0.000 0.000 0.249 763 M C 0.319 176.561 176.300 -0.097 0.000 1.130 763 M CA -0.294 54.994 55.300 -0.020 0.000 1.067 763 M CB 0.404 32.986 32.600 -0.030 0.000 1.394 763 M HN 0.188 nan 8.290 nan 0.000 0.483 764 L N 0.912 122.068 121.223 -0.112 0.000 2.492 764 L HA -0.012 4.328 4.340 -0.000 0.000 0.280 764 L C 1.475 178.170 176.870 -0.292 0.000 1.240 764 L CA 0.708 55.390 54.840 -0.264 0.000 0.831 764 L CB 0.819 42.666 42.059 -0.353 0.000 1.100 764 L HN 0.253 nan 8.230 nan 0.000 0.505 765 S N 1.959 117.425 115.700 -0.390 0.000 2.425 765 S HA 0.028 4.497 4.470 -0.000 0.000 0.225 765 S C 1.632 176.186 174.600 -0.077 0.000 1.024 765 S CA 0.335 58.396 58.200 -0.231 0.000 0.951 765 S CB -0.666 62.402 63.200 -0.220 0.000 0.796 765 S HN 0.830 nan 8.310 nan 0.000 0.498 766 A N 1.280 124.013 122.820 -0.145 0.000 2.172 766 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 766 A C 1.802 179.364 177.584 -0.036 0.000 1.154 766 A CA 1.146 53.135 52.037 -0.081 0.000 0.701 766 A CB -0.545 18.426 19.000 -0.048 0.000 0.789 766 A HN 0.738 nan 8.150 nan 0.000 0.465 767 H N -1.458 117.657 119.070 0.074 0.000 2.398 767 H HA 0.107 4.662 4.556 -0.000 0.000 0.279 767 H C 0.721 176.114 175.328 0.108 0.000 1.114 767 H CA 0.182 56.276 56.048 0.075 0.000 1.609 767 H CB -0.882 28.904 29.762 0.041 0.000 1.460 767 H HN 0.329 nan 8.280 nan 0.000 0.608 768 N N 1.711 120.544 118.700 0.220 0.000 2.938 768 N HA -0.035 4.705 4.740 -0.000 0.000 0.286 768 N C 0.639 176.219 175.510 0.116 0.000 1.316 768 N CA 0.110 53.249 53.050 0.148 0.000 1.063 768 N CB -0.162 38.392 38.487 0.111 0.000 1.388 768 N HN 0.333 nan 8.380 nan 0.000 0.545 769 L N -0.508 120.796 121.223 0.135 0.000 2.769 769 L HA 0.222 4.562 4.340 -0.000 0.000 0.175 769 L C -0.378 176.564 176.870 0.120 0.000 1.099 769 L CA -0.228 54.684 54.840 0.119 0.000 0.876 769 L CB -0.050 42.076 42.059 0.112 0.000 1.498 769 L HN -0.046 nan 8.230 nan 0.000 0.499 770 L N 2.284 123.613 121.223 0.177 0.000 2.706 770 L HA -0.016 4.323 4.340 -0.000 0.000 0.282 770 L C 0.417 177.248 176.870 -0.064 0.000 1.219 770 L CA 0.947 55.895 54.840 0.180 0.000 0.935 770 L CB -0.731 41.615 42.059 0.478 0.000 1.204 770 L HN 0.334 nan 8.230 nan 0.000 0.491 771 S N 2.684 118.262 115.700 -0.204 0.000 3.688 771 S HA -0.078 4.392 4.470 -0.000 0.000 0.561 771 S C -2.227 172.297 174.600 -0.127 0.000 0.708 771 S CA -0.340 57.664 58.200 -0.327 0.000 1.405 771 S CB -1.085 61.565 63.200 -0.917 0.000 0.887 771 S HN 0.648 nan 8.310 nan 0.000 0.801 772 P HA 0.544 nan 4.420 nan 0.000 0.300 772 P C 0.058 177.371 177.300 0.021 0.000 1.356 772 P CA -0.033 63.074 63.100 0.011 0.000 0.823 772 P CB 1.170 32.883 31.700 0.022 0.000 0.934 773 A N 3.531 126.381 122.820 0.049 0.000 1.791 773 A HA -0.075 4.245 4.320 -0.000 0.000 0.343 773 A C 0.715 178.354 177.584 0.093 0.000 0.736 773 A CA 1.452 53.545 52.037 0.094 0.000 1.553 773 A CB -1.985 17.074 19.000 0.098 0.000 0.613 773 A HN 0.635 nan 8.150 nan 0.000 0.195 774 S N -0.232 115.546 115.700 0.129 0.000 4.046 774 S HA 0.306 4.776 4.470 -0.000 0.000 0.327 774 S C 1.816 176.486 174.600 0.117 0.000 1.042 774 S CA 0.912 59.193 58.200 0.136 0.000 0.861 774 S CB -1.504 61.775 63.200 0.131 0.000 0.792 774 S HN 3.031 nan 8.310 nan 0.000 0.590 775 G N 1.706 110.587 108.800 0.135 0.000 2.652 775 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.278 775 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.278 775 G C -0.204 174.841 174.900 0.241 0.000 1.263 775 G CA 0.179 45.438 45.100 0.265 0.000 0.966 775 G HN 0.797 nan 8.290 nan 0.000 0.544 776 E N 3.161 123.468 120.200 0.178 0.000 2.556 776 E HA 0.173 4.523 4.350 -0.000 0.000 0.273 776 E C -2.009 174.656 176.600 0.108 0.000 1.175 776 E CA 0.287 56.775 56.400 0.146 0.000 1.066 776 E CB -0.352 29.400 29.700 0.088 0.000 1.036 776 E HN 0.567 nan 8.360 nan 0.000 0.471 777 P HA 0.124 nan 4.420 nan 0.000 0.284 777 P C 0.253 177.584 177.300 0.051 0.000 1.258 777 P CA -0.499 62.627 63.100 0.043 0.000 0.824 777 P CB 1.215 32.956 31.700 0.068 0.000 1.038 778 L N 2.658 123.908 121.223 0.045 0.000 2.269 778 L HA 0.281 4.621 4.340 -0.000 0.000 0.200 778 L C 1.470 178.383 176.870 0.072 0.000 1.069 778 L CA 1.131 56.004 54.840 0.055 0.000 0.804 778 L CB -1.715 40.379 42.059 0.058 0.000 0.987 778 L HN 0.399 nan 8.230 nan 0.000 0.468 779 A N 1.913 124.786 122.820 0.089 0.000 3.026 779 A HA 0.197 4.517 4.320 -0.000 0.000 0.272 779 A C 0.354 178.005 177.584 0.112 0.000 1.782 779 A CA -0.283 51.818 52.037 0.107 0.000 1.451 779 A CB -1.330 17.754 19.000 0.140 0.000 1.081 779 A HN 0.414 nan 8.150 nan 0.000 0.611 780 K N 1.340 121.795 120.400 0.092 0.000 2.156 780 K HA 0.683 5.002 4.320 -0.000 0.000 0.250 780 K C -2.990 173.662 176.600 0.087 0.000 0.955 780 K CA -2.114 54.230 56.287 0.095 0.000 0.855 780 K CB 1.553 34.101 32.500 0.081 0.000 1.101 780 K HN 0.133 nan 8.250 nan 0.000 0.434 781 P HA -0.033 nan 4.420 nan 0.000 0.269 781 P C -0.727 176.597 177.300 0.042 0.000 1.209 781 P CA -0.048 63.097 63.100 0.076 0.000 0.776 781 P CB 1.054 32.812 31.700 0.096 0.000 0.876 782 S N 0.002 115.704 115.700 0.004 0.000 2.800 782 S HA 0.616 5.085 4.470 -0.000 0.000 0.293 782 S C 0.401 174.979 174.600 -0.038 0.000 1.209 782 S CA -0.475 57.722 58.200 -0.005 0.000 0.884 782 S CB 0.165 63.373 63.200 0.013 0.000 1.244 782 S HN 0.460 nan 8.310 nan 0.000 0.540 783 R N 0.712 121.202 120.500 -0.018 0.000 0.988 783 R HA -0.070 4.270 4.340 -0.000 0.000 0.164 783 R C 0.620 176.897 176.300 -0.039 0.000 0.412 783 R CA 2.108 58.197 56.100 -0.017 0.000 0.235 783 R CB -2.639 27.667 30.300 0.010 0.000 1.724 783 R HN 0.876 nan 8.270 nan 0.000 0.590 784 D N -2.313 118.039 120.400 -0.080 0.000 3.545 784 D HA -0.141 4.499 4.640 -0.000 0.000 0.316 784 D C 1.392 177.566 176.300 -0.211 0.000 0.386 784 D CA 0.674 54.602 54.000 -0.120 0.000 0.804 784 D CB -0.818 39.913 40.800 -0.116 0.000 1.537 784 D HN 0.356 nan 8.370 nan 0.000 0.473 785 I N 1.972 122.351 120.570 -0.318 0.000 2.315 785 I HA -0.136 4.033 4.170 -0.000 0.000 0.248 785 I C 2.594 178.671 176.117 -0.066 0.000 1.117 785 I CA 0.967 62.088 61.300 -0.298 0.000 1.404 785 I CB -0.190 37.655 38.000 -0.258 0.000 1.071 785 I HN 0.134 nan 8.210 nan 0.000 0.419 786 I N 0.055 120.607 120.570 -0.029 0.000 2.233 786 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 786 I C 2.436 178.600 176.117 0.080 0.000 1.093 786 I CA 0.741 62.066 61.300 0.043 0.000 1.380 786 I CB -0.283 37.730 38.000 0.022 0.000 1.067 786 I HN 0.185 nan 8.210 nan 0.000 0.413 787 L N 1.248 122.490 121.223 0.032 0.000 2.211 787 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 787 L C 2.035 179.000 176.870 0.158 0.000 1.092 787 L CA 2.216 57.098 54.840 0.070 0.000 0.767 787 L CB -1.386 40.681 42.059 0.012 0.000 0.894 787 L HN 0.267 nan 8.230 nan 0.000 0.437 788 G N -1.526 107.345 108.800 0.119 0.000 2.508 788 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.212 788 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.212 788 G C 1.549 176.587 174.900 0.231 0.000 1.206 788 G CA 0.391 45.583 45.100 0.154 0.000 0.822 788 G HN 0.358 nan 8.290 nan 0.000 0.550 789 L N -0.478 120.865 121.223 0.200 0.000 2.211 789 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 789 L C 2.499 179.463 176.870 0.156 0.000 1.092 789 L CA 1.399 56.356 54.840 0.195 0.000 0.767 789 L CB -0.351 41.821 42.059 0.188 0.000 0.894 789 L HN 0.358 nan 8.230 nan 0.000 0.437 790 Y N -0.829 119.520 120.300 0.082 0.000 2.117 790 Y HA -0.311 4.239 4.550 -0.000 0.000 0.277 790 Y C 2.555 178.545 175.900 0.151 0.000 1.104 790 Y CA 1.585 59.723 58.100 0.063 0.000 1.089 790 Y CB -0.603 37.903 38.460 0.077 0.000 0.999 790 Y HN -0.090 nan 8.280 nan 0.000 0.480 791 Y N -0.241 120.266 120.300 0.344 0.000 2.271 791 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 791 Y C 2.014 178.026 175.900 0.187 0.000 1.189 791 Y CA 1.674 59.975 58.100 0.336 0.000 1.229 791 Y CB -0.359 38.272 38.460 0.284 0.000 0.973 791 Y HN 0.226 nan 8.280 nan 0.000 0.537 792 I N -0.629 120.109 120.570 0.279 0.000 3.564 792 I HA -0.061 4.109 4.170 -0.000 0.000 0.294 792 I C 0.731 176.898 176.117 0.082 0.000 1.289 792 I CA 0.913 62.320 61.300 0.179 0.000 1.325 792 I CB -0.350 37.763 38.000 0.188 0.000 1.039 792 I HN 0.186 nan 8.210 nan 0.000 0.474 793 T N -3.940 110.615 114.554 0.002 0.000 4.130 793 T HA 0.208 4.558 4.350 -0.000 0.000 0.262 793 T C 0.676 175.255 174.700 -0.201 0.000 0.951 793 T CA -0.509 61.533 62.100 -0.098 0.000 1.180 793 T CB 0.181 68.939 68.868 -0.183 0.000 1.009 793 T HN -0.023 nan 8.240 nan 0.000 0.536 794 Q N 1.045 120.769 119.800 -0.126 0.000 2.481 794 Q HA 0.412 4.752 4.340 -0.000 0.000 0.219 794 Q C 0.458 176.418 176.000 -0.067 0.000 0.920 794 Q CA 0.807 56.483 55.803 -0.212 0.000 0.915 794 Q CB 0.632 29.212 28.738 -0.264 0.000 1.057 794 Q HN 0.643 nan 8.270 nan 0.000 0.581 795 V N 0.963 120.919 119.914 0.071 0.000 3.356 795 V HA -0.183 3.937 4.120 -0.000 0.000 0.482 795 V C -0.244 175.940 176.094 0.150 0.000 0.682 795 V CA -0.077 62.263 62.300 0.067 0.000 2.027 795 V CB -0.467 31.360 31.823 0.007 0.000 2.476 795 V HN 0.293 nan 8.190 nan 0.000 0.502 796 R N 1.875 122.440 120.500 0.107 0.000 2.541 796 R HA 0.862 5.202 4.340 -0.000 0.000 0.254 796 R C 0.780 177.131 176.300 0.085 0.000 1.130 796 R CA 0.177 56.355 56.100 0.130 0.000 1.152 796 R CB 0.618 30.958 30.300 0.065 0.000 1.222 796 R HN 1.062 nan 8.270 nan 0.000 0.579 797 K N -0.056 120.395 120.400 0.085 0.000 2.770 797 K HA -0.002 4.318 4.320 -0.000 0.000 0.195 797 K C 1.158 177.785 176.600 0.045 0.000 1.515 797 K CA 1.111 57.428 56.287 0.050 0.000 1.199 797 K CB -0.367 32.159 32.500 0.043 0.000 1.681 797 K HN 0.844 nan 8.250 nan 0.000 0.586 798 E N -1.234 119.005 120.200 0.065 0.000 4.799 798 E HA -0.396 3.954 4.350 -0.000 0.000 0.188 798 E C 0.691 177.314 176.600 0.038 0.000 1.397 798 E CA 3.017 59.450 56.400 0.055 0.000 2.176 798 E CB -2.465 27.259 29.700 0.041 0.000 1.942 798 E HN 1.823 nan 8.360 nan 0.000 0.274 799 K N 0.263 120.679 120.400 0.026 0.000 6.984 799 K HA 0.315 4.635 4.320 -0.000 0.000 0.664 799 K C 0.273 176.883 176.600 0.015 0.000 2.558 799 K CA 2.577 58.873 56.287 0.015 0.000 1.934 799 K CB -2.462 30.044 32.500 0.010 0.000 2.338 799 K HN 1.682 nan 8.250 nan 0.000 0.216 800 K N -0.987 119.420 120.400 0.011 0.000 3.178 800 K HA 0.553 4.873 4.320 -0.000 0.000 0.100 800 K C 1.045 177.649 176.600 0.007 0.000 0.961 800 K CA 1.123 57.416 56.287 0.010 0.000 0.993 800 K CB -0.583 31.925 32.500 0.013 0.000 0.762 800 K HN 2.665 nan 8.250 nan 0.000 0.333 801 G N -2.465 106.338 108.800 0.005 0.000 2.619 801 G HA2 0.879 4.839 3.960 -0.000 0.000 0.305 801 G HA3 0.879 4.839 3.960 -0.000 0.000 0.305 801 G C 0.170 175.071 174.900 0.001 0.000 1.330 801 G CA 0.751 45.853 45.100 0.003 0.000 0.789 801 G HN 1.469 nan 8.290 nan 0.000 0.487 802 A N -2.097 120.723 122.820 0.000 0.000 2.399 802 A HA 0.522 4.842 4.320 -0.000 0.000 0.208 802 A C 1.398 178.981 177.584 -0.001 0.000 2.793 802 A CA 1.192 53.228 52.037 -0.002 0.000 1.473 802 A CB -0.845 18.154 19.000 -0.003 0.000 0.580 802 A HN 2.273 nan 8.150 nan 0.000 0.500 803 G N -0.423 108.377 108.800 -0.001 0.000 2.492 803 G HA2 0.454 4.414 3.960 -0.000 0.000 0.308 803 G HA3 0.454 4.414 3.960 -0.000 0.000 0.308 803 G C 0.451 175.350 174.900 -0.001 0.000 1.323 803 G CA 1.869 46.968 45.100 -0.001 0.000 1.132 803 G HN 1.763 nan 8.290 nan 0.000 0.630 804 M N -2.918 116.682 119.600 -0.001 0.000 2.821 804 M HA 0.880 5.360 4.480 -0.000 0.000 0.294 804 M C 0.826 177.125 176.300 -0.000 0.000 1.195 804 M CA 0.187 55.486 55.300 -0.001 0.000 0.784 804 M CB 0.920 33.519 32.600 -0.001 0.000 1.755 804 M HN 2.014 nan 8.290 nan 0.000 0.477 805 A N -2.632 120.188 122.820 -0.000 0.000 1.570 805 A HA 0.683 5.003 4.320 -0.000 0.000 0.212 805 A C 1.625 179.208 177.584 -0.000 0.000 1.855 805 A CA 2.319 54.356 52.037 -0.000 0.000 1.415 805 A CB -0.738 18.262 19.000 0.000 0.000 1.376 805 A HN 3.012 nan 8.150 nan 0.000 0.370 806 F N -0.842 119.107 119.950 -0.001 0.000 2.525 806 F HA -0.047 4.480 4.527 -0.000 0.000 0.755 806 F C 1.709 177.509 175.800 -0.000 0.000 0.485 806 F CA 1.598 59.598 58.000 -0.001 0.000 0.762 806 F CB -2.059 36.941 39.000 -0.001 0.000 1.609 806 F HN 1.782 nan 8.300 nan 0.000 0.279 807 A N 0.869 123.688 122.820 -0.000 0.000 3.012 807 A HA 0.573 4.892 4.320 -0.000 0.000 0.295 807 A C 1.057 178.641 177.584 -0.000 0.000 1.338 807 A CA 1.534 53.571 52.037 -0.000 0.000 0.981 807 A CB -1.208 17.792 19.000 -0.000 0.000 1.091 807 A HN 2.492 nan 8.150 nan 0.000 0.602 808 T N -0.396 114.158 114.554 0.000 0.000 4.543 808 T HA -0.126 4.223 4.350 -0.000 0.000 0.313 808 T C -1.518 173.182 174.700 0.000 0.000 1.051 808 T CA 0.819 62.919 62.100 0.000 0.000 2.160 808 T CB -2.373 66.495 68.868 0.000 0.000 1.904 808 T HN 0.583 nan 8.240 nan 0.000 0.924 809 P HA 0.028 nan 4.420 nan 0.000 0.274 809 P C 1.050 178.351 177.300 0.000 0.000 1.224 809 P CA 0.034 63.134 63.100 0.000 0.000 0.803 809 P CB 0.427 32.127 31.700 0.000 0.000 0.876 810 E N 0.912 121.112 120.200 0.000 0.000 2.463 810 E HA -0.231 4.119 4.350 -0.000 0.000 0.201 810 E C 1.739 178.339 176.600 0.001 0.000 1.045 810 E CA 1.070 57.470 56.400 0.001 0.000 0.872 810 E CB -0.237 29.463 29.700 0.000 0.000 0.797 810 E HN 0.521 nan 8.360 nan 0.000 0.538 811 E N 0.550 120.750 120.200 0.001 0.000 2.339 811 E HA -0.250 4.099 4.350 -0.000 0.000 0.201 811 E C 1.719 178.321 176.600 0.002 0.000 1.015 811 E CA 1.354 57.755 56.400 0.001 0.000 0.841 811 E CB -0.768 28.933 29.700 0.001 0.000 0.754 811 E HN 0.558 nan 8.360 nan 0.000 0.508 812 A N 0.328 123.149 122.820 0.002 0.000 1.834 812 A HA 0.170 4.489 4.320 -0.000 0.000 0.216 812 A C 2.857 180.443 177.584 0.002 0.000 1.203 812 A CA 3.281 55.319 52.037 0.002 0.000 0.621 812 A CB -1.087 17.915 19.000 0.002 0.000 0.841 812 A HN 1.371 nan 8.150 nan 0.000 0.446 813 L N -1.243 119.981 121.223 0.002 0.000 2.217 813 L HA 0.346 4.685 4.340 -0.000 0.000 0.211 813 L C 2.855 179.726 176.870 0.002 0.000 1.107 813 L CA 2.364 57.205 54.840 0.002 0.000 0.783 813 L CB -2.242 39.818 42.059 0.001 0.000 0.919 813 L HN 0.751 nan 8.230 nan 0.000 0.442 814 A N -0.576 122.245 122.820 0.002 0.000 2.019 814 A HA 0.160 4.480 4.320 -0.000 0.000 0.219 814 A C 2.686 180.271 177.584 0.003 0.000 1.164 814 A CA 2.021 54.059 52.037 0.002 0.000 0.644 814 A CB -0.623 18.378 19.000 0.002 0.000 0.805 814 A HN 1.201 nan 8.150 nan 0.000 0.449 815 A N -1.661 121.161 122.820 0.003 0.000 1.943 815 A HA 0.303 4.623 4.320 -0.000 0.000 0.213 815 A C 1.610 179.196 177.584 0.004 0.000 1.181 815 A CA 0.825 52.864 52.037 0.004 0.000 0.653 815 A CB -0.944 18.058 19.000 0.004 0.000 0.833 815 A HN 1.181 nan 8.150 nan 0.000 0.451 816 Y N -0.221 120.081 120.300 0.004 0.000 2.601 816 Y HA 0.421 4.971 4.550 -0.000 0.000 0.349 816 Y C 1.126 177.028 175.900 0.004 0.000 1.274 816 Y CA 1.527 59.629 58.100 0.004 0.000 1.863 816 Y CB -1.860 36.602 38.460 0.003 0.000 1.629 816 Y HN 0.974 nan 8.280 nan 0.000 0.439 817 E N 0.189 120.391 120.200 0.005 0.000 1.368 817 E HA 0.293 4.643 4.350 -0.000 0.000 0.220 817 E C 0.267 176.870 176.600 0.005 0.000 1.057 817 E CA 0.774 57.177 56.400 0.005 0.000 1.187 817 E CB -0.449 29.253 29.700 0.004 0.000 4.589 817 E HN 1.491 nan 8.360 nan 0.000 0.729 818 R N -3.279 117.224 120.500 0.006 0.000 3.139 818 R HA 0.517 4.857 4.340 -0.000 0.000 0.287 818 R C 1.116 177.420 176.300 0.006 0.000 0.978 818 R CA 0.177 56.281 56.100 0.006 0.000 0.837 818 R CB 0.378 30.682 30.300 0.006 0.000 1.330 818 R HN 1.766 nan 8.270 nan 0.000 0.527 819 G N -0.328 108.476 108.800 0.007 0.000 2.866 819 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.274 819 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.274 819 G C 0.119 175.023 174.900 0.007 0.000 1.413 819 G CA 0.722 45.825 45.100 0.006 0.000 0.997 819 G HN 1.367 nan 8.290 nan 0.000 0.559 820 E N 0.827 121.031 120.200 0.006 0.000 2.498 820 E HA 0.633 4.983 4.350 -0.000 0.000 0.252 820 E C 1.006 177.610 176.600 0.007 0.000 1.025 820 E CA 1.278 57.682 56.400 0.006 0.000 0.938 820 E CB -0.114 29.588 29.700 0.004 0.000 0.947 820 E HN 2.222 nan 8.360 nan 0.000 0.478 821 V N 1.043 120.961 119.914 0.008 0.000 3.700 821 V HA 0.839 4.959 4.120 -0.000 0.000 0.277 821 V C 1.176 177.276 176.094 0.009 0.000 1.067 821 V CA -0.177 62.129 62.300 0.010 0.000 0.897 821 V CB 0.991 32.822 31.823 0.012 0.000 1.231 821 V HN 1.276 nan 8.190 nan 0.000 0.425 822 A N 0.180 123.007 122.820 0.010 0.000 2.910 822 A HA 0.869 5.188 4.320 -0.000 0.000 0.316 822 A C -0.435 177.155 177.584 0.011 0.000 1.493 822 A CA 0.460 52.502 52.037 0.010 0.000 1.150 822 A CB -0.982 18.024 19.000 0.010 0.000 1.159 822 A HN 2.715 nan 8.150 nan 0.000 0.526 823 L N -0.618 120.610 121.223 0.008 0.000 3.976 823 L HA 0.626 4.966 4.340 -0.000 0.000 0.253 823 L C 0.226 177.098 176.870 0.004 0.000 1.011 823 L CA 0.262 55.106 54.840 0.007 0.000 1.069 823 L CB -0.933 41.133 42.059 0.011 0.000 1.791 823 L HN 2.455 nan 8.230 nan 0.000 0.481 824 N N 0.303 119.004 118.700 0.001 0.000 1.517 824 N HA 0.505 5.245 4.740 -0.000 0.000 0.179 824 N C 1.934 177.443 175.510 -0.000 0.000 0.833 824 N CA 2.567 55.616 53.050 -0.001 0.000 1.150 824 N CB -1.988 36.498 38.487 -0.002 0.000 1.449 824 N HN 3.281 nan 8.380 nan 0.000 0.448 825 A N -0.804 122.016 122.820 -0.000 0.000 1.473 825 A HA 0.511 4.831 4.320 -0.000 0.000 0.191 825 A C -0.307 177.277 177.584 -0.000 0.000 1.207 825 A CA 2.252 54.289 52.037 -0.000 0.000 0.662 825 A CB -1.962 17.039 19.000 0.001 0.000 1.122 825 A HN 2.465 nan 8.150 nan 0.000 0.182 826 P HA 0.832 nan 4.420 nan 0.000 0.274 826 P C 0.898 178.197 177.300 -0.001 0.000 1.264 826 P CA 2.855 65.954 63.100 -0.001 0.000 0.795 826 P CB 0.781 32.480 31.700 -0.002 0.000 1.064 827 I N -3.246 117.324 120.570 -0.001 0.000 5.457 827 I HA 0.286 4.455 4.170 -0.000 0.000 0.343 827 I C 1.047 177.163 176.117 -0.001 0.000 1.073 827 I CA 1.382 62.682 61.300 -0.001 0.000 1.649 827 I CB -0.331 37.668 38.000 -0.000 0.000 2.101 827 I HN 0.358 nan 8.210 nan 0.000 0.707 828 V N -1.499 118.414 119.914 -0.001 0.000 4.539 828 V HA 0.366 4.485 4.120 -0.000 0.000 0.434 828 V C 1.163 177.256 176.094 -0.002 0.000 1.961 828 V CA 1.200 63.499 62.300 -0.001 0.000 1.994 828 V CB 0.169 31.991 31.823 -0.001 0.000 1.037 828 V HN 1.829 nan 8.190 nan 0.000 0.354 829 V N -1.467 118.446 119.914 -0.002 0.000 3.837 829 V HA 0.937 5.057 4.120 -0.000 0.000 0.182 829 V C 0.536 176.629 176.094 -0.002 0.000 1.356 829 V CA 1.376 63.674 62.300 -0.002 0.000 1.260 829 V CB 1.086 32.908 31.823 -0.002 0.000 1.287 829 V HN 1.711 nan 8.190 nan 0.000 0.572 830 A N -1.706 121.113 122.820 -0.001 0.000 2.343 830 A HA 0.595 4.915 4.320 -0.000 0.000 0.315 830 A C 0.824 178.408 177.584 0.000 0.000 0.934 830 A CA 0.660 52.697 52.037 -0.001 0.000 0.507 830 A CB -1.169 17.830 19.000 -0.002 0.000 1.700 830 A HN 2.888 nan 8.150 nan 0.000 0.655 831 G N -0.957 107.843 108.800 0.001 0.000 3.439 831 G HA2 0.228 4.188 3.960 -0.000 0.000 0.686 831 G HA3 0.228 4.188 3.960 -0.000 0.000 0.686 831 G C -0.044 174.858 174.900 0.003 0.000 1.075 831 G CA 0.719 45.820 45.100 0.002 0.000 0.926 831 G HN 1.677 nan 8.290 nan 0.000 0.485 832 R N 0.735 121.237 120.500 0.004 0.000 2.346 832 R HA 0.302 4.642 4.340 -0.000 0.000 0.199 832 R C 1.504 177.807 176.300 0.005 0.000 1.015 832 R CA 1.298 57.401 56.100 0.004 0.000 1.058 832 R CB -0.023 30.280 30.300 0.005 0.000 0.921 832 R HN 0.863 nan 8.270 nan 0.000 0.475 833 E N 0.366 120.569 120.200 0.005 0.000 2.427 833 E HA 0.092 4.442 4.350 -0.000 0.000 0.259 833 E C 0.188 176.790 176.600 0.005 0.000 1.267 833 E CA -0.286 56.117 56.400 0.006 0.000 1.425 833 E CB 0.334 30.038 29.700 0.007 0.000 1.482 833 E HN 0.385 nan 8.360 nan 0.000 0.460 834 T N -2.996 111.560 114.554 0.004 0.000 3.004 834 T HA 0.111 4.461 4.350 -0.000 0.000 0.266 834 T C 1.935 176.637 174.700 0.003 0.000 0.986 834 T CA 0.619 62.721 62.100 0.003 0.000 0.902 834 T CB 0.564 69.434 68.868 0.002 0.000 1.118 834 T HN 0.338 nan 8.240 nan 0.000 0.522 835 S N 1.498 117.200 115.700 0.004 0.000 2.336 835 S HA 0.042 4.512 4.470 -0.000 0.000 0.216 835 S C 1.030 175.633 174.600 0.005 0.000 1.032 835 S CA 0.478 58.681 58.200 0.004 0.000 0.973 835 S CB -0.288 62.915 63.200 0.005 0.000 0.888 835 S HN 0.269 nan 8.310 nan 0.000 0.455 836 V N 2.517 122.435 119.914 0.007 0.000 2.096 836 V HA 0.433 4.553 4.120 -0.000 0.000 0.259 836 V C 0.813 176.912 176.094 0.008 0.000 1.420 836 V CA 0.015 62.320 62.300 0.009 0.000 1.336 836 V CB -0.261 31.569 31.823 0.013 0.000 1.394 836 V HN 0.494 nan 8.190 nan 0.000 0.494 837 G N 2.710 111.514 108.800 0.006 0.000 3.343 837 G HA2 0.433 4.393 3.960 -0.000 0.000 0.264 837 G HA3 0.433 4.393 3.960 -0.000 0.000 0.264 837 G C 0.794 175.697 174.900 0.006 0.000 0.884 837 G CA 0.066 45.169 45.100 0.006 0.000 1.916 837 G HN 0.767 nan 8.290 nan 0.000 0.618 838 R N -1.338 119.167 120.500 0.009 0.000 2.973 838 R HA 0.573 4.913 4.340 -0.000 0.000 0.277 838 R C 1.076 177.381 176.300 0.008 0.000 1.000 838 R CA 1.158 57.264 56.100 0.010 0.000 1.175 838 R CB -0.520 29.788 30.300 0.014 0.000 1.113 838 R HN 1.324 nan 8.270 nan 0.000 0.495 839 L N -0.914 120.314 121.223 0.008 0.000 2.806 839 L HA 0.902 5.242 4.340 -0.000 0.000 0.203 839 L C 1.902 178.777 176.870 0.008 0.000 1.435 839 L CA 1.449 56.294 54.840 0.007 0.000 2.687 839 L CB -1.764 40.299 42.059 0.005 0.000 2.525 839 L HN 2.296 nan 8.230 nan 0.000 0.963 840 K N -2.182 118.222 120.400 0.008 0.000 2.622 840 K HA 0.456 4.776 4.320 -0.000 0.000 0.591 840 K C -0.087 176.517 176.600 0.006 0.000 2.573 840 K CA 1.657 57.949 56.287 0.008 0.000 1.991 840 K CB -2.537 29.969 32.500 0.010 0.000 2.708 840 K HN 2.643 nan 8.250 nan 0.000 0.211 841 F N -2.762 117.191 119.950 0.005 0.000 3.250 841 F HA 0.887 5.414 4.527 -0.000 0.000 0.326 841 F C 2.047 177.849 175.800 0.002 0.000 1.154 841 F CA 0.151 58.153 58.000 0.004 0.000 0.870 841 F CB 0.292 39.294 39.000 0.003 0.000 1.476 841 F HN 1.925 nan 8.300 nan 0.000 0.491 842 V N -0.271 119.644 119.914 0.002 0.000 3.244 842 V HA 0.079 4.199 4.120 -0.000 0.000 0.273 842 V C 2.365 178.459 176.094 -0.000 0.000 1.180 842 V CA 4.062 66.362 62.300 0.000 0.000 1.182 842 V CB -2.341 29.482 31.823 0.000 0.000 0.796 842 V HN 2.379 nan 8.190 nan 0.000 0.543 843 F N -0.634 119.316 119.950 0.001 0.000 2.118 843 F HA 0.417 4.944 4.527 -0.000 0.000 0.293 843 F C 2.264 178.065 175.800 0.000 0.000 1.102 843 F CA 2.010 60.010 58.000 0.000 0.000 1.247 843 F CB -0.531 38.470 39.000 0.001 0.000 1.017 843 F HN 0.554 nan 8.300 nan 0.000 0.475 844 A N -1.804 121.017 122.820 0.001 0.000 2.548 844 A HA 0.521 4.841 4.320 -0.000 0.000 0.236 844 A C 0.849 178.434 177.584 0.001 0.000 1.246 844 A CA 1.758 53.796 52.037 0.001 0.000 0.993 844 A CB -1.073 17.929 19.000 0.003 0.000 1.209 844 A HN 2.342 nan 8.150 nan 0.000 0.570 845 N N -0.226 118.475 118.700 0.001 0.000 6.084 845 N HA -0.062 4.678 4.740 -0.000 0.000 0.397 845 N C -2.588 172.926 175.510 0.006 0.000 1.184 845 N CA 0.025 53.076 53.050 0.002 0.000 2.157 845 N CB -1.980 36.506 38.487 -0.002 0.000 0.675 845 N HN 0.318 nan 8.380 nan 0.000 0.568 846 P HA 0.304 nan 4.420 nan 0.000 0.244 846 P C 0.440 177.749 177.300 0.015 0.000 1.723 846 P CA 1.554 64.661 63.100 0.012 0.000 1.110 846 P CB -0.889 30.819 31.700 0.014 0.000 1.972 847 D N 0.964 121.373 120.400 0.015 0.000 2.305 847 D HA -0.020 4.619 4.640 -0.000 0.000 0.206 847 D C 1.812 178.128 176.300 0.026 0.000 0.974 847 D CA 1.004 55.015 54.000 0.018 0.000 0.871 847 D CB -0.298 40.511 40.800 0.015 0.000 0.947 847 D HN 0.376 nan 8.370 nan 0.000 0.516 848 E N -0.171 120.045 120.200 0.026 0.000 2.385 848 E HA 0.496 4.846 4.350 -0.000 0.000 0.194 848 E C 2.297 178.920 176.600 0.038 0.000 1.013 848 E CA 1.050 57.470 56.400 0.033 0.000 0.866 848 E CB -0.497 29.218 29.700 0.025 0.000 0.832 848 E HN 0.730 nan 8.360 nan 0.000 0.500 849 A N 0.876 123.715 122.820 0.031 0.000 1.858 849 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 849 A C 2.414 180.022 177.584 0.040 0.000 1.190 849 A CA 1.495 53.551 52.037 0.032 0.000 0.617 849 A CB -0.413 18.603 19.000 0.026 0.000 0.827 849 A HN 0.468 nan 8.150 nan 0.000 0.443 850 L N -0.677 120.568 121.223 0.038 0.000 2.201 850 L HA -0.115 4.224 4.340 -0.000 0.000 0.212 850 L C 2.478 179.374 176.870 0.043 0.000 1.105 850 L CA 0.775 55.637 54.840 0.037 0.000 0.775 850 L CB -0.585 41.493 42.059 0.033 0.000 0.913 850 L HN 0.492 nan 8.230 nan 0.000 0.440 851 L N 0.507 121.766 121.223 0.060 0.000 2.056 851 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 851 L C 2.652 179.630 176.870 0.180 0.000 1.078 851 L CA 1.913 56.815 54.840 0.103 0.000 0.749 851 L CB -0.818 41.305 42.059 0.107 0.000 0.901 851 L HN 0.087 nan 8.230 nan 0.000 0.433 852 A N -0.463 122.430 122.820 0.122 0.000 1.883 852 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 852 A C 2.252 179.908 177.584 0.120 0.000 1.186 852 A CA 2.380 54.487 52.037 0.116 0.000 0.624 852 A CB -1.300 17.737 19.000 0.061 0.000 0.822 852 A HN 0.341 nan 8.150 nan 0.000 0.444 853 V N -0.037 119.921 119.914 0.073 0.000 2.392 853 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 853 V C 3.022 179.128 176.094 0.020 0.000 1.059 853 V CA 1.933 64.260 62.300 0.045 0.000 1.051 853 V CB -1.451 30.392 31.823 0.032 0.000 0.658 853 V HN 0.641 nan 8.190 nan 0.000 0.455 854 A N -0.780 122.031 122.820 -0.015 0.000 1.883 854 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 854 A C 1.277 178.725 177.584 -0.227 0.000 1.186 854 A CA 1.196 53.142 52.037 -0.152 0.000 0.624 854 A CB -0.677 18.164 19.000 -0.264 0.000 0.822 854 A HN 0.677 nan 8.150 nan 0.000 0.444 855 H N -0.156 118.918 119.070 0.006 0.000 2.690 855 H HA 0.317 4.873 4.556 -0.000 0.000 0.314 855 H C 0.951 176.281 175.328 0.004 0.000 1.069 855 H CA -0.160 55.891 56.048 0.004 0.000 1.436 855 H CB 0.409 30.174 29.762 0.004 0.000 1.462 855 H HN 0.338 nan 8.280 nan 0.000 0.511 856 G N 4.065 112.913 108.800 0.079 0.000 2.417 856 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.285 856 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.285 856 G C 0.249 175.182 174.900 0.055 0.000 0.715 856 G CA 0.245 45.374 45.100 0.049 0.000 1.206 856 G HN 0.372 nan 8.290 nan 0.000 0.292 857 L N 1.895 123.147 121.223 0.048 0.000 3.574 857 L HA 0.283 4.623 4.340 -0.000 0.000 0.216 857 L C 1.307 178.195 176.870 0.029 0.000 1.375 857 L CA -0.156 54.709 54.840 0.041 0.000 1.601 857 L CB -0.883 41.209 42.059 0.054 0.000 1.881 857 L HN 0.321 nan 8.230 nan 0.000 0.683 858 L N 3.318 124.561 121.223 0.033 0.000 2.505 858 L HA -0.021 4.319 4.340 -0.000 0.000 0.275 858 L C 1.285 178.168 176.870 0.022 0.000 1.264 858 L CA 0.073 54.929 54.840 0.026 0.000 1.148 858 L CB -0.393 41.684 42.059 0.029 0.000 1.377 858 L HN 0.482 nan 8.230 nan 0.000 0.442 859 D N 2.453 122.862 120.400 0.015 0.000 2.315 859 D HA -0.294 4.346 4.640 -0.000 0.000 0.198 859 D C 2.072 178.380 176.300 0.014 0.000 1.010 859 D CA 1.998 56.002 54.000 0.008 0.000 0.911 859 D CB 0.227 41.023 40.800 -0.006 0.000 0.897 859 D HN 0.688 nan 8.370 nan 0.000 0.455 860 L N -1.872 119.363 121.223 0.020 0.000 3.898 860 L HA -0.401 3.938 4.340 -0.000 0.000 0.382 860 L C 0.981 177.872 176.870 0.036 0.000 0.711 860 L CA 2.192 57.051 54.840 0.032 0.000 2.828 860 L CB -1.560 40.523 42.059 0.040 0.000 0.852 860 L HN 0.046 nan 8.230 nan 0.000 0.694 861 Q N 1.978 121.792 119.800 0.023 0.000 2.585 861 Q HA 0.148 4.488 4.340 -0.000 0.000 0.219 861 Q C 0.611 176.620 176.000 0.014 0.000 0.984 861 Q CA 1.467 57.279 55.803 0.014 0.000 0.915 861 Q CB -0.801 27.900 28.738 -0.063 0.000 0.967 861 Q HN 0.940 nan 8.270 nan 0.000 0.530 862 D N -1.294 119.120 120.400 0.023 0.000 5.500 862 D HA -0.071 4.569 4.640 -0.000 0.000 0.227 862 D C 0.340 176.653 176.300 0.021 0.000 1.663 862 D CA 0.457 54.473 54.000 0.027 0.000 1.378 862 D CB -1.671 39.152 40.800 0.039 0.000 0.536 862 D HN 0.252 nan 8.370 nan 0.000 0.273 863 T N -2.753 111.811 114.554 0.017 0.000 3.009 863 T HA 0.478 4.828 4.350 -0.000 0.000 0.267 863 T C 1.005 175.712 174.700 0.013 0.000 0.942 863 T CA 1.016 63.124 62.100 0.014 0.000 0.883 863 T CB -0.050 68.825 68.868 0.012 0.000 1.192 863 T HN 2.405 nan 8.240 nan 0.000 0.524 864 V N 0.638 120.559 119.914 0.012 0.000 3.964 864 V HA -0.095 4.024 4.120 -0.000 0.000 0.444 864 V C -0.330 175.770 176.094 0.010 0.000 0.680 864 V CA 0.556 62.861 62.300 0.009 0.000 1.854 864 V CB -2.795 29.031 31.823 0.005 0.000 2.264 864 V HN 0.635 nan 8.190 nan 0.000 0.491 865 T N 4.754 119.315 114.554 0.011 0.000 2.815 865 T HA 0.468 4.817 4.350 -0.000 0.000 0.289 865 T C 0.494 175.201 174.700 0.011 0.000 1.000 865 T CA 0.053 62.160 62.100 0.012 0.000 0.958 865 T CB 1.430 70.307 68.868 0.015 0.000 0.944 865 T HN 0.898 nan 8.240 nan 0.000 0.442 866 T N 4.151 118.710 114.554 0.008 0.000 2.709 866 T HA 0.357 4.706 4.350 -0.000 0.000 0.269 866 T C 0.747 175.452 174.700 0.009 0.000 1.008 866 T CA 0.145 62.250 62.100 0.007 0.000 1.194 866 T CB -0.213 68.658 68.868 0.006 0.000 0.986 866 T HN 0.812 nan 8.240 nan 0.000 0.508 867 R N 0.184 120.690 120.500 0.009 0.000 2.922 867 R HA 0.893 5.233 4.340 -0.000 0.000 0.256 867 R C -0.755 175.551 176.300 0.009 0.000 1.138 867 R CA -0.432 55.674 56.100 0.011 0.000 0.995 867 R CB 0.733 31.041 30.300 0.013 0.000 1.226 867 R HN 0.925 nan 8.270 nan 0.000 0.481 868 Y N -2.350 117.955 120.300 0.009 0.000 2.602 868 Y HA 0.847 5.397 4.550 -0.000 0.000 0.342 868 Y C 0.668 176.573 175.900 0.007 0.000 1.029 868 Y CA -0.381 57.724 58.100 0.007 0.000 1.080 868 Y CB 1.536 39.999 38.460 0.006 0.000 1.284 868 Y HN 2.135 nan 8.280 nan 0.000 0.485 869 L N 0.050 121.276 121.223 0.006 0.000 4.292 869 L HA 0.559 4.899 4.340 -0.000 0.000 0.456 869 L C 0.740 177.613 176.870 0.004 0.000 1.071 869 L CA 0.831 55.674 54.840 0.005 0.000 1.614 869 L CB -0.155 41.908 42.059 0.006 0.000 1.447 869 L HN 2.804 nan 8.230 nan 0.000 0.552 870 G N -2.058 106.744 108.800 0.004 0.000 3.006 870 G HA2 0.620 4.580 3.960 -0.000 0.000 0.195 870 G HA3 0.620 4.580 3.960 -0.000 0.000 0.195 870 G C 0.356 175.258 174.900 0.004 0.000 1.034 870 G CA 1.542 46.644 45.100 0.004 0.000 0.807 870 G HN 2.433 nan 8.290 nan 0.000 0.469 871 R N -0.137 120.366 120.500 0.005 0.000 2.766 871 R HA 0.861 5.200 4.340 -0.000 0.000 0.270 871 R C -0.687 175.616 176.300 0.005 0.000 1.035 871 R CA -0.242 55.860 56.100 0.004 0.000 0.911 871 R CB 0.278 30.581 30.300 0.005 0.000 1.243 871 R HN 0.409 nan 8.270 nan 0.000 0.460 872 R N 1.537 122.040 120.500 0.004 0.000 2.248 872 R HA 0.389 4.728 4.340 -0.000 0.000 0.337 872 R C -0.274 176.029 176.300 0.005 0.000 1.106 872 R CA -0.262 55.840 56.100 0.005 0.000 0.959 872 R CB -0.024 30.278 30.300 0.004 0.000 1.075 872 R HN 0.483 nan 8.270 nan 0.000 0.480 873 L N 1.461 122.687 121.223 0.006 0.000 2.454 873 L HA 0.242 4.582 4.340 -0.000 0.000 0.256 873 L C 1.801 178.674 176.870 0.006 0.000 1.136 873 L CA 0.011 54.855 54.840 0.006 0.000 0.804 873 L CB 0.844 42.908 42.059 0.008 0.000 1.181 873 L HN 0.661 nan 8.230 nan 0.000 0.469 874 E N 0.157 120.359 120.200 0.004 0.000 2.251 874 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 874 E C 0.926 177.529 176.600 0.005 0.000 0.964 874 E CA 0.475 56.877 56.400 0.003 0.000 0.868 874 E CB -0.255 29.446 29.700 0.001 0.000 0.828 874 E HN 0.751 nan 8.360 nan 0.000 0.481 875 T N 2.329 116.886 114.554 0.005 0.000 2.466 875 T HA -0.148 4.201 4.350 -0.000 0.000 0.264 875 T C 0.166 174.872 174.700 0.009 0.000 0.951 875 T CA 0.917 63.021 62.100 0.006 0.000 1.258 875 T CB -0.098 68.778 68.868 0.012 0.000 1.042 875 T HN 0.587 nan 8.240 nan 0.000 0.413 876 N N 3.462 122.168 118.700 0.010 0.000 2.498 876 N HA 0.195 4.935 4.740 -0.000 0.000 0.287 876 N C -1.396 174.129 175.510 0.024 0.000 1.097 876 N CA -1.884 51.175 53.050 0.016 0.000 0.973 876 N CB 1.409 39.904 38.487 0.014 0.000 1.153 876 N HN 0.359 nan 8.380 nan 0.000 0.472 877 P HA -0.192 nan 4.420 nan 0.000 0.216 877 P C 1.261 178.586 177.300 0.042 0.000 1.153 877 P CA 1.568 64.688 63.100 0.032 0.000 0.858 877 P CB 0.157 31.876 31.700 0.032 0.000 0.789 878 G N 0.728 109.555 108.800 0.046 0.000 2.511 878 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 878 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 878 G C 1.857 176.799 174.900 0.070 0.000 1.218 878 G CA 0.506 45.645 45.100 0.064 0.000 0.788 878 G HN 0.123 nan 8.290 nan 0.000 0.560 879 R N -0.036 120.492 120.500 0.047 0.000 2.228 879 R HA -0.129 4.211 4.340 -0.000 0.000 0.259 879 R C 2.426 178.774 176.300 0.079 0.000 1.183 879 R CA 0.907 57.034 56.100 0.045 0.000 1.002 879 R CB -0.490 29.817 30.300 0.012 0.000 0.879 879 R HN 0.358 nan 8.270 nan 0.000 0.467 880 I N 0.401 121.009 120.570 0.062 0.000 2.110 880 I HA -0.298 3.872 4.170 -0.000 0.000 0.236 880 I C 2.459 178.611 176.117 0.059 0.000 1.068 880 I CA 0.717 62.048 61.300 0.053 0.000 1.333 880 I CB -1.205 36.817 38.000 0.036 0.000 1.054 880 I HN 0.136 nan 8.210 nan 0.000 0.402 881 L N 1.151 122.410 121.223 0.059 0.000 2.064 881 L HA -0.345 3.994 4.340 -0.000 0.000 0.234 881 L C 2.507 179.381 176.870 0.006 0.000 1.103 881 L CA 2.288 57.153 54.840 0.042 0.000 0.824 881 L CB -1.491 40.619 42.059 0.086 0.000 0.919 881 L HN 0.234 nan 8.230 nan 0.000 0.447 882 F N 0.223 120.134 119.950 -0.065 0.000 2.091 882 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 882 F C 2.314 178.060 175.800 -0.091 0.000 1.103 882 F CA 2.008 59.952 58.000 -0.093 0.000 1.228 882 F CB -0.704 38.270 39.000 -0.042 0.000 0.984 882 F HN 0.228 nan 8.300 nan 0.000 0.477 883 A N -0.081 122.811 122.820 0.120 0.000 2.194 883 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 883 A C 2.289 179.817 177.584 -0.093 0.000 1.162 883 A CA 1.946 54.002 52.037 0.033 0.000 0.674 883 A CB -0.829 18.208 19.000 0.061 0.000 0.789 883 A HN 0.589 nan 8.150 nan 0.000 0.470 884 R N -0.904 119.508 120.500 -0.147 0.000 2.164 884 R HA 0.197 4.536 4.340 -0.000 0.000 0.198 884 R C 1.797 177.917 176.300 -0.300 0.000 1.028 884 R CA 0.591 56.588 56.100 -0.172 0.000 1.083 884 R CB -0.151 30.080 30.300 -0.115 0.000 1.026 884 R HN 0.434 nan 8.270 nan 0.000 0.514 885 I N 1.189 121.484 120.570 -0.459 0.000 2.087 885 I HA -0.302 3.867 4.170 -0.000 0.000 0.240 885 I C 2.123 177.908 176.117 -0.554 0.000 1.054 885 I CA 1.508 62.392 61.300 -0.693 0.000 1.311 885 I CB -0.287 37.155 38.000 -0.931 0.000 1.024 885 I HN 0.008 nan 8.210 nan 0.000 0.402 886 V N 1.019 120.534 119.914 -0.665 0.000 2.759 886 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 886 V C 2.298 178.226 176.094 -0.277 0.000 1.080 886 V CA 1.690 63.695 62.300 -0.492 0.000 1.101 886 V CB -1.150 30.317 31.823 -0.593 0.000 0.698 886 V HN 0.584 nan 8.190 nan 0.000 0.477 887 G N 0.289 108.936 108.800 -0.254 0.000 2.605 887 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.215 887 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.215 887 G C 1.272 176.098 174.900 -0.124 0.000 1.279 887 G CA 0.577 45.587 45.100 -0.150 0.000 0.831 887 G HN 0.525 nan 8.290 nan 0.000 0.560 888 E N 0.927 121.052 120.200 -0.126 0.000 2.333 888 E HA -0.063 4.287 4.350 -0.000 0.000 0.200 888 E C 2.669 179.218 176.600 -0.086 0.000 1.010 888 E CA 0.470 56.816 56.400 -0.090 0.000 0.841 888 E CB -0.147 29.505 29.700 -0.081 0.000 0.757 888 E HN 0.394 nan 8.360 nan 0.000 0.508 889 A N 0.857 123.607 122.820 -0.118 0.000 1.877 889 A HA -0.095 4.224 4.320 -0.000 0.000 0.216 889 A C 1.842 179.387 177.584 -0.065 0.000 1.186 889 A CA 1.223 53.204 52.037 -0.092 0.000 0.620 889 A CB -0.179 18.748 19.000 -0.121 0.000 0.822 889 A HN 0.083 nan 8.150 nan 0.000 0.443 890 V N -2.121 117.752 119.914 -0.069 0.000 6.113 890 V HA 0.499 4.619 4.120 -0.000 0.000 0.273 890 V C 1.488 177.555 176.094 -0.045 0.000 1.580 890 V CA -0.111 62.158 62.300 -0.051 0.000 0.634 890 V CB -0.412 31.384 31.823 -0.045 0.000 1.447 890 V HN 0.346 nan 8.190 nan 0.000 0.389 891 G N 1.363 110.140 108.800 -0.038 0.000 3.213 891 G HA2 0.416 4.376 3.960 -0.000 0.000 0.263 891 G HA3 0.416 4.376 3.960 -0.000 0.000 0.263 891 G C -0.041 174.839 174.900 -0.034 0.000 0.829 891 G CA 0.516 45.597 45.100 -0.032 0.000 1.983 891 G HN 1.041 nan 8.290 nan 0.000 0.616 892 D N -0.627 119.747 120.400 -0.042 0.000 4.393 892 D HA -0.287 4.353 4.640 -0.000 0.000 0.300 892 D C 0.408 176.682 176.300 -0.044 0.000 2.390 892 D CA 1.121 55.093 54.000 -0.046 0.000 1.054 892 D CB -0.279 40.501 40.800 -0.033 0.000 1.107 892 D HN 0.428 nan 8.370 nan 0.000 1.279 893 E N 0.438 120.614 120.200 -0.039 0.000 2.901 893 E HA -0.019 4.331 4.350 -0.000 0.000 0.284 893 E C 0.978 177.567 176.600 -0.018 0.000 1.473 893 E CA 0.365 56.748 56.400 -0.030 0.000 1.292 893 E CB 0.161 29.848 29.700 -0.022 0.000 1.013 893 E HN 0.526 nan 8.360 nan 0.000 0.654 894 K N -2.073 118.322 120.400 -0.008 0.000 7.465 894 K HA -0.340 3.980 4.320 -0.000 0.000 0.355 894 K C 1.489 178.088 176.600 -0.002 0.000 0.642 894 K CA 1.714 57.999 56.287 -0.003 0.000 1.228 894 K CB -1.849 30.648 32.500 -0.005 0.000 0.788 894 K HN 0.320 nan 8.250 nan 0.000 0.961 895 V N 1.019 120.930 119.914 -0.006 0.000 2.311 895 V HA -0.385 3.735 4.120 -0.000 0.000 0.259 895 V C 2.424 178.517 176.094 -0.002 0.000 1.086 895 V CA 2.898 65.196 62.300 -0.005 0.000 1.078 895 V CB -1.167 30.649 31.823 -0.011 0.000 0.668 895 V HN 0.713 nan 8.190 nan 0.000 0.452 896 A N -0.829 121.986 122.820 -0.009 0.000 1.855 896 A HA -0.185 4.134 4.320 -0.000 0.000 0.213 896 A C 2.170 179.759 177.584 0.009 0.000 1.195 896 A CA 1.525 53.556 52.037 -0.009 0.000 0.610 896 A CB -0.648 18.329 19.000 -0.038 0.000 0.837 896 A HN 0.493 nan 8.150 nan 0.000 0.444 897 Q N 0.385 120.189 119.800 0.008 0.000 2.250 897 Q HA -0.295 4.045 4.340 -0.000 0.000 0.215 897 Q C 1.639 177.658 176.000 0.032 0.000 1.002 897 Q CA 2.700 58.516 55.803 0.022 0.000 0.910 897 Q CB -0.521 28.226 28.738 0.015 0.000 0.939 897 Q HN 0.793 nan 8.270 nan 0.000 0.416 898 E N -1.219 118.997 120.200 0.027 0.000 2.106 898 E HA -0.094 4.255 4.350 -0.000 0.000 0.192 898 E C -0.134 176.493 176.600 0.044 0.000 0.984 898 E CA 0.608 57.027 56.400 0.032 0.000 0.806 898 E CB 0.083 29.799 29.700 0.026 0.000 0.750 898 E HN 0.238 nan 8.360 nan 0.000 0.458 899 L N 1.938 123.191 121.223 0.050 0.000 2.598 899 L HA 0.430 4.770 4.340 -0.000 0.000 0.241 899 L C -0.213 176.711 176.870 0.090 0.000 1.244 899 L CA 0.427 55.308 54.840 0.069 0.000 1.198 899 L CB -1.319 40.782 42.059 0.070 0.000 1.448 899 L HN 0.060 nan 8.230 nan 0.000 0.406 900 I N -0.212 120.412 120.570 0.089 0.000 3.021 900 I HA 0.167 4.337 4.170 -0.000 0.000 0.305 900 I C -0.061 176.104 176.117 0.080 0.000 1.434 900 I CA -0.536 60.837 61.300 0.123 0.000 0.969 900 I CB 2.490 40.579 38.000 0.148 0.000 1.328 900 I HN 0.124 nan 8.210 nan 0.000 0.486 901 Q N 2.740 122.578 119.800 0.064 0.000 2.465 901 Q HA 0.188 4.528 4.340 -0.000 0.000 0.361 901 Q C 0.918 176.923 176.000 0.009 0.000 0.957 901 Q CA -0.584 55.231 55.803 0.020 0.000 1.065 901 Q CB 0.731 29.463 28.738 -0.009 0.000 1.274 901 Q HN 0.632 nan 8.270 nan 0.000 0.421 902 M N 1.997 121.620 119.600 0.039 0.000 2.252 902 M HA -0.274 4.206 4.480 -0.000 0.000 0.246 902 M C -0.164 176.140 176.300 0.007 0.000 1.064 902 M CA 2.035 57.358 55.300 0.038 0.000 1.053 902 M CB -0.459 32.163 32.600 0.038 0.000 1.341 902 M HN 0.363 nan 8.290 nan 0.000 0.404 903 D N 0.096 120.492 120.400 -0.006 0.000 2.344 903 D HA 0.311 4.950 4.640 -0.000 0.000 0.253 903 D C -0.103 176.169 176.300 -0.046 0.000 1.255 903 D CA -0.215 53.773 54.000 -0.020 0.000 0.894 903 D CB -0.193 40.597 40.800 -0.016 0.000 1.067 903 D HN 0.158 nan 8.370 nan 0.000 0.492 904 V N 3.768 123.647 119.914 -0.059 0.000 4.998 904 V HA -0.157 3.963 4.120 -0.000 0.000 0.196 904 V C -1.010 175.012 176.094 -0.121 0.000 0.851 904 V CA 0.427 62.668 62.300 -0.098 0.000 0.749 904 V CB -1.126 30.646 31.823 -0.086 0.000 0.418 904 V HN 0.759 nan 8.190 nan 0.000 0.358 905 P HA 0.114 nan 4.420 nan 0.000 0.252 905 P C 0.856 178.058 177.300 -0.163 0.000 1.211 905 P CA 0.451 63.481 63.100 -0.116 0.000 0.824 905 P CB 1.001 32.651 31.700 -0.083 0.000 1.077 906 Q N -1.664 117.977 119.800 -0.266 0.000 5.520 906 Q HA -0.212 4.128 4.340 -0.000 0.000 0.275 906 Q C -0.309 175.594 176.000 -0.162 0.000 2.073 906 Q CA 1.948 57.505 55.803 -0.410 0.000 0.524 906 Q CB -2.300 26.034 28.738 -0.674 0.000 0.371 906 Q HN 0.328 nan 8.270 nan 0.000 0.780 907 E N -0.887 119.285 120.200 -0.047 0.000 7.677 907 E HA -0.191 4.159 4.350 -0.000 0.000 0.462 907 E C 0.367 177.058 176.600 0.153 0.000 0.444 907 E CA 1.347 57.752 56.400 0.010 0.000 0.787 907 E CB -0.314 29.312 29.700 -0.123 0.000 0.972 907 E HN 0.594 nan 8.360 nan 0.000 0.265 908 K N 1.006 121.467 120.400 0.102 0.000 2.706 908 K HA 0.105 4.425 4.320 -0.000 0.000 0.179 908 K C 0.677 177.307 176.600 0.050 0.000 1.768 908 K CA -0.058 56.274 56.287 0.075 0.000 1.281 908 K CB 0.089 32.620 32.500 0.052 0.000 1.819 908 K HN 0.279 nan 8.250 nan 0.000 0.602 909 N N 1.316 120.046 118.700 0.050 0.000 2.672 909 N HA -0.047 4.692 4.740 -0.000 0.000 0.229 909 N C 1.719 177.260 175.510 0.052 0.000 1.043 909 N CA 1.507 54.583 53.050 0.043 0.000 0.932 909 N CB 0.553 39.059 38.487 0.032 0.000 1.500 909 N HN 0.242 nan 8.380 nan 0.000 0.445 910 S N 2.141 117.869 115.700 0.047 0.000 2.407 910 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 910 S C 2.106 176.758 174.600 0.088 0.000 1.036 910 S CA 0.805 59.038 58.200 0.055 0.000 1.013 910 S CB -0.596 62.626 63.200 0.038 0.000 0.820 910 S HN 0.228 nan 8.310 nan 0.000 0.476 911 L N 2.173 123.455 121.223 0.098 0.000 2.021 911 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 911 L C 2.735 179.688 176.870 0.137 0.000 1.074 911 L CA 2.531 57.459 54.840 0.146 0.000 0.760 911 L CB -1.775 40.369 42.059 0.143 0.000 0.889 911 L HN 0.572 nan 8.230 nan 0.000 0.433 912 K N 0.205 120.671 120.400 0.111 0.000 2.001 912 K HA -0.226 4.093 4.320 -0.000 0.000 0.214 912 K C 1.741 178.421 176.600 0.133 0.000 1.050 912 K CA 2.058 58.413 56.287 0.112 0.000 0.934 912 K CB -0.113 32.437 32.500 0.084 0.000 0.718 912 K HN 0.299 nan 8.250 nan 0.000 0.443 913 D N 1.210 121.671 120.400 0.101 0.000 2.106 913 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 913 D C 2.069 178.458 176.300 0.149 0.000 0.997 913 D CA 1.327 55.382 54.000 0.092 0.000 0.834 913 D CB -0.365 40.462 40.800 0.044 0.000 0.956 913 D HN 0.295 nan 8.370 nan 0.000 0.448 914 L N 1.173 122.481 121.223 0.142 0.000 1.978 914 L HA -0.243 4.097 4.340 -0.000 0.000 0.218 914 L C 2.568 179.546 176.870 0.180 0.000 1.075 914 L CA 1.400 56.335 54.840 0.158 0.000 0.767 914 L CB -0.362 41.805 42.059 0.180 0.000 0.890 914 L HN -0.076 nan 8.230 nan 0.000 0.434 915 V N -0.808 119.215 119.914 0.183 0.000 2.317 915 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 915 V C 2.100 178.345 176.094 0.251 0.000 1.065 915 V CA 2.449 64.866 62.300 0.196 0.000 1.049 915 V CB -0.934 30.996 31.823 0.178 0.000 0.651 915 V HN 0.577 nan 8.190 nan 0.000 0.450 916 Y N 0.352 120.717 120.300 0.109 0.000 2.109 916 Y HA -0.278 4.272 4.550 -0.000 0.000 0.285 916 Y C 2.857 178.848 175.900 0.150 0.000 1.131 916 Y CA 2.106 60.264 58.100 0.098 0.000 1.121 916 Y CB -0.171 38.306 38.460 0.029 0.000 0.987 916 Y HN 0.155 nan 8.280 nan 0.000 0.495 917 Q N 0.850 120.924 119.800 0.456 0.000 2.096 917 Q HA -0.255 4.085 4.340 -0.000 0.000 0.208 917 Q C 2.358 178.480 176.000 0.204 0.000 0.993 917 Q CA 2.190 58.184 55.803 0.318 0.000 0.862 917 Q CB -0.996 27.861 28.738 0.198 0.000 0.915 917 Q HN 0.631 nan 8.270 nan 0.000 0.416 918 A N -0.435 122.487 122.820 0.170 0.000 1.859 918 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 918 A C 2.066 179.705 177.584 0.092 0.000 1.198 918 A CA 1.691 53.790 52.037 0.104 0.000 0.629 918 A CB -1.312 17.743 19.000 0.091 0.000 0.830 918 A HN 0.528 nan 8.150 nan 0.000 0.446 919 F N 0.137 120.073 119.950 -0.022 0.000 2.141 919 F HA -0.261 4.265 4.527 -0.000 0.000 0.300 919 F C 1.965 177.696 175.800 -0.114 0.000 1.079 919 F CA 1.746 59.692 58.000 -0.090 0.000 1.264 919 F CB 0.057 38.948 39.000 -0.181 0.000 1.011 919 F HN 0.129 nan 8.300 nan 0.000 0.487 920 L N -0.370 120.938 121.223 0.141 0.000 2.102 920 L HA -0.058 4.282 4.340 -0.000 0.000 0.202 920 L C 2.374 179.263 176.870 0.032 0.000 1.076 920 L CA 1.438 56.331 54.840 0.089 0.000 0.761 920 L CB -1.075 41.069 42.059 0.142 0.000 0.921 920 L HN 0.147 nan 8.230 nan 0.000 0.444 921 R N -0.346 120.179 120.500 0.041 0.000 2.161 921 R HA 0.161 4.501 4.340 -0.000 0.000 0.213 921 R C 0.051 176.339 176.300 -0.020 0.000 1.055 921 R CA 0.427 56.536 56.100 0.016 0.000 0.996 921 R CB 0.137 30.457 30.300 0.033 0.000 0.901 921 R HN 0.229 nan 8.270 nan 0.000 0.456 922 L N 0.248 121.447 121.223 -0.041 0.000 2.381 922 L HA 0.461 4.801 4.340 -0.000 0.000 0.274 922 L C 0.450 177.226 176.870 -0.157 0.000 0.988 922 L CA -1.055 53.741 54.840 -0.074 0.000 0.824 922 L CB 1.974 44.005 42.059 -0.047 0.000 1.263 922 L HN -0.025 nan 8.230 nan 0.000 0.410 923 G N 1.527 110.220 108.800 -0.178 0.000 2.732 923 G HA2 0.187 4.147 3.960 -0.000 0.000 0.244 923 G HA3 0.187 4.147 3.960 -0.000 0.000 0.244 923 G C 0.878 175.580 174.900 -0.331 0.000 1.226 923 G CA -0.403 44.529 45.100 -0.280 0.000 0.860 923 G HN 0.718 nan 8.290 nan 0.000 0.583 924 M N 0.324 119.657 119.600 -0.445 0.000 3.727 924 M HA -0.263 4.217 4.480 -0.000 0.000 0.288 924 M C 2.829 179.058 176.300 -0.118 0.000 1.034 924 M CA 2.575 57.682 55.300 -0.322 0.000 1.049 924 M CB -0.633 31.873 32.600 -0.156 0.000 1.203 924 M HN 0.827 nan 8.290 nan 0.000 0.618 925 E N 1.199 121.371 120.200 -0.048 0.000 2.132 925 E HA -0.295 4.055 4.350 -0.000 0.000 0.218 925 E C 1.597 178.173 176.600 -0.041 0.000 1.058 925 E CA 2.063 58.453 56.400 -0.015 0.000 0.882 925 E CB -1.097 28.595 29.700 -0.014 0.000 0.774 925 E HN 0.554 nan 8.360 nan 0.000 0.467 926 K N 0.378 120.739 120.400 -0.065 0.000 2.034 926 K HA -0.120 4.200 4.320 -0.000 0.000 0.214 926 K C 2.464 179.040 176.600 -0.040 0.000 1.051 926 K CA 2.109 58.362 56.287 -0.057 0.000 0.931 926 K CB -0.935 31.522 32.500 -0.071 0.000 0.715 926 K HN 0.343 nan 8.250 nan 0.000 0.446 927 T N 1.618 116.142 114.554 -0.051 0.000 2.699 927 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 927 T C 2.053 176.778 174.700 0.041 0.000 1.036 927 T CA 1.687 63.793 62.100 0.009 0.000 1.147 927 T CB -0.395 68.490 68.868 0.029 0.000 0.862 927 T HN 0.397 nan 8.240 nan 0.000 0.446 928 A N 2.124 124.963 122.820 0.030 0.000 1.873 928 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 928 A C 2.384 179.981 177.584 0.022 0.000 1.193 928 A CA 1.812 53.874 52.037 0.042 0.000 0.629 928 A CB -0.640 18.373 19.000 0.022 0.000 0.826 928 A HN 0.460 nan 8.150 nan 0.000 0.447 929 R N -1.210 119.286 120.500 -0.006 0.000 2.122 929 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 929 R C 2.174 178.479 176.300 0.008 0.000 1.129 929 R CA 1.686 57.780 56.100 -0.011 0.000 0.925 929 R CB -1.005 29.280 30.300 -0.026 0.000 0.850 929 R HN 0.499 nan 8.270 nan 0.000 0.431 930 L N 1.316 122.539 121.223 -0.000 0.000 2.051 930 L HA -0.208 4.131 4.340 -0.000 0.000 0.214 930 L C 2.125 179.021 176.870 0.044 0.000 1.076 930 L CA 1.715 56.552 54.840 -0.005 0.000 0.758 930 L CB -0.669 41.387 42.059 -0.004 0.000 0.890 930 L HN 0.191 nan 8.230 nan 0.000 0.433 931 L N -0.524 120.744 121.223 0.075 0.000 2.081 931 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 931 L C 2.346 179.299 176.870 0.138 0.000 1.080 931 L CA 1.997 56.908 54.840 0.120 0.000 0.754 931 L CB -1.478 40.663 42.059 0.135 0.000 0.893 931 L HN 0.459 nan 8.230 nan 0.000 0.433 932 D N -1.126 119.337 120.400 0.105 0.000 2.197 932 D HA -0.002 4.638 4.640 -0.000 0.000 0.212 932 D C 2.144 178.555 176.300 0.184 0.000 0.963 932 D CA 1.104 55.179 54.000 0.126 0.000 0.864 932 D CB 0.391 41.225 40.800 0.057 0.000 1.009 932 D HN 0.200 nan 8.370 nan 0.000 0.479 933 A N 1.627 124.522 122.820 0.125 0.000 1.881 933 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 933 A C 2.420 180.112 177.584 0.179 0.000 1.215 933 A CA 1.465 53.573 52.037 0.119 0.000 0.648 933 A CB -1.152 17.819 19.000 -0.049 0.000 0.832 933 A HN 0.261 nan 8.150 nan 0.000 0.455 934 L N -0.659 120.624 121.223 0.100 0.000 2.081 934 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 934 L C 2.695 179.709 176.870 0.240 0.000 1.080 934 L CA 2.030 56.956 54.840 0.144 0.000 0.754 934 L CB -0.512 41.624 42.059 0.128 0.000 0.893 934 L HN 0.556 nan 8.230 nan 0.000 0.433 935 K N 0.047 120.613 120.400 0.277 0.000 1.973 935 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 935 K C 2.251 179.181 176.600 0.550 0.000 1.047 935 K CA 1.770 58.276 56.287 0.365 0.000 0.937 935 K CB -0.563 32.191 32.500 0.424 0.000 0.721 935 K HN 0.258 nan 8.250 nan 0.000 0.440 936 Y N 0.262 120.773 120.300 0.352 0.000 1.956 936 Y HA -0.440 4.110 4.550 -0.000 0.000 0.258 936 Y C 2.217 178.252 175.900 0.225 0.000 1.152 936 Y CA 2.041 60.300 58.100 0.264 0.000 1.093 936 Y CB -0.562 37.974 38.460 0.128 0.000 0.945 936 Y HN 0.158 nan 8.280 nan 0.000 0.488 937 Y N 0.382 120.782 120.300 0.167 0.000 1.956 937 Y HA -0.334 4.216 4.550 -0.000 0.000 0.258 937 Y C 2.850 178.849 175.900 0.164 0.000 1.152 937 Y CA 1.688 59.797 58.100 0.014 0.000 1.093 937 Y CB -1.410 37.013 38.460 -0.061 0.000 0.945 937 Y HN 0.352 nan 8.280 nan 0.000 0.488 938 G N -0.729 108.254 108.800 0.305 0.000 2.679 938 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.222 938 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.222 938 G C 1.616 176.573 174.900 0.095 0.000 1.164 938 G CA 1.643 46.831 45.100 0.148 0.000 0.769 938 G HN 0.364 nan 8.290 nan 0.000 0.610 939 F N 0.388 120.439 119.950 0.168 0.000 1.997 939 F HA -0.094 4.433 4.527 -0.000 0.000 0.296 939 F C 3.242 179.093 175.800 0.086 0.000 1.160 939 F CA 2.007 60.074 58.000 0.111 0.000 1.176 939 F CB -0.938 38.119 39.000 0.095 0.000 0.964 939 F HN 0.170 nan 8.300 nan 0.000 0.484 940 T N 0.297 115.066 114.554 0.358 0.000 2.721 940 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 940 T C 1.984 176.757 174.700 0.122 0.000 1.038 940 T CA 1.255 63.478 62.100 0.206 0.000 1.145 940 T CB -0.333 68.697 68.868 0.270 0.000 0.858 940 T HN -0.024 nan 8.240 nan 0.000 0.459 941 L N 1.825 123.123 121.223 0.124 0.000 1.961 941 L HA -0.028 4.311 4.340 -0.000 0.000 0.210 941 L C 3.079 179.976 176.870 0.044 0.000 1.072 941 L CA 2.525 57.418 54.840 0.088 0.000 0.749 941 L CB -1.883 40.256 42.059 0.133 0.000 0.889 941 L HN 0.577 nan 8.230 nan 0.000 0.432 942 S N -1.857 113.869 115.700 0.043 0.000 2.441 942 S HA -0.227 4.243 4.470 -0.000 0.000 0.242 942 S C 1.804 176.379 174.600 -0.041 0.000 1.018 942 S CA 1.801 59.988 58.200 -0.022 0.000 0.988 942 S CB -0.868 62.329 63.200 -0.005 0.000 0.778 942 S HN 0.488 nan 8.310 nan 0.000 0.498 943 T N 2.659 117.217 114.554 0.006 0.000 2.643 943 T HA -0.085 4.265 4.350 -0.000 0.000 0.256 943 T C 2.400 177.082 174.700 -0.031 0.000 1.061 943 T CA 2.127 64.225 62.100 -0.005 0.000 1.163 943 T CB -1.298 67.583 68.868 0.022 0.000 0.865 943 T HN 0.847 nan 8.240 nan 0.000 0.407 944 T N 1.216 115.759 114.554 -0.018 0.000 2.665 944 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 944 T C 2.207 176.877 174.700 -0.051 0.000 1.035 944 T CA 1.886 63.971 62.100 -0.025 0.000 1.151 944 T CB -0.940 67.922 68.868 -0.008 0.000 0.862 944 T HN 0.214 nan 8.240 nan 0.000 0.438 945 S N 0.952 116.604 115.700 -0.080 0.000 2.442 945 S HA 0.253 4.723 4.470 -0.000 0.000 0.236 945 S C 1.376 175.872 174.600 -0.173 0.000 1.007 945 S CA 0.647 58.758 58.200 -0.148 0.000 0.965 945 S CB -1.226 61.799 63.200 -0.291 0.000 0.773 945 S HN 1.237 nan 8.310 nan 0.000 0.504 946 G N 2.629 111.347 108.800 -0.136 0.000 2.222 946 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.234 946 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.234 946 G C -0.197 174.623 174.900 -0.132 0.000 0.698 946 G CA 0.575 45.610 45.100 -0.108 0.000 1.094 946 G HN 0.744 nan 8.290 nan 0.000 0.316 947 I N 2.370 122.850 120.570 -0.151 0.000 2.389 947 I HA 0.772 4.942 4.170 -0.000 0.000 0.288 947 I C 0.546 176.621 176.117 -0.069 0.000 0.999 947 I CA -1.669 59.554 61.300 -0.129 0.000 1.129 947 I CB 1.130 39.009 38.000 -0.203 0.000 1.288 947 I HN 0.343 nan 8.210 nan 0.000 0.444 948 I N 3.614 124.157 120.570 -0.045 0.000 4.126 948 I HA 0.618 4.788 4.170 -0.000 0.000 0.245 948 I C -0.208 175.892 176.117 -0.028 0.000 1.367 948 I CA -0.872 60.407 61.300 -0.035 0.000 1.178 948 I CB 1.200 39.181 38.000 -0.032 0.000 1.495 948 I HN 0.647 nan 8.210 nan 0.000 0.561 949 T N 2.490 117.027 114.554 -0.028 0.000 3.477 949 T HA 0.486 4.835 4.350 -0.000 0.000 0.277 949 T C 0.053 174.736 174.700 -0.028 0.000 1.090 949 T CA -0.308 61.775 62.100 -0.028 0.000 1.635 949 T CB -0.195 68.656 68.868 -0.028 0.000 0.817 949 T HN 0.386 nan 8.240 nan 0.000 0.609 950 I N 0.356 120.908 120.570 -0.029 0.000 3.060 950 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 950 I C 2.125 178.228 176.117 -0.023 0.000 1.190 950 I CA -0.213 61.071 61.300 -0.026 0.000 1.363 950 I CB 0.399 38.382 38.000 -0.028 0.000 1.396 950 I HN 0.504 nan 8.210 nan 0.000 0.607 951 G N 2.916 111.705 108.800 -0.018 0.000 2.529 951 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 951 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 951 G C 1.348 176.244 174.900 -0.007 0.000 1.177 951 G CA 1.070 46.164 45.100 -0.011 0.000 0.773 951 G HN 0.641 nan 8.290 nan 0.000 0.573 952 I N 0.344 120.907 120.570 -0.012 0.000 2.296 952 I HA -0.005 4.165 4.170 -0.000 0.000 0.242 952 I C 1.057 177.153 176.117 -0.035 0.000 1.087 952 I CA 0.259 61.551 61.300 -0.013 0.000 1.393 952 I CB -0.278 37.715 38.000 -0.013 0.000 1.093 952 I HN 0.062 nan 8.210 nan 0.000 0.421 953 D N 2.943 123.311 120.400 -0.053 0.000 2.668 953 D HA 0.057 4.697 4.640 -0.000 0.000 0.285 953 D C -0.061 176.198 176.300 -0.069 0.000 1.492 953 D CA 1.754 55.706 54.000 -0.080 0.000 1.237 953 D CB -0.835 39.928 40.800 -0.062 0.000 1.153 953 D HN 0.514 nan 8.370 nan 0.000 0.571 954 D N 0.953 121.306 120.400 -0.078 0.000 10.588 954 D HA 0.330 4.970 4.640 -0.000 0.000 0.345 954 D C 0.673 176.963 176.300 -0.015 0.000 3.137 954 D CA 0.503 54.471 54.000 -0.054 0.000 2.636 954 D CB -1.490 39.273 40.800 -0.063 0.000 1.253 954 D HN 1.522 nan 8.370 nan 0.000 0.949 955 A N -2.061 120.761 122.820 0.003 0.000 2.905 955 A HA 0.207 4.527 4.320 -0.000 0.000 0.260 955 A C 0.903 178.516 177.584 0.048 0.000 1.398 955 A CA 1.453 53.511 52.037 0.037 0.000 0.840 955 A CB -2.359 16.660 19.000 0.032 0.000 1.059 955 A HN 2.305 nan 8.150 nan 0.000 0.647 956 V N 1.671 121.616 119.914 0.051 0.000 2.381 956 V HA 0.244 4.364 4.120 -0.000 0.000 0.257 956 V C 0.844 176.989 176.094 0.085 0.000 1.057 956 V CA 0.434 62.781 62.300 0.078 0.000 1.013 956 V CB -0.105 31.797 31.823 0.131 0.000 1.069 956 V HN 0.435 nan 8.190 nan 0.000 0.484 957 I N 7.387 128.001 120.570 0.072 0.000 2.581 957 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 957 I C -1.545 174.610 176.117 0.063 0.000 1.129 957 I CA -1.394 59.944 61.300 0.063 0.000 1.397 957 I CB 0.226 38.259 38.000 0.054 0.000 1.399 957 I HN 0.410 nan 8.210 nan 0.000 0.537 958 P HA -0.007 nan 4.420 nan 0.000 0.263 958 P C 0.589 177.916 177.300 0.046 0.000 1.247 958 P CA 0.093 63.219 63.100 0.044 0.000 0.876 958 P CB 0.816 32.525 31.700 0.016 0.000 0.928 959 E N 3.914 124.148 120.200 0.057 0.000 2.197 959 E HA -0.254 4.096 4.350 -0.000 0.000 0.205 959 E C 0.970 177.615 176.600 0.076 0.000 1.029 959 E CA 1.683 58.120 56.400 0.061 0.000 0.828 959 E CB -0.037 29.698 29.700 0.058 0.000 0.737 959 E HN 0.640 nan 8.360 nan 0.000 0.464 960 E N 0.183 120.433 120.200 0.083 0.000 2.506 960 E HA -0.112 4.238 4.350 -0.000 0.000 0.210 960 E C 1.290 178.004 176.600 0.189 0.000 1.325 960 E CA 0.302 56.788 56.400 0.143 0.000 1.273 960 E CB 0.115 29.907 29.700 0.153 0.000 1.276 960 E HN 0.172 nan 8.360 nan 0.000 0.442 961 K N 0.510 120.982 120.400 0.121 0.000 2.244 961 K HA -0.047 4.272 4.320 -0.000 0.000 0.200 961 K C 1.801 178.518 176.600 0.194 0.000 1.052 961 K CA 0.289 56.631 56.287 0.092 0.000 0.980 961 K CB 0.232 32.755 32.500 0.038 0.000 0.838 961 K HN 0.195 nan 8.250 nan 0.000 0.481 962 Q N 0.809 120.700 119.800 0.153 0.000 2.030 962 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 962 Q C 2.203 178.292 176.000 0.148 0.000 0.986 962 Q CA 1.700 57.584 55.803 0.134 0.000 0.843 962 Q CB -0.340 28.454 28.738 0.094 0.000 0.904 962 Q HN 0.275 nan 8.270 nan 0.000 0.420 963 R N 0.370 120.962 120.500 0.152 0.000 2.133 963 R HA -0.250 4.089 4.340 -0.000 0.000 0.245 963 R C 2.010 178.342 176.300 0.054 0.000 1.137 963 R CA 2.001 58.145 56.100 0.072 0.000 0.947 963 R CB -0.453 29.870 30.300 0.038 0.000 0.865 963 R HN 0.271 nan 8.270 nan 0.000 0.437 964 Y N 0.790 121.108 120.300 0.031 0.000 2.114 964 Y HA -0.124 4.426 4.550 -0.000 0.000 0.284 964 Y C 1.613 177.540 175.900 0.046 0.000 1.143 964 Y CA 0.659 58.779 58.100 0.032 0.000 1.135 964 Y CB -0.441 38.048 38.460 0.049 0.000 0.980 964 Y HN 0.048 nan 8.280 nan 0.000 0.499 965 L N 0.594 121.975 121.223 0.263 0.000 2.461 965 L HA -0.073 4.266 4.340 -0.000 0.000 0.259 965 L C 1.662 178.616 176.870 0.139 0.000 1.248 965 L CA 0.916 55.893 54.840 0.228 0.000 0.823 965 L CB 0.363 42.547 42.059 0.210 0.000 1.111 965 L HN 0.441 nan 8.230 nan 0.000 0.516 966 E N 0.136 120.416 120.200 0.135 0.000 4.609 966 E HA -0.355 3.995 4.350 -0.000 0.000 0.178 966 E C 1.477 178.085 176.600 0.013 0.000 1.274 966 E CA 2.310 58.754 56.400 0.074 0.000 2.344 966 E CB -1.134 28.604 29.700 0.062 0.000 1.833 966 E HN 0.704 nan 8.360 nan 0.000 0.404 967 E N 0.109 120.306 120.200 -0.004 0.000 2.086 967 E HA -0.243 4.107 4.350 -0.000 0.000 0.200 967 E C 2.013 178.553 176.600 -0.099 0.000 1.012 967 E CA 1.786 58.152 56.400 -0.056 0.000 0.812 967 E CB -0.405 29.245 29.700 -0.084 0.000 0.743 967 E HN 0.524 nan 8.360 nan 0.000 0.453 968 A N 1.294 124.044 122.820 -0.117 0.000 1.865 968 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 968 A C 1.912 179.337 177.584 -0.265 0.000 1.191 968 A CA 1.813 53.655 52.037 -0.325 0.000 0.623 968 A CB -0.525 18.172 19.000 -0.504 0.000 0.826 968 A HN 0.183 nan 8.150 nan 0.000 0.444 969 D N -0.517 119.845 120.400 -0.065 0.000 2.098 969 D HA -0.201 4.438 4.640 -0.000 0.000 0.207 969 D C 2.186 178.474 176.300 -0.019 0.000 0.979 969 D CA 1.798 55.809 54.000 0.018 0.000 0.878 969 D CB -0.444 40.415 40.800 0.098 0.000 1.028 969 D HN 0.550 nan 8.370 nan 0.000 0.452 970 R N 1.107 121.603 120.500 -0.007 0.000 2.227 970 R HA -0.224 4.115 4.340 -0.000 0.000 0.259 970 R C 1.353 177.632 176.300 -0.035 0.000 1.139 970 R CA 1.919 58.010 56.100 -0.015 0.000 0.969 970 R CB -0.633 29.656 30.300 -0.018 0.000 0.903 970 R HN 0.083 nan 8.270 nan 0.000 0.452 971 K N 0.312 120.671 120.400 -0.068 0.000 2.745 971 K HA 0.169 4.489 4.320 -0.000 0.000 0.223 971 K C 0.969 177.509 176.600 -0.100 0.000 1.057 971 K CA 0.010 56.246 56.287 -0.085 0.000 1.217 971 K CB 0.237 32.672 32.500 -0.108 0.000 0.993 971 K HN 0.293 nan 8.250 nan 0.000 0.478 972 L N -0.734 120.448 121.223 -0.069 0.000 2.519 972 L HA 0.089 4.429 4.340 -0.000 0.000 0.194 972 L C 1.960 178.828 176.870 -0.004 0.000 1.072 972 L CA 0.214 55.023 54.840 -0.051 0.000 0.845 972 L CB 0.161 42.209 42.059 -0.018 0.000 1.138 972 L HN 0.085 nan 8.230 nan 0.000 0.487 973 R N 0.020 120.527 120.500 0.011 0.000 2.127 973 R HA -0.201 4.138 4.340 -0.000 0.000 0.238 973 R C 1.788 178.102 176.300 0.023 0.000 1.134 973 R CA 1.220 57.337 56.100 0.028 0.000 0.975 973 R CB -0.329 29.987 30.300 0.027 0.000 0.865 973 R HN 0.456 nan 8.270 nan 0.000 0.447 974 Q N -0.160 119.641 119.800 0.002 0.000 2.576 974 Q HA -0.075 4.265 4.340 -0.000 0.000 0.218 974 Q C 1.335 177.339 176.000 0.008 0.000 0.983 974 Q CA 0.548 56.348 55.803 -0.004 0.000 0.920 974 Q CB 0.241 28.963 28.738 -0.027 0.000 0.973 974 Q HN 0.309 nan 8.270 nan 0.000 0.528 975 I N -1.257 119.326 120.570 0.021 0.000 4.922 975 I HA -0.034 4.136 4.170 -0.000 0.000 0.331 975 I C 1.006 177.173 176.117 0.082 0.000 1.260 975 I CA 0.488 61.812 61.300 0.041 0.000 1.366 975 I CB 0.569 38.567 38.000 -0.003 0.000 1.386 975 I HN -0.007 nan 8.210 nan 0.000 0.483 976 E N 0.856 121.099 120.200 0.071 0.000 2.274 976 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 976 E C 1.551 178.231 176.600 0.133 0.000 0.996 976 E CA 0.818 57.280 56.400 0.102 0.000 0.840 976 E CB 0.313 30.061 29.700 0.080 0.000 0.772 976 E HN 0.574 nan 8.360 nan 0.000 0.491 977 Q N -0.366 119.496 119.800 0.103 0.000 2.324 977 Q HA 0.180 4.519 4.340 -0.000 0.000 0.207 977 Q C 1.603 177.671 176.000 0.113 0.000 0.928 977 Q CA 0.573 56.431 55.803 0.091 0.000 0.890 977 Q CB 0.155 28.927 28.738 0.057 0.000 1.001 977 Q HN 0.116 nan 8.270 nan 0.000 0.517 978 A N -0.047 122.844 122.820 0.119 0.000 2.176 978 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 978 A C 0.897 178.631 177.584 0.249 0.000 1.327 978 A CA 0.602 52.726 52.037 0.145 0.000 1.015 978 A CB -0.474 18.586 19.000 0.099 0.000 0.818 978 A HN 0.405 nan 8.150 nan 0.000 0.500 979 Y N -1.713 118.630 120.300 0.072 0.000 2.460 979 Y HA 0.219 4.768 4.550 -0.000 0.000 0.276 979 Y C 1.443 177.375 175.900 0.053 0.000 1.119 979 Y CA 0.319 58.459 58.100 0.067 0.000 1.181 979 Y CB 0.258 38.753 38.460 0.058 0.000 1.304 979 Y HN 0.348 nan 8.280 nan 0.000 0.536 980 E N 0.836 121.060 120.200 0.040 0.000 2.463 980 E HA -0.059 4.291 4.350 -0.000 0.000 0.201 980 E C 0.517 177.075 176.600 -0.071 0.000 1.045 980 E CA 0.662 57.035 56.400 -0.045 0.000 0.872 980 E CB 0.122 29.838 29.700 0.027 0.000 0.797 980 E HN 0.435 nan 8.360 nan 0.000 0.538 981 M N -2.141 117.441 119.600 -0.030 0.000 2.623 981 M HA 0.300 4.780 4.480 -0.000 0.000 0.251 981 M C 1.343 177.622 176.300 -0.035 0.000 1.009 981 M CA -0.141 55.163 55.300 0.007 0.000 1.155 981 M CB 0.681 33.344 32.600 0.105 0.000 1.428 981 M HN -0.085 nan 8.290 nan 0.000 0.640 982 G N -0.295 108.515 108.800 0.017 0.000 3.189 982 G HA2 0.258 4.218 3.960 -0.000 0.000 0.225 982 G HA3 0.258 4.218 3.960 -0.000 0.000 0.225 982 G C -0.423 174.337 174.900 -0.234 0.000 1.159 982 G CA -0.018 45.013 45.100 -0.115 0.000 0.763 982 G HN 0.249 nan 8.290 nan 0.000 0.549 983 F N 0.186 120.156 119.950 0.033 0.000 2.422 983 F HA 0.633 5.160 4.527 -0.000 0.000 0.333 983 F C 0.332 176.208 175.800 0.126 0.000 1.095 983 F CA -0.873 57.164 58.000 0.062 0.000 1.038 983 F CB 1.479 40.507 39.000 0.046 0.000 1.156 983 F HN -0.115 nan 8.300 nan 0.000 0.483 984 L N 1.468 122.833 121.223 0.236 0.000 2.492 984 L HA -0.173 4.167 4.340 -0.000 0.000 0.539 984 L C 0.008 177.036 176.870 0.264 0.000 1.002 984 L CA 0.071 55.039 54.840 0.214 0.000 1.255 984 L CB -1.539 40.647 42.059 0.213 0.000 1.655 984 L HN 0.806 nan 8.230 nan 0.000 0.843 985 T N -0.064 114.597 114.554 0.178 0.000 2.868 985 T HA 0.215 4.565 4.350 -0.000 0.000 0.292 985 T C 1.084 175.887 174.700 0.172 0.000 1.028 985 T CA 0.367 62.599 62.100 0.220 0.000 1.059 985 T CB 1.327 70.262 68.868 0.113 0.000 0.991 985 T HN 0.760 nan 8.240 nan 0.000 0.531 986 D N 1.869 122.390 120.400 0.202 0.000 2.269 986 D HA -0.237 4.403 4.640 -0.000 0.000 0.191 986 D C 2.124 178.378 176.300 -0.075 0.000 1.007 986 D CA 2.241 56.153 54.000 -0.147 0.000 0.855 986 D CB -0.323 40.485 40.800 0.014 0.000 0.979 986 D HN 0.714 nan 8.370 nan 0.000 0.452 987 R N 0.146 120.658 120.500 0.019 0.000 2.136 987 R HA -0.260 4.079 4.340 -0.000 0.000 0.242 987 R C 2.176 178.530 176.300 0.089 0.000 1.131 987 R CA 2.257 58.398 56.100 0.069 0.000 0.937 987 R CB -0.420 29.911 30.300 0.052 0.000 0.863 987 R HN 0.128 nan 8.270 nan 0.000 0.435 988 E N -0.339 119.895 120.200 0.056 0.000 2.273 988 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 988 E C 1.924 178.531 176.600 0.012 0.000 1.002 988 E CA 1.444 57.872 56.400 0.046 0.000 0.828 988 E CB -0.150 29.587 29.700 0.061 0.000 0.747 988 E HN 0.360 nan 8.360 nan 0.000 0.491 989 R N -1.131 119.346 120.500 -0.037 0.000 2.080 989 R HA -0.097 4.243 4.340 -0.000 0.000 0.222 989 R C 2.240 178.500 176.300 -0.066 0.000 1.107 989 R CA 0.779 56.813 56.100 -0.111 0.000 0.980 989 R CB -0.349 29.733 30.300 -0.363 0.000 0.879 989 R HN 0.285 nan 8.270 nan 0.000 0.439 990 Y N 1.912 122.144 120.300 -0.115 0.000 2.114 990 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 990 Y C 1.326 177.211 175.900 -0.026 0.000 1.143 990 Y CA 2.154 60.217 58.100 -0.061 0.000 1.135 990 Y CB -0.417 38.011 38.460 -0.054 0.000 0.980 990 Y HN 0.127 nan 8.280 nan 0.000 0.499 991 D N -0.171 120.203 120.400 -0.042 0.000 2.354 991 D HA -0.152 4.487 4.640 -0.000 0.000 0.216 991 D C 1.851 178.056 176.300 -0.158 0.000 0.970 991 D CA 1.138 55.068 54.000 -0.117 0.000 0.905 991 D CB -0.141 40.693 40.800 0.056 0.000 0.903 991 D HN 0.422 nan 8.370 nan 0.000 0.508 992 Q N -0.469 119.246 119.800 -0.143 0.000 2.134 992 Q HA 0.037 4.377 4.340 -0.000 0.000 0.195 992 Q C 1.989 177.893 176.000 -0.161 0.000 0.958 992 Q CA 0.514 56.245 55.803 -0.119 0.000 0.840 992 Q CB -0.012 28.679 28.738 -0.078 0.000 0.918 992 Q HN 0.118 nan 8.270 nan 0.000 0.467 993 V N 1.038 120.846 119.914 -0.178 0.000 2.490 993 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 993 V C 2.057 178.077 176.094 -0.124 0.000 1.061 993 V CA 1.129 63.345 62.300 -0.140 0.000 1.064 993 V CB -0.644 31.150 31.823 -0.048 0.000 0.670 993 V HN 0.313 nan 8.190 nan 0.000 0.461 994 I N 0.141 120.556 120.570 -0.258 0.000 2.060 994 I HA -0.272 3.898 4.170 -0.000 0.000 0.233 994 I C 2.640 178.706 176.117 -0.084 0.000 1.054 994 I CA 1.901 63.088 61.300 -0.189 0.000 1.318 994 I CB -1.539 36.236 38.000 -0.375 0.000 1.054 994 I HN 0.408 nan 8.210 nan 0.000 0.395 995 Q N 0.547 120.279 119.800 -0.112 0.000 2.242 995 Q HA -0.279 4.061 4.340 -0.000 0.000 0.211 995 Q C 2.178 178.128 176.000 -0.083 0.000 0.992 995 Q CA 1.999 57.759 55.803 -0.072 0.000 0.889 995 Q CB -0.210 28.485 28.738 -0.072 0.000 0.913 995 Q HN 0.392 nan 8.270 nan 0.000 0.422 996 L N 0.072 121.204 121.223 -0.151 0.000 1.910 996 L HA -0.162 4.178 4.340 -0.000 0.000 0.221 996 L C 1.850 178.584 176.870 -0.227 0.000 1.084 996 L CA 2.345 57.023 54.840 -0.270 0.000 0.779 996 L CB -1.378 40.404 42.059 -0.463 0.000 0.888 996 L HN 0.392 nan 8.230 nan 0.000 0.432 997 W N -0.047 121.234 121.300 -0.032 0.000 2.308 997 W HA -0.261 4.399 4.660 -0.000 0.000 0.301 997 W C 2.528 179.037 176.519 -0.017 0.000 1.220 997 W CA 1.639 58.973 57.345 -0.018 0.000 1.240 997 W CB -1.184 28.262 29.460 -0.022 0.000 1.142 997 W HN 0.215 nan 8.180 nan 0.000 0.521 998 T N 0.218 114.873 114.554 0.167 0.000 2.760 998 T HA -0.247 4.102 4.350 -0.000 0.000 0.269 998 T C 1.255 175.995 174.700 0.066 0.000 1.047 998 T CA 1.965 64.120 62.100 0.092 0.000 1.139 998 T CB -0.200 68.691 68.868 0.038 0.000 0.855 998 T HN 0.369 nan 8.240 nan 0.000 0.471 999 E N -0.500 119.726 120.200 0.042 0.000 2.206 999 E HA 0.040 4.389 4.350 -0.000 0.000 0.195 999 E C 2.307 178.949 176.600 0.070 0.000 0.935 999 E CA 0.514 56.935 56.400 0.035 0.000 0.875 999 E CB -0.158 29.541 29.700 -0.002 0.000 0.841 999 E HN 0.216 nan 8.360 nan 0.000 0.477 1000 T N 0.145 114.740 114.554 0.068 0.000 3.025 1000 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 1000 T C 1.822 176.636 174.700 0.191 0.000 1.126 1000 T CA 1.458 63.640 62.100 0.137 0.000 1.105 1000 T CB -0.156 68.755 68.868 0.072 0.000 0.884 1000 T HN 0.026 nan 8.240 nan 0.000 0.522 1001 T N 1.048 115.709 114.554 0.178 0.000 2.852 1001 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 1001 T C 1.742 176.482 174.700 0.066 0.000 1.038 1001 T CA 0.851 63.031 62.100 0.132 0.000 1.141 1001 T CB -0.087 68.857 68.868 0.128 0.000 0.869 1001 T HN 0.529 nan 8.240 nan 0.000 0.439 1002 E N 0.772 121.010 120.200 0.063 0.000 2.209 1002 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 1002 E C 1.927 178.550 176.600 0.038 0.000 0.993 1002 E CA 0.727 57.150 56.400 0.038 0.000 0.819 1002 E CB 0.077 29.798 29.700 0.035 0.000 0.745 1002 E HN 0.152 nan 8.360 nan 0.000 0.477 1003 K N 0.377 120.818 120.400 0.067 0.000 2.426 1003 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 1003 K C 1.706 178.209 176.600 -0.161 0.000 1.028 1003 K CA 0.285 56.623 56.287 0.086 0.000 1.047 1003 K CB 0.589 33.271 32.500 0.303 0.000 0.821 1003 K HN 0.054 nan 8.250 nan 0.000 0.513 1004 V N 0.312 120.123 119.914 -0.172 0.000 2.992 1004 V HA -0.083 4.037 4.120 -0.000 0.000 0.250 1004 V C 1.935 177.952 176.094 -0.129 0.000 1.090 1004 V CA 1.143 63.259 62.300 -0.307 0.000 1.101 1004 V CB -0.089 31.641 31.823 -0.155 0.000 0.743 1004 V HN 0.214 nan 8.190 nan 0.000 0.468 1005 T N -0.036 114.496 114.554 -0.037 0.000 2.545 1005 T HA -0.318 4.032 4.350 -0.000 0.000 0.261 1005 T C 1.892 176.644 174.700 0.087 0.000 1.097 1005 T CA 2.201 64.323 62.100 0.037 0.000 1.189 1005 T CB -0.309 68.565 68.868 0.011 0.000 0.863 1005 T HN 0.467 nan 8.240 nan 0.000 0.405 1006 Q N 0.622 120.454 119.800 0.053 0.000 2.156 1006 Q HA -0.238 4.101 4.340 -0.000 0.000 0.211 1006 Q C 2.256 178.291 176.000 0.057 0.000 0.995 1006 Q CA 1.787 57.638 55.803 0.080 0.000 0.877 1006 Q CB -0.362 28.410 28.738 0.057 0.000 0.920 1006 Q HN 0.546 nan 8.270 nan 0.000 0.416 1007 A N 0.168 122.956 122.820 -0.053 0.000 1.830 1007 A HA -0.207 4.113 4.320 -0.000 0.000 0.214 1007 A C 2.122 179.691 177.584 -0.024 0.000 1.218 1007 A CA 1.739 53.702 52.037 -0.123 0.000 0.628 1007 A CB -1.571 17.150 19.000 -0.465 0.000 0.860 1007 A HN 0.409 nan 8.150 nan 0.000 0.454 1008 V N -1.266 118.637 119.914 -0.018 0.000 2.231 1008 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 1008 V C 2.069 178.235 176.094 0.120 0.000 1.058 1008 V CA 2.693 65.026 62.300 0.055 0.000 1.022 1008 V CB -0.673 31.196 31.823 0.076 0.000 0.640 1008 V HN 0.523 nan 8.190 nan 0.000 0.445 1009 F N 1.647 121.647 119.950 0.084 0.000 2.753 1009 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 1009 F C 1.475 177.367 175.800 0.153 0.000 1.265 1009 F CA 1.214 59.321 58.000 0.178 0.000 1.453 1009 F CB -0.507 38.568 39.000 0.125 0.000 1.118 1009 F HN 0.726 nan 8.300 nan 0.000 0.579 1010 N N -2.691 116.028 118.700 0.031 0.000 2.104 1010 N HA -0.049 4.691 4.740 -0.000 0.000 0.227 1010 N C 1.339 176.724 175.510 -0.208 0.000 1.321 1010 N CA 0.301 53.266 53.050 -0.142 0.000 0.877 1010 N CB -0.645 37.817 38.487 -0.043 0.000 1.117 1010 N HN -0.094 nan 8.380 nan 0.000 0.486 1011 N N 1.641 120.289 118.700 -0.086 0.000 2.036 1011 N HA -0.231 4.509 4.740 -0.000 0.000 0.195 1011 N C 1.453 176.879 175.510 -0.139 0.000 1.037 1011 N CA 2.126 55.120 53.050 -0.093 0.000 0.855 1011 N CB -0.638 37.830 38.487 -0.032 0.000 1.033 1011 N HN 0.459 nan 8.380 nan 0.000 0.423 1012 F N 1.059 120.918 119.950 -0.151 0.000 2.161 1012 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 1012 F C 2.166 177.893 175.800 -0.121 0.000 1.089 1012 F CA 1.639 59.572 58.000 -0.112 0.000 1.282 1012 F CB -0.970 37.982 39.000 -0.081 0.000 1.010 1012 F HN 0.153 nan 8.300 nan 0.000 0.485 1013 E N 0.556 120.110 120.200 -1.077 0.000 2.208 1013 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 1013 E C 1.395 177.767 176.600 -0.380 0.000 1.014 1013 E CA 2.161 58.041 56.400 -0.866 0.000 0.819 1013 E CB -0.182 29.144 29.700 -0.624 0.000 0.735 1013 E HN 0.821 nan 8.360 nan 0.000 0.469 1014 E N -1.205 118.832 120.200 -0.272 0.000 2.508 1014 E HA 0.116 4.466 4.350 -0.000 0.000 0.217 1014 E C -0.332 176.172 176.600 -0.160 0.000 0.896 1014 E CA -0.167 56.129 56.400 -0.173 0.000 1.118 1014 E CB 0.609 30.220 29.700 -0.147 0.000 1.133 1014 E HN 0.034 nan 8.360 nan 0.000 0.526 1015 N N 1.039 119.597 118.700 -0.236 0.000 2.617 1015 N HA 0.172 4.911 4.740 -0.000 0.000 0.263 1015 N C -1.661 173.541 175.510 -0.514 0.000 1.074 1015 N CA -0.454 52.333 53.050 -0.439 0.000 0.841 1015 N CB 0.706 38.793 38.487 -0.667 0.000 1.221 1015 N HN 0.032 nan 8.380 nan 0.000 0.529 1016 Y N -0.650 119.719 120.300 0.114 0.000 2.966 1016 Y HA -0.093 4.457 4.550 -0.000 0.000 0.074 1016 Y C -2.078 173.967 175.900 0.242 0.000 2.405 1016 Y CA -1.096 57.105 58.100 0.168 0.000 1.152 1016 Y CB -1.793 36.757 38.460 0.149 0.000 1.845 1016 Y HN 0.385 nan 8.280 nan 0.000 0.288 1017 P HA 0.104 nan 4.420 nan 0.000 0.245 1017 P C 0.787 177.964 177.300 -0.206 0.000 1.206 1017 P CA 1.137 64.298 63.100 0.102 0.000 0.781 1017 P CB 0.215 31.880 31.700 -0.058 0.000 0.994 1018 F N -0.460 119.554 119.950 0.107 0.000 2.102 1018 F HA 0.184 4.711 4.527 -0.000 0.000 0.254 1018 F C 2.133 177.966 175.800 0.054 0.000 0.975 1018 F CA -0.105 57.897 58.000 0.003 0.000 1.176 1018 F CB -1.147 37.787 39.000 -0.109 0.000 1.358 1018 F HN -0.297 nan 8.300 nan 0.000 0.728 1019 N N 1.165 120.046 118.700 0.302 0.000 2.287 1019 N HA -0.208 4.531 4.740 -0.000 0.000 0.195 1019 N C -1.832 173.668 175.510 -0.017 0.000 0.922 1019 N CA 1.491 54.579 53.050 0.063 0.000 0.929 1019 N CB -2.549 35.845 38.487 -0.156 0.000 1.068 1019 N HN 0.196 nan 8.380 nan 0.000 0.696 1020 P HA 0.116 nan 4.420 nan 0.000 0.268 1020 P C 0.600 177.844 177.300 -0.094 0.000 1.485 1020 P CA 0.102 63.123 63.100 -0.131 0.000 1.102 1020 P CB -0.141 31.363 31.700 -0.326 0.000 1.501 1021 L N 1.191 122.400 121.223 -0.023 0.000 2.633 1021 L HA -0.141 4.199 4.340 -0.000 0.000 0.235 1021 L C 1.827 178.676 176.870 -0.034 0.000 1.163 1021 L CA 0.951 55.807 54.840 0.027 0.000 0.859 1021 L CB -0.790 41.285 42.059 0.026 0.000 0.973 1021 L HN 0.374 nan 8.230 nan 0.000 0.451 1022 Y N -1.045 119.201 120.300 -0.089 0.000 2.811 1022 Y HA 0.444 4.994 4.550 -0.000 0.000 0.330 1022 Y C 1.321 177.104 175.900 -0.194 0.000 1.081 1022 Y CA 0.038 58.079 58.100 -0.098 0.000 1.408 1022 Y CB 0.237 38.655 38.460 -0.070 0.000 1.235 1022 Y HN 0.045 nan 8.280 nan 0.000 0.529 1023 V N -1.243 118.519 119.914 -0.254 0.000 3.119 1023 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 1023 V C 1.939 177.836 176.094 -0.327 0.000 1.598 1023 V CA 0.914 62.937 62.300 -0.462 0.000 1.116 1023 V CB 0.501 31.683 31.823 -1.069 0.000 0.981 1023 V HN 0.539 nan 8.190 nan 0.000 0.430 1024 M N 0.746 120.226 119.600 -0.200 0.000 2.108 1024 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 1024 M C 2.192 178.291 176.300 -0.336 0.000 1.066 1024 M CA 2.273 57.422 55.300 -0.251 0.000 1.107 1024 M CB -1.825 30.804 32.600 0.048 0.000 1.356 1024 M HN 0.377 nan 8.290 nan 0.000 0.406 1025 A N 0.379 123.095 122.820 -0.173 0.000 1.824 1025 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 1025 A C 2.469 179.985 177.584 -0.114 0.000 1.209 1025 A CA 3.361 55.320 52.037 -0.129 0.000 0.614 1025 A CB -1.486 17.474 19.000 -0.068 0.000 0.852 1025 A HN 0.487 nan 8.150 nan 0.000 0.447 1026 Q N -0.916 118.845 119.800 -0.065 0.000 2.105 1026 Q HA -0.340 4.000 4.340 -0.000 0.000 0.217 1026 Q C 2.233 178.286 176.000 0.088 0.000 1.029 1026 Q CA 2.984 58.816 55.803 0.048 0.000 0.899 1026 Q CB -1.746 27.055 28.738 0.105 0.000 1.000 1026 Q HN 0.668 nan 8.270 nan 0.000 0.414 1027 S N -0.320 115.395 115.700 0.025 0.000 2.720 1027 S HA 0.445 4.915 4.470 -0.000 0.000 0.222 1027 S C 0.709 175.278 174.600 -0.051 0.000 0.958 1027 S CA 0.739 58.984 58.200 0.076 0.000 0.943 1027 S CB -0.251 63.039 63.200 0.150 0.000 0.779 1027 S HN 1.628 nan 8.310 nan 0.000 0.526 1028 G N -0.048 108.685 108.800 -0.111 0.000 2.344 1028 G HA2 0.442 4.402 3.960 -0.000 0.000 0.252 1028 G HA3 0.442 4.402 3.960 -0.000 0.000 0.252 1028 G C -0.199 174.594 174.900 -0.179 0.000 1.415 1028 G CA -0.382 44.650 45.100 -0.113 0.000 1.224 1028 G HN 0.554 nan 8.290 nan 0.000 0.616 1029 A N 0.286 123.043 122.820 -0.104 0.000 3.435 1029 A HA 0.870 5.189 4.320 -0.000 0.000 0.109 1029 A C 1.170 178.726 177.584 -0.046 0.000 1.331 1029 A CA 1.579 53.566 52.037 -0.085 0.000 1.444 1029 A CB -0.728 18.193 19.000 -0.131 0.000 1.232 1029 A HN 2.240 nan 8.150 nan 0.000 0.553 1030 R N 0.555 121.028 120.500 -0.045 0.000 2.617 1030 R HA 0.638 4.977 4.340 -0.000 0.000 0.432 1030 R C 0.787 177.077 176.300 -0.017 0.000 1.018 1030 R CA 1.364 57.450 56.100 -0.023 0.000 1.077 1030 R CB -0.155 30.135 30.300 -0.017 0.000 1.394 1030 R HN 1.971 nan 8.270 nan 0.000 0.608 1031 G N 0.188 108.978 108.800 -0.017 0.000 3.267 1031 G HA2 0.478 4.437 3.960 -0.000 0.000 0.200 1031 G HA3 0.478 4.437 3.960 -0.000 0.000 0.200 1031 G C -0.156 174.747 174.900 0.006 0.000 1.603 1031 G CA 0.177 45.276 45.100 -0.002 0.000 0.753 1031 G HN 1.368 nan 8.290 nan 0.000 0.755 1032 N N -0.872 117.840 118.700 0.020 0.000 8.067 1032 N HA -0.051 4.689 4.740 -0.000 0.000 0.048 1032 N C -2.132 173.360 175.510 -0.031 0.000 1.190 1032 N CA 0.317 53.361 53.050 -0.009 0.000 1.737 1032 N CB 0.032 38.509 38.487 -0.017 0.000 0.911 1032 N HN 0.236 nan 8.380 nan 0.000 1.348 1033 P HA -0.319 nan 4.420 nan 0.000 0.216 1033 P C 1.181 178.371 177.300 -0.184 0.000 1.150 1033 P CA 1.937 64.820 63.100 -0.363 0.000 0.843 1033 P CB 0.205 31.415 31.700 -0.816 0.000 0.787 1034 Q N 0.512 120.236 119.800 -0.127 0.000 2.156 1034 Q HA -0.266 4.073 4.340 -0.000 0.000 0.211 1034 Q C 2.418 178.406 176.000 -0.019 0.000 0.995 1034 Q CA 2.397 58.159 55.803 -0.068 0.000 0.877 1034 Q CB -1.122 27.589 28.738 -0.045 0.000 0.920 1034 Q HN 0.120 nan 8.270 nan 0.000 0.416 1035 Q N -0.506 119.297 119.800 0.006 0.000 2.062 1035 Q HA 0.053 4.393 4.340 -0.000 0.000 0.196 1035 Q C 1.970 178.027 176.000 0.094 0.000 0.967 1035 Q CA 1.405 57.243 55.803 0.058 0.000 0.832 1035 Q CB -0.190 28.581 28.738 0.055 0.000 0.899 1035 Q HN 0.536 nan 8.270 nan 0.000 0.442 1036 I N 1.392 122.026 120.570 0.107 0.000 2.145 1036 I HA -0.356 3.814 4.170 -0.000 0.000 0.244 1036 I C 2.256 178.486 176.117 0.188 0.000 1.075 1036 I CA 2.154 63.570 61.300 0.193 0.000 1.332 1036 I CB -1.365 36.894 38.000 0.431 0.000 1.033 1036 I HN 0.414 nan 8.210 nan 0.000 0.410 1037 R N 1.331 121.914 120.500 0.139 0.000 2.241 1037 R HA -0.188 4.152 4.340 -0.000 0.000 0.224 1037 R C 2.016 178.352 176.300 0.061 0.000 1.101 1037 R CA 1.434 57.596 56.100 0.103 0.000 0.995 1037 R CB -0.420 29.902 30.300 0.037 0.000 0.870 1037 R HN 0.490 nan 8.270 nan 0.000 0.463 1038 Q N 0.431 120.272 119.800 0.070 0.000 2.250 1038 Q HA 0.064 4.404 4.340 -0.000 0.000 0.200 1038 Q C 1.917 178.009 176.000 0.153 0.000 0.941 1038 Q CA 0.473 56.302 55.803 0.042 0.000 0.872 1038 Q CB 0.210 28.988 28.738 0.067 0.000 0.965 1038 Q HN 0.443 nan 8.270 nan 0.000 0.480 1039 L N -0.633 120.726 121.223 0.228 0.000 2.270 1039 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 1039 L C 1.620 178.597 176.870 0.178 0.000 1.104 1039 L CA 0.491 55.495 54.840 0.273 0.000 0.804 1039 L CB 0.202 42.366 42.059 0.175 0.000 0.937 1039 L HN 0.405 nan 8.230 nan 0.000 0.450 1040 C N -1.727 117.649 119.300 0.126 0.000 3.215 1040 C HA 0.406 4.866 4.460 -0.000 0.000 0.208 1040 C C 1.512 176.541 174.990 0.065 0.000 2.291 1040 C CA -0.216 58.858 59.018 0.095 0.000 1.285 1040 C CB -1.135 26.661 27.740 0.093 0.000 1.320 1040 C HN 0.385 nan 8.230 nan 0.000 0.759 1041 G N 2.165 110.999 108.800 0.056 0.000 2.569 1041 G HA2 0.422 4.381 3.960 -0.000 0.000 0.249 1041 G HA3 0.422 4.381 3.960 -0.000 0.000 0.249 1041 G C 0.139 175.039 174.900 0.000 0.000 1.216 1041 G CA -0.131 44.981 45.100 0.020 0.000 0.845 1041 G HN 0.477 nan 8.290 nan 0.000 0.568 1042 M N 0.861 120.449 119.600 -0.020 0.000 2.250 1042 M HA 0.249 4.729 4.480 -0.000 0.000 0.325 1042 M C 0.065 176.318 176.300 -0.079 0.000 1.084 1042 M CA 0.268 55.531 55.300 -0.061 0.000 1.161 1042 M CB 0.328 32.893 32.600 -0.059 0.000 1.481 1042 M HN 0.666 nan 8.290 nan 0.000 0.449 1043 R N 2.171 122.584 120.500 -0.145 0.000 2.599 1043 R HA 0.783 5.123 4.340 -0.000 0.000 0.295 1043 R C -0.012 176.181 176.300 -0.178 0.000 0.963 1043 R CA -0.519 55.493 56.100 -0.146 0.000 0.883 1043 R CB 1.459 31.639 30.300 -0.200 0.000 1.171 1043 R HN 0.845 nan 8.270 nan 0.000 0.450 1044 G N 2.045 110.754 108.800 -0.151 0.000 2.675 1044 G HA2 0.065 4.025 3.960 -0.000 0.000 0.202 1044 G HA3 0.065 4.025 3.960 -0.000 0.000 0.202 1044 G C -0.529 174.262 174.900 -0.182 0.000 1.252 1044 G CA -0.384 44.588 45.100 -0.214 0.000 0.627 1044 G HN 0.315 nan 8.290 nan 0.000 0.921 1045 L N 2.310 123.473 121.223 -0.101 0.000 2.742 1045 L HA 0.364 4.704 4.340 -0.000 0.000 0.275 1045 L C 0.158 177.016 176.870 -0.020 0.000 1.141 1045 L CA 0.266 55.087 54.840 -0.032 0.000 0.987 1045 L CB 0.239 42.324 42.059 0.044 0.000 1.319 1045 L HN 0.180 nan 8.230 nan 0.000 0.478 1046 M N 3.704 123.287 119.600 -0.028 0.000 2.367 1046 M HA 0.350 4.829 4.480 -0.000 0.000 0.339 1046 M C -0.161 176.257 176.300 0.196 0.000 1.177 1046 M CA -0.263 55.022 55.300 -0.025 0.000 1.068 1046 M CB 1.563 34.022 32.600 -0.235 0.000 1.602 1046 M HN 0.609 nan 8.290 nan 0.000 0.457 1047 Q N 2.937 122.840 119.800 0.172 0.000 2.230 1047 Q HA 0.496 4.835 4.340 -0.000 0.000 0.253 1047 Q C -0.953 175.212 176.000 0.275 0.000 0.919 1047 Q CA -0.859 55.071 55.803 0.211 0.000 0.908 1047 Q CB 1.639 30.435 28.738 0.098 0.000 1.245 1047 Q HN 0.534 nan 8.270 nan 0.000 0.437 1048 K N 1.756 122.217 120.400 0.102 0.000 2.118 1048 K HA 0.138 4.458 4.320 -0.000 0.000 0.240 1048 K C -1.603 174.964 176.600 -0.055 0.000 1.035 1048 K CA -1.635 54.584 56.287 -0.114 0.000 0.899 1048 K CB 0.280 32.486 32.500 -0.491 0.000 1.085 1048 K HN 0.523 nan 8.250 nan 0.000 0.498 1049 P HA -0.173 nan 4.420 nan 0.000 0.215 1049 P C 0.516 177.833 177.300 0.029 0.000 1.157 1049 P CA 1.540 64.691 63.100 0.085 0.000 0.874 1049 P CB -0.055 31.754 31.700 0.181 0.000 0.790 1050 S N -0.519 115.173 115.700 -0.014 0.000 3.456 1050 S HA 0.367 4.837 4.470 -0.000 0.000 0.229 1050 S C 1.158 175.741 174.600 -0.029 0.000 1.416 1050 S CA -0.138 58.050 58.200 -0.019 0.000 1.197 1050 S CB -1.722 61.457 63.200 -0.035 0.000 1.201 1050 S HN 0.369 nan 8.310 nan 0.000 0.479 1051 G N 0.469 109.264 108.800 -0.008 0.000 2.242 1051 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.265 1051 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.265 1051 G C 0.491 175.384 174.900 -0.011 0.000 0.832 1051 G CA 0.403 45.505 45.100 0.003 0.000 1.181 1051 G HN 1.068 nan 8.290 nan 0.000 0.428 1052 E N -0.209 119.963 120.200 -0.048 0.000 2.603 1052 E HA 0.477 4.827 4.350 -0.000 0.000 0.211 1052 E C 0.907 177.492 176.600 -0.025 0.000 0.995 1052 E CA 1.056 57.413 56.400 -0.071 0.000 0.990 1052 E CB -0.345 29.259 29.700 -0.160 0.000 1.036 1052 E HN 2.048 nan 8.360 nan 0.000 0.475 1053 T N 0.421 115.001 114.554 0.044 0.000 0.551 1053 T HA -0.189 4.161 4.350 -0.000 0.000 0.773 1053 T C 0.013 174.814 174.700 0.169 0.000 0.992 1053 T CA 0.344 62.537 62.100 0.154 0.000 4.070 1053 T CB -1.499 67.475 68.868 0.177 0.000 2.299 1053 T HN 0.385 nan 8.240 nan 0.000 0.397 1054 F N 3.621 123.596 119.950 0.042 0.000 2.539 1054 F HA 0.253 4.780 4.527 -0.000 0.000 0.340 1054 F C 1.895 177.754 175.800 0.098 0.000 1.185 1054 F CA -0.219 57.812 58.000 0.050 0.000 1.333 1054 F CB 0.365 39.363 39.000 -0.003 0.000 1.152 1054 F HN 0.701 nan 8.300 nan 0.000 0.602 1055 E N 0.109 120.480 120.200 0.285 0.000 2.445 1055 E HA 0.152 4.502 4.350 -0.000 0.000 0.189 1055 E C -0.949 175.754 176.600 0.172 0.000 1.069 1055 E CA 0.089 56.629 56.400 0.233 0.000 0.871 1055 E CB 0.370 30.210 29.700 0.233 0.000 0.991 1055 E HN 0.179 nan 8.360 nan 0.000 0.481 1056 V N 2.876 122.860 119.914 0.116 0.000 2.488 1056 V HA 0.210 4.330 4.120 -0.000 0.000 0.293 1056 V C -1.954 173.997 176.094 -0.237 0.000 1.027 1056 V CA -1.570 60.690 62.300 -0.066 0.000 0.862 1056 V CB 1.810 33.625 31.823 -0.013 0.000 1.008 1056 V HN 0.080 nan 8.190 nan 0.000 0.428 1057 P HA 0.354 nan 4.420 nan 0.000 0.312 1057 P C -0.989 176.040 177.300 -0.451 0.000 1.307 1057 P CA -0.093 62.675 63.100 -0.554 0.000 0.738 1057 P CB 1.032 32.157 31.700 -0.958 0.000 1.422 1058 V N -3.487 116.197 119.914 -0.385 0.000 2.623 1058 V HA 0.659 4.779 4.120 -0.000 0.000 0.304 1058 V C 0.408 176.353 176.094 -0.249 0.000 1.054 1058 V CA -1.007 61.120 62.300 -0.290 0.000 0.882 1058 V CB 0.898 32.575 31.823 -0.244 0.000 1.002 1058 V HN 0.668 nan 8.190 nan 0.000 0.424 1059 R N 1.076 121.458 120.500 -0.196 0.000 2.296 1059 R HA 0.733 5.072 4.340 -0.000 0.000 0.327 1059 R C 0.108 176.347 176.300 -0.101 0.000 1.137 1059 R CA -0.147 55.876 56.100 -0.129 0.000 1.020 1059 R CB 0.559 30.807 30.300 -0.086 0.000 1.110 1059 R HN 0.813 nan 8.270 nan 0.000 0.499 1060 S N 0.784 116.410 115.700 -0.125 0.000 2.488 1060 S HA 0.122 4.591 4.470 -0.000 0.000 0.151 1060 S C 0.609 175.131 174.600 -0.130 0.000 1.401 1060 S CA -0.423 57.707 58.200 -0.117 0.000 1.221 1060 S CB 1.187 64.282 63.200 -0.175 0.000 1.407 1060 S HN 0.674 nan 8.310 nan 0.000 0.406 1061 S N 1.425 117.109 115.700 -0.027 0.000 2.520 1061 S HA -0.101 4.369 4.470 -0.000 0.000 0.249 1061 S C 1.085 175.777 174.600 0.154 0.000 0.983 1061 S CA 0.706 58.924 58.200 0.030 0.000 0.958 1061 S CB -0.453 62.780 63.200 0.055 0.000 0.750 1061 S HN 0.712 nan 8.310 nan 0.000 0.527 1062 F N -0.179 119.782 119.950 0.019 0.000 2.563 1062 F HA -0.354 4.172 4.527 -0.000 0.000 0.667 1062 F C 1.972 177.785 175.800 0.022 0.000 0.490 1062 F CA 1.593 59.608 58.000 0.026 0.000 0.776 1062 F CB -1.402 37.612 39.000 0.022 0.000 1.646 1062 F HN 0.237 nan 8.300 nan 0.000 0.262 1063 R N 1.358 121.998 120.500 0.233 0.000 2.115 1063 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 1063 R C 1.473 177.828 176.300 0.093 0.000 1.133 1063 R CA 2.397 58.571 56.100 0.123 0.000 0.935 1063 R CB -0.703 29.655 30.300 0.097 0.000 0.853 1063 R HN 0.658 nan 8.270 nan 0.000 0.433 1064 E N -0.239 120.014 120.200 0.088 0.000 2.499 1064 E HA 0.215 4.565 4.350 -0.000 0.000 0.207 1064 E C -0.334 176.309 176.600 0.072 0.000 1.034 1064 E CA 0.292 56.731 56.400 0.065 0.000 1.098 1064 E CB -0.057 29.673 29.700 0.050 0.000 1.148 1064 E HN 0.583 nan 8.360 nan 0.000 0.447 1065 G N 0.620 109.486 108.800 0.110 0.000 2.352 1065 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.324 1065 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.324 1065 G C -0.603 174.395 174.900 0.162 0.000 1.249 1065 G CA -0.254 44.920 45.100 0.123 0.000 1.053 1065 G HN 0.207 nan 8.290 nan 0.000 0.492 1066 L N -0.148 121.154 121.223 0.131 0.000 4.241 1066 L HA 0.261 4.600 4.340 -0.000 0.000 0.426 1066 L C 2.001 178.930 176.870 0.099 0.000 1.173 1066 L CA 1.503 56.411 54.840 0.112 0.000 1.461 1066 L CB -0.882 41.319 42.059 0.237 0.000 1.481 1066 L HN 0.924 nan 8.230 nan 0.000 0.591 1067 T N -0.402 114.191 114.554 0.066 0.000 2.932 1067 T HA -0.177 4.172 4.350 -0.000 0.000 0.269 1067 T C 2.077 176.798 174.700 0.035 0.000 1.131 1067 T CA 1.608 63.731 62.100 0.038 0.000 1.107 1067 T CB -0.392 68.490 68.868 0.023 0.000 0.824 1067 T HN 0.240 nan 8.240 nan 0.000 0.552 1068 V N 0.841 120.775 119.914 0.033 0.000 2.428 1068 V HA -0.259 3.860 4.120 -0.000 0.000 0.255 1068 V C 1.952 178.070 176.094 0.041 0.000 1.080 1068 V CA 1.916 64.226 62.300 0.016 0.000 1.083 1068 V CB -0.927 30.887 31.823 -0.015 0.000 0.665 1068 V HN 0.683 nan 8.190 nan 0.000 0.461 1069 L N -1.165 120.108 121.223 0.084 0.000 4.884 1069 L HA -0.312 4.028 4.340 -0.000 0.000 0.430 1069 L C 1.226 178.189 176.870 0.155 0.000 1.087 1069 L CA 1.361 56.269 54.840 0.114 0.000 1.033 1069 L CB -0.914 41.178 42.059 0.055 0.000 2.030 1069 L HN 0.398 nan 8.230 nan 0.000 0.762 1070 E N -1.015 119.246 120.200 0.102 0.000 2.512 1070 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 1070 E C 1.261 177.916 176.600 0.092 0.000 1.083 1070 E CA 0.661 57.097 56.400 0.059 0.000 0.873 1070 E CB -0.197 29.468 29.700 -0.057 0.000 0.897 1070 E HN 0.719 nan 8.360 nan 0.000 0.514 1071 Y N -0.562 119.751 120.300 0.021 0.000 2.271 1071 Y HA -0.340 4.210 4.550 -0.000 0.000 0.284 1071 Y C 1.533 177.448 175.900 0.024 0.000 1.189 1071 Y CA 1.858 59.969 58.100 0.019 0.000 1.229 1071 Y CB -0.228 38.264 38.460 0.053 0.000 0.973 1071 Y HN 0.311 nan 8.280 nan 0.000 0.537 1072 F N -0.312 119.706 119.950 0.114 0.000 2.060 1072 F HA -0.184 4.343 4.527 -0.000 0.000 0.295 1072 F C 1.970 177.804 175.800 0.057 0.000 1.120 1072 F CA 1.554 59.602 58.000 0.080 0.000 1.205 1072 F CB -0.676 38.382 39.000 0.097 0.000 0.986 1072 F HN -0.040 nan 8.300 nan 0.000 0.470 1073 I N 0.836 121.468 120.570 0.103 0.000 2.367 1073 I HA -0.367 3.802 4.170 -0.000 0.000 0.256 1073 I C 2.495 178.431 176.117 -0.302 0.000 1.132 1073 I CA 1.964 63.072 61.300 -0.319 0.000 1.397 1073 I CB -1.022 36.494 38.000 -0.808 0.000 1.074 1073 I HN 0.356 nan 8.210 nan 0.000 0.435 1074 S N -1.488 114.066 115.700 -0.243 0.000 2.483 1074 S HA -0.034 4.436 4.470 -0.000 0.000 0.221 1074 S C 2.038 176.504 174.600 -0.224 0.000 1.030 1074 S CA 0.317 58.382 58.200 -0.227 0.000 0.925 1074 S CB -0.720 62.310 63.200 -0.283 0.000 0.795 1074 S HN 0.506 nan 8.310 nan 0.000 0.511 1075 S N 2.360 117.860 115.700 -0.333 0.000 2.413 1075 S HA -0.320 4.149 4.470 -0.000 0.000 0.237 1075 S C 1.732 176.139 174.600 -0.321 0.000 1.044 1075 S CA 1.428 59.403 58.200 -0.374 0.000 1.024 1075 S CB -1.270 61.636 63.200 -0.491 0.000 0.829 1075 S HN 0.681 nan 8.310 nan 0.000 0.475 1076 H N 1.647 120.535 119.070 -0.303 0.000 2.280 1076 H HA -0.067 4.488 4.556 -0.000 0.000 0.294 1076 H C 2.720 177.990 175.328 -0.098 0.000 1.064 1076 H CA 1.798 57.746 56.048 -0.167 0.000 1.208 1076 H CB -1.219 28.503 29.762 -0.067 0.000 1.365 1076 H HN 0.578 nan 8.280 nan 0.000 0.511 1077 G N 0.670 109.517 108.800 0.078 0.000 2.469 1077 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 1077 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 1077 G C 1.977 176.865 174.900 -0.020 0.000 1.136 1077 G CA 1.578 46.693 45.100 0.025 0.000 0.759 1077 G HN 0.548 nan 8.290 nan 0.000 0.562 1078 A N 0.426 123.208 122.820 -0.064 0.000 1.954 1078 A HA -0.214 4.106 4.320 -0.000 0.000 0.222 1078 A C 2.438 179.992 177.584 -0.052 0.000 1.199 1078 A CA 2.083 54.073 52.037 -0.078 0.000 0.657 1078 A CB -0.294 18.628 19.000 -0.131 0.000 0.823 1078 A HN 0.366 nan 8.150 nan 0.000 0.463 1079 R N -0.726 119.742 120.500 -0.053 0.000 1.802 1079 R HA 0.091 4.431 4.340 -0.000 0.000 0.149 1079 R C 1.828 178.121 176.300 -0.012 0.000 1.595 1079 R CA 0.812 56.891 56.100 -0.035 0.000 1.574 1079 R CB -1.164 29.107 30.300 -0.047 0.000 0.923 1079 R HN 0.718 nan 8.270 nan 0.000 0.524 1080 K N -0.608 119.792 120.400 0.000 0.000 4.389 1080 K HA -0.314 4.006 4.320 -0.000 0.000 0.336 1080 K C 1.709 178.316 176.600 0.011 0.000 0.673 1080 K CA 2.518 58.814 56.287 0.015 0.000 1.208 1080 K CB -2.062 30.454 32.500 0.027 0.000 0.819 1080 K HN 0.457 nan 8.250 nan 0.000 0.767 1081 G N 0.170 108.975 108.800 0.009 0.000 2.564 1081 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.216 1081 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.216 1081 G C 1.393 176.296 174.900 0.006 0.000 1.124 1081 G CA 0.959 46.065 45.100 0.009 0.000 0.764 1081 G HN 0.738 nan 8.290 nan 0.000 0.550 1082 G N 0.721 109.522 108.800 0.002 0.000 2.396 1082 G HA2 0.153 4.113 3.960 -0.000 0.000 0.214 1082 G HA3 0.153 4.113 3.960 -0.000 0.000 0.214 1082 G C 1.925 176.828 174.900 0.005 0.000 1.166 1082 G CA 1.120 46.220 45.100 -0.000 0.000 0.793 1082 G HN 0.501 nan 8.290 nan 0.000 0.533 1083 A N 0.427 123.251 122.820 0.007 0.000 2.015 1083 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 1083 A C 2.012 179.606 177.584 0.016 0.000 1.163 1083 A CA 1.803 53.847 52.037 0.012 0.000 0.646 1083 A CB -0.313 18.695 19.000 0.013 0.000 0.806 1083 A HN 0.321 nan 8.150 nan 0.000 0.448 1084 D N 0.064 120.473 120.400 0.016 0.000 2.075 1084 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 1084 D C 2.249 178.561 176.300 0.020 0.000 0.985 1084 D CA 2.445 56.457 54.000 0.020 0.000 0.834 1084 D CB -0.298 40.513 40.800 0.018 0.000 0.987 1084 D HN 0.484 nan 8.370 nan 0.000 0.452 1085 T N -0.623 113.940 114.554 0.015 0.000 2.896 1085 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 1085 T C 1.754 176.464 174.700 0.016 0.000 1.104 1085 T CA 1.466 63.574 62.100 0.013 0.000 1.115 1085 T CB -0.541 68.332 68.868 0.009 0.000 0.843 1085 T HN 0.140 nan 8.240 nan 0.000 0.523 1086 A N 0.672 123.503 122.820 0.017 0.000 2.277 1086 A HA 0.284 4.603 4.320 -0.000 0.000 0.208 1086 A C 1.940 179.540 177.584 0.026 0.000 1.202 1086 A CA 0.704 52.752 52.037 0.018 0.000 0.762 1086 A CB -0.832 18.179 19.000 0.018 0.000 0.770 1086 A HN 0.574 nan 8.150 nan 0.000 0.487 1087 L N -0.546 120.695 121.223 0.029 0.000 2.622 1087 L HA 0.032 4.372 4.340 -0.000 0.000 0.233 1087 L C 1.982 178.874 176.870 0.038 0.000 1.156 1087 L CA 1.177 56.040 54.840 0.040 0.000 0.866 1087 L CB -0.656 41.425 42.059 0.036 0.000 0.980 1087 L HN 0.511 nan 8.230 nan 0.000 0.448 1088 R N -1.085 119.431 120.500 0.027 0.000 2.070 1088 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 1088 R C 1.597 177.913 176.300 0.027 0.000 1.138 1088 R CA 2.100 58.213 56.100 0.022 0.000 0.936 1088 R CB -0.423 29.885 30.300 0.013 0.000 0.839 1088 R HN 0.362 nan 8.270 nan 0.000 0.429 1089 T N 0.299 114.869 114.554 0.026 0.000 3.081 1089 T HA 0.150 4.500 4.350 -0.000 0.000 0.255 1089 T C 1.440 176.167 174.700 0.045 0.000 1.113 1089 T CA 0.583 62.697 62.100 0.024 0.000 1.082 1089 T CB 0.202 69.076 68.868 0.010 0.000 0.939 1089 T HN 0.438 nan 8.240 nan 0.000 0.506 1090 A N 1.285 124.142 122.820 0.063 0.000 2.024 1090 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 1090 A C 1.825 179.517 177.584 0.179 0.000 1.164 1090 A CA 1.285 53.388 52.037 0.109 0.000 0.643 1090 A CB -0.123 18.935 19.000 0.098 0.000 0.806 1090 A HN 0.330 nan 8.150 nan 0.000 0.451 1091 D N -0.903 119.574 120.400 0.127 0.000 2.538 1091 D HA 0.172 4.812 4.640 -0.000 0.000 0.231 1091 D C -0.567 175.796 176.300 0.105 0.000 1.229 1091 D CA 0.145 54.228 54.000 0.139 0.000 0.828 1091 D CB 0.319 41.170 40.800 0.084 0.000 1.035 1091 D HN 0.194 nan 8.370 nan 0.000 0.495 1092 S N -0.661 115.089 115.700 0.083 0.000 2.474 1092 S HA 0.479 4.948 4.470 -0.000 0.000 0.320 1092 S C 0.849 175.470 174.600 0.035 0.000 1.067 1092 S CA 0.160 58.385 58.200 0.043 0.000 1.127 1092 S CB 0.472 63.683 63.200 0.019 0.000 0.971 1092 S HN 0.383 nan 8.310 nan 0.000 0.472 1093 G N 3.488 112.314 108.800 0.044 0.000 2.144 1093 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 1093 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 1093 G C -0.245 174.700 174.900 0.075 0.000 0.988 1093 G CA -0.055 45.056 45.100 0.018 0.000 0.659 1093 G HN 0.648 nan 8.290 nan 0.000 0.522 1094 Y N -1.632 118.672 120.300 0.006 0.000 2.638 1094 Y HA 0.452 5.001 4.550 -0.000 0.000 0.339 1094 Y C 1.090 177.003 175.900 0.021 0.000 1.084 1094 Y CA -0.994 57.118 58.100 0.020 0.000 1.068 1094 Y CB 1.211 39.690 38.460 0.032 0.000 1.294 1094 Y HN 0.542 nan 8.280 nan 0.000 0.480 1095 L N 0.558 121.858 121.223 0.127 0.000 3.676 1095 L HA -0.482 3.857 4.340 -0.000 0.000 0.053 1095 L C 1.649 178.515 176.870 -0.006 0.000 4.206 1095 L CA 3.049 57.877 54.840 -0.020 0.000 0.845 1095 L CB -1.998 40.047 42.059 -0.024 0.000 3.418 1095 L HN 0.940 nan 8.230 nan 0.000 0.773 1096 T N 0.473 115.035 114.554 0.014 0.000 2.653 1096 T HA -0.350 4.000 4.350 -0.000 0.000 0.267 1096 T C 1.703 176.394 174.700 -0.016 0.000 1.037 1096 T CA 2.432 64.528 62.100 -0.006 0.000 1.159 1096 T CB -0.368 68.504 68.868 0.007 0.000 0.859 1096 T HN 0.500 nan 8.240 nan 0.000 0.449 1097 R N 0.965 121.473 120.500 0.013 0.000 2.103 1097 R HA -0.153 4.186 4.340 -0.000 0.000 0.234 1097 R C 2.470 178.774 176.300 0.006 0.000 1.132 1097 R CA 1.877 57.981 56.100 0.007 0.000 0.925 1097 R CB -0.201 30.121 30.300 0.036 0.000 0.842 1097 R HN 0.357 nan 8.270 nan 0.000 0.430 1098 K N 0.056 120.478 120.400 0.036 0.000 2.032 1098 K HA -0.230 4.090 4.320 -0.000 0.000 0.218 1098 K C 2.178 178.749 176.600 -0.049 0.000 1.054 1098 K CA 1.984 58.284 56.287 0.021 0.000 0.941 1098 K CB -0.392 32.123 32.500 0.025 0.000 0.720 1098 K HN 0.111 nan 8.250 nan 0.000 0.449 1099 L N 0.601 121.742 121.223 -0.138 0.000 2.042 1099 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 1099 L C 2.251 179.083 176.870 -0.063 0.000 1.076 1099 L CA 1.334 56.063 54.840 -0.186 0.000 0.749 1099 L CB -0.591 41.306 42.059 -0.270 0.000 0.893 1099 L HN -0.009 nan 8.230 nan 0.000 0.432 1100 V N -0.741 119.151 119.914 -0.038 0.000 2.867 1100 V HA -0.248 3.872 4.120 -0.000 0.000 0.260 1100 V C 1.890 178.006 176.094 0.037 0.000 1.099 1100 V CA 1.493 63.786 62.300 -0.012 0.000 1.122 1100 V CB -0.685 31.103 31.823 -0.059 0.000 0.708 1100 V HN 0.442 nan 8.190 nan 0.000 0.490 1101 D N -0.042 120.389 120.400 0.050 0.000 2.240 1101 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 1101 D C 2.119 178.531 176.300 0.186 0.000 0.963 1101 D CA 1.026 55.106 54.000 0.134 0.000 0.863 1101 D CB 0.336 41.212 40.800 0.127 0.000 0.973 1101 D HN 0.415 nan 8.370 nan 0.000 0.501 1102 V N 1.292 121.263 119.914 0.095 0.000 2.331 1102 V HA 0.049 4.168 4.120 -0.000 0.000 0.242 1102 V C 1.841 177.966 176.094 0.052 0.000 1.034 1102 V CA 1.177 63.518 62.300 0.068 0.000 1.027 1102 V CB -0.821 31.013 31.823 0.018 0.000 0.667 1102 V HN 0.096 nan 8.190 nan 0.000 0.457 1103 A N 0.142 122.988 122.820 0.043 0.000 2.933 1103 A HA 0.332 4.651 4.320 -0.000 0.000 0.186 1103 A C 0.800 178.408 177.584 0.041 0.000 2.018 1103 A CA 0.932 52.988 52.037 0.032 0.000 0.978 1103 A CB -0.710 18.311 19.000 0.036 0.000 1.847 1103 A HN 1.204 nan 8.150 nan 0.000 0.825 1104 H N -2.286 116.767 119.070 -0.028 0.000 1.848 1104 H HA -0.299 4.257 4.556 -0.000 0.000 0.165 1104 H C 0.534 175.833 175.328 -0.048 0.000 1.506 1104 H CA 2.316 58.339 56.048 -0.041 0.000 1.728 1104 H CB -0.909 28.826 29.762 -0.045 0.000 2.014 1104 H HN 1.606 nan 8.280 nan 0.000 0.908 1105 E N -1.714 118.202 120.200 -0.474 0.000 4.205 1105 E HA -0.296 4.054 4.350 -0.000 0.000 0.310 1105 E C -0.421 176.048 176.600 -0.217 0.000 0.654 1105 E CA 1.425 57.526 56.400 -0.499 0.000 1.279 1105 E CB -0.989 28.202 29.700 -0.850 0.000 1.720 1105 E HN 0.552 nan 8.360 nan 0.000 0.403 1106 I N 1.961 122.436 120.570 -0.159 0.000 2.529 1106 I HA 0.262 4.432 4.170 -0.000 0.000 0.284 1106 I C 0.237 176.313 176.117 -0.069 0.000 1.082 1106 I CA -0.157 61.093 61.300 -0.083 0.000 1.406 1106 I CB 1.320 39.281 38.000 -0.066 0.000 1.405 1106 I HN 0.045 nan 8.210 nan 0.000 0.548 1107 V N 6.448 126.328 119.914 -0.056 0.000 2.969 1107 V HA 0.118 4.238 4.120 -0.000 0.000 0.304 1107 V C 0.039 176.096 176.094 -0.061 0.000 1.192 1107 V CA -0.714 61.549 62.300 -0.062 0.000 0.962 1107 V CB 2.385 34.190 31.823 -0.030 0.000 1.045 1107 V HN 0.379 nan 8.190 nan 0.000 0.428 1108 V N 4.244 124.109 119.914 -0.082 0.000 1.909 1108 V HA 0.091 4.211 4.120 -0.000 0.000 0.253 1108 V C 0.448 176.492 176.094 -0.082 0.000 1.734 1108 V CA -0.014 62.248 62.300 -0.063 0.000 1.661 1108 V CB -1.485 30.311 31.823 -0.046 0.000 1.552 1108 V HN 0.839 nan 8.190 nan 0.000 0.506 1109 R N 2.449 122.909 120.500 -0.067 0.000 2.288 1109 R HA 0.733 5.072 4.340 -0.000 0.000 0.326 1109 R C 0.111 176.362 176.300 -0.081 0.000 0.959 1109 R CA -0.523 55.522 56.100 -0.093 0.000 0.834 1109 R CB 0.976 31.265 30.300 -0.018 0.000 1.157 1109 R HN 0.716 nan 8.270 nan 0.000 0.470 1110 E N 1.226 121.326 120.200 -0.166 0.000 5.963 1110 E HA 0.090 4.440 4.350 -0.000 0.000 0.546 1110 E C -1.587 174.955 176.600 -0.097 0.000 1.224 1110 E CA -0.333 56.010 56.400 -0.095 0.000 3.017 1110 E CB -1.476 28.216 29.700 -0.012 0.000 0.849 1110 E HN 1.078 nan 8.360 nan 0.000 0.280 1111 A N -0.040 122.762 122.820 -0.029 0.000 2.549 1111 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 1111 A C -0.275 177.314 177.584 0.008 0.000 1.034 1111 A CA 0.947 52.978 52.037 -0.009 0.000 0.655 1111 A CB 0.302 19.299 19.000 -0.006 0.000 1.299 1111 A HN 1.840 nan 8.150 nan 0.000 0.427 1112 D N -0.179 120.228 120.400 0.012 0.000 3.091 1112 D HA 0.092 4.732 4.640 -0.000 0.000 0.201 1112 D C 1.148 177.450 176.300 0.005 0.000 1.248 1112 D CA 1.709 55.711 54.000 0.004 0.000 0.609 1112 D CB -1.952 38.848 40.800 0.001 0.000 0.970 1112 D HN 2.205 nan 8.370 nan 0.000 0.396 1113 C N -0.756 118.547 119.300 0.005 0.000 2.950 1113 C HA 0.642 5.102 4.460 -0.000 0.000 0.268 1113 C C 2.040 177.031 174.990 0.002 0.000 1.447 1113 C CA -0.234 58.787 59.018 0.006 0.000 1.952 1113 C CB 0.062 27.805 27.740 0.004 0.000 2.092 1113 C HN 1.363 nan 8.230 nan 0.000 0.673 1114 G N 1.042 109.844 108.800 0.003 0.000 2.363 1114 G HA2 0.458 4.418 3.960 -0.000 0.000 0.285 1114 G HA3 0.458 4.418 3.960 -0.000 0.000 0.285 1114 G C 0.595 175.495 174.900 0.000 0.000 1.084 1114 G CA 0.647 45.748 45.100 0.002 0.000 1.216 1114 G HN 1.366 nan 8.290 nan 0.000 0.429 1115 T N 1.767 116.319 114.554 -0.003 0.000 2.700 1115 T HA 0.337 4.687 4.350 -0.000 0.000 0.226 1115 T C 2.132 176.831 174.700 -0.002 0.000 1.209 1115 T CA 3.010 65.106 62.100 -0.006 0.000 1.755 1115 T CB -1.273 67.586 68.868 -0.015 0.000 1.080 1115 T HN 1.938 nan 8.240 nan 0.000 0.380 1116 T N -0.577 113.975 114.554 -0.003 0.000 3.897 1116 T HA 0.382 4.731 4.350 -0.000 0.000 0.353 1116 T C 0.458 175.161 174.700 0.004 0.000 0.758 1116 T CA 2.432 64.532 62.100 0.001 0.000 1.883 1116 T CB -2.749 66.121 68.868 0.003 0.000 1.849 1116 T HN 2.061 nan 8.240 nan 0.000 0.791 1117 K N -2.256 118.146 120.400 0.003 0.000 2.594 1117 K HA 0.886 5.206 4.320 -0.000 0.000 0.262 1117 K C -0.735 175.868 176.600 0.005 0.000 0.954 1117 K CA 0.264 56.556 56.287 0.008 0.000 0.917 1117 K CB -0.358 32.150 32.500 0.013 0.000 1.343 1117 K HN 2.091 nan 8.250 nan 0.000 0.428 1118 Y N 0.240 120.545 120.300 0.007 0.000 2.889 1118 Y HA 0.895 5.444 4.550 -0.000 0.000 0.317 1118 Y C -1.131 174.777 175.900 0.014 0.000 1.414 1118 Y CA -1.304 56.799 58.100 0.006 0.000 1.091 1118 Y CB 0.721 39.180 38.460 -0.002 0.000 1.358 1118 Y HN 0.788 nan 8.280 nan 0.000 0.487 1119 I N 0.269 120.848 120.570 0.014 0.000 2.892 1119 I HA 0.658 4.828 4.170 -0.000 0.000 0.306 1119 I C -0.238 175.892 176.117 0.022 0.000 1.078 1119 I CA -1.533 59.781 61.300 0.024 0.000 1.032 1119 I CB 2.478 40.497 38.000 0.032 0.000 1.229 1119 I HN 0.525 nan 8.210 nan 0.000 0.435 1120 S N 2.493 118.210 115.700 0.030 0.000 2.577 1120 S HA 0.410 4.879 4.470 -0.000 0.000 0.294 1120 S C -0.529 174.097 174.600 0.043 0.000 1.161 1120 S CA -0.610 57.609 58.200 0.031 0.000 1.143 1120 S CB 0.782 64.000 63.200 0.029 0.000 0.991 1120 S HN 0.287 nan 8.310 nan 0.000 0.475 1121 V N 6.502 126.442 119.914 0.044 0.000 2.421 1121 V HA 0.174 4.294 4.120 -0.000 0.000 0.271 1121 V C -1.651 174.484 176.094 0.068 0.000 1.031 1121 V CA -1.563 60.771 62.300 0.057 0.000 1.032 1121 V CB -0.300 31.549 31.823 0.045 0.000 1.009 1121 V HN 0.580 nan 8.190 nan 0.000 0.477 1122 P HA 0.087 nan 4.420 nan 0.000 0.269 1122 P C -0.154 177.216 177.300 0.116 0.000 1.209 1122 P CA -0.163 63.008 63.100 0.118 0.000 0.776 1122 P CB 1.430 33.197 31.700 0.111 0.000 0.876 1123 L N 1.990 123.325 121.223 0.187 0.000 2.766 1123 L HA 0.387 4.726 4.340 -0.000 0.000 0.242 1123 L C 0.159 176.910 176.870 -0.197 0.000 1.136 1123 L CA 0.459 55.289 54.840 -0.016 0.000 0.933 1123 L CB -0.500 41.499 42.059 -0.101 0.000 1.241 1123 L HN 0.321 nan 8.230 nan 0.000 0.522 1124 F N -1.218 118.731 119.950 -0.001 0.000 2.581 1124 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 1124 F C 0.058 175.860 175.800 0.003 0.000 1.113 1124 F CA -0.814 57.185 58.000 -0.002 0.000 0.935 1124 F CB 1.658 40.655 39.000 -0.006 0.000 1.232 1124 F HN -0.237 nan 8.300 nan 0.000 0.445 1125 Q N 2.284 122.194 119.800 0.183 0.000 2.544 1125 Q HA 0.562 4.901 4.340 -0.000 0.000 0.291 1125 Q C -0.905 175.149 176.000 0.089 0.000 1.068 1125 Q CA -1.159 54.711 55.803 0.111 0.000 0.785 1125 Q CB 4.004 32.786 28.738 0.073 0.000 1.481 1125 Q HN 0.738 nan 8.270 nan 0.000 0.430 1126 M N 0.479 120.116 119.600 0.062 0.000 2.474 1126 M HA 0.271 4.751 4.480 -0.000 0.000 0.238 1126 M C -0.957 175.366 176.300 0.038 0.000 1.111 1126 M CA -0.068 55.261 55.300 0.048 0.000 1.025 1126 M CB 1.082 33.704 32.600 0.036 0.000 1.348 1126 M HN 0.548 nan 8.290 nan 0.000 0.579 1127 D N 0.146 120.565 120.400 0.031 0.000 2.358 1127 D HA 0.148 4.788 4.640 -0.000 0.000 0.253 1127 D C -0.012 176.301 176.300 0.021 0.000 1.288 1127 D CA 0.023 54.038 54.000 0.025 0.000 0.950 1127 D CB 0.796 41.610 40.800 0.023 0.000 1.197 1127 D HN 0.678 nan 8.370 nan 0.000 0.550 1128 E N 0.833 121.046 120.200 0.021 0.000 2.172 1128 E HA -0.254 4.096 4.350 -0.000 0.000 0.213 1128 E C 1.936 178.545 176.600 0.015 0.000 1.051 1128 E CA 1.745 58.155 56.400 0.017 0.000 0.860 1128 E CB 0.147 29.857 29.700 0.016 0.000 0.755 1128 E HN 0.367 nan 8.360 nan 0.000 0.462 1129 V N 0.741 120.664 119.914 0.015 0.000 2.235 1129 V HA -0.243 3.877 4.120 -0.000 0.000 0.244 1129 V C 1.446 177.548 176.094 0.014 0.000 1.036 1129 V CA 2.232 64.540 62.300 0.014 0.000 1.001 1129 V CB -0.618 31.213 31.823 0.013 0.000 0.643 1129 V HN 0.280 nan 8.190 nan 0.000 0.463 1130 T N 1.224 115.787 114.554 0.014 0.000 3.400 1130 T HA 0.394 4.744 4.350 -0.000 0.000 0.362 1130 T C -0.150 174.559 174.700 0.015 0.000 1.823 1130 T CA -0.575 61.533 62.100 0.014 0.000 1.374 1130 T CB -0.200 68.676 68.868 0.013 0.000 1.130 1130 T HN 0.326 nan 8.240 nan 0.000 0.744 1131 R N 1.972 122.481 120.500 0.015 0.000 3.958 1131 R HA 0.060 4.400 4.340 -0.000 0.000 0.186 1131 R C 0.175 176.484 176.300 0.015 0.000 0.520 1131 R CA 0.659 56.768 56.100 0.015 0.000 0.917 1131 R CB -1.163 29.144 30.300 0.012 0.000 1.014 1131 R HN 0.423 nan 8.270 nan 0.000 0.296 1132 T N 2.363 116.929 114.554 0.020 0.000 2.977 1132 T HA 0.350 4.700 4.350 -0.000 0.000 0.345 1132 T C -0.689 174.033 174.700 0.038 0.000 1.562 1132 T CA -0.922 61.193 62.100 0.024 0.000 1.090 1132 T CB 1.311 70.193 68.868 0.023 0.000 1.383 1132 T HN 0.263 nan 8.240 nan 0.000 0.484 1133 L N 2.028 123.280 121.223 0.048 0.000 2.334 1133 L HA 0.876 5.216 4.340 -0.000 0.000 0.275 1133 L C 0.035 176.979 176.870 0.124 0.000 1.036 1133 L CA -0.898 53.996 54.840 0.090 0.000 0.807 1133 L CB 1.508 43.614 42.059 0.080 0.000 1.231 1133 L HN 0.510 nan 8.230 nan 0.000 0.438 1134 R N 2.228 122.820 120.500 0.153 0.000 2.808 1134 R HA 0.578 4.918 4.340 -0.000 0.000 0.272 1134 R C -1.506 174.839 176.300 0.076 0.000 0.995 1134 R CA -0.725 55.438 56.100 0.105 0.000 0.917 1134 R CB 1.391 31.717 30.300 0.043 0.000 1.217 1134 R HN 0.568 nan 8.270 nan 0.000 0.471 1135 L N 1.634 122.807 121.223 -0.083 0.000 2.313 1135 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 1135 L C -0.049 176.690 176.870 -0.218 0.000 1.092 1135 L CA -0.823 53.788 54.840 -0.382 0.000 0.831 1135 L CB 0.860 42.648 42.059 -0.452 0.000 1.159 1135 L HN 0.452 nan 8.230 nan 0.000 0.442 1136 R N 2.553 122.934 120.500 -0.197 0.000 2.705 1136 R HA -0.023 4.317 4.340 -0.000 0.000 0.264 1136 R C 0.018 176.260 176.300 -0.096 0.000 0.988 1136 R CA 0.104 56.146 56.100 -0.097 0.000 1.103 1136 R CB 0.139 30.400 30.300 -0.066 0.000 0.950 1136 R HN 0.713 nan 8.270 nan 0.000 0.427 1137 K N 1.755 122.122 120.400 -0.055 0.000 2.448 1137 K HA -0.002 4.318 4.320 -0.000 0.000 0.278 1137 K C -0.330 176.235 176.600 -0.058 0.000 1.009 1137 K CA -0.245 56.011 56.287 -0.052 0.000 0.995 1137 K CB 0.401 32.884 32.500 -0.028 0.000 0.917 1137 K HN 0.343 nan 8.250 nan 0.000 0.481 1138 R N 1.752 122.207 120.500 -0.075 0.000 4.885 1138 R HA -0.101 4.238 4.340 -0.000 0.000 0.170 1138 R C 0.587 176.853 176.300 -0.055 0.000 2.294 1138 R CA 0.658 56.706 56.100 -0.087 0.000 1.799 1138 R CB -1.033 29.199 30.300 -0.113 0.000 1.269 1138 R HN 0.867 nan 8.270 nan 0.000 0.786 1139 S N -1.187 114.498 115.700 -0.025 0.000 4.257 1139 S HA -0.038 4.431 4.470 -0.000 0.000 0.208 1139 S C 0.728 175.347 174.600 0.032 0.000 1.152 1139 S CA -0.057 58.147 58.200 0.007 0.000 1.110 1139 S CB 0.053 63.261 63.200 0.012 0.000 1.434 1139 S HN 0.271 nan 8.310 nan 0.000 0.509 1140 D N 2.334 122.758 120.400 0.039 0.000 2.158 1140 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 1140 D C 1.895 178.233 176.300 0.063 0.000 0.995 1140 D CA 1.568 55.616 54.000 0.080 0.000 0.846 1140 D CB -0.391 40.458 40.800 0.081 0.000 0.941 1140 D HN 0.515 nan 8.370 nan 0.000 0.456 1141 I N 1.101 121.686 120.570 0.025 0.000 2.179 1141 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 1141 I C 2.653 178.778 176.117 0.014 0.000 1.088 1141 I CA 1.138 62.444 61.300 0.011 0.000 1.357 1141 I CB -0.302 37.685 38.000 -0.021 0.000 1.051 1141 I HN 0.006 nan 8.210 nan 0.000 0.409 1142 E N 0.587 120.803 120.200 0.027 0.000 2.085 1142 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 1142 E C 1.876 178.514 176.600 0.064 0.000 0.994 1142 E CA 1.501 57.933 56.400 0.053 0.000 0.801 1142 E CB -0.036 29.698 29.700 0.057 0.000 0.743 1142 E HN 0.236 nan 8.360 nan 0.000 0.453 1143 S N -1.358 114.362 115.700 0.034 0.000 2.803 1143 S HA 0.139 4.609 4.470 -0.000 0.000 0.228 1143 S C 0.715 175.165 174.600 -0.250 0.000 0.953 1143 S CA 0.445 58.630 58.200 -0.025 0.000 0.983 1143 S CB 0.141 63.374 63.200 0.056 0.000 0.784 1143 S HN 0.429 nan 8.310 nan 0.000 0.498 1144 G N -0.060 108.644 108.800 -0.160 0.000 2.633 1144 G HA2 0.202 4.162 3.960 -0.000 0.000 0.198 1144 G HA3 0.202 4.162 3.960 -0.000 0.000 0.198 1144 G C 0.978 175.804 174.900 -0.122 0.000 1.198 1144 G CA -0.027 44.943 45.100 -0.217 0.000 0.685 1144 G HN 0.445 nan 8.290 nan 0.000 0.868 1145 L N -0.279 120.918 121.223 -0.044 0.000 2.316 1145 L HA 0.304 4.643 4.340 -0.000 0.000 0.207 1145 L C 1.174 178.053 176.870 0.015 0.000 1.070 1145 L CA -0.236 54.593 54.840 -0.017 0.000 0.820 1145 L CB -0.381 41.684 42.059 0.010 0.000 0.992 1145 L HN 0.229 nan 8.230 nan 0.000 0.466 1146 Y N 1.949 122.176 120.300 -0.122 0.000 2.881 1146 Y HA 0.013 4.562 4.550 -0.000 0.000 0.335 1146 Y C 1.377 177.155 175.900 -0.204 0.000 1.263 1146 Y CA 0.526 58.542 58.100 -0.139 0.000 1.572 1146 Y CB 0.452 38.869 38.460 -0.072 0.000 1.237 1146 Y HN 0.382 nan 8.280 nan 0.000 0.568 1147 G N 4.669 113.303 108.800 -0.276 0.000 2.179 1147 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.260 1147 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.260 1147 G C 0.326 175.011 174.900 -0.358 0.000 0.977 1147 G CA -0.040 44.630 45.100 -0.716 0.000 0.641 1147 G HN 0.583 nan 8.290 nan 0.000 0.533 1148 R N -0.438 119.929 120.500 -0.222 0.000 2.649 1148 R HA 0.578 4.918 4.340 -0.000 0.000 0.270 1148 R C -0.133 176.094 176.300 -0.122 0.000 1.105 1148 R CA -0.460 55.558 56.100 -0.136 0.000 1.193 1148 R CB 1.014 31.250 30.300 -0.106 0.000 1.120 1148 R HN 0.227 nan 8.270 nan 0.000 0.561 1149 V N 3.401 123.218 119.914 -0.161 0.000 2.376 1149 V HA 0.224 4.344 4.120 -0.000 0.000 0.287 1149 V C 0.396 176.389 176.094 -0.169 0.000 1.015 1149 V CA -0.556 61.573 62.300 -0.284 0.000 0.834 1149 V CB 1.453 32.994 31.823 -0.469 0.000 1.001 1149 V HN 0.508 nan 8.190 nan 0.000 0.428 1150 L N 4.017 125.163 121.223 -0.127 0.000 2.503 1150 L HA 0.223 4.563 4.340 -0.000 0.000 0.287 1150 L C 1.012 177.840 176.870 -0.070 0.000 1.252 1150 L CA 0.754 55.551 54.840 -0.071 0.000 0.835 1150 L CB 0.530 42.565 42.059 -0.040 0.000 1.099 1150 L HN 0.753 nan 8.230 nan 0.000 0.516 1151 A N 2.484 125.279 122.820 -0.041 0.000 2.543 1151 A HA 0.418 4.737 4.320 -0.000 0.000 0.279 1151 A C -0.098 177.476 177.584 -0.017 0.000 0.917 1151 A CA -0.268 51.748 52.037 -0.034 0.000 1.036 1151 A CB 0.224 19.205 19.000 -0.031 0.000 1.227 1151 A HN 0.525 nan 8.150 nan 0.000 0.503 1152 R N 1.388 121.881 120.500 -0.012 0.000 3.270 1152 R HA 0.068 4.407 4.340 -0.000 0.000 0.299 1152 R C -0.961 175.342 176.300 0.005 0.000 1.188 1152 R CA -0.034 56.065 56.100 -0.002 0.000 1.090 1152 R CB 0.368 30.670 30.300 0.002 0.000 1.329 1152 R HN 0.881 nan 8.270 nan 0.000 0.381 1153 E N 1.456 121.660 120.200 0.007 0.000 2.696 1153 E HA 0.026 4.376 4.350 -0.000 0.000 0.270 1153 E C -0.683 175.935 176.600 0.029 0.000 0.958 1153 E CA 0.109 56.519 56.400 0.017 0.000 0.964 1153 E CB 0.678 30.388 29.700 0.016 0.000 0.948 1153 E HN 0.056 nan 8.360 nan 0.000 0.472 1154 V N 3.202 123.145 119.914 0.048 0.000 2.540 1154 V HA 0.319 4.439 4.120 -0.000 0.000 0.302 1154 V C -0.533 175.622 176.094 0.102 0.000 1.035 1154 V CA -0.481 61.859 62.300 0.067 0.000 0.873 1154 V CB 1.495 33.363 31.823 0.075 0.000 0.992 1154 V HN 0.869 nan 8.190 nan 0.000 0.428 1155 E N 4.675 124.933 120.200 0.096 0.000 2.321 1155 E HA 0.914 5.264 4.350 -0.000 0.000 0.278 1155 E C -0.824 175.843 176.600 0.112 0.000 0.902 1155 E CA -0.790 55.686 56.400 0.127 0.000 0.758 1155 E CB 2.678 32.430 29.700 0.086 0.000 1.213 1155 E HN 0.964 nan 8.360 nan 0.000 0.426 1156 A N 1.809 124.727 122.820 0.163 0.000 2.343 1156 A HA 0.404 4.724 4.320 -0.000 0.000 0.296 1156 A C 0.028 177.702 177.584 0.150 0.000 1.020 1156 A CA -0.403 51.693 52.037 0.098 0.000 0.579 1156 A CB -0.066 18.945 19.000 0.019 0.000 1.441 1156 A HN 1.230 nan 8.150 nan 0.000 0.552 1157 L N -1.149 120.109 121.223 0.059 0.000 4.436 1157 L HA -0.315 4.025 4.340 -0.000 0.000 0.436 1157 L C 1.194 178.187 176.870 0.205 0.000 1.128 1157 L CA 2.274 57.157 54.840 0.073 0.000 0.973 1157 L CB -0.674 41.334 42.059 -0.085 0.000 1.899 1157 L HN 2.825 nan 8.230 nan 0.000 1.002 1158 G N -2.101 106.817 108.800 0.197 0.000 3.330 1158 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.197 1158 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.197 1158 G C 0.031 175.009 174.900 0.131 0.000 1.284 1158 G CA -0.087 45.107 45.100 0.157 0.000 0.921 1158 G HN 0.189 nan 8.290 nan 0.000 0.466 1159 R N 0.645 121.251 120.500 0.178 0.000 2.700 1159 R HA 0.819 5.159 4.340 -0.000 0.000 0.253 1159 R C -0.114 176.241 176.300 0.092 0.000 1.091 1159 R CA -0.654 55.467 56.100 0.035 0.000 1.104 1159 R CB 0.498 30.666 30.300 -0.219 0.000 1.202 1159 R HN 0.402 nan 8.270 nan 0.000 0.532 1160 R N 0.732 121.247 120.500 0.025 0.000 2.534 1160 R HA 0.470 4.810 4.340 -0.000 0.000 0.301 1160 R C -0.603 175.708 176.300 0.018 0.000 0.961 1160 R CA -0.690 55.437 56.100 0.046 0.000 0.871 1160 R CB 1.430 31.747 30.300 0.029 0.000 1.170 1160 R HN 0.330 nan 8.270 nan 0.000 0.446 1161 L N 3.858 125.109 121.223 0.047 0.000 2.297 1161 L HA 0.238 4.578 4.340 -0.000 0.000 0.277 1161 L C 0.571 177.454 176.870 0.022 0.000 1.040 1161 L CA -0.708 54.149 54.840 0.028 0.000 0.867 1161 L CB 0.793 42.891 42.059 0.065 0.000 1.244 1161 L HN 0.614 nan 8.230 nan 0.000 0.433 1162 E N 2.132 122.338 120.200 0.009 0.000 2.812 1162 E HA -0.136 4.213 4.350 -0.000 0.000 0.276 1162 E C -0.135 176.465 176.600 -0.001 0.000 0.946 1162 E CA -0.120 56.283 56.400 0.005 0.000 0.971 1162 E CB 0.838 30.541 29.700 0.004 0.000 0.960 1162 E HN 0.436 nan 8.360 nan 0.000 0.479 1163 E N 2.361 122.559 120.200 -0.004 0.000 2.415 1163 E HA 0.055 4.405 4.350 -0.000 0.000 0.263 1163 E C 0.498 177.078 176.600 -0.034 0.000 0.995 1163 E CA 1.161 57.552 56.400 -0.015 0.000 0.915 1163 E CB 0.469 30.163 29.700 -0.011 0.000 0.951 1163 E HN 0.851 nan 8.360 nan 0.000 0.449 1164 G N 4.434 113.199 108.800 -0.059 0.000 2.303 1164 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 1164 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 1164 G C 0.047 174.862 174.900 -0.142 0.000 1.106 1164 G CA 0.519 45.555 45.100 -0.106 0.000 0.900 1164 G HN 0.581 nan 8.290 nan 0.000 0.495 1165 R N -0.607 119.818 120.500 -0.125 0.000 2.711 1165 R HA 0.644 4.983 4.340 -0.000 0.000 0.284 1165 R C -0.662 175.571 176.300 -0.113 0.000 0.968 1165 R CA -1.014 55.034 56.100 -0.087 0.000 0.924 1165 R CB 1.036 31.334 30.300 -0.003 0.000 1.162 1165 R HN 0.130 nan 8.270 nan 0.000 0.465 1166 Y N 4.650 124.946 120.300 -0.007 0.000 2.404 1166 Y HA 0.178 4.728 4.550 -0.000 0.000 0.344 1166 Y C 0.292 176.127 175.900 -0.108 0.000 0.995 1166 Y CA -0.681 57.369 58.100 -0.084 0.000 1.201 1166 Y CB 1.018 39.486 38.460 0.013 0.000 1.151 1166 Y HN 0.290 nan 8.280 nan 0.000 0.517 1167 L N 1.135 122.349 121.223 -0.015 0.000 2.261 1167 L HA 0.602 4.942 4.340 -0.000 0.000 0.289 1167 L C -0.119 176.729 176.870 -0.038 0.000 1.059 1167 L CA -0.469 54.369 54.840 -0.003 0.000 0.816 1167 L CB 0.791 42.859 42.059 0.016 0.000 1.191 1167 L HN 0.441 nan 8.230 nan 0.000 0.431 1168 S N 2.357 118.073 115.700 0.027 0.000 2.606 1168 S HA 0.083 4.553 4.470 -0.000 0.000 0.257 1168 S C 1.110 175.631 174.600 -0.132 0.000 1.327 1168 S CA -0.532 57.718 58.200 0.083 0.000 0.984 1168 S CB 1.071 64.380 63.200 0.181 0.000 0.941 1168 S HN 0.764 nan 8.310 nan 0.000 0.576 1169 L N 1.387 122.379 121.223 -0.385 0.000 2.129 1169 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 1169 L C 2.253 178.733 176.870 -0.651 0.000 1.087 1169 L CA 1.989 56.417 54.840 -0.686 0.000 0.757 1169 L CB -0.662 40.889 42.059 -0.846 0.000 0.896 1169 L HN 0.817 nan 8.230 nan 0.000 0.434 1170 E N -0.187 119.790 120.200 -0.372 0.000 2.023 1170 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 1170 E C 1.773 178.306 176.600 -0.111 0.000 1.003 1170 E CA 2.056 58.306 56.400 -0.250 0.000 0.809 1170 E CB -0.311 29.338 29.700 -0.084 0.000 0.755 1170 E HN 0.542 nan 8.360 nan 0.000 0.449 1171 D N -0.166 120.210 120.400 -0.040 0.000 2.116 1171 D HA -0.154 4.485 4.640 -0.000 0.000 0.193 1171 D C 1.978 178.346 176.300 0.112 0.000 0.998 1171 D CA 1.691 55.735 54.000 0.074 0.000 0.836 1171 D CB -0.421 40.411 40.800 0.053 0.000 0.951 1171 D HN 0.175 nan 8.370 nan 0.000 0.449 1172 V N 0.438 120.356 119.914 0.006 0.000 2.982 1172 V HA -0.225 3.894 4.120 -0.000 0.000 0.265 1172 V C 1.796 177.985 176.094 0.158 0.000 1.122 1172 V CA 1.529 63.857 62.300 0.045 0.000 1.143 1172 V CB -0.788 31.032 31.823 -0.005 0.000 0.726 1172 V HN 0.404 nan 8.190 nan 0.000 0.507 1173 H N -1.648 117.425 119.070 0.005 0.000 2.344 1173 H HA -0.027 4.529 4.556 -0.000 0.000 0.307 1173 H C 2.152 177.503 175.328 0.038 0.000 1.057 1173 H CA 1.138 57.184 56.048 -0.004 0.000 1.373 1173 H CB -0.022 29.734 29.762 -0.011 0.000 1.421 1173 H HN 0.417 nan 8.280 nan 0.000 0.532 1174 F N 2.203 122.213 119.950 0.099 0.000 2.045 1174 F HA -0.303 4.223 4.527 -0.000 0.000 0.297 1174 F C 2.153 177.972 175.800 0.031 0.000 1.114 1174 F CA 1.444 59.472 58.000 0.046 0.000 1.207 1174 F CB -0.812 38.205 39.000 0.028 0.000 0.964 1174 F HN 0.016 nan 8.300 nan 0.000 0.486 1175 L N -0.188 120.993 121.223 -0.069 0.000 2.081 1175 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 1175 L C 2.580 179.341 176.870 -0.182 0.000 1.080 1175 L CA 0.974 55.703 54.840 -0.185 0.000 0.754 1175 L CB -0.685 41.373 42.059 -0.002 0.000 0.893 1175 L HN 0.274 nan 8.230 nan 0.000 0.433 1176 I N 0.171 120.680 120.570 -0.101 0.000 2.099 1176 I HA -0.331 3.839 4.170 -0.000 0.000 0.239 1176 I C 2.456 178.476 176.117 -0.162 0.000 1.066 1176 I CA 1.776 63.003 61.300 -0.120 0.000 1.324 1176 I CB -0.815 37.127 38.000 -0.097 0.000 1.037 1176 I HN 0.305 nan 8.210 nan 0.000 0.401 1177 K N 0.472 120.775 120.400 -0.163 0.000 2.211 1177 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 1177 K C 2.156 178.640 176.600 -0.193 0.000 1.050 1177 K CA 1.165 57.360 56.287 -0.154 0.000 0.945 1177 K CB -0.087 32.352 32.500 -0.103 0.000 0.732 1177 K HN 0.312 nan 8.250 nan 0.000 0.451 1178 A N 1.722 124.346 122.820 -0.326 0.000 1.858 1178 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1178 A C 2.410 179.917 177.584 -0.128 0.000 1.190 1178 A CA 1.864 53.721 52.037 -0.301 0.000 0.617 1178 A CB -0.828 17.901 19.000 -0.453 0.000 0.827 1178 A HN 0.312 nan 8.150 nan 0.000 0.443 1179 A N -0.487 122.272 122.820 -0.101 0.000 2.042 1179 A HA -0.235 4.084 4.320 -0.000 0.000 0.222 1179 A C 1.906 179.516 177.584 0.045 0.000 1.167 1179 A CA 1.930 53.981 52.037 0.022 0.000 0.649 1179 A CB -0.500 18.459 19.000 -0.067 0.000 0.809 1179 A HN 0.695 nan 8.150 nan 0.000 0.457 1180 E N -0.930 119.240 120.200 -0.050 0.000 2.190 1180 E HA 0.130 4.480 4.350 -0.000 0.000 0.191 1180 E C 1.907 178.505 176.600 -0.003 0.000 0.978 1180 E CA 0.505 56.888 56.400 -0.030 0.000 0.839 1180 E CB -0.113 29.544 29.700 -0.071 0.000 0.787 1180 E HN 0.575 nan 8.360 nan 0.000 0.473 1181 A N 0.868 123.672 122.820 -0.028 0.000 2.255 1181 A HA 0.166 4.485 4.320 -0.000 0.000 0.206 1181 A C 1.434 179.021 177.584 0.004 0.000 1.193 1181 A CA 0.751 52.777 52.037 -0.018 0.000 0.794 1181 A CB -0.754 18.222 19.000 -0.040 0.000 0.794 1181 A HN 0.279 nan 8.150 nan 0.000 0.481 1182 G N -0.500 108.321 108.800 0.034 0.000 2.314 1182 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.292 1182 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.292 1182 G C 0.162 175.077 174.900 0.025 0.000 1.059 1182 G CA 0.629 45.760 45.100 0.051 0.000 0.982 1182 G HN 0.660 nan 8.290 nan 0.000 0.505 1183 E N -1.953 118.258 120.200 0.019 0.000 2.639 1183 E HA 0.336 4.686 4.350 -0.000 0.000 0.225 1183 E C -0.010 176.594 176.600 0.006 0.000 0.921 1183 E CA 0.215 56.616 56.400 0.002 0.000 1.184 1183 E CB 1.557 31.246 29.700 -0.017 0.000 1.160 1183 E HN 0.376 nan 8.360 nan 0.000 0.547 1184 V N 0.771 120.706 119.914 0.035 0.000 2.789 1184 V HA 0.298 4.418 4.120 -0.000 0.000 0.300 1184 V C 0.054 176.245 176.094 0.161 0.000 1.184 1184 V CA -0.672 61.659 62.300 0.052 0.000 0.930 1184 V CB 2.039 33.867 31.823 0.008 0.000 1.041 1184 V HN 0.034 nan 8.190 nan 0.000 0.430 1185 R N 1.198 121.786 120.500 0.147 0.000 2.144 1185 R HA 0.346 4.686 4.340 -0.000 0.000 0.195 1185 R C 0.316 176.745 176.300 0.214 0.000 1.077 1185 R CA 0.016 56.286 56.100 0.282 0.000 1.120 1185 R CB 0.709 30.966 30.300 -0.071 0.000 1.060 1185 R HN 0.737 nan 8.270 nan 0.000 0.520 1186 E N 0.655 120.914 120.200 0.099 0.000 2.292 1186 E HA 0.394 4.744 4.350 -0.000 0.000 0.258 1186 E C -0.994 175.643 176.600 0.060 0.000 1.115 1186 E CA -0.612 55.835 56.400 0.078 0.000 0.929 1186 E CB 2.017 31.743 29.700 0.045 0.000 1.161 1186 E HN -0.190 nan 8.360 nan 0.000 0.453 1187 V N 1.966 121.907 119.914 0.046 0.000 2.610 1187 V HA 0.219 4.338 4.120 -0.000 0.000 0.298 1187 V C -2.498 173.609 176.094 0.022 0.000 1.067 1187 V CA -1.560 60.760 62.300 0.032 0.000 0.894 1187 V CB 1.734 33.574 31.823 0.028 0.000 1.015 1187 V HN 0.589 nan 8.190 nan 0.000 0.432 1188 P HA 0.208 nan 4.420 nan 0.000 0.268 1188 P C -0.666 176.630 177.300 -0.006 0.000 1.541 1188 P CA 0.261 63.365 63.100 0.007 0.000 1.093 1188 P CB 1.695 33.399 31.700 0.007 0.000 1.551 1189 V N 5.478 125.387 119.914 -0.009 0.000 2.735 1189 V HA 0.439 4.559 4.120 -0.000 0.000 0.310 1189 V C -0.101 175.980 176.094 -0.023 0.000 1.061 1189 V CA -1.211 61.073 62.300 -0.027 0.000 0.913 1189 V CB 2.383 34.186 31.823 -0.034 0.000 1.005 1189 V HN 0.341 nan 8.190 nan 0.000 0.428 1190 R N 4.185 124.664 120.500 -0.035 0.000 2.438 1190 R HA 0.586 4.926 4.340 -0.000 0.000 0.287 1190 R C 0.024 176.314 176.300 -0.016 0.000 1.077 1190 R CA 0.050 56.136 56.100 -0.023 0.000 1.034 1190 R CB 1.163 31.443 30.300 -0.033 0.000 0.993 1190 R HN 0.889 nan 8.270 nan 0.000 0.459 1191 S N 1.897 117.601 115.700 0.006 0.000 2.811 1191 S HA 0.458 4.928 4.470 -0.000 0.000 0.311 1191 S C -2.272 172.355 174.600 0.045 0.000 1.152 1191 S CA -1.472 56.739 58.200 0.019 0.000 0.864 1191 S CB 2.297 65.513 63.200 0.026 0.000 1.226 1191 S HN 0.173 nan 8.310 nan 0.000 0.541 1192 P HA 0.083 nan 4.420 nan 0.000 0.216 1192 P C 1.544 178.883 177.300 0.063 0.000 1.153 1192 P CA 0.976 64.126 63.100 0.083 0.000 0.844 1192 P CB -0.178 31.593 31.700 0.118 0.000 0.787 1193 L N -1.496 119.766 121.223 0.066 0.000 2.283 1193 L HA -0.220 4.120 4.340 -0.000 0.000 0.217 1193 L C 2.049 178.946 176.870 0.046 0.000 1.104 1193 L CA 1.805 56.680 54.840 0.058 0.000 0.772 1193 L CB -1.152 40.944 42.059 0.060 0.000 0.899 1193 L HN 0.128 nan 8.230 nan 0.000 0.439 1194 T N -2.396 112.181 114.554 0.039 0.000 3.040 1194 T HA 0.123 4.473 4.350 -0.000 0.000 0.266 1194 T C 0.479 175.193 174.700 0.024 0.000 1.005 1194 T CA -0.346 61.772 62.100 0.030 0.000 0.906 1194 T CB -0.056 68.827 68.868 0.025 0.000 1.082 1194 T HN 0.218 nan 8.240 nan 0.000 0.531 1195 C N 2.420 121.735 119.300 0.025 0.000 2.422 1195 C HA 0.813 5.273 4.460 -0.000 0.000 0.364 1195 C C 0.686 175.680 174.990 0.007 0.000 1.251 1195 C CA -0.310 58.718 59.018 0.017 0.000 2.441 1195 C CB 0.652 28.407 27.740 0.025 0.000 2.393 1195 C HN 0.657 nan 8.230 nan 0.000 0.606 1196 Q N 0.988 120.787 119.800 -0.002 0.000 2.372 1196 Q HA 0.564 4.904 4.340 -0.000 0.000 0.259 1196 Q C -0.146 175.836 176.000 -0.030 0.000 0.993 1196 Q CA 0.050 55.841 55.803 -0.020 0.000 0.854 1196 Q CB 0.739 29.467 28.738 -0.018 0.000 1.231 1196 Q HN 1.120 nan 8.270 nan 0.000 0.462 1197 T N -2.402 112.122 114.554 -0.051 0.000 3.859 1197 T HA 0.183 4.533 4.350 -0.000 0.000 0.151 1197 T C 0.783 175.449 174.700 -0.056 0.000 0.485 1197 T CA 0.108 62.170 62.100 -0.064 0.000 0.886 1197 T CB -1.767 67.088 68.868 -0.022 0.000 1.393 1197 T HN 1.552 nan 8.240 nan 0.000 0.524 1198 R N 0.189 120.616 120.500 -0.122 0.000 2.350 1198 R HA -0.047 4.293 4.340 -0.000 0.000 0.246 1198 R C 0.932 177.351 176.300 0.199 0.000 1.182 1198 R CA 1.707 57.775 56.100 -0.053 0.000 1.030 1198 R CB -1.336 28.866 30.300 -0.162 0.000 0.861 1198 R HN 0.912 nan 8.270 nan 0.000 0.483 1199 Y N -0.664 119.601 120.300 -0.059 0.000 2.781 1199 Y HA 0.458 5.007 4.550 -0.000 0.000 0.326 1199 Y C 0.900 176.764 175.900 -0.060 0.000 1.019 1199 Y CA -0.560 57.499 58.100 -0.069 0.000 1.372 1199 Y CB 0.651 39.074 38.460 -0.061 0.000 1.260 1199 Y HN 0.472 nan 8.280 nan 0.000 0.546 1200 G N -0.421 108.434 108.800 0.093 0.000 2.050 1200 G HA2 0.213 4.172 3.960 -0.000 0.000 0.274 1200 G HA3 0.213 4.172 3.960 -0.000 0.000 0.274 1200 G C -0.634 174.276 174.900 0.017 0.000 1.733 1200 G CA -0.660 44.458 45.100 0.030 0.000 0.905 1200 G HN 0.186 nan 8.290 nan 0.000 0.728 1201 V N 2.167 122.079 119.914 -0.002 0.000 2.506 1201 V HA 0.405 4.525 4.120 -0.000 0.000 0.313 1201 V C 1.880 177.995 176.094 0.034 0.000 1.716 1201 V CA 0.992 63.303 62.300 0.019 0.000 1.690 1201 V CB -1.640 30.184 31.823 0.002 0.000 1.389 1201 V HN 2.355 nan 8.190 nan 0.000 0.483 1202 C N 0.772 120.086 119.300 0.023 0.000 0.168 1202 C HA 0.034 4.494 4.460 -0.000 0.000 0.017 1202 C C 0.800 175.803 174.990 0.022 0.000 0.171 1202 C CA 1.722 60.754 59.018 0.022 0.000 0.499 1202 C CB -0.693 27.067 27.740 0.033 0.000 3.212 1202 C HN 2.460 nan 8.230 nan 0.000 1.118 1203 Q N 0.710 120.523 119.800 0.022 0.000 3.021 1203 Q HA 0.619 4.959 4.340 -0.000 0.000 0.234 1203 Q C -0.095 175.935 176.000 0.050 0.000 0.930 1203 Q CA 0.627 56.440 55.803 0.017 0.000 0.714 1203 Q CB 0.627 29.334 28.738 -0.052 0.000 1.325 1203 Q HN 1.089 nan 8.270 nan 0.000 0.473 1204 K N -0.355 120.110 120.400 0.109 0.000 2.897 1204 K HA -0.067 4.253 4.320 -0.000 0.000 0.249 1204 K C -0.422 176.225 176.600 0.078 0.000 1.218 1204 K CA 0.564 56.935 56.287 0.139 0.000 0.703 1204 K CB -1.868 30.711 32.500 0.132 0.000 1.726 1204 K HN 0.719 nan 8.250 nan 0.000 0.517 1205 C N -1.049 118.309 119.300 0.096 0.000 4.811 1205 C HA 0.038 4.498 4.460 -0.000 0.000 0.521 1205 C C 1.333 176.365 174.990 0.071 0.000 1.226 1205 C CA -0.198 58.850 59.018 0.049 0.000 2.495 1205 C CB -0.144 27.626 27.740 0.049 0.000 3.413 1205 C HN 0.755 nan 8.230 nan 0.000 0.465 1206 Y N 2.827 123.139 120.300 0.020 0.000 2.502 1206 Y HA 0.403 4.953 4.550 -0.000 0.000 0.295 1206 Y C 1.448 177.367 175.900 0.032 0.000 1.193 1206 Y CA 0.358 58.460 58.100 0.003 0.000 1.295 1206 Y CB -0.740 37.723 38.460 0.005 0.000 1.059 1206 Y HN 0.341 nan 8.280 nan 0.000 0.514 1207 G N 0.737 109.569 108.800 0.052 0.000 3.031 1207 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.242 1207 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.242 1207 G C -0.504 174.453 174.900 0.095 0.000 0.566 1207 G CA 0.641 45.849 45.100 0.181 0.000 1.127 1207 G HN 0.650 nan 8.290 nan 0.000 0.280 1208 Y N -0.434 119.834 120.300 -0.053 0.000 2.562 1208 Y HA -0.275 4.274 4.550 -0.000 0.000 0.040 1208 Y C 1.673 177.473 175.900 -0.168 0.000 1.750 1208 Y CA 0.630 58.613 58.100 -0.195 0.000 1.377 1208 Y CB 0.077 38.378 38.460 -0.264 0.000 2.024 1208 Y HN 0.942 nan 8.280 nan 0.000 0.263 1209 D N 3.323 123.672 120.400 -0.085 0.000 2.190 1209 D HA -0.213 4.427 4.640 -0.000 0.000 0.200 1209 D C 1.884 178.179 176.300 -0.008 0.000 0.992 1209 D CA 2.059 56.059 54.000 -0.000 0.000 0.854 1209 D CB 0.124 40.899 40.800 -0.041 0.000 0.936 1209 D HN 0.696 nan 8.370 nan 0.000 0.462 1210 L N -0.648 120.513 121.223 -0.104 0.000 5.044 1210 L HA -0.299 4.040 4.340 -0.000 0.000 0.412 1210 L C 0.947 177.782 176.870 -0.059 0.000 0.971 1210 L CA 1.923 56.694 54.840 -0.116 0.000 1.411 1210 L CB -2.003 39.985 42.059 -0.120 0.000 1.884 1210 L HN 0.217 nan 8.230 nan 0.000 0.631 1211 S N -2.627 113.038 115.700 -0.057 0.000 2.617 1211 S HA 0.357 4.827 4.470 -0.000 0.000 0.278 1211 S C 1.074 175.638 174.600 -0.060 0.000 1.082 1211 S CA 0.139 58.309 58.200 -0.051 0.000 1.228 1211 S CB -0.023 63.193 63.200 0.028 0.000 1.130 1211 S HN 0.378 nan 8.310 nan 0.000 0.621 1212 M N 0.990 120.566 119.600 -0.039 0.000 2.306 1212 M HA 0.522 5.002 4.480 -0.000 0.000 0.292 1212 M C 1.540 177.817 176.300 -0.039 0.000 1.018 1212 M CA 0.588 55.925 55.300 0.062 0.000 1.007 1212 M CB 0.901 33.518 32.600 0.027 0.000 1.510 1212 M HN 0.495 nan 8.290 nan 0.000 0.537 1213 A N 0.661 123.339 122.820 -0.236 0.000 4.320 1213 A HA -0.292 4.027 4.320 -0.000 0.000 0.253 1213 A C 0.970 177.976 177.584 -0.964 0.000 0.699 1213 A CA 2.086 53.829 52.037 -0.489 0.000 1.188 1213 A CB -1.345 17.523 19.000 -0.220 0.000 1.126 1213 A HN 0.554 nan 8.150 nan 0.000 0.699 1214 R N 1.658 121.851 120.500 -0.511 0.000 2.893 1214 R HA 0.412 4.751 4.340 -0.000 0.000 0.279 1214 R C -2.434 173.534 176.300 -0.553 0.000 1.076 1214 R CA -0.400 55.425 56.100 -0.459 0.000 1.203 1214 R CB 0.064 30.233 30.300 -0.219 0.000 1.137 1214 R HN 0.419 nan 8.270 nan 0.000 0.541 1215 P HA 0.061 nan 4.420 nan 0.000 0.282 1215 P C -0.733 176.502 177.300 -0.107 0.000 1.249 1215 P CA -0.389 62.511 63.100 -0.334 0.000 0.806 1215 P CB 0.919 32.295 31.700 -0.540 0.000 0.984 1216 V N 1.712 121.636 119.914 0.016 0.000 2.795 1216 V HA -0.142 3.978 4.120 -0.000 0.000 0.298 1216 V C 1.460 177.586 176.094 0.053 0.000 1.107 1216 V CA 0.928 63.286 62.300 0.097 0.000 1.270 1216 V CB -1.016 30.954 31.823 0.245 0.000 0.831 1216 V HN 0.700 nan 8.190 nan 0.000 0.473 1217 S N 5.976 121.695 115.700 0.032 0.000 2.592 1217 S HA 0.354 4.824 4.470 -0.000 0.000 0.271 1217 S C 0.067 174.658 174.600 -0.016 0.000 1.326 1217 S CA -0.889 57.316 58.200 0.008 0.000 1.024 1217 S CB 0.383 63.596 63.200 0.022 0.000 0.921 1217 S HN 0.488 nan 8.310 nan 0.000 0.527 1218 I N 3.168 123.692 120.570 -0.078 0.000 2.648 1218 I HA 0.194 4.364 4.170 -0.000 0.000 0.284 1218 I C 1.734 177.817 176.117 -0.056 0.000 1.153 1218 I CA 1.583 62.782 61.300 -0.168 0.000 1.426 1218 I CB 0.100 37.800 38.000 -0.500 0.000 1.381 1218 I HN 1.080 nan 8.210 nan 0.000 0.571 1219 G N 5.354 114.125 108.800 -0.048 0.000 2.179 1219 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 1219 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 1219 G C 0.415 175.317 174.900 0.003 0.000 0.977 1219 G CA 0.282 45.386 45.100 0.007 0.000 0.641 1219 G HN 0.673 nan 8.290 nan 0.000 0.533 1220 E N 1.312 121.503 120.200 -0.015 0.000 1.833 1220 E HA 0.536 4.886 4.350 -0.000 0.000 0.258 1220 E C 1.065 177.629 176.600 -0.059 0.000 1.257 1220 E CA 0.502 56.892 56.400 -0.017 0.000 1.003 1220 E CB -0.414 29.284 29.700 -0.004 0.000 1.068 1220 E HN 1.054 nan 8.360 nan 0.000 0.422 1221 A N 4.676 127.477 122.820 -0.031 0.000 2.544 1221 A HA -0.013 4.307 4.320 -0.000 0.000 0.286 1221 A C 1.174 178.717 177.584 -0.067 0.000 1.274 1221 A CA 0.108 52.123 52.037 -0.036 0.000 0.943 1221 A CB -0.268 18.731 19.000 -0.001 0.000 1.032 1221 A HN 0.554 nan 8.150 nan 0.000 0.560 1222 V N 3.782 123.605 119.914 -0.152 0.000 2.453 1222 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 1222 V C 2.808 178.853 176.094 -0.082 0.000 1.048 1222 V CA 1.991 64.154 62.300 -0.228 0.000 1.049 1222 V CB -1.413 30.057 31.823 -0.589 0.000 0.672 1222 V HN 0.911 nan 8.190 nan 0.000 0.457 1223 G N 0.956 109.728 108.800 -0.047 0.000 2.719 1223 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.219 1223 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.219 1223 G C 1.645 176.571 174.900 0.044 0.000 1.234 1223 G CA 1.918 47.029 45.100 0.019 0.000 0.788 1223 G HN 0.370 nan 8.290 nan 0.000 0.619 1224 V N 0.570 120.513 119.914 0.047 0.000 2.295 1224 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 1224 V C 2.943 179.047 176.094 0.017 0.000 1.049 1224 V CA 1.598 63.912 62.300 0.023 0.000 1.024 1224 V CB -0.696 31.128 31.823 0.003 0.000 0.648 1224 V HN 0.248 nan 8.190 nan 0.000 0.447 1225 V N 0.193 120.120 119.914 0.022 0.000 3.330 1225 V HA -0.064 4.056 4.120 -0.000 0.000 0.273 1225 V C 1.999 178.124 176.094 0.050 0.000 1.179 1225 V CA 1.501 63.827 62.300 0.043 0.000 1.174 1225 V CB -1.196 30.664 31.823 0.062 0.000 0.794 1225 V HN 0.553 nan 8.190 nan 0.000 0.527 1226 A N -0.998 121.853 122.820 0.051 0.000 2.211 1226 A HA 0.597 4.917 4.320 -0.000 0.000 0.208 1226 A C 2.092 179.678 177.584 0.002 0.000 1.250 1226 A CA 0.895 52.989 52.037 0.095 0.000 0.935 1226 A CB 0.017 19.171 19.000 0.256 0.000 0.982 1226 A HN 0.435 nan 8.150 nan 0.000 0.490 1227 A N 0.756 123.577 122.820 0.001 0.000 1.831 1227 A HA -0.015 4.305 4.320 -0.000 0.000 0.213 1227 A C 1.709 179.284 177.584 -0.015 0.000 1.223 1227 A CA 1.360 53.386 52.037 -0.018 0.000 0.604 1227 A CB -0.768 18.218 19.000 -0.023 0.000 0.878 1227 A HN 0.460 nan 8.150 nan 0.000 0.450 1228 E N 0.393 120.589 120.200 -0.006 0.000 2.113 1228 E HA -0.250 4.100 4.350 -0.000 0.000 0.210 1228 E C 2.266 178.874 176.600 0.013 0.000 1.040 1228 E CA 1.802 58.215 56.400 0.022 0.000 0.847 1228 E CB -0.406 29.325 29.700 0.051 0.000 0.755 1228 E HN 0.549 nan 8.360 nan 0.000 0.459 1229 S N 0.790 116.452 115.700 -0.063 0.000 2.372 1229 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 1229 S C 2.042 176.606 174.600 -0.061 0.000 1.044 1229 S CA 1.423 59.531 58.200 -0.154 0.000 1.050 1229 S CB -0.319 62.580 63.200 -0.502 0.000 0.901 1229 S HN 0.244 nan 8.310 nan 0.000 0.447 1230 I N 0.944 121.526 120.570 0.020 0.000 2.617 1230 I HA -0.024 4.146 4.170 -0.000 0.000 0.256 1230 I C 2.516 178.742 176.117 0.181 0.000 1.167 1230 I CA 0.877 62.312 61.300 0.224 0.000 1.469 1230 I CB -0.638 37.551 38.000 0.316 0.000 1.098 1230 I HN 0.352 nan 8.210 nan 0.000 0.436 1231 G N 0.290 109.139 108.800 0.082 0.000 2.408 1231 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.213 1231 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.213 1231 G C 1.550 176.463 174.900 0.022 0.000 1.177 1231 G CA 0.132 45.267 45.100 0.058 0.000 0.802 1231 G HN 0.232 nan 8.290 nan 0.000 0.533 1232 E N 1.532 121.756 120.200 0.041 0.000 2.012 1232 E HA -0.097 4.252 4.350 -0.000 0.000 0.197 1232 E C -0.801 175.781 176.600 -0.030 0.000 1.007 1232 E CA 0.940 57.383 56.400 0.072 0.000 0.816 1232 E CB -1.184 28.671 29.700 0.257 0.000 0.762 1232 E HN 0.225 nan 8.360 nan 0.000 0.451 1233 P HA 0.071 nan 4.420 nan 0.000 0.262 1233 P C -0.136 176.928 177.300 -0.393 0.000 1.647 1233 P CA 0.671 63.639 63.100 -0.220 0.000 0.865 1233 P CB -0.387 31.170 31.700 -0.238 0.000 1.834 1234 G N -1.845 106.822 108.800 -0.222 0.000 3.443 1234 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.252 1234 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.252 1234 G C 0.728 175.587 174.900 -0.069 0.000 1.015 1234 G CA 0.063 45.050 45.100 -0.187 0.000 0.891 1234 G HN 0.115 nan 8.290 nan 0.000 0.510 1235 T N 0.651 115.171 114.554 -0.057 0.000 3.244 1235 T HA 0.197 4.547 4.350 -0.000 0.000 0.254 1235 T C 1.195 175.878 174.700 -0.027 0.000 1.024 1235 T CA 0.204 62.293 62.100 -0.018 0.000 0.920 1235 T CB 0.125 68.991 68.868 -0.003 0.000 1.042 1235 T HN 0.268 nan 8.240 nan 0.000 0.572 1236 Q N 0.926 120.692 119.800 -0.056 0.000 2.135 1236 Q HA 0.373 4.712 4.340 -0.000 0.000 0.231 1236 Q C -0.588 175.396 176.000 -0.026 0.000 0.817 1236 Q CA -0.046 55.728 55.803 -0.048 0.000 1.073 1236 Q CB 0.670 29.360 28.738 -0.080 0.000 1.176 1236 Q HN 0.436 nan 8.270 nan 0.000 0.478 1237 L N 0.026 121.247 121.223 -0.003 0.000 2.381 1237 L HA 0.516 4.855 4.340 -0.000 0.000 0.268 1237 L C 0.275 177.164 176.870 0.031 0.000 0.997 1237 L CA -0.980 53.877 54.840 0.029 0.000 0.818 1237 L CB 1.899 43.999 42.059 0.070 0.000 1.310 1237 L HN -0.062 nan 8.230 nan 0.000 0.416 1238 T N 1.332 115.905 114.554 0.031 0.000 2.716 1238 T HA -0.009 4.341 4.350 -0.000 0.000 0.335 1238 T C 0.535 175.257 174.700 0.037 0.000 1.081 1238 T CA 0.324 62.442 62.100 0.030 0.000 1.073 1238 T CB 0.441 69.325 68.868 0.027 0.000 0.993 1238 T HN 0.567 nan 8.240 nan 0.000 0.547 1239 M N 0.398 120.022 119.600 0.039 0.000 2.511 1239 M HA 0.356 4.836 4.480 -0.000 0.000 0.387 1239 M C 0.264 176.593 176.300 0.049 0.000 1.112 1239 M CA -0.013 55.318 55.300 0.050 0.000 0.921 1239 M CB -0.366 32.270 32.600 0.058 0.000 1.501 1239 M HN 0.614 nan 8.290 nan 0.000 0.538 1240 R N -0.800 119.723 120.500 0.038 0.000 2.930 1240 R HA 1.012 5.352 4.340 -0.000 0.000 0.257 1240 R C -0.051 176.267 176.300 0.030 0.000 1.107 1240 R CA 0.018 56.139 56.100 0.035 0.000 0.999 1240 R CB -0.286 30.032 30.300 0.030 0.000 1.209 1240 R HN 0.414 nan 8.270 nan 0.000 0.486 1251 T N 1.778 116.335 114.554 0.006 0.000 3.767 1251 T HA 0.440 4.789 4.350 -0.000 0.000 0.360 1251 T C -1.548 173.156 174.700 0.006 0.000 1.181 1251 T CA -0.668 61.435 62.100 0.005 0.000 1.110 1251 T CB 2.207 71.077 68.868 0.004 0.000 1.201 1251 T HN 0.370 nan 8.240 nan 0.000 0.474 1252 D N 1.169 121.573 120.400 0.007 0.000 2.273 1252 D HA 0.312 4.952 4.640 -0.000 0.000 0.247 1252 D C 1.952 178.256 176.300 0.007 0.000 1.313 1252 D CA -0.079 53.926 54.000 0.008 0.000 0.974 1252 D CB 0.434 41.240 40.800 0.010 0.000 1.157 1252 D HN 0.719 nan 8.370 nan 0.000 0.533 1253 I N -1.713 118.862 120.570 0.009 0.000 4.088 1253 I HA -0.415 3.755 4.170 -0.000 0.000 0.114 1253 I C 1.214 177.330 176.117 -0.001 0.000 0.462 1253 I CA 1.715 63.020 61.300 0.008 0.000 1.211 1253 I CB -1.273 36.733 38.000 0.010 0.000 1.072 1253 I HN 0.310 nan 8.210 nan 0.000 0.190 1254 T N 2.964 117.517 114.554 -0.002 0.000 3.496 1254 T HA 0.070 4.419 4.350 -0.000 0.000 0.253 1254 T C 0.404 175.096 174.700 -0.013 0.000 1.134 1254 T CA 0.731 62.825 62.100 -0.010 0.000 0.993 1254 T CB -0.344 68.523 68.868 -0.002 0.000 1.018 1254 T HN 0.433 nan 8.240 nan 0.000 0.571 1255 Q N -0.248 119.548 119.800 -0.007 0.000 2.484 1255 Q HA 0.554 4.894 4.340 -0.000 0.000 0.285 1255 Q C 0.771 176.773 176.000 0.004 0.000 1.097 1255 Q CA -0.845 54.958 55.803 -0.001 0.000 0.802 1255 Q CB 2.272 31.015 28.738 0.008 0.000 1.444 1255 Q HN 0.352 nan 8.270 nan 0.000 0.429 1256 G N 0.742 109.552 108.800 0.017 0.000 2.595 1256 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.382 1256 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.382 1256 G C 0.572 175.494 174.900 0.036 0.000 1.327 1256 G CA 0.460 45.581 45.100 0.035 0.000 0.916 1256 G HN 0.638 nan 8.290 nan 0.000 0.547 1257 L N 1.636 122.892 121.223 0.055 0.000 1.978 1257 L HA -0.040 4.300 4.340 -0.000 0.000 0.218 1257 L C 0.552 177.423 176.870 0.002 0.000 1.075 1257 L CA 3.557 58.428 54.840 0.051 0.000 0.767 1257 L CB -1.376 40.709 42.059 0.044 0.000 0.890 1257 L HN 0.493 nan 8.230 nan 0.000 0.434 1258 P HA -0.273 nan 4.420 nan 0.000 0.221 1258 P C 1.445 178.736 177.300 -0.016 0.000 1.153 1258 P CA 2.204 65.305 63.100 0.001 0.000 0.858 1258 P CB -0.162 31.553 31.700 0.024 0.000 0.783 1259 R N -0.425 120.059 120.500 -0.028 0.000 2.055 1259 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 1259 R C 1.848 178.083 176.300 -0.109 0.000 1.135 1259 R CA 1.219 57.284 56.100 -0.057 0.000 0.959 1259 R CB -0.898 29.362 30.300 -0.067 0.000 0.854 1259 R HN -0.070 nan 8.270 nan 0.000 0.431 1260 V N 1.729 121.566 119.914 -0.128 0.000 2.764 1260 V HA -0.271 3.849 4.120 -0.000 0.000 0.261 1260 V C 2.159 178.182 176.094 -0.118 0.000 1.108 1260 V CA 1.216 63.383 62.300 -0.221 0.000 1.129 1260 V CB -0.586 31.177 31.823 -0.099 0.000 0.701 1260 V HN 0.392 nan 8.190 nan 0.000 0.495 1261 I N -0.151 120.391 120.570 -0.047 0.000 2.512 1261 I HA -0.053 4.116 4.170 -0.000 0.000 0.247 1261 I C 2.513 178.644 176.117 0.022 0.000 1.094 1261 I CA 1.386 62.687 61.300 0.002 0.000 1.427 1261 I CB -0.801 37.130 38.000 -0.114 0.000 1.149 1261 I HN 0.444 nan 8.210 nan 0.000 0.438 1262 E N 0.789 120.985 120.200 -0.007 0.000 2.333 1262 E HA -0.253 4.097 4.350 -0.000 0.000 0.200 1262 E C 2.007 178.606 176.600 -0.001 0.000 1.010 1262 E CA 1.245 57.650 56.400 0.010 0.000 0.841 1262 E CB 0.133 29.834 29.700 0.002 0.000 0.757 1262 E HN 0.234 nan 8.360 nan 0.000 0.508 1263 L N -0.580 120.603 121.223 -0.067 0.000 2.185 1263 L HA 0.109 4.449 4.340 -0.000 0.000 0.198 1263 L C 1.861 178.701 176.870 -0.050 0.000 1.079 1263 L CA 1.264 56.026 54.840 -0.131 0.000 0.780 1263 L CB -0.646 41.211 42.059 -0.336 0.000 0.955 1263 L HN 0.193 nan 8.230 nan 0.000 0.462 1264 F N -0.452 119.468 119.950 -0.049 0.000 2.411 1264 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 1264 F C 2.056 177.857 175.800 0.002 0.000 1.077 1264 F CA 0.763 58.745 58.000 -0.029 0.000 1.439 1264 F CB 0.225 39.203 39.000 -0.037 0.000 1.085 1264 F HN 0.245 nan 8.300 nan 0.000 0.564 1265 E N -0.499 119.811 120.200 0.183 0.000 2.453 1265 E HA 0.369 4.718 4.350 -0.000 0.000 0.211 1265 E C 0.121 176.791 176.600 0.117 0.000 0.897 1265 E CA 0.614 57.094 56.400 0.134 0.000 1.063 1265 E CB 0.762 30.531 29.700 0.115 0.000 1.080 1265 E HN 0.132 nan 8.360 nan 0.000 0.512 1266 A N 0.558 123.439 122.820 0.102 0.000 2.435 1266 A HA -0.083 4.237 4.320 -0.000 0.000 0.686 1266 A C -0.403 177.253 177.584 0.119 0.000 0.138 1266 A CA 0.915 53.024 52.037 0.120 0.000 0.024 1266 A CB -0.495 18.609 19.000 0.172 0.000 3.974 1266 A HN 0.168 nan 8.150 nan 0.000 0.548 1267 R N -0.562 120.004 120.500 0.109 0.000 3.964 1267 R HA 0.287 4.627 4.340 -0.000 0.000 0.244 1267 R C -0.548 175.785 176.300 0.055 0.000 1.004 1267 R CA -0.817 55.328 56.100 0.074 0.000 1.148 1267 R CB 0.716 31.050 30.300 0.056 0.000 1.234 1267 R HN 1.064 nan 8.270 nan 0.000 0.567 1268 R N 4.018 124.539 120.500 0.034 0.000 2.630 1268 R HA 0.065 4.405 4.340 -0.000 0.000 0.286 1268 R C -1.857 174.453 176.300 0.017 0.000 1.391 1268 R CA -0.887 55.223 56.100 0.017 0.000 1.027 1268 R CB -0.233 30.067 30.300 -0.001 0.000 1.099 1268 R HN 0.293 nan 8.270 nan 0.000 0.525 1269 P HA 0.013 nan 4.420 nan 0.000 0.296 1269 P C 0.019 177.326 177.300 0.011 0.000 1.295 1269 P CA -0.323 62.788 63.100 0.019 0.000 0.754 1269 P CB 0.771 32.485 31.700 0.024 0.000 1.311 1270 K N -0.286 120.120 120.400 0.010 0.000 1.963 1270 K HA -0.156 4.164 4.320 -0.000 0.000 0.216 1270 K C 2.116 178.717 176.600 0.001 0.000 1.045 1270 K CA 1.800 58.091 56.287 0.006 0.000 0.954 1270 K CB -1.180 31.324 32.500 0.008 0.000 0.732 1270 K HN 0.375 nan 8.250 nan 0.000 0.442 1271 A N 0.662 123.484 122.820 0.002 0.000 1.891 1271 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 1271 A C 1.306 178.883 177.584 -0.013 0.000 1.394 1271 A CA 3.971 56.006 52.037 -0.003 0.000 0.730 1271 A CB -1.753 17.248 19.000 0.003 0.000 0.845 1271 A HN 0.756 nan 8.150 nan 0.000 0.471 1272 K N -2.356 118.036 120.400 -0.014 0.000 3.393 1272 K HA 0.127 4.446 4.320 -0.000 0.000 0.272 1272 K C 0.245 176.815 176.600 -0.051 0.000 1.004 1272 K CA 1.562 57.832 56.287 -0.029 0.000 0.764 1272 K CB -2.855 29.629 32.500 -0.026 0.000 1.373 1272 K HN 2.319 nan 8.250 nan 0.000 0.458 1273 A N 1.337 124.123 122.820 -0.056 0.000 2.444 1273 A HA 0.568 4.888 4.320 -0.000 0.000 0.273 1273 A C 0.985 178.496 177.584 -0.122 0.000 1.136 1273 A CA 0.178 52.171 52.037 -0.074 0.000 0.799 1273 A CB 0.206 19.171 19.000 -0.059 0.000 1.081 1273 A HN 1.654 nan 8.150 nan 0.000 0.509 1274 V N 2.153 121.972 119.914 -0.158 0.000 3.083 1274 V HA 0.103 4.223 4.120 -0.000 0.000 0.303 1274 V C 0.119 176.044 176.094 -0.282 0.000 1.151 1274 V CA 0.614 62.747 62.300 -0.279 0.000 1.275 1274 V CB -0.452 31.145 31.823 -0.378 0.000 0.950 1274 V HN 0.829 nan 8.190 nan 0.000 0.506 1275 I N 0.710 121.069 120.570 -0.352 0.000 2.560 1275 I HA 0.401 4.570 4.170 -0.000 0.000 0.278 1275 I C 0.093 176.092 176.117 -0.196 0.000 1.089 1275 I CA -0.849 60.314 61.300 -0.230 0.000 1.086 1275 I CB 1.161 39.064 38.000 -0.163 0.000 1.202 1275 I HN 0.526 nan 8.210 nan 0.000 0.471 1276 S N 4.160 119.817 115.700 -0.072 0.000 3.746 1276 S HA -0.113 4.357 4.470 -0.000 0.000 0.446 1276 S C 1.247 175.925 174.600 0.130 0.000 1.133 1276 S CA 0.763 59.086 58.200 0.206 0.000 1.060 1276 S CB 0.049 63.377 63.200 0.212 0.000 0.729 1276 S HN 0.746 nan 8.310 nan 0.000 0.510 1277 E N 4.353 124.669 120.200 0.194 0.000 2.150 1277 E HA -0.011 4.338 4.350 -0.000 0.000 0.193 1277 E C 0.685 177.316 176.600 0.051 0.000 0.985 1277 E CA 0.746 57.194 56.400 0.080 0.000 0.814 1277 E CB 0.006 29.746 29.700 0.067 0.000 0.752 1277 E HN 0.698 nan 8.360 nan 0.000 0.466 1278 I N 1.383 121.997 120.570 0.072 0.000 3.062 1278 I HA 0.023 4.192 4.170 -0.000 0.000 0.318 1278 I C 0.862 177.033 176.117 0.089 0.000 1.026 1278 I CA -0.520 60.825 61.300 0.075 0.000 1.096 1278 I CB 1.013 39.065 38.000 0.086 0.000 1.348 1278 I HN -0.106 nan 8.210 nan 0.000 0.543 1279 D N 2.120 122.580 120.400 0.100 0.000 2.354 1279 D HA 0.063 4.703 4.640 -0.000 0.000 0.209 1279 D C 1.111 177.456 176.300 0.075 0.000 1.015 1279 D CA 0.186 54.232 54.000 0.076 0.000 0.867 1279 D CB 0.017 40.857 40.800 0.067 0.000 0.933 1279 D HN 0.716 nan 8.370 nan 0.000 0.520 1280 G N 1.312 110.170 108.800 0.097 0.000 2.587 1280 G HA2 0.031 3.991 3.960 -0.000 0.000 0.666 1280 G HA3 0.031 3.991 3.960 -0.000 0.000 0.666 1280 G C 0.430 175.367 174.900 0.062 0.000 1.239 1280 G CA -0.036 45.115 45.100 0.085 0.000 1.353 1280 G HN 0.074 nan 8.290 nan 0.000 0.780 1281 V N -1.219 118.728 119.914 0.054 0.000 3.096 1281 V HA 0.411 4.531 4.120 -0.000 0.000 0.319 1281 V C 1.638 177.761 176.094 0.048 0.000 1.103 1281 V CA -0.281 62.043 62.300 0.041 0.000 1.016 1281 V CB 1.098 32.934 31.823 0.023 0.000 1.090 1281 V HN 0.821 nan 8.190 nan 0.000 0.449 1282 V N -0.172 119.766 119.914 0.040 0.000 2.380 1282 V HA -0.325 3.795 4.120 -0.000 0.000 0.216 1282 V C 1.144 177.277 176.094 0.065 0.000 0.915 1282 V CA 2.051 64.378 62.300 0.045 0.000 1.065 1282 V CB -1.201 30.636 31.823 0.024 0.000 0.775 1282 V HN 1.178 nan 8.190 nan 0.000 0.539 1283 R N 0.194 120.717 120.500 0.038 0.000 2.002 1283 R HA -0.168 4.172 4.340 -0.000 0.000 0.346 1283 R C -1.047 175.340 176.300 0.145 0.000 1.193 1283 R CA 0.927 57.047 56.100 0.032 0.000 1.111 1283 R CB -1.440 28.842 30.300 -0.029 0.000 3.159 1283 R HN 0.600 nan 8.270 nan 0.000 0.494 1284 I N 4.535 125.173 120.570 0.112 0.000 2.641 1284 I HA 0.167 4.337 4.170 -0.000 0.000 0.275 1284 I C -0.159 176.038 176.117 0.134 0.000 1.129 1284 I CA -0.765 60.629 61.300 0.157 0.000 1.094 1284 I CB 1.431 39.492 38.000 0.102 0.000 1.232 1284 I HN 0.394 nan 8.210 nan 0.000 0.503 1285 E N 4.997 125.323 120.200 0.209 0.000 2.129 1285 E HA 0.055 4.404 4.350 -0.000 0.000 0.283 1285 E C 0.038 176.713 176.600 0.126 0.000 1.080 1285 E CA -0.067 56.423 56.400 0.150 0.000 0.867 1285 E CB 1.187 31.006 29.700 0.198 0.000 1.056 1285 E HN 0.461 nan 8.360 nan 0.000 0.404 1286 E N 2.558 122.805 120.200 0.077 0.000 1.802 1286 E HA 0.168 4.518 4.350 -0.000 0.000 0.265 1286 E C 0.039 176.669 176.600 0.050 0.000 1.168 1286 E CA -0.404 56.031 56.400 0.058 0.000 1.033 1286 E CB -0.067 29.658 29.700 0.042 0.000 1.095 1286 E HN 0.498 nan 8.360 nan 0.000 0.436 1287 G N 2.616 111.449 108.800 0.055 0.000 2.334 1287 G HA2 0.122 4.082 3.960 -0.000 0.000 0.261 1287 G HA3 0.122 4.082 3.960 -0.000 0.000 0.261 1287 G C 0.980 175.898 174.900 0.030 0.000 1.257 1287 G CA 0.229 45.355 45.100 0.043 0.000 0.935 1287 G HN 0.721 nan 8.290 nan 0.000 0.480 1288 E N 1.685 121.900 120.200 0.025 0.000 2.233 1288 E HA -0.285 4.064 4.350 -0.000 0.000 0.210 1288 E C 1.693 178.302 176.600 0.016 0.000 1.046 1288 E CA 2.153 58.564 56.400 0.018 0.000 0.844 1288 E CB -0.265 29.445 29.700 0.015 0.000 0.741 1288 E HN 0.616 nan 8.360 nan 0.000 0.465 1289 D N -2.199 118.210 120.400 0.015 0.000 2.498 1289 D HA 0.056 4.695 4.640 -0.000 0.000 0.223 1289 D C -0.181 176.126 176.300 0.011 0.000 1.125 1289 D CA -0.037 53.970 54.000 0.012 0.000 0.835 1289 D CB 0.507 41.312 40.800 0.009 0.000 1.086 1289 D HN 0.114 nan 8.370 nan 0.000 0.510 1290 R N 1.465 121.974 120.500 0.015 0.000 2.407 1290 R HA 0.241 4.581 4.340 -0.000 0.000 0.298 1290 R C 0.036 176.348 176.300 0.018 0.000 1.166 1290 R CA -0.594 55.513 56.100 0.011 0.000 1.006 1290 R CB 0.735 31.039 30.300 0.006 0.000 1.145 1290 R HN -0.029 nan 8.270 nan 0.000 0.538 1291 L N 2.190 123.424 121.223 0.018 0.000 2.801 1291 L HA 0.031 4.371 4.340 -0.000 0.000 0.250 1291 L C 0.057 176.944 176.870 0.029 0.000 1.222 1291 L CA 0.418 55.275 54.840 0.029 0.000 1.054 1291 L CB -0.679 41.395 42.059 0.027 0.000 1.330 1291 L HN 0.455 nan 8.230 nan 0.000 0.426 1292 S N -1.497 114.205 115.700 0.003 0.000 2.553 1292 S HA 0.127 4.597 4.470 -0.000 0.000 0.293 1292 S C 0.110 174.704 174.600 -0.010 0.000 1.296 1292 S CA -0.605 57.562 58.200 -0.054 0.000 1.046 1292 S CB 0.707 63.792 63.200 -0.192 0.000 0.810 1292 S HN 0.019 nan 8.310 nan 0.000 0.505 1293 V N 3.441 123.344 119.914 -0.018 0.000 2.349 1293 V HA 0.376 4.496 4.120 -0.000 0.000 0.284 1293 V C -0.638 175.454 176.094 -0.003 0.000 1.014 1293 V CA -0.631 61.722 62.300 0.089 0.000 0.826 1293 V CB 0.267 32.177 31.823 0.146 0.000 1.009 1293 V HN 0.751 nan 8.190 nan 0.000 0.431 1294 F N 3.563 123.475 119.950 -0.063 0.000 2.406 1294 F HA 0.482 5.009 4.527 -0.000 0.000 0.327 1294 F C 0.644 176.369 175.800 -0.124 0.000 1.153 1294 F CA -0.527 57.383 58.000 -0.151 0.000 1.218 1294 F CB 1.098 40.040 39.000 -0.096 0.000 1.215 1294 F HN 0.143 nan 8.300 nan 0.000 0.570 1295 V N 1.951 121.875 119.914 0.016 0.000 2.462 1295 V HA 0.159 4.279 4.120 -0.000 0.000 0.257 1295 V C -0.488 175.643 176.094 0.061 0.000 0.944 1295 V CA -0.650 61.671 62.300 0.035 0.000 0.903 1295 V CB 0.188 32.023 31.823 0.021 0.000 1.128 1295 V HN 0.754 nan 8.190 nan 0.000 0.486 1296 E N 1.372 121.627 120.200 0.092 0.000 2.231 1296 E HA 0.755 5.105 4.350 -0.000 0.000 0.277 1296 E C -0.671 175.975 176.600 0.076 0.000 0.999 1296 E CA -0.522 55.936 56.400 0.097 0.000 0.827 1296 E CB 2.193 31.930 29.700 0.061 0.000 1.101 1296 E HN 0.332 nan 8.360 nan 0.000 0.393 1297 S N 0.965 116.719 115.700 0.091 0.000 2.751 1297 S HA 0.088 4.558 4.470 -0.000 0.000 0.310 1297 S C 0.638 175.232 174.600 -0.011 0.000 1.128 1297 S CA -0.638 57.585 58.200 0.037 0.000 0.931 1297 S CB 1.318 64.544 63.200 0.044 0.000 1.177 1297 S HN 0.756 nan 8.310 nan 0.000 0.530 1298 E N 0.266 120.438 120.200 -0.047 0.000 2.472 1298 E HA 0.034 4.384 4.350 -0.000 0.000 0.200 1298 E C 1.180 177.713 176.600 -0.112 0.000 1.046 1298 E CA 0.836 57.197 56.400 -0.064 0.000 0.871 1298 E CB -0.296 29.367 29.700 -0.062 0.000 0.806 1298 E HN 0.584 nan 8.360 nan 0.000 0.533 1299 G N 1.024 109.711 108.800 -0.189 0.000 2.542 1299 G HA2 0.241 4.200 3.960 -0.000 0.000 0.211 1299 G HA3 0.241 4.200 3.960 -0.000 0.000 0.211 1299 G C 0.278 175.017 174.900 -0.269 0.000 1.702 1299 G CA 0.312 45.178 45.100 -0.391 0.000 0.935 1299 G HN 0.238 nan 8.290 nan 0.000 0.509 1300 F N -0.396 119.553 119.950 -0.002 0.000 2.561 1300 F HA 0.877 5.404 4.527 -0.000 0.000 0.384 1300 F C 0.270 176.072 175.800 0.003 0.000 1.131 1300 F CA -2.259 55.741 58.000 0.000 0.000 1.133 1300 F CB 0.410 39.410 39.000 0.001 0.000 1.506 1300 F HN 0.141 nan 8.300 nan 0.000 0.499 1301 S N -1.335 114.542 115.700 0.295 0.000 2.732 1301 S HA 0.734 5.203 4.470 -0.000 0.000 0.293 1301 S C -1.568 173.043 174.600 0.018 0.000 1.159 1301 S CA -0.748 57.548 58.200 0.160 0.000 0.847 1301 S CB 2.231 65.538 63.200 0.177 0.000 1.169 1301 S HN 0.480 nan 8.310 nan 0.000 0.501 1302 K N 1.514 121.873 120.400 -0.068 0.000 2.588 1302 K HA 0.359 4.679 4.320 -0.000 0.000 0.250 1302 K C -1.625 174.622 176.600 -0.588 0.000 0.972 1302 K CA -0.142 55.946 56.287 -0.331 0.000 0.821 1302 K CB 1.478 33.716 32.500 -0.437 0.000 1.249 1302 K HN 0.530 nan 8.250 nan 0.000 0.442 1303 E N 2.586 122.449 120.200 -0.562 0.000 2.216 1303 E HA 0.276 4.625 4.350 -0.000 0.000 0.279 1303 E C -0.851 175.473 176.600 -0.461 0.000 0.997 1303 E CA -0.640 55.351 56.400 -0.681 0.000 0.817 1303 E CB 1.291 30.697 29.700 -0.491 0.000 1.096 1303 E HN 0.482 nan 8.360 nan 0.000 0.393 1304 Y N 3.357 123.479 120.300 -0.297 0.000 2.363 1304 Y HA 0.117 4.667 4.550 -0.000 0.000 0.325 1304 Y C 0.344 176.153 175.900 -0.152 0.000 0.984 1304 Y CA -1.427 56.570 58.100 -0.173 0.000 1.248 1304 Y CB 1.073 39.462 38.460 -0.118 0.000 1.116 1304 Y HN 0.336 nan 8.280 nan 0.000 0.470 1305 K N 2.786 123.214 120.400 0.048 0.000 2.518 1305 K HA 0.118 4.437 4.320 -0.000 0.000 0.276 1305 K C -1.326 175.278 176.600 0.008 0.000 0.974 1305 K CA -0.099 56.187 56.287 -0.001 0.000 0.986 1305 K CB 1.320 33.815 32.500 -0.007 0.000 0.901 1305 K HN 0.571 nan 8.250 nan 0.000 0.497 1306 L N 3.672 124.895 121.223 0.000 0.000 2.555 1306 L HA 0.264 4.604 4.340 -0.000 0.000 0.264 1306 L C -2.206 174.665 176.870 0.002 0.000 0.972 1306 L CA -1.399 53.444 54.840 0.004 0.000 0.876 1306 L CB 1.900 43.969 42.059 0.017 0.000 1.216 1306 L HN 0.477 nan 8.230 nan 0.000 0.415 1307 P HA 0.018 nan 4.420 nan 0.000 0.199 1307 P C -0.214 177.088 177.300 0.002 0.000 1.146 1307 P CA 1.488 64.587 63.100 -0.001 0.000 0.905 1307 P CB 0.286 31.983 31.700 -0.005 0.000 0.737 1308 K N -2.210 118.191 120.400 0.002 0.000 2.609 1308 K HA 0.238 4.558 4.320 -0.000 0.000 0.195 1308 K C 0.333 176.935 176.600 0.004 0.000 1.144 1308 K CA 0.072 56.361 56.287 0.004 0.000 1.084 1308 K CB 0.192 32.694 32.500 0.003 0.000 0.877 1308 K HN 0.175 nan 8.250 nan 0.000 0.540 1309 D N 1.202 121.604 120.400 0.002 0.000 2.325 1309 D HA 0.307 4.947 4.640 -0.000 0.000 0.237 1309 D C 0.220 176.524 176.300 0.007 0.000 1.328 1309 D CA 0.280 54.281 54.000 0.001 0.000 0.918 1309 D CB 0.321 41.118 40.800 -0.005 0.000 1.156 1309 D HN 0.229 nan 8.370 nan 0.000 0.485 1310 A N -0.388 122.436 122.820 0.006 0.000 3.095 1310 A HA 0.585 4.905 4.320 -0.000 0.000 0.301 1310 A C 1.240 178.832 177.584 0.014 0.000 1.432 1310 A CA 0.440 52.483 52.037 0.010 0.000 1.140 1310 A CB -0.930 18.075 19.000 0.009 0.000 1.174 1310 A HN 1.207 nan 8.150 nan 0.000 0.546 1311 R N 1.871 122.382 120.500 0.020 0.000 3.072 1311 R HA 0.266 4.605 4.340 -0.000 0.000 0.220 1311 R C -0.010 176.309 176.300 0.031 0.000 1.627 1311 R CA -0.006 56.111 56.100 0.029 0.000 1.079 1311 R CB -1.486 28.838 30.300 0.039 0.000 1.217 1311 R HN 0.567 nan 8.270 nan 0.000 0.615 1312 L N 3.060 124.298 121.223 0.026 0.000 2.780 1312 L HA -0.087 4.253 4.340 -0.000 0.000 0.275 1312 L C 1.677 178.567 176.870 0.033 0.000 1.153 1312 L CA 0.462 55.318 54.840 0.026 0.000 0.993 1312 L CB -0.979 41.093 42.059 0.021 0.000 1.319 1312 L HN 0.635 nan 8.230 nan 0.000 0.479 1313 L N 5.030 126.272 121.223 0.031 0.000 1.938 1313 L HA -0.050 4.290 4.340 -0.000 0.000 0.244 1313 L C 1.633 178.523 176.870 0.034 0.000 1.070 1313 L CA 1.513 56.374 54.840 0.034 0.000 0.916 1313 L CB -0.719 41.356 42.059 0.027 0.000 0.927 1313 L HN 0.589 nan 8.230 nan 0.000 0.437 1314 V N -2.405 117.525 119.914 0.027 0.000 0.710 1314 V HA 0.030 4.150 4.120 -0.000 0.000 0.095 1314 V C -0.125 175.984 176.094 0.025 0.000 0.767 1314 V CA 2.988 65.302 62.300 0.024 0.000 3.095 1314 V CB -1.688 30.150 31.823 0.026 0.000 0.210 1314 V HN 0.976 nan 8.190 nan 0.000 0.064 1315 K N -1.853 118.561 120.400 0.024 0.000 1.648 1315 K HA 0.647 4.966 4.320 -0.000 0.000 0.269 1315 K C 0.069 176.683 176.600 0.023 0.000 0.680 1315 K CA 0.787 57.087 56.287 0.022 0.000 0.380 1315 K CB -0.990 31.518 32.500 0.014 0.000 2.362 1315 K HN 2.328 nan 8.250 nan 0.000 0.814 1316 D N 0.821 121.231 120.400 0.016 0.000 2.777 1316 D HA 0.309 4.949 4.640 -0.000 0.000 0.218 1316 D C 0.788 177.100 176.300 0.020 0.000 1.153 1316 D CA 2.988 56.998 54.000 0.016 0.000 0.846 1316 D CB -0.216 40.589 40.800 0.009 0.000 1.209 1316 D HN 1.573 nan 8.370 nan 0.000 0.517 1317 G N 0.522 109.335 108.800 0.023 0.000 2.728 1317 G HA2 0.394 4.354 3.960 -0.000 0.000 0.686 1317 G HA3 0.394 4.354 3.960 -0.000 0.000 0.686 1317 G C -0.384 174.537 174.900 0.034 0.000 1.337 1317 G CA 0.367 45.482 45.100 0.025 0.000 0.861 1317 G HN 1.050 nan 8.290 nan 0.000 0.597 1318 D N -1.951 118.470 120.400 0.036 0.000 2.790 1318 D HA 0.647 5.287 4.640 -0.000 0.000 0.114 1318 D C 0.769 177.096 176.300 0.045 0.000 0.865 1318 D CA 1.177 55.203 54.000 0.043 0.000 1.599 1318 D CB -0.979 39.857 40.800 0.061 0.000 3.268 1318 D HN 2.269 nan 8.370 nan 0.000 0.840 1319 Y N -0.733 119.587 120.300 0.032 0.000 2.239 1319 Y HA 0.506 5.056 4.550 -0.000 0.000 0.293 1319 Y C 2.399 178.314 175.900 0.025 0.000 1.126 1319 Y CA 1.980 60.097 58.100 0.029 0.000 1.128 1319 Y CB 0.437 38.907 38.460 0.017 0.000 1.066 1319 Y HN 1.056 nan 8.280 nan 0.000 0.516 1320 V N -1.476 118.443 119.914 0.007 0.000 3.289 1320 V HA 0.043 4.162 4.120 -0.000 0.000 0.262 1320 V C 1.233 177.310 176.094 -0.029 0.000 1.707 1320 V CA 0.305 62.597 62.300 -0.014 0.000 1.024 1320 V CB 0.330 32.133 31.823 -0.033 0.000 0.871 1320 V HN 0.654 nan 8.190 nan 0.000 0.397 1321 E N 2.236 122.427 120.200 -0.016 0.000 2.914 1321 E HA -0.394 3.956 4.350 -0.000 0.000 0.218 1321 E C 0.755 177.331 176.600 -0.039 0.000 0.897 1321 E CA 2.959 59.349 56.400 -0.017 0.000 1.465 1321 E CB -0.321 29.381 29.700 0.003 0.000 1.468 1321 E HN 1.070 nan 8.360 nan 0.000 0.462 1322 A N -1.156 121.643 122.820 -0.036 0.000 2.100 1322 A HA 0.464 4.784 4.320 -0.000 0.000 0.249 1322 A C 0.656 178.209 177.584 -0.052 0.000 1.447 1322 A CA 0.575 52.577 52.037 -0.059 0.000 1.397 1322 A CB -0.277 18.696 19.000 -0.045 0.000 1.118 1322 A HN 0.900 nan 8.150 nan 0.000 0.764 1323 G N 0.827 109.582 108.800 -0.075 0.000 3.366 1323 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.396 1323 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.396 1323 G C 0.900 175.807 174.900 0.011 0.000 2.116 1323 G CA 2.343 47.391 45.100 -0.087 0.000 2.396 1323 G HN 1.577 nan 8.290 nan 0.000 0.931 1324 Q N -2.227 117.566 119.800 -0.012 0.000 4.431 1324 Q HA -0.023 4.317 4.340 -0.000 0.000 0.223 1324 Q C -1.520 174.482 176.000 0.004 0.000 0.873 1324 Q CA 0.777 56.592 55.803 0.020 0.000 0.692 1324 Q CB -0.935 27.842 28.738 0.066 0.000 0.810 1324 Q HN 0.583 nan 8.270 nan 0.000 0.682 1325 P HA 0.119 nan 4.420 nan 0.000 0.219 1325 P C 0.870 178.162 177.300 -0.014 0.000 1.154 1325 P CA 1.894 64.981 63.100 -0.021 0.000 0.826 1325 P CB 0.145 31.818 31.700 -0.045 0.000 0.795 1326 L N -2.007 119.205 121.223 -0.019 0.000 3.512 1326 L HA -0.145 4.195 4.340 -0.000 0.000 0.446 1326 L C 1.271 178.136 176.870 -0.008 0.000 1.290 1326 L CA 1.603 56.437 54.840 -0.010 0.000 0.871 1326 L CB -3.375 38.684 42.059 -0.000 0.000 1.767 1326 L HN 0.385 nan 8.230 nan 0.000 0.855 1327 T N -2.365 112.180 114.554 -0.015 0.000 3.107 1327 T HA 0.371 4.720 4.350 -0.000 0.000 0.249 1327 T C 1.561 176.261 174.700 0.000 0.000 1.096 1327 T CA 1.418 63.512 62.100 -0.009 0.000 1.012 1327 T CB -0.120 68.739 68.868 -0.016 0.000 0.977 1327 T HN 1.991 nan 8.240 nan 0.000 0.527 1328 R N -0.528 119.972 120.500 0.001 0.000 3.793 1328 R HA -0.166 4.173 4.340 -0.000 0.000 0.318 1328 R C 1.168 177.492 176.300 0.041 0.000 0.729 1328 R CA 1.462 57.575 56.100 0.021 0.000 1.731 1328 R CB -2.104 28.213 30.300 0.029 0.000 1.879 1328 R HN 0.566 nan 8.270 nan 0.000 0.498 1329 G N 0.619 109.436 108.800 0.028 0.000 2.624 1329 G HA2 0.366 4.326 3.960 -0.000 0.000 0.292 1329 G HA3 0.366 4.326 3.960 -0.000 0.000 0.292 1329 G C 0.414 175.325 174.900 0.018 0.000 0.777 1329 G CA 0.350 45.475 45.100 0.042 0.000 1.883 1329 G HN 0.731 nan 8.290 nan 0.000 0.505 1330 A N 2.578 125.413 122.820 0.026 0.000 2.802 1330 A HA 0.283 4.603 4.320 -0.000 0.000 0.291 1330 A C 1.697 179.232 177.584 -0.082 0.000 1.609 1330 A CA 0.513 52.475 52.037 -0.125 0.000 1.132 1330 A CB -1.454 17.296 19.000 -0.418 0.000 0.930 1330 A HN 2.233 nan 8.150 nan 0.000 0.583 1331 I N 0.604 121.127 120.570 -0.079 0.000 2.873 1331 I HA 0.209 4.379 4.170 -0.000 0.000 0.148 1331 I C 1.062 177.156 176.117 -0.039 0.000 0.903 1331 I CA 2.146 63.406 61.300 -0.066 0.000 2.731 1331 I CB -2.205 35.732 38.000 -0.104 0.000 0.707 1331 I HN 2.427 nan 8.210 nan 0.000 0.413 1332 D N 3.100 123.500 120.400 0.001 0.000 4.044 1332 D HA 0.029 4.669 4.640 -0.000 0.000 0.242 1332 D C -1.214 175.119 176.300 0.056 0.000 1.076 1332 D CA 0.101 54.129 54.000 0.047 0.000 1.171 1332 D CB -1.921 38.904 40.800 0.042 0.000 0.866 1332 D HN 0.942 nan 8.370 nan 0.000 0.413 1333 P HA 0.034 nan 4.420 nan 0.000 0.297 1333 P C 0.409 177.724 177.300 0.025 0.000 1.544 1333 P CA 0.665 63.787 63.100 0.036 0.000 0.798 1333 P CB -0.044 31.786 31.700 0.216 0.000 1.757 1334 H N -1.029 118.040 119.070 -0.002 0.000 3.091 1334 H HA 0.178 4.734 4.556 -0.000 0.000 0.249 1334 H C 1.471 176.791 175.328 -0.013 0.000 0.985 1334 H CA 0.505 56.558 56.048 0.008 0.000 1.177 1334 H CB 0.707 30.476 29.762 0.012 0.000 1.456 1334 H HN 0.188 nan 8.280 nan 0.000 0.467 1335 Q N 0.719 120.574 119.800 0.091 0.000 1.994 1335 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 1335 Q C 2.268 178.259 176.000 -0.015 0.000 0.976 1335 Q CA 1.153 56.972 55.803 0.027 0.000 0.828 1335 Q CB -0.003 28.721 28.738 -0.023 0.000 0.894 1335 Q HN 0.260 nan 8.270 nan 0.000 0.432 1336 L N 1.321 122.504 121.223 -0.066 0.000 2.283 1336 L HA -0.234 4.106 4.340 -0.000 0.000 0.217 1336 L C 2.134 178.970 176.870 -0.058 0.000 1.104 1336 L CA 0.768 55.550 54.840 -0.098 0.000 0.772 1336 L CB -0.180 41.760 42.059 -0.199 0.000 0.899 1336 L HN 0.239 nan 8.230 nan 0.000 0.439 1337 L N 0.058 121.259 121.223 -0.036 0.000 1.988 1337 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 1337 L C 2.401 179.272 176.870 0.003 0.000 1.071 1337 L CA 2.235 57.063 54.840 -0.020 0.000 0.744 1337 L CB -0.893 41.143 42.059 -0.039 0.000 0.893 1337 L HN 0.325 nan 8.230 nan 0.000 0.433 1338 E N 0.515 120.729 120.200 0.022 0.000 2.038 1338 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 1338 E C 1.675 178.277 176.600 0.004 0.000 1.000 1338 E CA 1.593 58.006 56.400 0.022 0.000 0.803 1338 E CB -0.564 29.155 29.700 0.032 0.000 0.750 1338 E HN 0.541 nan 8.360 nan 0.000 0.448 1339 A N -0.578 122.238 122.820 -0.007 0.000 2.281 1339 A HA 0.167 4.487 4.320 -0.000 0.000 0.231 1339 A C 0.762 178.336 177.584 -0.017 0.000 1.317 1339 A CA 0.854 52.882 52.037 -0.014 0.000 0.959 1339 A CB -0.382 18.602 19.000 -0.025 0.000 0.900 1339 A HN 0.128 nan 8.150 nan 0.000 0.497 1340 K N -1.645 118.748 120.400 -0.012 0.000 3.178 1340 K HA 0.173 4.493 4.320 -0.000 0.000 0.100 1340 K C 0.271 176.869 176.600 -0.003 0.000 0.961 1340 K CA 0.872 57.153 56.287 -0.010 0.000 0.993 1340 K CB -1.325 31.161 32.500 -0.023 0.000 0.762 1340 K HN 1.512 nan 8.250 nan 0.000 0.333 1341 G N 1.523 110.324 108.800 0.002 0.000 2.992 1341 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.340 1341 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.340 1341 G C -1.273 173.637 174.900 0.017 0.000 1.539 1341 G CA -0.205 44.901 45.100 0.010 0.000 0.997 1341 G HN 0.087 nan 8.290 nan 0.000 0.561 1342 P HA -0.054 nan 4.420 nan 0.000 0.221 1342 P C 1.316 178.639 177.300 0.038 0.000 1.150 1342 P CA 1.649 64.771 63.100 0.036 0.000 0.800 1342 P CB 0.120 31.854 31.700 0.057 0.000 0.787 1343 E N 0.743 120.964 120.200 0.035 0.000 2.132 1343 E HA -0.247 4.103 4.350 -0.000 0.000 0.218 1343 E C 2.152 178.774 176.600 0.036 0.000 1.058 1343 E CA 2.497 58.918 56.400 0.034 0.000 0.882 1343 E CB -1.137 28.578 29.700 0.025 0.000 0.774 1343 E HN 0.278 nan 8.360 nan 0.000 0.467 1344 A N 0.115 122.953 122.820 0.030 0.000 1.861 1344 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 1344 A C 2.252 179.873 177.584 0.062 0.000 1.322 1344 A CA 1.281 53.340 52.037 0.038 0.000 0.601 1344 A CB -1.086 17.922 19.000 0.015 0.000 0.966 1344 A HN 0.092 nan 8.150 nan 0.000 0.471 1345 V N 0.102 120.050 119.914 0.057 0.000 2.408 1345 V HA -0.521 3.598 4.120 -0.000 0.000 0.232 1345 V C 2.312 178.470 176.094 0.106 0.000 1.032 1345 V CA 3.057 65.410 62.300 0.088 0.000 1.099 1345 V CB -1.644 30.198 31.823 0.032 0.000 0.912 1345 V HN 0.754 nan 8.190 nan 0.000 0.483 1346 E N -1.012 119.226 120.200 0.064 0.000 2.082 1346 E HA -0.365 3.985 4.350 -0.000 0.000 0.215 1346 E C 2.287 178.909 176.600 0.037 0.000 1.048 1346 E CA 2.137 58.567 56.400 0.049 0.000 0.869 1346 E CB -0.291 29.439 29.700 0.049 0.000 0.773 1346 E HN 0.401 nan 8.360 nan 0.000 0.466 1347 R N -0.028 120.502 120.500 0.050 0.000 2.170 1347 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 1347 R C 2.029 178.351 176.300 0.037 0.000 1.145 1347 R CA 1.217 57.340 56.100 0.037 0.000 0.984 1347 R CB -0.677 29.656 30.300 0.054 0.000 0.869 1347 R HN 0.336 nan 8.270 nan 0.000 0.455 1348 Y N -0.613 119.663 120.300 -0.040 0.000 2.439 1348 Y HA -0.073 4.476 4.550 -0.000 0.000 0.292 1348 Y C 1.227 177.077 175.900 -0.082 0.000 1.130 1348 Y CA 0.964 59.031 58.100 -0.055 0.000 1.254 1348 Y CB 0.203 38.633 38.460 -0.049 0.000 1.000 1348 Y HN -0.040 nan 8.280 nan 0.000 0.554 1349 L N -1.683 119.404 121.223 -0.226 0.000 2.116 1349 L HA -0.052 4.288 4.340 -0.000 0.000 0.200 1349 L C 2.504 179.182 176.870 -0.320 0.000 1.084 1349 L CA 0.943 55.594 54.840 -0.315 0.000 0.766 1349 L CB -1.687 40.289 42.059 -0.138 0.000 0.930 1349 L HN 0.002 nan 8.230 nan 0.000 0.453 1350 V N 0.647 120.442 119.914 -0.197 0.000 2.439 1350 V HA -0.322 3.797 4.120 -0.000 0.000 0.253 1350 V C 2.253 178.152 176.094 -0.325 0.000 1.074 1350 V CA 1.814 63.988 62.300 -0.209 0.000 1.076 1350 V CB -0.364 31.395 31.823 -0.106 0.000 0.664 1350 V HN 0.442 nan 8.190 nan 0.000 0.461 1351 D N -0.937 119.288 120.400 -0.291 0.000 2.255 1351 D HA -0.090 4.550 4.640 -0.000 0.000 0.224 1351 D C 2.129 178.231 176.300 -0.330 0.000 0.997 1351 D CA 0.936 54.768 54.000 -0.279 0.000 0.906 1351 D CB -0.264 40.435 40.800 -0.169 0.000 1.047 1351 D HN 0.311 nan 8.370 nan 0.000 0.458 1352 E N 1.093 121.029 120.200 -0.439 0.000 2.208 1352 E HA -0.185 4.165 4.350 -0.000 0.000 0.202 1352 E C 2.067 178.413 176.600 -0.423 0.000 1.014 1352 E CA 0.767 56.867 56.400 -0.501 0.000 0.819 1352 E CB -0.374 28.744 29.700 -0.969 0.000 0.735 1352 E HN 0.330 nan 8.360 nan 0.000 0.469 1353 I N -0.206 120.082 120.570 -0.471 0.000 2.087 1353 I HA -0.337 3.833 4.170 -0.000 0.000 0.231 1353 I C 2.396 178.232 176.117 -0.467 0.000 1.058 1353 I CA 1.220 62.200 61.300 -0.534 0.000 1.328 1353 I CB -0.544 37.067 38.000 -0.649 0.000 1.079 1353 I HN 0.170 nan 8.210 nan 0.000 0.397 1354 Q N 1.162 120.712 119.800 -0.416 0.000 2.062 1354 Q HA -0.368 3.972 4.340 -0.000 0.000 0.216 1354 Q C 1.959 177.852 176.000 -0.178 0.000 1.052 1354 Q CA 2.202 57.841 55.803 -0.274 0.000 0.910 1354 Q CB -0.972 27.636 28.738 -0.217 0.000 1.043 1354 Q HN 0.460 nan 8.270 nan 0.000 0.425 1355 K N -0.522 119.782 120.400 -0.160 0.000 2.209 1355 K HA -0.287 4.033 4.320 -0.000 0.000 0.220 1355 K C 2.125 178.689 176.600 -0.060 0.000 1.002 1355 K CA 2.583 58.811 56.287 -0.098 0.000 0.947 1355 K CB -0.796 31.634 32.500 -0.116 0.000 0.891 1355 K HN 0.126 nan 8.250 nan 0.000 0.476 1356 V N 0.350 120.204 119.914 -0.100 0.000 2.220 1356 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 1356 V C 2.151 178.316 176.094 0.119 0.000 1.049 1356 V CA 2.036 64.322 62.300 -0.023 0.000 1.003 1356 V CB -0.811 30.967 31.823 -0.074 0.000 0.634 1356 V HN 0.334 nan 8.190 nan 0.000 0.444 1357 Y N 0.016 120.289 120.300 -0.045 0.000 2.070 1357 Y HA -0.324 4.226 4.550 -0.000 0.000 0.280 1357 Y C 2.944 178.837 175.900 -0.012 0.000 1.148 1357 Y CA 1.676 59.765 58.100 -0.018 0.000 1.125 1357 Y CB -0.341 38.116 38.460 -0.005 0.000 0.975 1357 Y HN 0.106 nan 8.280 nan 0.000 0.492 1358 R N 0.810 121.407 120.500 0.162 0.000 2.140 1358 R HA -0.248 4.092 4.340 -0.000 0.000 0.250 1358 R C 2.038 178.372 176.300 0.056 0.000 1.150 1358 R CA 1.702 57.854 56.100 0.086 0.000 0.966 1358 R CB -0.447 29.875 30.300 0.036 0.000 0.869 1358 R HN 0.305 nan 8.270 nan 0.000 0.445 1359 A N -0.665 122.181 122.820 0.043 0.000 2.238 1359 A HA 0.003 4.323 4.320 -0.000 0.000 0.208 1359 A C 1.174 178.776 177.584 0.030 0.000 1.177 1359 A CA 0.483 52.536 52.037 0.027 0.000 0.804 1359 A CB 0.166 19.174 19.000 0.013 0.000 0.823 1359 A HN 0.482 nan 8.150 nan 0.000 0.482 1360 Q N -2.205 117.621 119.800 0.044 0.000 2.118 1360 Q HA 0.328 4.667 4.340 -0.000 0.000 0.219 1360 Q C 1.026 177.038 176.000 0.019 0.000 0.794 1360 Q CA 0.391 56.212 55.803 0.030 0.000 1.035 1360 Q CB 0.921 29.681 28.738 0.036 0.000 1.177 1360 Q HN 0.716 nan 8.270 nan 0.000 0.478 1361 G N 0.153 108.969 108.800 0.026 0.000 2.659 1361 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.202 1361 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.202 1361 G C 0.102 175.015 174.900 0.021 0.000 1.186 1361 G CA -0.214 44.896 45.100 0.016 0.000 0.783 1361 G HN 0.139 nan 8.290 nan 0.000 0.521 1362 V N 2.587 122.506 119.914 0.007 0.000 2.644 1362 V HA 0.202 4.322 4.120 -0.000 0.000 0.303 1362 V C 0.543 176.678 176.094 0.067 0.000 1.058 1362 V CA 1.261 63.557 62.300 -0.008 0.000 1.228 1362 V CB 0.492 32.245 31.823 -0.117 0.000 0.861 1362 V HN 0.467 nan 8.190 nan 0.000 0.484 1363 K N 6.096 126.533 120.400 0.063 0.000 2.450 1363 K HA 0.581 4.901 4.320 -0.000 0.000 0.257 1363 K C 0.385 177.059 176.600 0.124 0.000 0.953 1363 K CA -0.548 55.801 56.287 0.102 0.000 0.844 1363 K CB 1.550 34.097 32.500 0.079 0.000 1.103 1363 K HN 0.677 nan 8.250 nan 0.000 0.429 1364 L N -1.044 120.294 121.223 0.191 0.000 2.511 1364 L HA 0.324 4.664 4.340 -0.000 0.000 0.173 1364 L C 1.179 178.226 176.870 0.295 0.000 1.160 1364 L CA -0.259 54.718 54.840 0.227 0.000 0.964 1364 L CB -0.451 41.754 42.059 0.242 0.000 1.892 1364 L HN 0.623 nan 8.230 nan 0.000 0.497 1365 H N 2.543 121.726 119.070 0.188 0.000 1.561 1365 H HA -0.305 4.251 4.556 -0.000 0.000 0.216 1365 H C -0.155 175.233 175.328 0.099 0.000 2.753 1365 H CA 1.701 57.831 56.048 0.136 0.000 1.717 1365 H CB -0.884 28.924 29.762 0.075 0.000 2.056 1365 H HN 0.790 nan 8.280 nan 0.000 0.861 1366 D N 0.925 120.985 120.400 -0.567 0.000 3.908 1366 D HA -0.172 4.468 4.640 -0.000 0.000 0.237 1366 D C -0.062 176.102 176.300 -0.226 0.000 1.091 1366 D CA 1.855 55.554 54.000 -0.502 0.000 1.147 1366 D CB -0.658 39.930 40.800 -0.354 0.000 0.857 1366 D HN 0.866 nan 8.370 nan 0.000 0.410 1367 K N 0.024 120.384 120.400 -0.067 0.000 1.998 1367 K HA -0.324 3.996 4.320 -0.000 0.000 0.577 1367 K C 1.047 177.726 176.600 0.131 0.000 1.903 1367 K CA 0.397 56.663 56.287 -0.036 0.000 0.849 1367 K CB -1.087 31.244 32.500 -0.282 0.000 1.495 1367 K HN 0.589 nan 8.250 nan 0.000 0.580 1368 H N -1.471 117.755 119.070 0.260 0.000 1.544 1368 H HA -0.272 4.284 4.556 -0.000 0.000 0.090 1368 H C 1.736 177.186 175.328 0.203 0.000 0.587 1368 H CA 2.456 58.646 56.048 0.236 0.000 1.892 1368 H CB -1.685 28.210 29.762 0.223 0.000 2.244 1368 H HN 0.547 nan 8.280 nan 0.000 0.960 1369 I N 1.778 122.566 120.570 0.363 0.000 2.194 1369 I HA -0.261 3.909 4.170 -0.000 0.000 0.246 1369 I C 2.457 178.699 176.117 0.210 0.000 1.093 1369 I CA 2.000 63.463 61.300 0.271 0.000 1.355 1369 I CB -0.525 37.563 38.000 0.146 0.000 1.046 1369 I HN 0.434 nan 8.210 nan 0.000 0.413 1370 E N 1.212 121.524 120.200 0.187 0.000 2.049 1370 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 1370 E C 2.327 179.013 176.600 0.143 0.000 1.007 1370 E CA 1.468 57.955 56.400 0.144 0.000 0.809 1370 E CB -0.227 29.553 29.700 0.134 0.000 0.749 1370 E HN 0.473 nan 8.360 nan 0.000 0.450 1371 I N 1.239 121.908 120.570 0.166 0.000 2.151 1371 I HA -0.251 3.918 4.170 -0.000 0.000 0.243 1371 I C 2.600 178.785 176.117 0.114 0.000 1.080 1371 I CA 1.209 62.589 61.300 0.134 0.000 1.339 1371 I CB -1.148 36.935 38.000 0.137 0.000 1.039 1371 I HN -0.004 nan 8.210 nan 0.000 0.409 1372 V N 0.515 120.511 119.914 0.137 0.000 2.244 1372 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 1372 V C 2.665 178.842 176.094 0.138 0.000 1.042 1372 V CA 1.282 63.650 62.300 0.113 0.000 1.006 1372 V CB -0.477 31.407 31.823 0.101 0.000 0.641 1372 V HN 0.175 nan 8.190 nan 0.000 0.446 1373 V N 0.025 120.043 119.914 0.173 0.000 2.363 1373 V HA -0.372 3.748 4.120 -0.000 0.000 0.254 1373 V C 2.624 178.784 176.094 0.110 0.000 1.074 1373 V CA 2.632 65.018 62.300 0.143 0.000 1.069 1373 V CB -0.718 31.166 31.823 0.103 0.000 0.659 1373 V HN 0.501 nan 8.190 nan 0.000 0.455 1374 R N -0.520 120.040 120.500 0.099 0.000 2.096 1374 R HA -0.217 4.123 4.340 -0.000 0.000 0.229 1374 R C 2.437 178.789 176.300 0.087 0.000 1.134 1374 R CA 2.058 58.206 56.100 0.081 0.000 0.917 1374 R CB -0.400 29.943 30.300 0.071 0.000 0.832 1374 R HN 0.483 nan 8.270 nan 0.000 0.430 1375 Q N 0.150 120.004 119.800 0.091 0.000 2.268 1375 Q HA -0.273 4.067 4.340 -0.000 0.000 0.213 1375 Q C 2.067 178.169 176.000 0.170 0.000 0.995 1375 Q CA 2.130 58.001 55.803 0.113 0.000 0.901 1375 Q CB -0.440 28.355 28.738 0.095 0.000 0.921 1375 Q HN 0.555 nan 8.270 nan 0.000 0.421 1376 M N -0.508 119.180 119.600 0.146 0.000 2.067 1376 M HA -0.112 4.368 4.480 -0.000 0.000 0.260 1376 M C 0.507 176.910 176.300 0.173 0.000 1.069 1376 M CA 0.857 56.249 55.300 0.153 0.000 1.117 1376 M CB -0.135 32.540 32.600 0.125 0.000 1.334 1376 M HN 0.033 nan 8.290 nan 0.000 0.407 1377 L N 1.792 123.092 121.223 0.129 0.000 2.466 1377 L HA 0.160 4.500 4.340 -0.000 0.000 0.248 1377 L C 1.005 177.928 176.870 0.088 0.000 1.240 1377 L CA 0.748 55.658 54.840 0.116 0.000 1.180 1377 L CB -0.779 41.330 42.059 0.082 0.000 1.413 1377 L HN 0.354 nan 8.230 nan 0.000 0.406 1378 K N 0.616 121.081 120.400 0.107 0.000 2.511 1378 K HA 0.106 4.426 4.320 -0.000 0.000 0.209 1378 K C -0.357 176.031 176.600 -0.352 0.000 1.301 1378 K CA -0.042 56.159 56.287 -0.143 0.000 0.967 1378 K CB 0.744 33.091 32.500 -0.256 0.000 1.109 1378 K HN 0.127 nan 8.250 nan 0.000 0.561 1379 Y N 1.186 121.509 120.300 0.039 0.000 2.387 1379 Y HA 0.375 4.925 4.550 -0.000 0.000 0.330 1379 Y C 0.146 176.077 175.900 0.051 0.000 1.133 1379 Y CA -1.187 56.936 58.100 0.038 0.000 1.152 1379 Y CB 1.663 40.150 38.460 0.045 0.000 1.215 1379 Y HN -0.157 nan 8.280 nan 0.000 0.466 1380 V N -1.200 118.806 119.914 0.155 0.000 3.001 1380 V HA 0.637 4.756 4.120 -0.000 0.000 0.314 1380 V C -0.844 175.361 176.094 0.184 0.000 1.099 1380 V CA -1.192 61.205 62.300 0.161 0.000 0.989 1380 V CB 2.085 33.920 31.823 0.019 0.000 1.040 1380 V HN 0.815 nan 8.190 nan 0.000 0.434 1381 E N 1.205 121.533 120.200 0.213 0.000 2.171 1381 E HA 0.635 4.985 4.350 -0.000 0.000 0.271 1381 E C -0.775 175.940 176.600 0.192 0.000 0.916 1381 E CA -0.696 55.806 56.400 0.171 0.000 0.774 1381 E CB 2.196 31.979 29.700 0.138 0.000 1.128 1381 E HN 0.737 nan 8.360 nan 0.000 0.403 1382 V N 2.098 122.105 119.914 0.155 0.000 3.385 1382 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 1382 V C 0.127 176.287 176.094 0.109 0.000 1.082 1382 V CA -0.343 62.048 62.300 0.152 0.000 1.085 1382 V CB 1.334 33.226 31.823 0.116 0.000 1.152 1382 V HN 0.913 nan 8.190 nan 0.000 0.465 1383 T N -0.389 114.220 114.554 0.091 0.000 3.842 1383 T HA 0.359 4.708 4.350 -0.000 0.000 0.336 1383 T C -0.745 173.979 174.700 0.040 0.000 0.900 1383 T CA -0.314 61.817 62.100 0.051 0.000 1.022 1383 T CB 0.691 69.575 68.868 0.027 0.000 1.068 1383 T HN 0.967 nan 8.240 nan 0.000 0.464 1384 D N 2.942 123.362 120.400 0.033 0.000 3.241 1384 D HA -0.094 4.546 4.640 -0.000 0.000 0.248 1384 D C -1.935 174.384 176.300 0.031 0.000 1.093 1384 D CA -0.026 53.989 54.000 0.025 0.000 0.940 1384 D CB 0.081 40.889 40.800 0.015 0.000 0.980 1384 D HN 0.506 nan 8.370 nan 0.000 0.421 1385 P HA 0.416 nan 4.420 nan 0.000 0.271 1385 P C 0.257 177.570 177.300 0.022 0.000 1.238 1385 P CA 0.200 63.320 63.100 0.034 0.000 0.794 1385 P CB 0.800 32.523 31.700 0.038 0.000 0.959 1386 G N -0.356 108.452 108.800 0.013 0.000 2.768 1386 G HA2 0.369 4.329 3.960 -0.000 0.000 0.297 1386 G HA3 0.369 4.329 3.960 -0.000 0.000 0.297 1386 G C -0.610 174.285 174.900 -0.009 0.000 1.430 1386 G CA -0.528 44.575 45.100 0.004 0.000 1.030 1386 G HN 0.479 nan 8.290 nan 0.000 0.553 1387 D N -0.799 119.600 120.400 -0.002 0.000 3.006 1387 D HA -0.177 4.463 4.640 -0.000 0.000 0.208 1387 D C 0.399 176.702 176.300 0.005 0.000 1.116 1387 D CA 2.121 56.117 54.000 -0.005 0.000 0.998 1387 D CB -1.025 39.756 40.800 -0.031 0.000 1.124 1387 D HN 0.629 nan 8.370 nan 0.000 0.413 1388 S N -0.144 115.564 115.700 0.014 0.000 2.584 1388 S HA 0.363 4.833 4.470 -0.000 0.000 0.280 1388 S C -2.260 172.367 174.600 0.045 0.000 1.162 1388 S CA -1.017 57.206 58.200 0.039 0.000 0.951 1388 S CB 3.414 66.632 63.200 0.031 0.000 1.108 1388 S HN -0.104 nan 8.310 nan 0.000 0.464 1389 P HA 0.394 nan 4.420 nan 0.000 0.291 1389 P C -0.496 176.837 177.300 0.056 0.000 1.287 1389 P CA -0.254 62.877 63.100 0.051 0.000 0.767 1389 P CB 0.108 31.838 31.700 0.051 0.000 1.290 1390 L N -3.973 117.280 121.223 0.051 0.000 0.584 1390 L HA -0.221 4.118 4.340 -0.000 0.000 0.356 1390 L C 0.876 177.778 176.870 0.053 0.000 1.004 1390 L CA -0.311 54.561 54.840 0.053 0.000 1.223 1390 L CB -1.307 40.793 42.059 0.068 0.000 0.012 1390 L HN 0.346 nan 8.230 nan 0.000 0.091 1391 L N 0.358 121.611 121.223 0.050 0.000 2.609 1391 L HA 0.377 4.716 4.340 -0.000 0.000 0.230 1391 L C 0.464 177.371 176.870 0.062 0.000 1.064 1391 L CA 1.504 56.374 54.840 0.050 0.000 0.873 1391 L CB 0.425 42.507 42.059 0.039 0.000 1.139 1391 L HN 0.574 nan 8.230 nan 0.000 0.490 1392 E N -0.941 119.297 120.200 0.063 0.000 2.267 1392 E HA 0.508 4.858 4.350 -0.000 0.000 0.248 1392 E C 0.582 177.230 176.600 0.081 0.000 0.899 1392 E CA 0.272 56.715 56.400 0.073 0.000 0.764 1392 E CB 1.245 30.979 29.700 0.058 0.000 1.227 1392 E HN 0.121 nan 8.360 nan 0.000 0.421 1393 G N 1.707 110.569 108.800 0.102 0.000 2.796 1393 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.210 1393 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.210 1393 G C 0.505 175.481 174.900 0.127 0.000 1.146 1393 G CA -0.092 45.077 45.100 0.114 0.000 0.779 1393 G HN 0.589 nan 8.290 nan 0.000 0.535 1394 Q N 0.036 119.916 119.800 0.133 0.000 2.447 1394 Q HA -0.169 4.171 4.340 -0.000 0.000 0.348 1394 Q C -0.886 175.242 176.000 0.214 0.000 1.421 1394 Q CA -0.263 55.635 55.803 0.159 0.000 0.978 1394 Q CB -1.214 27.581 28.738 0.096 0.000 1.191 1394 Q HN 0.257 nan 8.270 nan 0.000 0.371 1395 V N 0.182 120.220 119.914 0.206 0.000 2.769 1395 V HA 0.744 4.863 4.120 -0.000 0.000 0.312 1395 V C 0.914 177.075 176.094 0.111 0.000 1.058 1395 V CA -0.152 62.273 62.300 0.208 0.000 0.952 1395 V CB 1.570 33.533 31.823 0.232 0.000 1.019 1395 V HN 0.433 nan 8.190 nan 0.000 0.445 1396 L N 2.292 123.558 121.223 0.071 0.000 2.600 1396 L HA 0.279 4.619 4.340 -0.000 0.000 0.278 1396 L C 1.574 178.372 176.870 -0.119 0.000 1.139 1396 L CA 0.364 55.122 54.840 -0.137 0.000 0.933 1396 L CB -0.763 41.277 42.059 -0.032 0.000 1.266 1396 L HN 1.017 nan 8.230 nan 0.000 0.471 1397 E N 2.063 122.112 120.200 -0.251 0.000 2.208 1397 E HA -0.326 4.023 4.350 -0.000 0.000 0.202 1397 E C 1.960 178.348 176.600 -0.353 0.000 1.014 1397 E CA 2.060 58.229 56.400 -0.386 0.000 0.819 1397 E CB 0.289 29.751 29.700 -0.397 0.000 0.735 1397 E HN 0.854 nan 8.360 nan 0.000 0.469 1398 K N 0.275 120.520 120.400 -0.258 0.000 2.026 1398 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 1398 K C 1.634 178.133 176.600 -0.169 0.000 1.048 1398 K CA 1.706 57.839 56.287 -0.257 0.000 0.929 1398 K CB -1.151 31.118 32.500 -0.385 0.000 0.713 1398 K HN 0.251 nan 8.250 nan 0.000 0.439 1399 W N 1.587 122.717 121.300 -0.283 0.000 2.848 1399 W HA 0.014 4.673 4.660 -0.000 0.000 0.241 1399 W C 0.812 177.215 176.519 -0.192 0.000 1.289 1399 W CA 1.148 58.377 57.345 -0.195 0.000 1.396 1399 W CB -0.282 29.108 29.460 -0.117 0.000 1.138 1399 W HN 0.359 nan 8.180 nan 0.000 0.677 1400 D N -1.536 118.688 120.400 -0.292 0.000 2.414 1400 D HA -0.124 4.516 4.640 -0.000 0.000 0.237 1400 D C 2.002 178.043 176.300 -0.431 0.000 0.975 1400 D CA 1.247 54.977 54.000 -0.450 0.000 0.917 1400 D CB -0.046 40.377 40.800 -0.628 0.000 1.061 1400 D HN -0.119 nan 8.370 nan 0.000 0.480 1401 V N 1.440 121.095 119.914 -0.433 0.000 3.140 1401 V HA -0.125 3.995 4.120 -0.000 0.000 0.269 1401 V C 1.757 177.756 176.094 -0.157 0.000 1.149 1401 V CA 1.261 63.409 62.300 -0.254 0.000 1.162 1401 V CB -0.557 31.152 31.823 -0.190 0.000 0.756 1401 V HN 0.246 nan 8.190 nan 0.000 0.523 1402 E N 0.545 120.616 120.200 -0.215 0.000 2.190 1402 E HA 0.108 4.457 4.350 -0.000 0.000 0.191 1402 E C 2.283 178.770 176.600 -0.188 0.000 0.978 1402 E CA 1.051 57.343 56.400 -0.179 0.000 0.839 1402 E CB -0.311 29.273 29.700 -0.194 0.000 0.787 1402 E HN 0.546 nan 8.360 nan 0.000 0.473 1403 A N 0.806 123.467 122.820 -0.266 0.000 2.259 1403 A HA -0.043 4.277 4.320 -0.000 0.000 0.212 1403 A C 1.623 179.146 177.584 -0.101 0.000 1.178 1403 A CA 0.674 52.578 52.037 -0.221 0.000 0.734 1403 A CB -0.474 18.362 19.000 -0.273 0.000 0.774 1403 A HN 0.145 nan 8.150 nan 0.000 0.481 1404 L N -1.787 119.395 121.223 -0.068 0.000 3.122 1404 L HA 0.287 4.627 4.340 -0.000 0.000 0.274 1404 L C 1.159 178.021 176.870 -0.013 0.000 1.222 1404 L CA 0.034 54.869 54.840 -0.008 0.000 1.028 1404 L CB 0.107 42.202 42.059 0.060 0.000 1.386 1404 L HN 0.409 nan 8.230 nan 0.000 0.578 1405 N N -0.148 118.530 118.700 -0.036 0.000 2.919 1405 N HA -0.075 4.665 4.740 -0.000 0.000 0.263 1405 N C 1.294 176.787 175.510 -0.028 0.000 0.913 1405 N CA 0.163 53.198 53.050 -0.026 0.000 1.085 1405 N CB 0.369 38.840 38.487 -0.028 0.000 1.553 1405 N HN 0.135 nan 8.380 nan 0.000 0.932 1406 E N -0.414 119.762 120.200 -0.041 0.000 2.478 1406 E HA 0.000 4.350 4.350 -0.000 0.000 0.198 1406 E C 0.667 177.248 176.600 -0.033 0.000 1.046 1406 E CA 0.611 56.992 56.400 -0.032 0.000 0.870 1406 E CB 0.261 29.941 29.700 -0.035 0.000 0.818 1406 E HN 0.093 nan 8.360 nan 0.000 0.527 1407 R N -0.333 120.142 120.500 -0.042 0.000 2.531 1407 R HA 0.086 4.426 4.340 -0.000 0.000 0.316 1407 R C 1.412 177.698 176.300 -0.023 0.000 0.955 1407 R CA -0.070 56.008 56.100 -0.037 0.000 1.120 1407 R CB 0.083 30.348 30.300 -0.058 0.000 1.361 1407 R HN 0.172 nan 8.270 nan 0.000 0.534 1408 L N 1.257 122.469 121.223 -0.018 0.000 2.552 1408 L HA 0.098 4.438 4.340 -0.000 0.000 0.227 1408 L C 1.172 178.038 176.870 -0.006 0.000 1.146 1408 L CA 1.041 55.876 54.840 -0.008 0.000 0.858 1408 L CB -0.098 41.959 42.059 -0.004 0.000 0.969 1408 L HN -0.049 nan 8.230 nan 0.000 0.451 1409 I N 0.248 120.814 120.570 -0.007 0.000 3.387 1409 I HA 0.001 4.171 4.170 -0.000 0.000 0.298 1409 I C 1.033 177.148 176.117 -0.003 0.000 1.311 1409 I CA 0.614 61.912 61.300 -0.004 0.000 1.318 1409 I CB -2.483 35.515 38.000 -0.004 0.000 1.023 1409 I HN 0.334 nan 8.210 nan 0.000 0.540 1415 P HA 0.072 nan 4.420 nan 0.000 0.252 1415 P C 0.358 177.674 177.300 0.026 0.000 1.183 1415 P CA 0.433 63.540 63.100 0.011 0.000 0.973 1415 P CB 0.390 32.089 31.700 -0.002 0.000 0.990 1416 V N 3.455 123.398 119.914 0.048 0.000 1.984 1416 V HA 0.173 4.293 4.120 -0.000 0.000 0.272 1416 V C 1.270 177.472 176.094 0.181 0.000 1.706 1416 V CA -0.286 62.060 62.300 0.077 0.000 1.644 1416 V CB -1.394 30.450 31.823 0.036 0.000 1.509 1416 V HN 0.556 nan 8.190 nan 0.000 0.511 1417 A N 2.933 125.818 122.820 0.109 0.000 2.364 1417 A HA 0.557 4.877 4.320 -0.000 0.000 0.258 1417 A C -0.144 177.583 177.584 0.238 0.000 1.131 1417 A CA 0.309 52.381 52.037 0.058 0.000 0.800 1417 A CB 0.356 19.317 19.000 -0.065 0.000 1.086 1417 A HN 1.096 nan 8.150 nan 0.000 0.508 1418 W N -1.698 119.599 121.300 -0.004 0.000 2.799 1418 W HA 0.676 5.336 4.660 -0.000 0.000 0.416 1418 W C -1.482 175.047 176.519 0.017 0.000 1.108 1418 W CA -0.841 56.509 57.345 0.007 0.000 1.169 1418 W CB 0.466 29.929 29.460 0.005 0.000 1.471 1418 W HN 0.626 nan 8.180 nan 0.000 0.586 1419 K N 1.032 121.651 120.400 0.365 0.000 2.295 1419 K HA 0.533 4.853 4.320 -0.000 0.000 0.239 1419 K C -2.544 174.292 176.600 0.393 0.000 0.991 1419 K CA -1.871 54.543 56.287 0.212 0.000 0.845 1419 K CB 2.556 35.149 32.500 0.155 0.000 1.197 1419 K HN 0.212 nan 8.250 nan 0.000 0.441 1420 P HA 0.134 nan 4.420 nan 0.000 0.238 1420 P C -1.042 176.368 177.300 0.183 0.000 1.758 1420 P CA -0.483 62.758 63.100 0.235 0.000 1.142 1420 P CB 0.342 32.135 31.700 0.156 0.000 1.722 1421 L N 4.086 125.432 121.223 0.204 0.000 2.453 1421 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 1421 L C -0.659 176.316 176.870 0.176 0.000 1.179 1421 L CA -0.403 54.551 54.840 0.191 0.000 0.813 1421 L CB 0.509 42.686 42.059 0.197 0.000 1.110 1421 L HN 0.246 nan 8.230 nan 0.000 0.466 1422 L N 4.979 126.311 121.223 0.183 0.000 2.415 1422 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 1422 L C -0.846 176.122 176.870 0.164 0.000 0.984 1422 L CA -0.474 54.426 54.840 0.101 0.000 0.853 1422 L CB 1.127 43.078 42.059 -0.179 0.000 1.215 1422 L HN 0.644 nan 8.230 nan 0.000 0.419 1423 M N 2.723 122.405 119.600 0.137 0.000 2.283 1423 M HA 0.371 4.851 4.480 -0.000 0.000 0.314 1423 M C 0.786 177.142 176.300 0.094 0.000 1.153 1423 M CA -0.294 55.057 55.300 0.085 0.000 1.084 1423 M CB 0.993 33.600 32.600 0.011 0.000 1.468 1423 M HN 0.651 nan 8.290 nan 0.000 0.474 1424 G N 0.184 109.027 108.800 0.072 0.000 4.829 1424 G HA2 0.457 4.417 3.960 -0.000 0.000 0.320 1424 G HA3 0.457 4.417 3.960 -0.000 0.000 0.320 1424 G C 0.726 175.672 174.900 0.078 0.000 1.445 1424 G CA -0.429 44.726 45.100 0.092 0.000 1.151 1424 G HN 0.640 nan 8.290 nan 0.000 0.572 1425 V N 0.312 120.271 119.914 0.076 0.000 0.484 1425 V HA -0.398 3.721 4.120 -0.000 0.000 0.092 1425 V C 2.819 178.929 176.094 0.026 0.000 2.409 1425 V CA 3.112 65.442 62.300 0.050 0.000 3.648 1425 V CB -1.453 30.390 31.823 0.034 0.000 0.935 1425 V HN 0.553 nan 8.190 nan 0.000 0.977 1426 T N -1.122 113.448 114.554 0.027 0.000 2.739 1426 T HA -0.084 4.266 4.350 -0.000 0.000 0.246 1426 T C 1.374 176.030 174.700 -0.074 0.000 1.058 1426 T CA 1.383 63.490 62.100 0.011 0.000 1.184 1426 T CB -0.230 68.660 68.868 0.038 0.000 0.887 1426 T HN 0.583 nan 8.240 nan 0.000 0.408 1427 K N 1.412 121.762 120.400 -0.083 0.000 2.589 1427 K HA -0.024 4.296 4.320 -0.000 0.000 0.195 1427 K C 2.160 178.611 176.600 -0.249 0.000 1.042 1427 K CA 0.375 56.568 56.287 -0.156 0.000 0.940 1427 K CB -0.067 32.368 32.500 -0.108 0.000 0.776 1427 K HN 0.159 nan 8.250 nan 0.000 0.487 1428 S N 0.297 115.872 115.700 -0.208 0.000 2.440 1428 S HA 0.084 4.554 4.470 -0.000 0.000 0.194 1428 S C 2.016 176.500 174.600 -0.193 0.000 0.952 1428 S CA 0.469 58.490 58.200 -0.299 0.000 0.898 1428 S CB -0.137 63.031 63.200 -0.053 0.000 0.875 1428 S HN 0.280 nan 8.310 nan 0.000 0.581 1429 A N 1.583 124.381 122.820 -0.036 0.000 1.986 1429 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 1429 A C 2.081 179.605 177.584 -0.101 0.000 1.171 1429 A CA 1.789 53.849 52.037 0.038 0.000 0.640 1429 A CB -0.939 18.142 19.000 0.135 0.000 0.811 1429 A HN 0.591 nan 8.150 nan 0.000 0.451 1430 L N -0.957 120.065 121.223 -0.335 0.000 2.362 1430 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 1430 L C 1.040 177.542 176.870 -0.614 0.000 1.134 1430 L CA 1.737 56.054 54.840 -0.873 0.000 0.807 1430 L CB -0.175 41.466 42.059 -0.696 0.000 0.927 1430 L HN 0.248 nan 8.230 nan 0.000 0.447 1431 S N -0.572 114.903 115.700 -0.375 0.000 2.395 1431 S HA 0.570 5.040 4.470 -0.000 0.000 0.207 1431 S C -0.488 174.022 174.600 -0.150 0.000 1.454 1431 S CA -0.138 57.891 58.200 -0.284 0.000 1.211 1431 S CB -0.104 62.907 63.200 -0.313 0.000 1.093 1431 S HN 0.376 nan 8.310 nan 0.000 0.472 1432 T N 4.169 118.706 114.554 -0.029 0.000 3.168 1432 T HA 0.315 4.665 4.350 -0.000 0.000 0.373 1432 T C -0.242 174.481 174.700 0.038 0.000 1.681 1432 T CA 0.014 62.186 62.100 0.121 0.000 1.135 1432 T CB 0.617 69.664 68.868 0.299 0.000 1.477 1432 T HN 0.842 nan 8.240 nan 0.000 0.480 1433 K N 1.451 121.864 120.400 0.022 0.000 2.331 1433 K HA -0.200 4.119 4.320 -0.000 0.000 0.159 1433 K C 0.578 177.158 176.600 -0.034 0.000 0.830 1433 K CA 1.760 58.017 56.287 -0.050 0.000 0.383 1433 K CB -2.192 30.221 32.500 -0.144 0.000 0.742 1433 K HN 1.125 nan 8.250 nan 0.000 0.782 1434 S N 1.778 117.437 115.700 -0.069 0.000 2.465 1434 S HA 0.198 4.668 4.470 -0.000 0.000 0.280 1434 S C 1.318 175.884 174.600 -0.056 0.000 1.232 1434 S CA 0.538 58.700 58.200 -0.063 0.000 1.066 1434 S CB -0.228 62.868 63.200 -0.173 0.000 0.929 1434 S HN 0.518 nan 8.310 nan 0.000 0.494 1435 W N 6.920 128.154 121.300 -0.111 0.000 2.325 1435 W HA -0.172 4.488 4.660 -0.000 0.000 0.299 1435 W C 1.075 177.476 176.519 -0.197 0.000 1.215 1435 W CA 0.880 58.150 57.345 -0.126 0.000 1.244 1435 W CB -0.665 28.728 29.460 -0.112 0.000 1.140 1435 W HN 0.606 nan 8.180 nan 0.000 0.523 1436 L N 2.082 122.553 121.223 -1.254 0.000 2.151 1436 L HA -0.300 4.040 4.340 -0.000 0.000 0.215 1436 L C 2.965 179.404 176.870 -0.719 0.000 1.084 1436 L CA 2.668 56.720 54.840 -1.312 0.000 0.764 1436 L CB -1.287 40.104 42.059 -1.113 0.000 0.891 1436 L HN 0.455 nan 8.230 nan 0.000 0.435 1437 S N -2.040 113.430 115.700 -0.384 0.000 2.412 1437 S HA 0.055 4.525 4.470 -0.000 0.000 0.223 1437 S C 2.137 176.752 174.600 0.026 0.000 1.048 1437 S CA 0.377 58.474 58.200 -0.173 0.000 0.954 1437 S CB -0.673 62.501 63.200 -0.042 0.000 0.840 1437 S HN 0.290 nan 8.310 nan 0.000 0.503 1438 A N 2.141 125.040 122.820 0.132 0.000 2.032 1438 A HA 0.156 4.475 4.320 -0.000 0.000 0.221 1438 A C 2.430 180.187 177.584 0.288 0.000 1.165 1438 A CA 1.878 54.109 52.037 0.324 0.000 0.645 1438 A CB -1.448 17.590 19.000 0.063 0.000 0.807 1438 A HN 0.958 nan 8.150 nan 0.000 0.453 1439 A N -0.502 122.330 122.820 0.020 0.000 1.972 1439 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 1439 A C 2.411 180.051 177.584 0.095 0.000 1.169 1439 A CA 1.948 53.968 52.037 -0.028 0.000 0.635 1439 A CB -0.794 17.833 19.000 -0.622 0.000 0.810 1439 A HN 0.481 nan 8.150 nan 0.000 0.446 1440 S N -0.367 115.313 115.700 -0.033 0.000 2.359 1440 S HA -0.056 4.413 4.470 -0.000 0.000 0.224 1440 S C 0.675 175.228 174.600 -0.079 0.000 1.035 1440 S CA 0.680 58.835 58.200 -0.075 0.000 1.018 1440 S CB -0.580 62.432 63.200 -0.312 0.000 0.876 1440 S HN 0.485 nan 8.310 nan 0.000 0.448 1441 F N 1.600 121.551 119.950 0.001 0.000 2.646 1441 F HA 0.059 4.585 4.527 -0.000 0.000 0.321 1441 F C 1.235 177.047 175.800 0.020 0.000 1.241 1441 F CA -0.027 57.973 58.000 -0.001 0.000 1.365 1441 F CB 0.145 39.130 39.000 -0.025 0.000 1.143 1441 F HN 0.008 nan 8.300 nan 0.000 0.601 1442 Q N 2.479 122.424 119.800 0.241 0.000 2.837 1442 Q HA 0.187 4.526 4.340 -0.000 0.000 0.235 1442 Q C -0.827 175.244 176.000 0.118 0.000 1.348 1442 Q CA 0.076 55.960 55.803 0.136 0.000 0.990 1442 Q CB -0.699 28.098 28.738 0.098 0.000 1.570 1442 Q HN 0.589 nan 8.270 nan 0.000 0.575 1443 N N -0.249 118.528 118.700 0.128 0.000 3.409 1443 N HA -0.058 4.682 4.740 -0.000 0.000 0.152 1443 N C -0.052 175.538 175.510 0.134 0.000 1.074 1443 N CA 0.221 53.331 53.050 0.101 0.000 2.735 1443 N CB -0.802 37.701 38.487 0.026 0.000 1.246 1443 N HN 0.150 nan 8.380 nan 0.000 0.773 1444 T N 0.392 115.046 114.554 0.167 0.000 2.720 1444 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 1444 T C 1.712 176.541 174.700 0.214 0.000 1.037 1444 T CA 2.624 64.858 62.100 0.225 0.000 1.144 1444 T CB -0.293 68.735 68.868 0.266 0.000 0.864 1444 T HN 0.447 nan 8.240 nan 0.000 0.444 1445 T N 0.610 115.262 114.554 0.163 0.000 2.746 1445 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 1445 T C 1.662 176.449 174.700 0.145 0.000 1.039 1445 T CA 1.599 63.777 62.100 0.131 0.000 1.142 1445 T CB -0.482 68.438 68.868 0.087 0.000 0.866 1445 T HN 0.683 nan 8.240 nan 0.000 0.444 1446 H N 0.617 119.708 119.070 0.035 0.000 2.256 1446 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 1446 H C 2.271 177.605 175.328 0.010 0.000 1.062 1446 H CA 1.110 57.161 56.048 0.004 0.000 1.283 1446 H CB -0.317 29.446 29.762 0.002 0.000 1.379 1446 H HN 0.010 nan 8.280 nan 0.000 0.493 1447 V N 0.686 120.709 119.914 0.181 0.000 2.495 1447 V HA -0.299 3.820 4.120 -0.000 0.000 0.260 1447 V C 2.417 178.598 176.094 0.145 0.000 1.097 1447 V CA 1.699 64.058 62.300 0.098 0.000 1.105 1447 V CB -0.562 31.313 31.823 0.086 0.000 0.678 1447 V HN 0.375 nan 8.190 nan 0.000 0.469 1448 L N -1.149 120.166 121.223 0.154 0.000 2.145 1448 L HA -0.021 4.319 4.340 -0.000 0.000 0.201 1448 L C 2.527 179.363 176.870 -0.057 0.000 1.075 1448 L CA 2.149 57.031 54.840 0.071 0.000 0.773 1448 L CB -1.127 41.046 42.059 0.191 0.000 0.936 1448 L HN 0.273 nan 8.230 nan 0.000 0.451 1449 T N -0.595 113.949 114.554 -0.016 0.000 2.597 1449 T HA -0.314 4.035 4.350 -0.000 0.000 0.267 1449 T C 1.690 176.306 174.700 -0.140 0.000 1.053 1449 T CA 1.968 64.004 62.100 -0.107 0.000 1.165 1449 T CB -0.160 68.628 68.868 -0.133 0.000 0.863 1449 T HN 0.305 nan 8.240 nan 0.000 0.427 1450 E N 1.407 121.571 120.200 -0.061 0.000 2.026 1450 E HA -0.180 4.170 4.350 -0.000 0.000 0.206 1450 E C 2.303 178.822 176.600 -0.135 0.000 1.028 1450 E CA 1.893 58.256 56.400 -0.062 0.000 0.845 1450 E CB -0.879 28.851 29.700 0.049 0.000 0.772 1450 E HN 0.412 nan 8.360 nan 0.000 0.462 1451 A N 0.761 123.459 122.820 -0.204 0.000 1.958 1451 A HA -0.205 4.114 4.320 -0.000 0.000 0.221 1451 A C 2.436 179.797 177.584 -0.371 0.000 1.178 1451 A CA 2.850 54.656 52.037 -0.386 0.000 0.642 1451 A CB -1.273 17.223 19.000 -0.839 0.000 0.816 1451 A HN 0.474 nan 8.150 nan 0.000 0.453 1452 A N 0.020 122.656 122.820 -0.306 0.000 1.835 1452 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 1452 A C 2.094 179.577 177.584 -0.170 0.000 1.199 1452 A CA 1.478 53.374 52.037 -0.235 0.000 0.615 1452 A CB -0.726 18.156 19.000 -0.196 0.000 0.838 1452 A HN 0.492 nan 8.150 nan 0.000 0.444 1453 I N 0.110 120.587 120.570 -0.154 0.000 2.043 1453 I HA -0.202 3.968 4.170 -0.000 0.000 0.223 1453 I C 1.832 177.946 176.117 -0.004 0.000 1.026 1453 I CA 0.672 61.946 61.300 -0.044 0.000 1.326 1453 I CB -0.929 37.056 38.000 -0.027 0.000 1.060 1453 I HN 0.407 nan 8.210 nan 0.000 0.386 1454 A N 0.911 123.724 122.820 -0.013 0.000 2.614 1454 A HA 0.076 4.396 4.320 -0.000 0.000 0.231 1454 A C 1.488 179.042 177.584 -0.050 0.000 1.076 1454 A CA 0.690 52.722 52.037 -0.008 0.000 0.767 1454 A CB -0.594 18.390 19.000 -0.026 0.000 1.012 1454 A HN 0.647 nan 8.150 nan 0.000 0.512 1455 G N 0.421 109.205 108.800 -0.027 0.000 2.587 1455 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.217 1455 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.217 1455 G C 0.355 175.200 174.900 -0.092 0.000 1.240 1455 G CA 1.124 46.198 45.100 -0.043 0.000 0.794 1455 G HN 1.011 nan 8.290 nan 0.000 0.580 1456 K N -0.596 119.757 120.400 -0.078 0.000 7.566 1456 K HA -0.129 4.190 4.320 -0.000 0.000 0.589 1456 K C -0.378 176.193 176.600 -0.049 0.000 2.590 1456 K CA 1.077 57.311 56.287 -0.088 0.000 2.016 1456 K CB -0.434 31.951 32.500 -0.191 0.000 2.024 1456 K HN 0.675 nan 8.250 nan 0.000 0.274 1457 K N 0.938 121.385 120.400 0.079 0.000 2.495 1457 K HA 0.285 4.605 4.320 -0.000 0.000 0.268 1457 K C 0.600 177.399 176.600 0.331 0.000 1.008 1457 K CA -0.885 55.517 56.287 0.192 0.000 0.882 1457 K CB 1.665 34.222 32.500 0.096 0.000 1.443 1457 K HN 0.544 nan 8.250 nan 0.000 0.447 1458 D N 0.777 121.361 120.400 0.306 0.000 2.338 1458 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 1458 D C 0.235 176.529 176.300 -0.010 0.000 0.997 1458 D CA 0.671 54.718 54.000 0.079 0.000 0.880 1458 D CB 0.556 41.256 40.800 -0.166 0.000 0.980 1458 D HN 0.737 nan 8.370 nan 0.000 0.509 1459 E N -0.115 120.096 120.200 0.019 0.000 3.449 1459 E HA -0.246 4.104 4.350 -0.000 0.000 0.289 1459 E C 0.420 177.003 176.600 -0.028 0.000 0.870 1459 E CA 0.545 56.946 56.400 0.002 0.000 0.946 1459 E CB -1.784 27.919 29.700 0.005 0.000 1.476 1459 E HN 0.508 nan 8.360 nan 0.000 0.466 1460 L N -1.052 120.133 121.223 -0.063 0.000 4.060 1460 L HA -0.311 4.029 4.340 -0.000 0.000 0.467 1460 L C 1.383 178.211 176.870 -0.069 0.000 1.157 1460 L CA 0.801 55.592 54.840 -0.082 0.000 0.719 1460 L CB -1.662 40.359 42.059 -0.063 0.000 1.606 1460 L HN 0.299 nan 8.230 nan 0.000 0.822 1461 I N -0.286 120.229 120.570 -0.092 0.000 2.260 1461 I HA -0.010 4.160 4.170 -0.000 0.000 0.237 1461 I C 2.178 178.229 176.117 -0.110 0.000 1.075 1461 I CA 1.248 62.491 61.300 -0.096 0.000 1.376 1461 I CB -0.175 37.734 38.000 -0.152 0.000 1.107 1461 I HN 0.575 nan 8.210 nan 0.000 0.420 1462 G N 0.317 109.025 108.800 -0.152 0.000 2.504 1462 G HA2 0.048 4.007 3.960 -0.000 0.000 0.291 1462 G HA3 0.048 4.007 3.960 -0.000 0.000 0.291 1462 G C 0.689 175.608 174.900 0.033 0.000 1.345 1462 G CA -0.084 44.954 45.100 -0.104 0.000 1.090 1462 G HN 0.190 nan 8.290 nan 0.000 0.591 1463 L N -1.309 120.070 121.223 0.260 0.000 2.471 1463 L HA 0.180 4.519 4.340 -0.000 0.000 0.186 1463 L C 2.847 179.718 176.870 0.002 0.000 1.191 1463 L CA 0.180 55.097 54.840 0.128 0.000 0.835 1463 L CB -0.456 41.700 42.059 0.161 0.000 1.092 1463 L HN 0.431 nan 8.230 nan 0.000 0.495 1464 K N 0.679 121.012 120.400 -0.112 0.000 2.207 1464 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 1464 K C 1.751 178.281 176.600 -0.118 0.000 1.046 1464 K CA 1.826 58.006 56.287 -0.177 0.000 0.929 1464 K CB -0.229 32.113 32.500 -0.262 0.000 0.720 1464 K HN 0.421 nan 8.250 nan 0.000 0.463 1465 E N 0.682 120.832 120.200 -0.083 0.000 1.997 1465 E HA -0.205 4.145 4.350 -0.000 0.000 0.201 1465 E C 1.834 178.359 176.600 -0.126 0.000 1.011 1465 E CA 1.312 57.630 56.400 -0.138 0.000 0.847 1465 E CB -0.445 29.172 29.700 -0.139 0.000 0.787 1465 E HN 0.400 nan 8.360 nan 0.000 0.472 1466 N N 0.540 119.185 118.700 -0.093 0.000 2.184 1466 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 1466 N C 1.989 177.457 175.510 -0.070 0.000 1.011 1466 N CA 0.834 53.838 53.050 -0.077 0.000 0.867 1466 N CB -0.040 38.414 38.487 -0.055 0.000 0.993 1466 N HN -0.053 nan 8.380 nan 0.000 0.433 1467 V N 1.937 121.806 119.914 -0.074 0.000 2.233 1467 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 1467 V C 2.181 178.236 176.094 -0.065 0.000 1.050 1467 V CA 1.572 63.829 62.300 -0.072 0.000 1.010 1467 V CB -0.446 31.323 31.823 -0.090 0.000 0.637 1467 V HN 0.303 nan 8.190 nan 0.000 0.444 1468 I N -0.418 120.106 120.570 -0.076 0.000 2.147 1468 I HA -0.373 3.797 4.170 -0.000 0.000 0.245 1468 I C 2.263 178.370 176.117 -0.017 0.000 1.059 1468 I CA 1.964 63.238 61.300 -0.044 0.000 1.320 1468 I CB -0.402 37.555 38.000 -0.072 0.000 1.021 1468 I HN 0.301 nan 8.210 nan 0.000 0.415 1469 L N -0.281 120.918 121.223 -0.040 0.000 2.291 1469 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 1469 L C 1.753 178.610 176.870 -0.023 0.000 1.120 1469 L CA 0.951 55.778 54.840 -0.021 0.000 0.799 1469 L CB -0.467 41.570 42.059 -0.038 0.000 0.925 1469 L HN 0.600 nan 8.230 nan 0.000 0.446 1470 G N -0.394 108.385 108.800 -0.035 0.000 2.179 1470 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 1470 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 1470 G C 0.458 175.335 174.900 -0.039 0.000 0.990 1470 G CA -0.337 44.742 45.100 -0.035 0.000 0.646 1470 G HN 0.202 nan 8.290 nan 0.000 0.517 1471 R N -0.748 119.727 120.500 -0.042 0.000 2.944 1471 R HA 0.337 4.677 4.340 -0.000 0.000 0.279 1471 R C 0.401 176.674 176.300 -0.046 0.000 1.048 1471 R CA -0.272 55.802 56.100 -0.043 0.000 1.196 1471 R CB 0.104 30.378 30.300 -0.044 0.000 1.134 1471 R HN 0.261 nan 8.270 nan 0.000 0.525 1472 L N 2.677 123.872 121.223 -0.048 0.000 2.313 1472 L HA 0.126 4.466 4.340 -0.000 0.000 0.282 1472 L C -0.268 176.580 176.870 -0.038 0.000 1.092 1472 L CA 0.021 54.831 54.840 -0.050 0.000 0.831 1472 L CB 0.375 42.394 42.059 -0.067 0.000 1.159 1472 L HN 0.339 nan 8.230 nan 0.000 0.442 1473 I N 9.129 129.680 120.570 -0.032 0.000 3.148 1473 I HA -0.091 4.078 4.170 -0.000 0.000 0.317 1473 I C -0.981 175.132 176.117 -0.007 0.000 1.237 1473 I CA -0.614 60.675 61.300 -0.019 0.000 1.423 1473 I CB 0.167 38.159 38.000 -0.013 0.000 1.352 1473 I HN 0.600 nan 8.210 nan 0.000 0.526 1474 P HA -0.086 nan 4.420 nan 0.000 0.217 1474 P C 0.675 177.989 177.300 0.024 0.000 1.151 1474 P CA 0.934 64.039 63.100 0.009 0.000 0.828 1474 P CB 0.360 32.062 31.700 0.003 0.000 0.788 1475 A N 0.147 122.979 122.820 0.020 0.000 2.227 1475 A HA 0.435 4.755 4.320 -0.000 0.000 0.279 1475 A C 1.417 179.022 177.584 0.034 0.000 1.367 1475 A CA 0.499 52.550 52.037 0.023 0.000 0.824 1475 A CB -1.488 17.521 19.000 0.017 0.000 1.214 1475 A HN 0.379 nan 8.150 nan 0.000 0.514 1476 G N -1.293 107.528 108.800 0.035 0.000 2.632 1476 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.322 1476 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.322 1476 G C 1.004 175.951 174.900 0.078 0.000 1.326 1476 G CA 2.276 47.406 45.100 0.051 0.000 0.986 1476 G HN 2.287 nan 8.290 nan 0.000 0.541 1477 T N -1.246 113.360 114.554 0.088 0.000 3.541 1477 T HA 0.387 4.736 4.350 -0.000 0.000 0.255 1477 T C 1.727 176.479 174.700 0.087 0.000 1.158 1477 T CA 1.192 63.365 62.100 0.122 0.000 1.000 1477 T CB -0.226 68.744 68.868 0.169 0.000 1.008 1477 T HN 1.557 nan 8.240 nan 0.000 0.568 1478 G N 0.344 109.183 108.800 0.065 0.000 2.724 1478 G HA2 0.192 4.152 3.960 -0.000 0.000 0.205 1478 G HA3 0.192 4.152 3.960 -0.000 0.000 0.205 1478 G C 0.451 175.389 174.900 0.063 0.000 1.112 1478 G CA -0.456 44.666 45.100 0.037 0.000 0.793 1478 G HN 0.496 nan 8.290 nan 0.000 0.526 1479 S N 2.041 117.799 115.700 0.097 0.000 2.784 1479 S HA -0.024 4.446 4.470 -0.000 0.000 0.322 1479 S C 1.087 175.785 174.600 0.164 0.000 1.234 1479 S CA -0.062 58.221 58.200 0.137 0.000 1.064 1479 S CB 0.437 63.748 63.200 0.184 0.000 0.787 1479 S HN 0.340 nan 8.310 nan 0.000 0.506 1480 D N 2.344 122.822 120.400 0.132 0.000 2.254 1480 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 1480 D C 1.207 177.593 176.300 0.144 0.000 0.998 1480 D CA 1.070 55.135 54.000 0.108 0.000 0.885 1480 D CB -0.172 40.683 40.800 0.091 0.000 0.915 1480 D HN 0.713 nan 8.370 nan 0.000 0.460 1481 F N 0.959 120.956 119.950 0.078 0.000 2.605 1481 F HA -0.094 4.432 4.527 -0.000 0.000 0.296 1481 F C 0.306 176.205 175.800 0.166 0.000 1.146 1481 F CA 0.559 58.618 58.000 0.099 0.000 1.478 1481 F CB 0.404 39.451 39.000 0.078 0.000 1.107 1481 F HN -0.312 nan 8.300 nan 0.000 0.600 1482 V N 1.073 121.113 119.914 0.209 0.000 2.568 1482 V HA 0.366 4.485 4.120 -0.000 0.000 0.276 1482 V C -0.203 175.938 176.094 0.079 0.000 1.002 1482 V CA -0.610 61.846 62.300 0.260 0.000 0.879 1482 V CB 1.422 33.446 31.823 0.336 0.000 1.040 1482 V HN 0.173 nan 8.190 nan 0.000 0.457 1483 R N 2.966 123.470 120.500 0.007 0.000 2.455 1483 R HA 0.154 4.494 4.340 -0.000 0.000 0.256 1483 R C -0.598 175.623 176.300 -0.133 0.000 0.804 1483 R CA -0.295 55.728 56.100 -0.128 0.000 0.986 1483 R CB 0.599 30.873 30.300 -0.043 0.000 1.350 1483 R HN 0.639 nan 8.270 nan 0.000 0.632 1484 F N -0.749 119.191 119.950 -0.018 0.000 2.438 1484 F HA 0.373 4.899 4.527 -0.000 0.000 0.356 1484 F C 1.523 177.323 175.800 -0.001 0.000 1.099 1484 F CA -0.551 57.432 58.000 -0.028 0.000 1.185 1484 F CB 0.524 39.490 39.000 -0.057 0.000 1.115 1484 F HN -0.144 nan 8.300 nan 0.000 0.526 1485 T N 1.284 115.889 114.554 0.085 0.000 2.502 1485 T HA -0.460 3.890 4.350 -0.000 0.000 0.238 1485 T C 1.499 176.232 174.700 0.055 0.000 1.324 1485 T CA 3.493 65.623 62.100 0.050 0.000 1.111 1485 T CB -1.398 67.514 68.868 0.074 0.000 0.835 1485 T HN 1.456 nan 8.240 nan 0.000 0.449 1486 Q N -1.011 118.908 119.800 0.199 0.000 2.439 1486 Q HA -0.039 4.300 4.340 -0.000 0.000 0.325 1486 Q C 0.035 176.093 176.000 0.097 0.000 1.372 1486 Q CA 0.916 56.851 55.803 0.221 0.000 0.909 1486 Q CB -2.531 26.368 28.738 0.268 0.000 1.167 1486 Q HN 0.823 nan 8.270 nan 0.000 0.418 1487 V N -0.978 118.980 119.914 0.073 0.000 2.554 1487 V HA 0.764 4.883 4.120 -0.000 0.000 0.258 1487 V C 0.773 176.891 176.094 0.039 0.000 0.919 1487 V CA -0.037 62.291 62.300 0.046 0.000 0.910 1487 V CB 0.672 32.514 31.823 0.032 0.000 1.100 1487 V HN 1.276 nan 8.190 nan 0.000 0.491 1488 V N 1.129 121.066 119.914 0.040 0.000 3.770 1488 V HA 1.007 5.127 4.120 -0.000 0.000 0.288 1488 V C 0.709 176.818 176.094 0.024 0.000 1.291 1488 V CA 0.581 62.899 62.300 0.030 0.000 0.948 1488 V CB 1.465 33.306 31.823 0.030 0.000 1.269 1488 V HN 0.554 nan 8.190 nan 0.000 0.469 1489 D N -3.956 116.455 120.400 0.020 0.000 4.213 1489 D HA 0.503 5.143 4.640 -0.000 0.000 0.267 1489 D C 1.096 177.404 176.300 0.013 0.000 0.455 1489 D CA 2.071 56.080 54.000 0.016 0.000 0.695 1489 D CB -1.060 39.750 40.800 0.016 0.000 1.627 1489 D HN 2.601 nan 8.370 nan 0.000 0.123 1490 Q N -3.341 116.466 119.800 0.012 0.000 2.311 1490 Q HA -0.047 4.293 4.340 -0.000 0.000 0.178 1490 Q C 1.939 177.944 176.000 0.009 0.000 0.596 1490 Q CA 3.933 59.742 55.803 0.010 0.000 1.377 1490 Q CB -3.039 25.704 28.738 0.009 0.000 1.372 1490 Q HN 2.445 nan 8.270 nan 0.000 0.896 1491 R N -2.503 118.003 120.500 0.010 0.000 2.428 1491 R HA 0.661 5.001 4.340 -0.000 0.000 0.193 1491 R C 2.725 179.031 176.300 0.011 0.000 0.852 1491 R CA 1.880 57.985 56.100 0.010 0.000 1.055 1491 R CB -1.106 29.200 30.300 0.009 0.000 1.343 1491 R HN 1.617 nan 8.270 nan 0.000 0.655 1492 T N 0.127 114.688 114.554 0.012 0.000 3.072 1492 T HA 0.427 4.776 4.350 -0.000 0.000 0.266 1492 T C 2.130 176.838 174.700 0.013 0.000 1.127 1492 T CA 2.118 64.226 62.100 0.013 0.000 1.107 1492 T CB -0.504 68.373 68.868 0.015 0.000 0.910 1492 T HN 0.836 nan 8.240 nan 0.000 0.513 1493 L N -0.284 120.947 121.223 0.013 0.000 2.477 1493 L HA 0.653 4.993 4.340 -0.000 0.000 0.220 1493 L C 2.920 179.796 176.870 0.011 0.000 1.106 1493 L CA 1.567 56.415 54.840 0.013 0.000 0.851 1493 L CB -1.661 40.406 42.059 0.013 0.000 0.994 1493 L HN 0.676 nan 8.230 nan 0.000 0.462 1494 K N 0.122 120.528 120.400 0.010 0.000 2.005 1494 K HA 0.431 4.751 4.320 -0.000 0.000 0.206 1494 K C 2.200 178.805 176.600 0.008 0.000 1.044 1494 K CA 1.150 57.442 56.287 0.008 0.000 0.942 1494 K CB -1.259 31.246 32.500 0.008 0.000 0.727 1494 K HN 1.292 nan 8.250 nan 0.000 0.439 1495 A N 0.140 122.965 122.820 0.008 0.000 2.176 1495 A HA 0.456 4.776 4.320 -0.000 0.000 0.214 1495 A C 1.669 179.258 177.584 0.008 0.000 1.327 1495 A CA 1.326 53.368 52.037 0.008 0.000 1.015 1495 A CB -1.391 17.614 19.000 0.008 0.000 0.818 1495 A HN 1.298 nan 8.150 nan 0.000 0.500 1496 I N -3.426 117.149 120.570 0.009 0.000 5.010 1496 I HA 0.595 4.765 4.170 -0.000 0.000 0.329 1496 I C 0.893 177.015 176.117 0.009 0.000 1.229 1496 I CA 1.165 62.470 61.300 0.009 0.000 1.399 1496 I CB -0.843 37.163 38.000 0.011 0.000 1.459 1496 I HN 0.536 nan 8.210 nan 0.000 0.500 1497 E N 0.000 120.205 120.200 0.008 0.000 2.725 1497 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1497 E CA 0.000 56.405 56.400 0.008 0.000 0.976 1497 E CB 0.000 29.705 29.700 0.008 0.000 0.812 1497 E HN 0.000 nan 8.360 nan 0.000 0.440