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 2hg4_1_F DATA FIRST_RESID 20 DATA SEQUENCE VTELDSVTAR LREVEHRAGE PIAIVGXACR FPGDVDSPES FWEFVSGGGD DATA SEQUENCE AIAEAPADRG WEPDPDARLG GXLAAAGDFD AGFFGISPRE ALAXDPQQRI DATA SEQUENCE XLEISWEALE RAGHDPVSLR GSATGVFTGV GTVDYGPRPD EAPDEVLGYV DATA SEQUENCE GTGTASSVAS GRVAYCLGLE GPAXTVDTAC SSGLTALHLA XESLRRDECG DATA SEQUENCE LALAGGVTVX SSPGAFTEFR SQGGLAADGR CKPFSKAADG FGLAEGAGVL DATA SEQUENCE VLQRLSAARR EGRPVLAVLR GSAVNQDGAS NGLTAPSGPA QQRVIRRALE DATA SEQUENCE NAGVRAGDVD YVEAHGTGTR LGDPIEVHAL LSTYGAERDP DDPLWIGSVK DATA SEQUENCE SNIGHTQAAA GVAGVXKAVL ALRHGEXPRT LHFDEPSPQI EWDLGAVSVV DATA SEQUENCE SQARSWPAGE RPRRAGVSSF GISGTNAHVI VEEAPEADXX XXXXXXGPVP DATA SEQUENCE LVLSGRDEQA XRAQAGRLAD HLAREPRNSL RDTGFTLATR RSAWEHRAVV DATA SEQUENCE VGDRDEALAG LRAVADGRIA DRTATGQART RRGVAXVFPG QGAQWQGXAR DATA SEQUENCE DLLRESQVFA DSIRDCERAL APHVDWSLTD LLSGARPLDR VDVVQPALFA DATA SEQUENCE VXVSLAALWR SHGVEPAAVV GHSQGEIAAA HVAGALTLED AAKLVAVRSR DATA SEQUENCE VLRRLGGQGG XASFGLGTEQ AAERIGRFAG ALSIASVNGP RSVVVAGESG DATA SEQUENCE PLDELIAECE AEAHKARRIP VDYASHSPQV ESLREELLTE LAGISPVSAD DATA SEQUENCE VALYSTTTGQ PIDTATXDTA YWYANLREQV RFQDATRQLA EAGFDAFVEV DATA SEQUENCE SPHPVLTVGI EATLDSALPA DAGACVVGTL RRDRGGLADF HTALGEAYAQ DATA SEQUENCE GVEVDWSPAF ADARPVELPV YPFQRQRYWL PI 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 20 V HA 0.000 nan 4.120 nan 0.000 0.244 20 V C 0.000 176.095 176.094 0.002 0.000 1.182 20 V CA 0.000 62.301 62.300 0.002 0.000 1.235 20 V CB 0.000 31.824 31.823 0.002 0.000 1.184 21 T N 0.348 114.903 114.554 0.002 0.000 2.643 21 T HA -0.129 4.221 4.350 -0.000 0.000 0.264 21 T C 1.097 175.799 174.700 0.002 0.000 1.045 21 T CA 1.735 63.836 62.100 0.002 0.000 1.155 21 T CB -0.011 68.858 68.868 0.002 0.000 0.863 21 T HN 0.583 nan 8.240 nan 0.000 0.420 22 E N 1.048 121.250 120.200 0.003 0.000 3.079 22 E HA 0.125 4.475 4.350 -0.000 0.000 0.267 22 E C 0.829 177.431 176.600 0.004 0.000 1.509 22 E CA -0.127 56.275 56.400 0.003 0.000 1.630 22 E CB -0.450 29.253 29.700 0.004 0.000 1.373 22 E HN 0.267 nan 8.360 nan 0.000 0.439 23 L N 0.119 121.344 121.223 0.004 0.000 2.168 23 L HA -0.044 4.296 4.340 -0.000 0.000 0.203 23 L C 1.369 178.241 176.870 0.004 0.000 1.078 23 L CA 0.914 55.756 54.840 0.004 0.000 0.780 23 L CB -0.044 42.017 42.059 0.004 0.000 0.939 23 L HN 0.173 nan 8.230 nan 0.000 0.451 24 D N -0.237 120.165 120.400 0.003 0.000 2.242 24 D HA -0.273 4.367 4.640 -0.000 0.000 0.193 24 D C 2.333 178.634 176.300 0.002 0.000 1.005 24 D CA 2.131 56.132 54.000 0.002 0.000 0.856 24 D CB -0.705 40.096 40.800 0.001 0.000 1.001 24 D HN 0.347 nan 8.370 nan 0.000 0.452 25 S N -0.108 115.593 115.700 0.003 0.000 2.387 25 S HA -0.168 4.302 4.470 -0.000 0.000 0.230 25 S C 2.145 176.748 174.600 0.005 0.000 1.035 25 S CA 1.646 59.848 58.200 0.004 0.000 1.014 25 S CB -0.686 62.516 63.200 0.004 0.000 0.836 25 S HN 0.157 nan 8.310 nan 0.000 0.466 26 V N 1.471 121.389 119.914 0.006 0.000 2.599 26 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 26 V C 2.799 178.898 176.094 0.009 0.000 1.046 26 V CA 1.815 64.119 62.300 0.008 0.000 1.065 26 V CB -1.229 30.598 31.823 0.007 0.000 0.703 26 V HN 0.556 nan 8.190 nan 0.000 0.464 27 T N 0.761 115.319 114.554 0.007 0.000 2.777 27 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 27 T C 2.136 176.840 174.700 0.008 0.000 1.040 27 T CA 1.531 63.636 62.100 0.008 0.000 1.141 27 T CB -0.386 68.485 68.868 0.006 0.000 0.868 27 T HN 0.526 nan 8.240 nan 0.000 0.444 28 A N 2.390 125.213 122.820 0.005 0.000 1.859 28 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 28 A C 2.365 179.954 177.584 0.009 0.000 1.198 28 A CA 1.648 53.687 52.037 0.003 0.000 0.629 28 A CB -0.596 18.404 19.000 0.000 0.000 0.830 28 A HN 0.183 nan 8.150 nan 0.000 0.446 29 R N -0.341 120.166 120.500 0.011 0.000 2.083 29 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 29 R C 2.114 178.428 176.300 0.022 0.000 1.137 29 R CA 1.582 57.692 56.100 0.016 0.000 0.951 29 R CB -1.136 29.172 30.300 0.014 0.000 0.851 29 R HN 0.558 nan 8.270 nan 0.000 0.434 30 L N 1.042 122.277 121.223 0.019 0.000 2.127 30 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 30 L C 2.418 179.307 176.870 0.032 0.000 1.089 30 L CA 1.652 56.506 54.840 0.023 0.000 0.757 30 L CB -0.470 41.600 42.059 0.018 0.000 0.899 30 L HN 0.243 nan 8.230 nan 0.000 0.434 31 R N 0.048 120.565 120.500 0.029 0.000 2.057 31 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 31 R C 2.301 178.642 176.300 0.068 0.000 1.136 31 R CA 1.688 57.811 56.100 0.038 0.000 0.952 31 R CB -0.155 30.155 30.300 0.015 0.000 0.848 31 R HN 0.497 nan 8.270 nan 0.000 0.430 32 E N 0.250 120.481 120.200 0.053 0.000 2.085 32 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 32 E C 1.984 178.651 176.600 0.112 0.000 0.994 32 E CA 1.664 58.115 56.400 0.085 0.000 0.801 32 E CB -0.973 28.757 29.700 0.050 0.000 0.743 32 E HN 0.245 nan 8.360 nan 0.000 0.453 33 V N 1.109 121.064 119.914 0.068 0.000 2.233 33 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 33 V C 2.528 178.652 176.094 0.051 0.000 1.050 33 V CA 2.416 64.747 62.300 0.051 0.000 1.010 33 V CB -0.528 31.315 31.823 0.033 0.000 0.637 33 V HN 0.624 nan 8.190 nan 0.000 0.444 34 E N -1.116 119.118 120.200 0.057 0.000 2.110 34 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 34 E C 2.220 178.857 176.600 0.060 0.000 0.988 34 E CA 1.152 57.581 56.400 0.049 0.000 0.804 34 E CB -0.232 29.496 29.700 0.047 0.000 0.745 34 E HN 0.718 nan 8.360 nan 0.000 0.458 35 H N 0.903 119.979 119.070 0.009 0.000 2.352 35 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 35 H C 2.028 177.361 175.328 0.009 0.000 1.097 35 H CA 1.504 57.558 56.048 0.009 0.000 1.311 35 H CB 0.190 29.957 29.762 0.009 0.000 1.377 35 H HN 0.025 nan 8.280 nan 0.000 0.504 36 R N -0.000 120.425 120.500 -0.125 0.000 2.090 36 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 36 R C 2.610 178.833 176.300 -0.127 0.000 1.110 36 R CA 0.878 56.880 56.100 -0.162 0.000 0.973 36 R CB -0.160 30.129 30.300 -0.018 0.000 0.869 36 R HN 0.340 nan 8.270 nan 0.000 0.440 37 A N 0.011 122.789 122.820 -0.070 0.000 2.070 37 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 37 A C 1.639 179.185 177.584 -0.063 0.000 1.159 37 A CA 1.706 53.713 52.037 -0.050 0.000 0.656 37 A CB -0.168 18.820 19.000 -0.021 0.000 0.800 37 A HN 0.451 nan 8.150 nan 0.000 0.453 38 G N -0.932 107.814 108.800 -0.089 0.000 4.110 38 G HA2 0.327 4.287 3.960 -0.000 0.000 0.292 38 G HA3 0.327 4.287 3.960 -0.000 0.000 0.292 38 G C -0.035 174.795 174.900 -0.116 0.000 1.020 38 G CA 0.014 45.069 45.100 -0.076 0.000 0.808 38 G HN 0.492 nan 8.290 nan 0.000 0.474 39 E N 1.428 121.502 120.200 -0.209 0.000 2.442 39 E HA 0.133 4.483 4.350 -0.000 0.000 0.262 39 E C -2.142 174.394 176.600 -0.107 0.000 1.004 39 E CA -1.380 54.862 56.400 -0.264 0.000 0.928 39 E CB 0.918 30.404 29.700 -0.355 0.000 0.937 39 E HN 0.016 nan 8.360 nan 0.000 0.446 40 P HA 0.011 nan 4.420 nan 0.000 0.267 40 P C -0.868 176.425 177.300 -0.012 0.000 1.205 40 P CA 0.094 63.188 63.100 -0.011 0.000 0.765 40 P CB 0.326 32.037 31.700 0.019 0.000 0.828 41 I N 3.022 123.587 120.570 -0.008 0.000 2.365 41 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 41 I C 0.639 176.761 176.117 0.008 0.000 1.004 41 I CA -0.629 60.667 61.300 -0.006 0.000 1.311 41 I CB 0.657 38.647 38.000 -0.017 0.000 1.401 41 I HN 0.315 nan 8.210 nan 0.000 0.491 42 A N 7.391 130.219 122.820 0.013 0.000 2.327 42 A HA 0.680 5.000 4.320 -0.000 0.000 0.283 42 A C -0.161 177.437 177.584 0.024 0.000 1.127 42 A CA -0.395 51.653 52.037 0.018 0.000 0.810 42 A CB 0.063 19.076 19.000 0.021 0.000 1.066 42 A HN 0.618 nan 8.150 nan 0.000 0.492 43 I N 2.886 123.471 120.570 0.026 0.000 2.297 43 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 43 I C 0.565 176.703 176.117 0.035 0.000 1.033 43 I CA -0.041 61.280 61.300 0.035 0.000 1.253 43 I CB 1.497 39.521 38.000 0.041 0.000 1.396 43 I HN 0.399 nan 8.210 nan 0.000 0.476 44 V N 5.202 125.143 119.914 0.046 0.000 3.621 44 V HA 0.435 4.555 4.120 -0.000 0.000 0.263 44 V C 0.829 176.959 176.094 0.059 0.000 1.272 44 V CA 0.749 63.079 62.300 0.051 0.000 1.080 44 V CB 0.716 32.580 31.823 0.068 0.000 0.816 44 V HN 0.903 nan 8.190 nan 0.000 0.451 48 C N -0.345 118.927 119.300 -0.047 0.000 3.312 48 C HA 0.971 5.431 4.460 -0.000 0.000 0.332 48 C C -1.032 173.773 174.990 -0.309 0.000 1.340 48 C CA -0.880 57.979 59.018 -0.265 0.000 1.265 48 C CB 1.433 28.973 27.740 -0.333 0.000 1.563 48 C HN 1.260 nan 8.230 nan 0.000 0.471 49 R N 0.625 120.779 120.500 -0.577 0.000 2.500 49 R HA 0.849 5.189 4.340 -0.000 0.000 0.299 49 R C -1.831 174.085 176.300 -0.639 0.000 1.038 49 R CA -0.322 55.532 56.100 -0.409 0.000 0.903 49 R CB 0.616 30.760 30.300 -0.260 0.000 1.177 49 R HN 0.714 nan 8.270 nan 0.000 0.455 50 F N 3.294 123.169 119.950 -0.126 0.000 2.629 50 F HA 0.595 5.122 4.527 -0.000 0.000 0.316 50 F C -1.818 173.911 175.800 -0.118 0.000 1.081 50 F CA -2.432 55.487 58.000 -0.134 0.000 0.954 50 F CB 1.691 40.546 39.000 -0.241 0.000 1.337 50 F HN 0.388 nan 8.300 nan 0.000 0.474 51 P HA 0.246 nan 4.420 nan 0.000 0.270 51 P C 0.407 177.593 177.300 -0.190 0.000 1.227 51 P CA 1.083 64.201 63.100 0.030 0.000 0.788 51 P CB 0.497 32.260 31.700 0.105 0.000 0.926 52 G N 0.585 109.209 108.800 -0.294 0.000 2.157 52 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 52 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 52 G C 0.365 174.906 174.900 -0.599 0.000 0.979 52 G CA 0.293 44.905 45.100 -0.814 0.000 0.650 52 G HN 0.657 nan 8.290 nan 0.000 0.529 53 D N -1.700 118.533 120.400 -0.278 0.000 2.947 53 D HA -0.159 4.481 4.640 -0.000 0.000 0.224 53 D C 0.575 176.806 176.300 -0.116 0.000 1.132 53 D CA 1.077 54.988 54.000 -0.148 0.000 0.801 53 D CB -1.412 39.326 40.800 -0.103 0.000 1.097 53 D HN 0.855 nan 8.370 nan 0.000 0.431 54 V N 1.675 121.516 119.914 -0.121 0.000 2.583 54 V HA 0.250 4.370 4.120 -0.000 0.000 0.287 54 V C 1.186 177.287 176.094 0.013 0.000 1.051 54 V CA 0.889 63.188 62.300 -0.002 0.000 1.010 54 V CB 1.689 33.566 31.823 0.091 0.000 0.988 54 V HN 0.260 nan 8.190 nan 0.000 0.478 55 D N 0.946 121.375 120.400 0.050 0.000 2.563 55 D HA 0.181 4.821 4.640 -0.000 0.000 0.256 55 D C -0.076 176.267 176.300 0.072 0.000 1.400 55 D CA 0.238 54.257 54.000 0.031 0.000 0.800 55 D CB 0.411 41.232 40.800 0.036 0.000 1.145 55 D HN 0.598 nan 8.370 nan 0.000 0.501 56 S N -2.034 113.742 115.700 0.126 0.000 2.578 56 S HA 0.467 4.937 4.470 -0.000 0.000 0.272 56 S C -2.685 172.072 174.600 0.262 0.000 1.145 56 S CA -0.957 57.342 58.200 0.164 0.000 0.835 56 S CB 1.743 65.034 63.200 0.151 0.000 1.104 56 S HN -0.254 nan 8.310 nan 0.000 0.458 57 P HA -0.010 nan 4.420 nan 0.000 0.215 57 P C 1.907 179.428 177.300 0.368 0.000 1.153 57 P CA 2.637 65.959 63.100 0.369 0.000 0.853 57 P CB -0.340 31.524 31.700 0.272 0.000 0.788 58 E N 0.270 120.637 120.200 0.278 0.000 2.068 58 E HA -0.302 4.048 4.350 -0.000 0.000 0.207 58 E C 2.074 178.844 176.600 0.283 0.000 1.032 58 E CA 2.631 59.189 56.400 0.264 0.000 0.839 58 E CB -1.898 27.919 29.700 0.195 0.000 0.758 58 E HN 0.315 nan 8.360 nan 0.000 0.457 59 S N 0.158 116.012 115.700 0.257 0.000 2.348 59 S HA -0.068 4.402 4.470 -0.000 0.000 0.221 59 S C 1.885 176.695 174.600 0.350 0.000 1.033 59 S CA 1.164 59.511 58.200 0.244 0.000 1.010 59 S CB -0.573 62.737 63.200 0.184 0.000 0.891 59 S HN 0.556 nan 8.310 nan 0.000 0.442 60 F N 1.919 122.006 119.950 0.228 0.000 2.087 60 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 60 F C 2.139 178.109 175.800 0.283 0.000 1.100 60 F CA 1.165 59.327 58.000 0.269 0.000 1.226 60 F CB -0.782 38.404 39.000 0.311 0.000 0.983 60 F HN 0.384 nan 8.300 nan 0.000 0.479 61 W N 1.365 122.691 121.300 0.043 0.000 2.379 61 W HA -0.177 4.483 4.660 -0.000 0.000 0.307 61 W C 2.165 178.625 176.519 -0.099 0.000 1.200 61 W CA 1.640 58.900 57.345 -0.141 0.000 1.297 61 W CB -0.403 28.984 29.460 -0.123 0.000 1.140 61 W HN 0.029 nan 8.180 nan 0.000 0.507 62 E N 0.303 120.470 120.200 -0.054 0.000 2.086 62 E HA -0.285 4.065 4.350 -0.000 0.000 0.200 62 E C 1.939 178.452 176.600 -0.144 0.000 1.012 62 E CA 1.935 58.258 56.400 -0.129 0.000 0.812 62 E CB -1.097 28.637 29.700 0.056 0.000 0.743 62 E HN 0.282 nan 8.360 nan 0.000 0.453 63 F N 0.794 120.657 119.950 -0.145 0.000 2.134 63 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 63 F C 2.260 177.929 175.800 -0.219 0.000 1.097 63 F CA 0.962 58.897 58.000 -0.108 0.000 1.264 63 F CB -0.126 38.899 39.000 0.041 0.000 1.001 63 F HN -0.188 nan 8.300 nan 0.000 0.479 64 V N -0.490 119.228 119.914 -0.326 0.000 2.446 64 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 64 V C 2.286 178.007 176.094 -0.621 0.000 1.039 64 V CA 1.664 63.681 62.300 -0.472 0.000 1.045 64 V CB -0.725 30.809 31.823 -0.482 0.000 0.681 64 V HN 0.464 nan 8.190 nan 0.000 0.459 65 S N 0.577 115.739 115.700 -0.896 0.000 2.561 65 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 65 S C 1.853 176.140 174.600 -0.522 0.000 0.977 65 S CA 0.777 58.461 58.200 -0.860 0.000 0.926 65 S CB -0.048 62.350 63.200 -1.336 0.000 0.769 65 S HN 0.530 nan 8.310 nan 0.000 0.533 66 G N 1.185 109.712 108.800 -0.455 0.000 2.623 66 G HA2 0.398 4.358 3.960 -0.000 0.000 0.214 66 G HA3 0.398 4.358 3.960 -0.000 0.000 0.214 66 G C 1.010 175.716 174.900 -0.324 0.000 1.138 66 G CA 0.031 44.934 45.100 -0.327 0.000 0.794 66 G HN 1.345 nan 8.290 nan 0.000 0.535 67 G N -0.716 107.847 108.800 -0.396 0.000 2.255 67 G HA2 0.158 4.118 3.960 -0.000 0.000 0.239 67 G HA3 0.158 4.118 3.960 -0.000 0.000 0.239 67 G C 0.498 175.145 174.900 -0.422 0.000 1.083 67 G CA 0.031 44.916 45.100 -0.358 0.000 0.826 67 G HN 0.977 nan 8.290 nan 0.000 0.493 68 G N -0.349 108.035 108.800 -0.693 0.000 2.403 68 G HA2 0.503 4.463 3.960 -0.000 0.000 0.259 68 G HA3 0.503 4.463 3.960 -0.000 0.000 0.259 68 G C -0.518 174.013 174.900 -0.616 0.000 1.244 68 G CA 0.347 44.840 45.100 -1.010 0.000 0.849 68 G HN 0.416 nan 8.290 nan 0.000 0.532 69 D N 1.034 121.312 120.400 -0.202 0.000 2.462 69 D HA 0.458 5.098 4.640 -0.000 0.000 0.245 69 D C 0.680 177.134 176.300 0.256 0.000 1.122 69 D CA -0.510 53.536 54.000 0.077 0.000 0.864 69 D CB 1.385 42.247 40.800 0.104 0.000 1.098 69 D HN 0.305 nan 8.370 nan 0.000 0.541 70 A N 4.620 127.663 122.820 0.372 0.000 2.275 70 A HA 0.189 4.509 4.320 -0.000 0.000 0.212 70 A C 0.784 178.483 177.584 0.192 0.000 1.201 70 A CA -0.177 52.058 52.037 0.330 0.000 0.843 70 A CB -0.231 18.950 19.000 0.302 0.000 0.873 70 A HN 0.555 nan 8.150 nan 0.000 0.492 71 I N 0.713 121.386 120.570 0.172 0.000 2.648 71 I HA 0.443 4.613 4.170 -0.000 0.000 0.284 71 I C 0.646 176.824 176.117 0.102 0.000 1.153 71 I CA 0.138 61.517 61.300 0.132 0.000 1.426 71 I CB -0.086 37.981 38.000 0.112 0.000 1.381 71 I HN 0.334 nan 8.210 nan 0.000 0.571 72 A N 5.473 128.348 122.820 0.091 0.000 2.515 72 A HA 0.397 4.717 4.320 -0.000 0.000 0.292 72 A C -0.617 176.998 177.584 0.052 0.000 1.065 72 A CA -0.788 51.285 52.037 0.060 0.000 0.641 72 A CB 0.528 19.555 19.000 0.046 0.000 1.306 72 A HN 0.616 nan 8.150 nan 0.000 0.441 73 E N 0.430 120.640 120.200 0.017 0.000 2.442 73 E HA 0.354 4.704 4.350 -0.000 0.000 0.262 73 E C 0.591 177.168 176.600 -0.038 0.000 1.004 73 E CA 0.465 56.858 56.400 -0.012 0.000 0.928 73 E CB 0.763 30.443 29.700 -0.033 0.000 0.937 73 E HN 0.899 nan 8.360 nan 0.000 0.446 74 A N 4.748 127.526 122.820 -0.069 0.000 2.386 74 A HA 0.309 4.629 4.320 -0.000 0.000 0.248 74 A C -2.064 175.356 177.584 -0.272 0.000 1.082 74 A CA -1.224 50.712 52.037 -0.168 0.000 0.789 74 A CB -0.155 18.698 19.000 -0.245 0.000 1.025 74 A HN 0.379 nan 8.150 nan 0.000 0.490 75 P HA 0.331 nan 4.420 nan 0.000 0.272 75 P C 0.565 177.631 177.300 -0.390 0.000 1.223 75 P CA 0.267 63.176 63.100 -0.318 0.000 0.784 75 P CB 0.960 32.470 31.700 -0.316 0.000 0.923 76 A N 2.282 124.940 122.820 -0.270 0.000 1.968 76 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 76 A C 1.600 179.028 177.584 -0.259 0.000 1.169 76 A CA 1.493 53.395 52.037 -0.225 0.000 0.638 76 A CB -1.220 17.698 19.000 -0.137 0.000 0.812 76 A HN 0.638 nan 8.150 nan 0.000 0.446 77 D N 0.298 120.515 120.400 -0.306 0.000 2.271 77 D HA -0.222 4.418 4.640 -0.000 0.000 0.207 77 D C 1.570 177.599 176.300 -0.452 0.000 0.983 77 D CA 1.228 55.027 54.000 -0.334 0.000 0.878 77 D CB -0.591 39.997 40.800 -0.354 0.000 0.920 77 D HN 0.502 nan 8.370 nan 0.000 0.479 78 R N -0.357 119.806 120.500 -0.562 0.000 2.323 78 R HA 0.194 4.534 4.340 -0.000 0.000 0.198 78 R C 1.257 177.655 176.300 0.163 0.000 0.988 78 R CA 0.522 56.326 56.100 -0.493 0.000 1.041 78 R CB -0.230 29.749 30.300 -0.536 0.000 0.926 78 R HN 0.328 nan 8.270 nan 0.000 0.476 79 G N 1.254 110.098 108.800 0.073 0.000 2.272 79 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.280 79 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.280 79 G C -0.462 174.659 174.900 0.369 0.000 1.067 79 G CA -0.209 45.018 45.100 0.211 0.000 0.902 79 G HN 0.194 nan 8.290 nan 0.000 0.500 80 W N -0.422 120.913 121.300 0.058 0.000 2.183 80 W HA 0.629 5.289 4.660 0.000 0.000 0.348 80 W C 0.716 177.247 176.519 0.020 0.000 1.257 80 W CA -1.469 55.905 57.345 0.048 0.000 1.324 80 W CB 0.427 29.904 29.460 0.029 0.000 1.144 80 W HN 0.252 nan 8.180 nan 0.000 0.622 81 E N 2.076 122.404 120.200 0.214 0.000 2.324 81 E HA 0.190 4.540 4.350 -0.000 0.000 0.271 81 E C -2.073 174.590 176.600 0.106 0.000 1.028 81 E CA -1.611 54.855 56.400 0.110 0.000 0.890 81 E CB 0.108 29.834 29.700 0.043 0.000 1.004 81 E HN -0.092 nan 8.360 nan 0.000 0.431 82 P HA -0.007 nan 4.420 nan 0.000 0.266 82 P C -0.971 176.346 177.300 0.028 0.000 1.186 82 P CA 0.505 63.632 63.100 0.045 0.000 0.767 82 P CB 0.444 32.161 31.700 0.028 0.000 0.820 83 D N 1.659 122.068 120.400 0.014 0.000 2.756 83 D HA 0.169 4.809 4.640 -0.000 0.000 0.226 83 D C -1.522 174.774 176.300 -0.006 0.000 1.186 83 D CA -1.613 52.386 54.000 -0.001 0.000 0.845 83 D CB 1.845 42.635 40.800 -0.016 0.000 1.610 83 D HN 0.107 nan 8.370 nan 0.000 0.465 84 P HA -0.101 nan 4.420 nan 0.000 0.212 84 P C 0.252 177.546 177.300 -0.009 0.000 1.178 84 P CA 0.765 63.862 63.100 -0.005 0.000 0.915 84 P CB 0.005 31.704 31.700 -0.002 0.000 0.788 85 D N 0.616 121.010 120.400 -0.009 0.000 2.344 85 D HA 0.276 4.916 4.640 -0.000 0.000 0.253 85 D C -0.267 176.018 176.300 -0.026 0.000 1.255 85 D CA -0.213 53.781 54.000 -0.010 0.000 0.894 85 D CB 0.297 41.097 40.800 -0.000 0.000 1.067 85 D HN 0.149 nan 8.370 nan 0.000 0.492 86 A N 5.123 127.927 122.820 -0.027 0.000 2.520 86 A HA 0.133 4.453 4.320 -0.000 0.000 0.235 86 A C 0.566 178.103 177.584 -0.078 0.000 1.065 86 A CA -0.003 52.007 52.037 -0.045 0.000 0.764 86 A CB 0.338 19.320 19.000 -0.029 0.000 1.002 86 A HN 0.631 nan 8.150 nan 0.000 0.502 87 R N 1.773 122.182 120.500 -0.152 0.000 2.205 87 R HA 0.395 4.735 4.340 -0.000 0.000 0.342 87 R C -0.994 175.235 176.300 -0.117 0.000 1.058 87 R CA -0.052 55.838 56.100 -0.349 0.000 0.904 87 R CB 0.323 30.171 30.300 -0.752 0.000 1.089 87 R HN 0.619 nan 8.270 nan 0.000 0.471 88 L N 1.745 123.024 121.223 0.094 0.000 2.331 88 L HA 0.794 5.134 4.340 -0.000 0.000 0.275 88 L C 0.748 177.826 176.870 0.347 0.000 1.022 88 L CA -0.635 54.311 54.840 0.177 0.000 0.812 88 L CB 1.954 44.078 42.059 0.109 0.000 1.257 88 L HN 0.795 nan 8.230 nan 0.000 0.435 89 G N 0.489 109.448 108.800 0.264 0.000 2.317 89 G HA2 0.430 4.390 3.960 -0.000 0.000 0.293 89 G HA3 0.430 4.390 3.960 -0.000 0.000 0.293 89 G C -1.164 173.855 174.900 0.198 0.000 1.287 89 G CA -0.146 45.106 45.100 0.253 0.000 0.850 89 G HN 0.833 nan 8.290 nan 0.000 0.515 93 A N 2.889 125.680 122.820 -0.049 0.000 1.842 93 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 93 A C 0.991 178.522 177.584 -0.088 0.000 1.206 93 A CA 1.969 53.967 52.037 -0.066 0.000 0.630 93 A CB -0.383 18.584 19.000 -0.055 0.000 0.839 93 A HN 1.280 nan 8.150 nan 0.000 0.447 94 A N -1.852 120.927 122.820 -0.069 0.000 3.105 94 A HA 0.662 4.982 4.320 -0.000 0.000 0.336 94 A C 0.995 178.554 177.584 -0.043 0.000 1.042 94 A CA 0.585 52.577 52.037 -0.075 0.000 0.851 94 A CB -0.045 18.924 19.000 -0.050 0.000 1.068 94 A HN 1.151 nan 8.150 nan 0.000 0.477 95 A N 0.570 123.357 122.820 -0.056 0.000 1.972 95 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 95 A C 1.855 179.523 177.584 0.140 0.000 1.169 95 A CA 1.857 53.916 52.037 0.036 0.000 0.635 95 A CB -0.324 18.721 19.000 0.075 0.000 0.810 95 A HN 1.193 nan 8.150 nan 0.000 0.446 96 G N -0.799 108.068 108.800 0.111 0.000 3.314 96 G HA2 0.335 4.295 3.960 -0.000 0.000 0.238 96 G HA3 0.335 4.295 3.960 -0.000 0.000 0.238 96 G C -0.671 174.358 174.900 0.214 0.000 1.184 96 G CA -0.057 45.237 45.100 0.323 0.000 0.806 96 G HN 0.326 nan 8.290 nan 0.000 0.536 97 D N -0.107 120.374 120.400 0.135 0.000 2.193 97 D HA 0.623 5.263 4.640 -0.000 0.000 0.244 97 D C -1.155 175.292 176.300 0.245 0.000 1.064 97 D CA -0.156 53.918 54.000 0.123 0.000 0.845 97 D CB 1.814 42.641 40.800 0.045 0.000 1.148 97 D HN 0.001 nan 8.370 nan 0.000 0.464 98 F N 1.512 121.512 119.950 0.083 0.000 2.641 98 F HA 0.252 4.779 4.527 -0.000 0.000 0.308 98 F C -1.525 174.369 175.800 0.156 0.000 1.105 98 F CA -1.172 56.888 58.000 0.099 0.000 0.964 98 F CB 1.936 41.042 39.000 0.177 0.000 1.294 98 F HN 0.056 nan 8.300 nan 0.000 0.442 99 D N 3.823 123.918 120.400 -0.509 0.000 2.499 99 D HA 0.462 5.102 4.640 -0.000 0.000 0.225 99 D C 0.772 176.601 176.300 -0.785 0.000 1.124 99 D CA 0.409 54.172 54.000 -0.394 0.000 0.938 99 D CB 1.261 42.012 40.800 -0.083 0.000 1.014 99 D HN 0.704 nan 8.370 nan 0.000 0.517 100 A N 2.862 125.313 122.820 -0.615 0.000 1.877 100 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 100 A C 2.085 179.585 177.584 -0.140 0.000 1.186 100 A CA 1.745 53.540 52.037 -0.403 0.000 0.620 100 A CB -0.871 18.081 19.000 -0.080 0.000 0.822 100 A HN 0.553 nan 8.150 nan 0.000 0.443 101 G N -1.396 107.344 108.800 -0.099 0.000 2.440 101 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 101 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 101 G C 1.452 176.239 174.900 -0.189 0.000 1.154 101 G CA 1.124 46.167 45.100 -0.095 0.000 0.767 101 G HN 0.501 nan 8.290 nan 0.000 0.552 102 F N 0.586 120.283 119.950 -0.422 0.000 2.192 102 F HA -0.017 4.510 4.527 -0.000 0.000 0.301 102 F C 1.385 176.655 175.800 -0.883 0.000 1.079 102 F CA 1.103 58.644 58.000 -0.766 0.000 1.303 102 F CB 0.012 38.449 39.000 -0.938 0.000 1.024 102 F HN 0.124 nan 8.300 nan 0.000 0.494 103 F N 0.088 119.929 119.950 -0.181 0.000 2.647 103 F HA 0.362 4.889 4.527 -0.000 0.000 0.300 103 F C 1.524 177.268 175.800 -0.092 0.000 1.106 103 F CA 0.223 58.148 58.000 -0.124 0.000 1.313 103 F CB -0.063 38.970 39.000 0.055 0.000 1.007 103 F HN -0.018 nan 8.300 nan 0.000 0.536 104 G N 1.798 110.576 108.800 -0.036 0.000 2.305 104 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.287 104 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.287 104 G C 0.016 174.950 174.900 0.057 0.000 1.036 104 G CA -0.011 45.083 45.100 -0.010 0.000 0.887 104 G HN 0.397 nan 8.290 nan 0.000 0.505 105 I N 1.399 122.012 120.570 0.071 0.000 2.336 105 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 105 I C 1.200 177.297 176.117 -0.034 0.000 0.991 105 I CA -0.424 60.906 61.300 0.050 0.000 1.227 105 I CB 1.632 39.708 38.000 0.126 0.000 1.366 105 I HN 0.358 nan 8.210 nan 0.000 0.466 106 S N 7.492 123.143 115.700 -0.081 0.000 2.568 106 S HA 0.185 4.655 4.470 -0.000 0.000 0.282 106 S C -1.432 173.053 174.600 -0.192 0.000 1.338 106 S CA -0.929 57.204 58.200 -0.111 0.000 1.045 106 S CB 0.657 63.786 63.200 -0.119 0.000 0.873 106 S HN 0.501 nan 8.310 nan 0.000 0.516 107 P HA -0.165 nan 4.420 nan 0.000 0.219 107 P C 1.423 178.600 177.300 -0.205 0.000 1.146 107 P CA 1.022 64.023 63.100 -0.166 0.000 0.808 107 P CB 0.057 31.813 31.700 0.092 0.000 0.779 108 R N 0.568 120.956 120.500 -0.187 0.000 2.062 108 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 108 R C 2.474 178.527 176.300 -0.412 0.000 1.136 108 R CA 1.782 57.755 56.100 -0.210 0.000 0.948 108 R CB -0.445 29.760 30.300 -0.158 0.000 0.845 108 R HN 0.133 nan 8.270 nan 0.000 0.430 109 E N -0.209 119.564 120.200 -0.712 0.000 2.072 109 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 109 E C 1.766 178.126 176.600 -0.400 0.000 0.985 109 E CA 1.107 57.016 56.400 -0.818 0.000 0.801 109 E CB -0.099 29.093 29.700 -0.847 0.000 0.750 109 E HN 0.433 nan 8.360 nan 0.000 0.452 110 A N 1.099 123.679 122.820 -0.399 0.000 1.940 110 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 110 A C 2.168 179.530 177.584 -0.370 0.000 1.176 110 A CA 1.455 53.222 52.037 -0.450 0.000 0.631 110 A CB -0.747 17.754 19.000 -0.832 0.000 0.814 110 A HN 0.420 nan 8.150 nan 0.000 0.446 111 L N -0.980 120.088 121.223 -0.259 0.000 2.131 111 L HA 0.106 4.446 4.340 -0.000 0.000 0.210 111 L C 1.501 178.415 176.870 0.073 0.000 1.092 111 L CA 1.392 56.242 54.840 0.016 0.000 0.759 111 L CB -0.520 41.582 42.059 0.071 0.000 0.903 111 L HN 0.420 nan 8.230 nan 0.000 0.435 115 P HA -0.150 nan 4.420 nan 0.000 0.221 115 P C 1.150 178.309 177.300 -0.234 0.000 1.145 115 P CA 1.140 64.039 63.100 -0.333 0.000 0.795 115 P CB 0.465 32.114 31.700 -0.085 0.000 0.775 116 Q N -0.172 119.514 119.800 -0.191 0.000 2.124 116 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 116 Q C 2.420 178.311 176.000 -0.183 0.000 0.977 116 Q CA 1.279 57.000 55.803 -0.137 0.000 0.850 116 Q CB -0.456 28.234 28.738 -0.080 0.000 0.901 116 Q HN 0.438 nan 8.270 nan 0.000 0.429 117 Q N 0.164 119.819 119.800 -0.242 0.000 2.119 117 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 117 Q C 2.059 177.841 176.000 -0.364 0.000 0.972 117 Q CA 1.001 56.648 55.803 -0.260 0.000 0.847 117 Q CB 0.106 28.685 28.738 -0.264 0.000 0.903 117 Q HN 0.295 nan 8.270 nan 0.000 0.433 118 R N 0.121 120.307 120.500 -0.523 0.000 2.057 118 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 118 R C 1.207 177.269 176.300 -0.397 0.000 1.136 118 R CA 0.411 56.024 56.100 -0.811 0.000 0.952 118 R CB -0.318 29.258 30.300 -1.206 0.000 0.848 118 R HN 0.146 nan 8.270 nan 0.000 0.430 122 E N 1.470 121.613 120.200 -0.095 0.000 2.038 122 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 122 E C 1.975 178.660 176.600 0.142 0.000 1.000 122 E CA 2.220 58.542 56.400 -0.131 0.000 0.803 122 E CB -0.053 29.370 29.700 -0.462 0.000 0.750 122 E HN 0.658 nan 8.360 nan 0.000 0.448 123 I N -1.278 119.342 120.570 0.083 0.000 2.617 123 I HA -0.090 4.080 4.170 -0.000 0.000 0.256 123 I C 2.120 178.339 176.117 0.170 0.000 1.167 123 I CA 0.724 62.100 61.300 0.127 0.000 1.469 123 I CB -0.057 37.957 38.000 0.023 0.000 1.098 123 I HN -0.148 nan 8.210 nan 0.000 0.436 124 S N 1.032 116.831 115.700 0.166 0.000 2.359 124 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 124 S C 1.601 176.355 174.600 0.256 0.000 1.035 124 S CA 1.734 60.038 58.200 0.173 0.000 1.018 124 S CB -0.678 62.616 63.200 0.157 0.000 0.876 124 S HN 0.716 nan 8.310 nan 0.000 0.448 125 W N 2.542 123.976 121.300 0.224 0.000 2.355 125 W HA -0.133 4.527 4.660 -0.000 0.000 0.309 125 W C 1.838 178.497 176.519 0.235 0.000 1.206 125 W CA 1.567 59.087 57.345 0.291 0.000 1.284 125 W CB -0.322 29.414 29.460 0.461 0.000 1.145 125 W HN 0.459 nan 8.180 nan 0.000 0.502 126 E N 0.202 120.686 120.200 0.473 0.000 2.106 126 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 126 E C 2.371 179.076 176.600 0.175 0.000 0.984 126 E CA 1.147 57.748 56.400 0.334 0.000 0.806 126 E CB -0.502 29.389 29.700 0.318 0.000 0.750 126 E HN 0.186 nan 8.360 nan 0.000 0.458 127 A N 1.531 124.438 122.820 0.145 0.000 1.883 127 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 127 A C 2.230 179.844 177.584 0.050 0.000 1.186 127 A CA 1.263 53.354 52.037 0.090 0.000 0.624 127 A CB -0.710 18.338 19.000 0.080 0.000 0.822 127 A HN 0.131 nan 8.150 nan 0.000 0.444 128 L N -0.924 120.295 121.223 -0.007 0.000 2.056 128 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 128 L C 2.590 179.439 176.870 -0.036 0.000 1.078 128 L CA 1.543 56.337 54.840 -0.078 0.000 0.749 128 L CB -0.575 41.343 42.059 -0.235 0.000 0.901 128 L HN 0.455 nan 8.230 nan 0.000 0.433 129 E N 0.004 120.167 120.200 -0.061 0.000 2.085 129 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 129 E C 2.336 178.952 176.600 0.026 0.000 0.994 129 E CA 1.068 57.462 56.400 -0.010 0.000 0.801 129 E CB -0.029 29.707 29.700 0.061 0.000 0.743 129 E HN 0.428 nan 8.360 nan 0.000 0.453 130 R N 0.204 120.734 120.500 0.050 0.000 2.148 130 R HA 0.031 4.371 4.340 -0.000 0.000 0.223 130 R C 2.005 178.334 176.300 0.048 0.000 1.088 130 R CA 0.810 56.939 56.100 0.048 0.000 0.985 130 R CB -0.069 30.271 30.300 0.067 0.000 0.880 130 R HN 0.033 nan 8.270 nan 0.000 0.451 131 A N 0.419 123.287 122.820 0.080 0.000 2.255 131 A HA 0.184 4.504 4.320 -0.000 0.000 0.206 131 A C 1.461 179.091 177.584 0.077 0.000 1.193 131 A CA 0.905 53.013 52.037 0.118 0.000 0.794 131 A CB -0.376 18.740 19.000 0.194 0.000 0.794 131 A HN 0.489 nan 8.150 nan 0.000 0.481 132 G N -1.509 107.293 108.800 0.004 0.000 2.241 132 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 132 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 132 G C 0.220 175.021 174.900 -0.165 0.000 0.998 132 G CA 0.259 45.293 45.100 -0.110 0.000 0.621 132 G HN 0.725 nan 8.290 nan 0.000 0.519 133 H N 1.174 120.190 119.070 -0.090 0.000 2.562 133 H HA 0.376 4.932 4.556 -0.000 0.000 0.352 133 H C -0.428 174.809 175.328 -0.151 0.000 1.125 133 H CA 0.301 56.280 56.048 -0.115 0.000 1.379 133 H CB 1.433 31.121 29.762 -0.124 0.000 1.464 133 H HN 0.268 nan 8.280 nan 0.000 0.563 134 D N 3.880 124.256 120.400 -0.039 0.000 2.352 134 D HA 0.068 4.708 4.640 -0.000 0.000 0.245 134 D C -1.730 174.484 176.300 -0.143 0.000 1.224 134 D CA -2.261 51.683 54.000 -0.094 0.000 0.879 134 D CB 1.086 41.828 40.800 -0.098 0.000 1.057 134 D HN 0.181 nan 8.370 nan 0.000 0.491 135 P HA -0.204 nan 4.420 nan 0.000 0.217 135 P C 1.608 178.754 177.300 -0.257 0.000 1.151 135 P CA 0.637 63.436 63.100 -0.502 0.000 0.849 135 P CB 0.229 31.085 31.700 -1.407 0.000 0.787 136 V N 0.545 120.382 119.914 -0.127 0.000 2.380 136 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 136 V C 2.420 178.497 176.094 -0.029 0.000 1.063 136 V CA 2.482 64.785 62.300 0.005 0.000 1.055 136 V CB -1.810 29.998 31.823 -0.024 0.000 0.657 136 V HN 0.327 nan 8.190 nan 0.000 0.455 137 S N -0.524 115.147 115.700 -0.049 0.000 2.555 137 S HA 0.056 4.526 4.470 -0.000 0.000 0.230 137 S C 1.455 176.046 174.600 -0.014 0.000 0.978 137 S CA 0.709 58.894 58.200 -0.025 0.000 0.934 137 S CB -0.512 62.678 63.200 -0.017 0.000 0.766 137 S HN 0.583 nan 8.310 nan 0.000 0.533 138 L N 0.853 122.053 121.223 -0.037 0.000 2.627 138 L HA 0.268 4.608 4.340 -0.000 0.000 0.232 138 L C 0.712 177.568 176.870 -0.025 0.000 1.150 138 L CA -0.221 54.593 54.840 -0.043 0.000 0.917 138 L CB -0.183 41.810 42.059 -0.109 0.000 1.104 138 L HN 0.119 nan 8.230 nan 0.000 0.445 139 R N 0.211 120.705 120.500 -0.010 0.000 2.389 139 R HA 0.337 4.677 4.340 -0.000 0.000 0.295 139 R C 1.190 177.489 176.300 -0.002 0.000 1.075 139 R CA 0.540 56.640 56.100 -0.001 0.000 1.005 139 R CB 0.581 30.885 30.300 0.006 0.000 0.987 139 R HN 0.238 nan 8.270 nan 0.000 0.452 140 G N 1.558 110.358 108.800 -0.000 0.000 2.184 140 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 140 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 140 G C 0.204 175.106 174.900 0.003 0.000 0.975 140 G CA 0.481 45.583 45.100 0.003 0.000 0.642 140 G HN 0.703 nan 8.290 nan 0.000 0.536 141 S N -0.284 115.415 115.700 -0.002 0.000 2.603 141 S HA 0.684 5.154 4.470 -0.000 0.000 0.268 141 S C 0.572 175.171 174.600 -0.001 0.000 1.317 141 S CA 0.360 58.559 58.200 -0.001 0.000 1.012 141 S CB 2.013 65.207 63.200 -0.010 0.000 0.926 141 S HN 1.820 nan 8.310 nan 0.000 0.539 142 A N 2.371 125.194 122.820 0.005 0.000 2.922 142 A HA 0.528 4.848 4.320 -0.000 0.000 0.298 142 A C 0.199 177.789 177.584 0.010 0.000 1.588 142 A CA -0.544 51.498 52.037 0.009 0.000 1.288 142 A CB -1.005 18.005 19.000 0.016 0.000 1.130 142 A HN 0.745 nan 8.150 nan 0.000 0.557 143 T N 1.022 115.575 114.554 -0.001 0.000 2.841 143 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 143 T C 0.495 175.191 174.700 -0.006 0.000 1.000 143 T CA -0.071 62.029 62.100 0.000 0.000 0.977 143 T CB 1.801 70.651 68.868 -0.029 0.000 0.979 143 T HN 0.701 nan 8.240 nan 0.000 0.446 144 G N 0.808 109.629 108.800 0.035 0.000 2.389 144 G HA2 0.583 4.543 3.960 -0.000 0.000 0.317 144 G HA3 0.583 4.543 3.960 -0.000 0.000 0.317 144 G C -0.995 173.823 174.900 -0.136 0.000 1.137 144 G CA -0.513 44.555 45.100 -0.053 0.000 0.870 144 G HN 0.658 nan 8.290 nan 0.000 0.496 145 V N 1.501 121.154 119.914 -0.435 0.000 2.409 145 V HA 0.444 4.564 4.120 -0.000 0.000 0.290 145 V C -1.200 174.580 176.094 -0.524 0.000 1.017 145 V CA -0.636 61.489 62.300 -0.292 0.000 0.841 145 V CB 0.714 32.450 31.823 -0.145 0.000 1.003 145 V HN 0.564 nan 8.190 nan 0.000 0.426 146 F N 2.031 121.989 119.950 0.014 0.000 2.460 146 F HA 0.708 5.235 4.527 -0.000 0.000 0.341 146 F C 0.518 176.330 175.800 0.021 0.000 1.130 146 F CA -0.460 57.550 58.000 0.017 0.000 0.962 146 F CB 2.227 41.237 39.000 0.018 0.000 1.171 146 F HN 0.317 nan 8.300 nan 0.000 0.436 147 T N 1.665 116.306 114.554 0.145 0.000 2.861 147 T HA 0.555 4.905 4.350 -0.000 0.000 0.287 147 T C 0.065 174.817 174.700 0.087 0.000 1.003 147 T CA -0.959 61.198 62.100 0.094 0.000 0.977 147 T CB 1.815 70.706 68.868 0.038 0.000 0.996 147 T HN 0.784 nan 8.240 nan 0.000 0.448 148 G N 1.866 110.715 108.800 0.082 0.000 2.457 148 G HA2 0.528 4.488 3.960 -0.000 0.000 0.316 148 G HA3 0.528 4.488 3.960 -0.000 0.000 0.316 148 G C -0.524 174.409 174.900 0.055 0.000 1.030 148 G CA -0.274 44.870 45.100 0.074 0.000 1.073 148 G HN 0.639 nan 8.290 nan 0.000 0.430 149 V N 2.568 122.509 119.914 0.045 0.000 2.513 149 V HA 0.719 4.839 4.120 -0.000 0.000 0.299 149 V C 1.033 177.150 176.094 0.038 0.000 1.035 149 V CA 0.104 62.424 62.300 0.033 0.000 0.889 149 V CB 1.465 33.297 31.823 0.015 0.000 0.988 149 V HN 0.714 nan 8.190 nan 0.000 0.440 150 G N 2.356 111.181 108.800 0.041 0.000 2.992 150 G HA2 0.184 4.144 3.960 -0.000 0.000 0.195 150 G HA3 0.184 4.144 3.960 -0.000 0.000 0.195 150 G C 0.555 175.473 174.900 0.031 0.000 2.032 150 G CA 0.596 45.719 45.100 0.039 0.000 0.831 150 G HN 0.697 nan 8.290 nan 0.000 0.647 151 T N -0.439 114.135 114.554 0.034 0.000 2.913 151 T HA 0.425 4.774 4.350 -0.000 0.000 0.297 151 T C -0.707 174.012 174.700 0.032 0.000 1.029 151 T CA -0.309 61.809 62.100 0.029 0.000 1.104 151 T CB 0.950 69.838 68.868 0.032 0.000 0.964 151 T HN 0.224 nan 8.240 nan 0.000 0.532 152 V N 6.075 126.004 119.914 0.026 0.000 2.357 152 V HA 0.336 4.456 4.120 -0.000 0.000 0.281 152 V C -0.072 176.046 176.094 0.040 0.000 1.015 152 V CA -0.689 61.629 62.300 0.030 0.000 0.827 152 V CB 1.355 33.186 31.823 0.013 0.000 1.018 152 V HN 1.034 nan 8.190 nan 0.000 0.432 153 D N 2.206 122.646 120.400 0.066 0.000 2.571 153 D HA 0.002 4.642 4.640 -0.000 0.000 0.239 153 D C 0.766 177.103 176.300 0.061 0.000 1.267 153 D CA -0.330 53.702 54.000 0.053 0.000 0.823 153 D CB 0.183 41.009 40.800 0.044 0.000 1.056 153 D HN 0.418 nan 8.370 nan 0.000 0.494 154 Y N 1.792 122.046 120.300 -0.076 0.000 2.134 154 Y HA 0.248 4.798 4.550 -0.000 0.000 0.283 154 Y C 1.557 177.348 175.900 -0.182 0.000 1.108 154 Y CA 1.398 59.401 58.100 -0.160 0.000 1.096 154 Y CB -0.583 37.746 38.460 -0.218 0.000 1.005 154 Y HN 0.024 nan 8.280 nan 0.000 0.487 155 G N 0.971 109.561 108.800 -0.349 0.000 2.570 155 G HA2 0.328 4.288 3.960 -0.000 0.000 0.276 155 G HA3 0.328 4.288 3.960 -0.000 0.000 0.276 155 G C -2.499 172.214 174.900 -0.312 0.000 1.346 155 G CA -0.831 43.971 45.100 -0.498 0.000 1.034 155 G HN 0.264 nan 8.290 nan 0.000 0.512 156 P HA 0.286 nan 4.420 nan 0.000 0.278 156 P C -0.285 176.963 177.300 -0.087 0.000 1.258 156 P CA -0.643 62.379 63.100 -0.131 0.000 0.811 156 P CB 1.163 32.799 31.700 -0.106 0.000 1.063 157 R N 1.095 121.559 120.500 -0.060 0.000 2.738 157 R HA 0.088 4.428 4.340 -0.000 0.000 0.268 157 R C -1.452 174.828 176.300 -0.034 0.000 1.062 157 R CA -1.103 54.972 56.100 -0.041 0.000 1.158 157 R CB -0.809 29.471 30.300 -0.034 0.000 1.046 157 R HN 0.367 nan 8.270 nan 0.000 0.493 158 P HA -0.168 nan 4.420 nan 0.000 0.219 158 P C 0.039 177.327 177.300 -0.019 0.000 1.146 158 P CA 1.303 64.391 63.100 -0.020 0.000 0.808 158 P CB 0.143 31.831 31.700 -0.020 0.000 0.779 159 D N -0.409 119.979 120.400 -0.020 0.000 2.317 159 D HA -0.112 4.528 4.640 -0.000 0.000 0.211 159 D C 1.290 177.579 176.300 -0.017 0.000 0.966 159 D CA 0.778 54.767 54.000 -0.017 0.000 0.876 159 D CB -0.474 40.316 40.800 -0.017 0.000 0.927 159 D HN 0.482 nan 8.370 nan 0.000 0.519 160 E N 0.189 120.377 120.200 -0.021 0.000 2.603 160 E HA 0.417 4.767 4.350 -0.000 0.000 0.211 160 E C 0.084 176.670 176.600 -0.023 0.000 0.995 160 E CA -0.482 55.906 56.400 -0.021 0.000 0.990 160 E CB 0.601 30.286 29.700 -0.025 0.000 1.036 160 E HN 0.043 nan 8.360 nan 0.000 0.475 161 A N 2.567 125.374 122.820 -0.021 0.000 2.327 161 A HA 0.467 4.787 4.320 -0.000 0.000 0.283 161 A C -2.336 175.245 177.584 -0.005 0.000 1.127 161 A CA -1.530 50.496 52.037 -0.019 0.000 0.810 161 A CB -0.006 18.984 19.000 -0.016 0.000 1.066 161 A HN 0.002 nan 8.150 nan 0.000 0.492 162 P HA 0.023 nan 4.420 nan 0.000 0.262 162 P C -0.144 177.168 177.300 0.020 0.000 1.182 162 P CA 0.514 63.621 63.100 0.013 0.000 0.761 162 P CB 0.424 32.136 31.700 0.021 0.000 0.795 163 D N 1.245 121.655 120.400 0.018 0.000 2.350 163 D HA -0.167 4.473 4.640 -0.000 0.000 0.216 163 D C 1.090 177.410 176.300 0.033 0.000 0.968 163 D CA 0.773 54.785 54.000 0.019 0.000 0.894 163 D CB -0.353 40.454 40.800 0.011 0.000 0.909 163 D HN 0.294 nan 8.370 nan 0.000 0.520 164 E N -0.124 120.100 120.200 0.040 0.000 2.338 164 E HA -0.048 4.302 4.350 -0.000 0.000 0.197 164 E C 0.953 177.606 176.600 0.087 0.000 1.007 164 E CA 0.326 56.760 56.400 0.056 0.000 0.849 164 E CB 0.436 30.165 29.700 0.050 0.000 0.774 164 E HN 0.272 nan 8.360 nan 0.000 0.506 165 V N 0.835 120.802 119.914 0.088 0.000 3.159 165 V HA 0.104 4.224 4.120 -0.000 0.000 0.333 165 V C 1.467 177.650 176.094 0.149 0.000 1.424 165 V CA 0.041 62.424 62.300 0.139 0.000 1.125 165 V CB 0.144 32.020 31.823 0.087 0.000 1.075 165 V HN 0.149 nan 8.190 nan 0.000 0.482 166 L N 0.162 121.433 121.223 0.079 0.000 2.156 166 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 166 L C 2.343 179.193 176.870 -0.033 0.000 1.095 166 L CA 1.752 56.605 54.840 0.020 0.000 0.770 166 L CB -0.329 41.729 42.059 -0.001 0.000 0.914 166 L HN 0.506 nan 8.230 nan 0.000 0.439 167 G N -1.345 107.393 108.800 -0.104 0.000 2.498 167 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 167 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 167 G C 0.661 175.294 174.900 -0.446 0.000 1.119 167 G CA 0.514 45.404 45.100 -0.349 0.000 0.766 167 G HN 0.481 nan 8.290 nan 0.000 0.552 168 Y N -0.855 119.429 120.300 -0.027 0.000 2.682 168 Y HA 0.333 4.883 4.550 0.000 0.000 0.251 168 Y C 1.826 177.708 175.900 -0.031 0.000 1.172 168 Y CA -0.639 57.440 58.100 -0.034 0.000 1.186 168 Y CB 0.444 38.883 38.460 -0.036 0.000 1.216 168 Y HN -0.019 nan 8.280 nan 0.000 0.540 169 V N -0.194 119.772 119.914 0.086 0.000 2.255 169 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 169 V C 2.392 178.503 176.094 0.028 0.000 1.038 169 V CA 2.417 64.748 62.300 0.052 0.000 1.008 169 V CB -0.953 30.882 31.823 0.019 0.000 0.645 169 V HN 0.565 nan 8.190 nan 0.000 0.449 170 G N -0.764 108.037 108.800 0.003 0.000 2.414 170 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 170 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 170 G C 1.669 176.560 174.900 -0.014 0.000 1.188 170 G CA 1.516 46.609 45.100 -0.011 0.000 0.783 170 G HN 0.408 nan 8.290 nan 0.000 0.537 171 T N 0.788 115.332 114.554 -0.017 0.000 2.656 171 T HA -0.231 4.119 4.350 -0.000 0.000 0.262 171 T C 2.257 176.947 174.700 -0.016 0.000 1.070 171 T CA 2.153 64.244 62.100 -0.015 0.000 1.160 171 T CB -0.631 68.249 68.868 0.020 0.000 0.855 171 T HN 0.424 nan 8.240 nan 0.000 0.456 172 G N -0.356 108.445 108.800 0.002 0.000 2.880 172 G HA2 0.041 4.001 3.960 -0.000 0.000 0.209 172 G HA3 0.041 4.001 3.960 -0.000 0.000 0.209 172 G C 1.492 176.363 174.900 -0.047 0.000 1.157 172 G CA 1.096 46.176 45.100 -0.033 0.000 0.779 172 G HN 0.629 nan 8.290 nan 0.000 0.539 173 T N -1.366 113.178 114.554 -0.016 0.000 3.000 173 T HA 0.487 4.837 4.350 -0.000 0.000 0.248 173 T C 1.470 176.155 174.700 -0.025 0.000 1.034 173 T CA 0.350 62.442 62.100 -0.013 0.000 1.060 173 T CB 0.197 69.076 68.868 0.018 0.000 0.983 173 T HN 0.336 nan 8.240 nan 0.000 0.482 174 A N 2.333 125.137 122.820 -0.027 0.000 2.572 174 A HA 0.280 4.600 4.320 -0.000 0.000 0.256 174 A C 1.820 179.384 177.584 -0.033 0.000 1.041 174 A CA 0.588 52.608 52.037 -0.028 0.000 0.790 174 A CB -0.222 18.759 19.000 -0.031 0.000 0.947 174 A HN 0.429 nan 8.150 nan 0.000 0.518 175 S N 2.435 118.121 115.700 -0.024 0.000 2.442 175 S HA -0.142 4.328 4.470 -0.000 0.000 0.236 175 S C 1.927 176.513 174.600 -0.024 0.000 1.007 175 S CA 1.748 59.935 58.200 -0.022 0.000 0.965 175 S CB -0.487 62.708 63.200 -0.009 0.000 0.773 175 S HN 1.131 nan 8.310 nan 0.000 0.504 176 S N 0.792 116.478 115.700 -0.024 0.000 2.402 176 S HA 0.001 4.471 4.470 -0.000 0.000 0.229 176 S C 1.614 176.192 174.600 -0.037 0.000 1.021 176 S CA 1.086 59.270 58.200 -0.027 0.000 0.974 176 S CB -0.596 62.588 63.200 -0.026 0.000 0.800 176 S HN 0.412 nan 8.310 nan 0.000 0.484 177 V N 1.875 121.763 119.914 -0.043 0.000 3.461 177 V HA 0.156 4.276 4.120 -0.000 0.000 0.267 177 V C 2.586 178.643 176.094 -0.061 0.000 1.186 177 V CA 0.824 63.092 62.300 -0.052 0.000 1.154 177 V CB -1.173 30.615 31.823 -0.059 0.000 0.802 177 V HN 0.591 nan 8.190 nan 0.000 0.474 178 A N -0.488 122.296 122.820 -0.060 0.000 2.125 178 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 178 A C 2.390 179.944 177.584 -0.050 0.000 1.156 178 A CA 2.174 54.172 52.037 -0.065 0.000 0.671 178 A CB -0.164 18.805 19.000 -0.051 0.000 0.794 178 A HN 0.509 nan 8.150 nan 0.000 0.459 179 S N -1.700 113.974 115.700 -0.043 0.000 2.748 179 S HA 0.214 4.684 4.470 -0.000 0.000 0.241 179 S C 2.111 176.690 174.600 -0.034 0.000 1.064 179 S CA 0.386 58.558 58.200 -0.046 0.000 0.892 179 S CB -0.614 62.546 63.200 -0.066 0.000 0.810 179 S HN 0.644 nan 8.310 nan 0.000 0.555 180 G N 2.244 111.025 108.800 -0.031 0.000 2.505 180 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 180 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 180 G C 1.374 176.297 174.900 0.039 0.000 1.145 180 G CA 1.135 46.230 45.100 -0.009 0.000 0.761 180 G HN 0.358 nan 8.290 nan 0.000 0.571 181 R N -0.355 120.157 120.500 0.021 0.000 2.066 181 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 181 R C 2.770 179.133 176.300 0.105 0.000 1.131 181 R CA 1.306 57.448 56.100 0.070 0.000 0.955 181 R CB -0.408 29.888 30.300 -0.006 0.000 0.851 181 R HN 0.284 nan 8.270 nan 0.000 0.432 182 V N 1.054 120.992 119.914 0.040 0.000 2.332 182 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 182 V C 2.461 178.610 176.094 0.093 0.000 1.055 182 V CA 2.050 64.386 62.300 0.059 0.000 1.038 182 V CB -0.724 31.117 31.823 0.030 0.000 0.651 182 V HN 0.523 nan 8.190 nan 0.000 0.450 183 A N -0.998 121.864 122.820 0.071 0.000 1.902 183 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 183 A C 2.165 179.814 177.584 0.109 0.000 1.181 183 A CA 2.105 54.181 52.037 0.065 0.000 0.623 183 A CB -0.792 18.225 19.000 0.029 0.000 0.818 183 A HN 0.648 nan 8.150 nan 0.000 0.443 184 Y N 0.132 120.449 120.300 0.028 0.000 2.145 184 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 184 Y C 2.586 178.535 175.900 0.082 0.000 1.145 184 Y CA 1.597 59.722 58.100 0.043 0.000 1.148 184 Y CB -0.900 37.579 38.460 0.031 0.000 0.981 184 Y HN 0.365 nan 8.280 nan 0.000 0.507 185 C N 0.365 119.681 119.300 0.026 0.000 2.446 185 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 185 C C 2.450 177.497 174.990 0.095 0.000 1.275 185 C CA 1.131 60.165 59.018 0.027 0.000 1.727 185 C CB -1.333 26.561 27.740 0.256 0.000 2.010 185 C HN 0.557 nan 8.230 nan 0.000 0.486 186 L N 0.623 121.940 121.223 0.157 0.000 2.629 186 L HA 0.221 4.561 4.340 -0.000 0.000 0.230 186 L C 1.705 178.611 176.870 0.061 0.000 1.151 186 L CA 0.783 55.728 54.840 0.176 0.000 0.924 186 L CB -1.254 40.925 42.059 0.198 0.000 1.137 186 L HN 0.524 nan 8.230 nan 0.000 0.457 187 G N 1.518 110.319 108.800 0.001 0.000 2.283 187 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 187 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 187 G C 0.262 175.165 174.900 0.006 0.000 1.029 187 G CA 0.118 45.209 45.100 -0.015 0.000 0.840 187 G HN 0.339 nan 8.290 nan 0.000 0.505 188 L N -1.163 120.068 121.223 0.015 0.000 2.397 188 L HA 0.428 4.768 4.340 -0.000 0.000 0.271 188 L C 1.324 178.196 176.870 0.003 0.000 1.148 188 L CA -0.073 54.769 54.840 0.003 0.000 0.825 188 L CB 0.980 43.038 42.059 -0.001 0.000 1.117 188 L HN 0.221 nan 8.230 nan 0.000 0.456 189 E N 0.883 121.081 120.200 -0.003 0.000 2.539 189 E HA 0.141 4.491 4.350 -0.000 0.000 0.215 189 E C 0.879 177.472 176.600 -0.011 0.000 0.965 189 E CA -0.232 56.168 56.400 -0.001 0.000 1.019 189 E CB 0.943 30.646 29.700 0.006 0.000 1.059 189 E HN 0.837 nan 8.360 nan 0.000 0.496 190 G N 2.265 111.053 108.800 -0.021 0.000 2.653 190 G HA2 0.161 4.121 3.960 -0.000 0.000 0.265 190 G HA3 0.161 4.121 3.960 -0.000 0.000 0.265 190 G C -2.294 172.560 174.900 -0.076 0.000 1.237 190 G CA -0.903 44.180 45.100 -0.028 0.000 0.946 190 G HN -0.063 nan 8.290 nan 0.000 0.522 191 P HA 0.375 nan 4.420 nan 0.000 0.271 191 P C -0.388 176.695 177.300 -0.361 0.000 1.220 191 P CA 0.099 63.110 63.100 -0.148 0.000 0.768 191 P CB 1.280 32.944 31.700 -0.060 0.000 0.848 195 V N 1.547 121.504 119.914 0.072 0.000 2.588 195 V HA 0.707 4.827 4.120 -0.000 0.000 0.304 195 V C -1.012 175.120 176.094 0.063 0.000 1.042 195 V CA -0.740 61.606 62.300 0.077 0.000 0.877 195 V CB 2.096 33.980 31.823 0.102 0.000 0.996 195 V HN 0.892 nan 8.190 nan 0.000 0.425 196 D N 2.181 122.613 120.400 0.053 0.000 2.425 196 D HA 0.511 5.151 4.640 -0.000 0.000 0.240 196 D C -0.007 176.323 176.300 0.049 0.000 1.080 196 D CA -0.106 53.923 54.000 0.048 0.000 0.836 196 D CB 2.119 42.942 40.800 0.037 0.000 1.125 196 D HN 0.581 nan 8.370 nan 0.000 0.525 197 T N 2.038 116.624 114.554 0.054 0.000 3.516 197 T HA 0.531 4.881 4.350 -0.000 0.000 0.300 197 T C 0.536 175.271 174.700 0.058 0.000 0.995 197 T CA 0.453 62.585 62.100 0.053 0.000 0.982 197 T CB -0.014 68.885 68.868 0.053 0.000 1.199 197 T HN 0.656 nan 8.240 nan 0.000 0.481 198 A N 0.578 123.432 122.820 0.058 0.000 5.483 198 A HA -0.320 4.000 4.320 -0.000 0.000 0.309 198 A C 2.081 179.716 177.584 0.084 0.000 1.898 198 A CA 1.698 53.774 52.037 0.065 0.000 0.716 198 A CB -1.885 17.156 19.000 0.069 0.000 1.309 198 A HN 0.694 nan 8.150 nan 0.000 0.380 199 C N 0.248 119.615 119.300 0.112 0.000 2.419 199 C HA 0.125 4.585 4.460 -0.000 0.000 0.281 199 C C 2.830 177.892 174.990 0.121 0.000 1.336 199 C CA 1.459 60.583 59.018 0.176 0.000 1.770 199 C CB -1.825 26.112 27.740 0.329 0.000 1.929 199 C HN 1.164 nan 8.230 nan 0.000 0.509 200 S N 0.996 116.734 115.700 0.063 0.000 2.593 200 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 200 S C 1.445 176.071 174.600 0.042 0.000 0.966 200 S CA 0.630 58.840 58.200 0.018 0.000 0.914 200 S CB -0.394 62.800 63.200 -0.011 0.000 0.776 200 S HN 0.593 nan 8.310 nan 0.000 0.523 201 S N 2.697 118.435 115.700 0.064 0.000 2.369 201 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 201 S C 2.302 176.947 174.600 0.075 0.000 1.043 201 S CA 1.661 59.903 58.200 0.070 0.000 1.074 201 S CB -1.413 61.831 63.200 0.073 0.000 0.962 201 S HN 0.737 nan 8.310 nan 0.000 0.433 202 G N 2.011 110.860 108.800 0.080 0.000 2.703 202 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.222 202 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.222 202 G C 1.313 176.257 174.900 0.073 0.000 1.183 202 G CA 1.425 46.575 45.100 0.084 0.000 0.775 202 G HN 0.452 nan 8.290 nan 0.000 0.615 203 L N 0.178 121.432 121.223 0.052 0.000 2.056 203 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 203 L C 3.265 180.175 176.870 0.067 0.000 1.078 203 L CA 1.618 56.483 54.840 0.042 0.000 0.749 203 L CB -0.994 41.064 42.059 -0.002 0.000 0.901 203 L HN 0.256 nan 8.230 nan 0.000 0.433 204 T N 0.298 114.892 114.554 0.065 0.000 2.665 204 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 204 T C 2.030 176.803 174.700 0.122 0.000 1.035 204 T CA 1.521 63.680 62.100 0.099 0.000 1.151 204 T CB -0.329 68.589 68.868 0.084 0.000 0.862 204 T HN 0.460 nan 8.240 nan 0.000 0.438 205 A N 1.326 124.204 122.820 0.098 0.000 1.865 205 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 205 A C 2.335 179.927 177.584 0.013 0.000 1.191 205 A CA 1.595 53.690 52.037 0.096 0.000 0.623 205 A CB -1.068 18.011 19.000 0.132 0.000 0.826 205 A HN 0.493 nan 8.150 nan 0.000 0.444 206 L N -1.213 120.034 121.223 0.041 0.000 2.013 206 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 206 L C 2.624 179.480 176.870 -0.024 0.000 1.073 206 L CA 2.699 57.546 54.840 0.011 0.000 0.753 206 L CB -0.458 41.630 42.059 0.049 0.000 0.890 206 L HN 0.724 nan 8.230 nan 0.000 0.432 207 H N -0.182 118.846 119.070 -0.070 0.000 2.290 207 H HA -0.211 4.345 4.556 -0.000 0.000 0.298 207 H C 2.087 177.327 175.328 -0.147 0.000 1.087 207 H CA 2.414 58.416 56.048 -0.077 0.000 1.291 207 H CB -0.322 29.420 29.762 -0.033 0.000 1.369 207 H HN 0.345 nan 8.280 nan 0.000 0.492 208 L N 0.219 121.281 121.223 -0.268 0.000 2.131 208 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 208 L C 1.850 178.280 176.870 -0.734 0.000 1.092 208 L CA 0.392 54.975 54.840 -0.428 0.000 0.759 208 L CB -0.677 41.252 42.059 -0.217 0.000 0.903 208 L HN 0.378 nan 8.230 nan 0.000 0.435 212 S N 0.882 116.463 115.700 -0.198 0.000 2.368 212 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 212 S C 2.040 176.624 174.600 -0.026 0.000 1.030 212 S CA 1.101 59.260 58.200 -0.068 0.000 0.999 212 S CB -0.118 63.087 63.200 0.009 0.000 0.844 212 S HN 0.189 nan 8.310 nan 0.000 0.459 213 L N 0.581 121.769 121.223 -0.058 0.000 2.046 213 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 213 L C 2.707 179.558 176.870 -0.033 0.000 1.077 213 L CA 1.299 56.123 54.840 -0.025 0.000 0.747 213 L CB -0.402 41.637 42.059 -0.034 0.000 0.896 213 L HN 0.235 nan 8.230 nan 0.000 0.432 214 R N -0.448 120.017 120.500 -0.058 0.000 2.280 214 R HA -0.035 4.305 4.340 -0.000 0.000 0.207 214 R C 1.759 178.035 176.300 -0.040 0.000 1.043 214 R CA 0.536 56.602 56.100 -0.057 0.000 1.006 214 R CB -0.007 30.249 30.300 -0.074 0.000 0.885 214 R HN 0.287 nan 8.270 nan 0.000 0.467 215 R N 0.142 120.624 120.500 -0.030 0.000 2.432 215 R HA 0.036 4.376 4.340 -0.000 0.000 0.260 215 R C -0.456 175.846 176.300 0.003 0.000 0.935 215 R CA 0.012 56.104 56.100 -0.012 0.000 1.080 215 R CB 0.565 30.858 30.300 -0.011 0.000 1.155 215 R HN 0.092 nan 8.270 nan 0.000 0.531 216 D N 0.194 120.597 120.400 0.005 0.000 3.059 216 D HA -0.210 4.430 4.640 -0.000 0.000 0.220 216 D C 0.430 176.747 176.300 0.028 0.000 1.169 216 D CA 1.157 55.167 54.000 0.016 0.000 0.902 216 D CB -0.851 39.958 40.800 0.014 0.000 1.116 216 D HN 0.465 nan 8.370 nan 0.000 0.417 217 E N -0.624 119.599 120.200 0.039 0.000 2.267 217 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 217 E C 1.168 177.805 176.600 0.062 0.000 0.998 217 E CA 1.465 57.898 56.400 0.056 0.000 0.830 217 E CB -0.051 29.701 29.700 0.087 0.000 0.751 217 E HN 0.722 nan 8.360 nan 0.000 0.491 218 C N -4.684 114.654 119.300 0.064 0.000 3.306 218 C HA 0.616 5.076 4.460 -0.000 0.000 0.335 218 C C 1.191 176.209 174.990 0.048 0.000 1.382 218 C CA -0.546 58.507 59.018 0.058 0.000 1.254 218 C CB 1.010 28.799 27.740 0.082 0.000 1.555 218 C HN 0.126 nan 8.230 nan 0.000 0.463 219 G N -0.562 108.262 108.800 0.040 0.000 2.887 219 G HA2 0.475 4.435 3.960 -0.000 0.000 0.211 219 G HA3 0.475 4.435 3.960 -0.000 0.000 0.211 219 G C -0.381 174.542 174.900 0.037 0.000 1.152 219 G CA 0.532 45.654 45.100 0.035 0.000 0.769 219 G HN 0.837 nan 8.290 nan 0.000 0.541 220 L N -0.084 121.163 121.223 0.039 0.000 2.505 220 L HA 0.781 5.121 4.340 -0.000 0.000 0.259 220 L C -1.371 175.535 176.870 0.060 0.000 0.952 220 L CA -0.634 54.224 54.840 0.030 0.000 0.840 220 L CB 2.295 44.344 42.059 -0.018 0.000 1.358 220 L HN 0.069 nan 8.230 nan 0.000 0.409 221 A N 4.255 127.121 122.820 0.077 0.000 2.427 221 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 221 A C -1.783 175.880 177.584 0.132 0.000 1.036 221 A CA -0.453 51.680 52.037 0.160 0.000 0.701 221 A CB 1.226 20.370 19.000 0.240 0.000 1.250 221 A HN 0.607 nan 8.150 nan 0.000 0.412 222 L N 1.853 123.161 121.223 0.141 0.000 2.276 222 L HA 0.655 4.995 4.340 -0.000 0.000 0.286 222 L C 0.502 177.484 176.870 0.187 0.000 1.061 222 L CA -0.121 54.789 54.840 0.116 0.000 0.807 222 L CB 1.624 43.725 42.059 0.070 0.000 1.177 222 L HN 0.831 nan 8.230 nan 0.000 0.429 223 A N 2.717 125.624 122.820 0.145 0.000 2.359 223 A HA 0.910 5.230 4.320 -0.000 0.000 0.303 223 A C -0.149 177.503 177.584 0.114 0.000 1.066 223 A CA -0.016 52.114 52.037 0.155 0.000 0.730 223 A CB 1.549 20.607 19.000 0.097 0.000 1.211 223 A HN 0.784 nan 8.150 nan 0.000 0.439 224 G N -0.024 108.844 108.800 0.114 0.000 2.650 224 G HA2 0.848 4.808 3.960 -0.000 0.000 0.310 224 G HA3 0.848 4.808 3.960 -0.000 0.000 0.310 224 G C -0.386 174.564 174.900 0.082 0.000 1.270 224 G CA 0.061 45.213 45.100 0.087 0.000 0.810 224 G HN 1.864 nan 8.290 nan 0.000 0.493 225 G N -1.983 106.856 108.800 0.065 0.000 2.579 225 G HA2 0.683 4.643 3.960 -0.000 0.000 0.292 225 G HA3 0.683 4.643 3.960 -0.000 0.000 0.292 225 G C -1.749 173.177 174.900 0.043 0.000 1.484 225 G CA 0.236 45.374 45.100 0.063 0.000 0.813 225 G HN 1.559 nan 8.290 nan 0.000 0.515 226 V N -0.730 119.208 119.914 0.040 0.000 2.851 226 V HA 0.852 4.972 4.120 -0.000 0.000 0.307 226 V C -0.497 175.626 176.094 0.049 0.000 1.129 226 V CA -0.920 61.394 62.300 0.022 0.000 0.932 226 V CB 1.851 33.668 31.823 -0.010 0.000 1.024 226 V HN 0.910 nan 8.190 nan 0.000 0.426 227 T N 2.868 117.462 114.554 0.067 0.000 2.965 227 T HA 0.633 4.983 4.350 -0.000 0.000 0.306 227 T C -0.313 174.445 174.700 0.096 0.000 0.991 227 T CA -0.326 61.822 62.100 0.080 0.000 1.001 227 T CB 1.609 70.532 68.868 0.091 0.000 0.984 227 T HN 0.502 nan 8.240 nan 0.000 0.446 231 S N 1.732 117.648 115.700 0.360 0.000 2.569 231 S HA 0.647 5.117 4.470 -0.000 0.000 0.280 231 S C -2.916 171.338 174.600 -0.577 0.000 1.111 231 S CA -1.196 56.919 58.200 -0.142 0.000 0.887 231 S CB 1.955 65.100 63.200 -0.093 0.000 1.095 231 S HN -0.044 nan 8.310 nan 0.000 0.476 232 P HA 0.179 nan 4.420 nan 0.000 0.252 232 P C 1.428 178.596 177.300 -0.221 0.000 1.265 232 P CA 0.377 62.956 63.100 -0.868 0.000 0.775 232 P CB -0.705 30.454 31.700 -0.902 0.000 1.128 233 G N 1.580 110.274 108.800 -0.177 0.000 2.469 233 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 233 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 233 G C 1.649 176.534 174.900 -0.024 0.000 1.150 233 G CA 0.926 45.977 45.100 -0.080 0.000 0.763 233 G HN 0.378 nan 8.290 nan 0.000 0.561 234 A N -0.134 122.692 122.820 0.010 0.000 2.014 234 A HA 0.281 4.601 4.320 -0.000 0.000 0.218 234 A C 2.099 179.764 177.584 0.135 0.000 1.163 234 A CA 0.957 53.034 52.037 0.066 0.000 0.652 234 A CB -0.388 18.694 19.000 0.137 0.000 0.808 234 A HN 0.262 nan 8.150 nan 0.000 0.449 235 F N 0.902 120.913 119.950 0.102 0.000 2.026 235 F HA -0.198 4.329 4.527 -0.000 0.000 0.296 235 F C 2.810 178.644 175.800 0.056 0.000 1.133 235 F CA 2.165 60.219 58.000 0.091 0.000 1.188 235 F CB -1.176 37.838 39.000 0.022 0.000 0.968 235 F HN 0.150 nan 8.300 nan 0.000 0.476 236 T N -0.257 114.407 114.554 0.185 0.000 2.565 236 T HA -0.330 4.020 4.350 -0.000 0.000 0.265 236 T C 2.203 176.917 174.700 0.024 0.000 1.082 236 T CA 2.434 64.574 62.100 0.068 0.000 1.173 236 T CB -1.050 67.818 68.868 0.000 0.000 0.864 236 T HN 0.459 nan 8.240 nan 0.000 0.425 237 E N 0.562 120.731 120.200 -0.051 0.000 2.118 237 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 237 E C 1.800 178.300 176.600 -0.166 0.000 0.992 237 E CA 1.450 57.754 56.400 -0.161 0.000 0.804 237 E CB -1.162 28.360 29.700 -0.296 0.000 0.741 237 E HN 0.635 nan 8.360 nan 0.000 0.458 238 F N 0.219 120.183 119.950 0.024 0.000 2.367 238 F HA 0.173 4.700 4.527 -0.000 0.000 0.298 238 F C 2.494 178.294 175.800 -0.001 0.000 1.094 238 F CA 0.869 58.882 58.000 0.022 0.000 1.409 238 F CB 0.119 39.129 39.000 0.016 0.000 1.064 238 F HN 0.051 nan 8.300 nan 0.000 0.528 239 R N -1.325 119.285 120.500 0.184 0.000 2.276 239 R HA -0.026 4.314 4.340 -0.000 0.000 0.203 239 R C 2.145 178.489 176.300 0.072 0.000 1.017 239 R CA 0.947 57.116 56.100 0.115 0.000 1.010 239 R CB -0.241 30.129 30.300 0.118 0.000 0.900 239 R HN 0.080 nan 8.270 nan 0.000 0.469 240 S N -0.254 115.479 115.700 0.055 0.000 2.503 240 S HA 0.071 4.541 4.470 -0.000 0.000 0.215 240 S C 0.558 175.174 174.600 0.027 0.000 1.003 240 S CA 0.064 58.280 58.200 0.026 0.000 0.910 240 S CB 0.407 63.607 63.200 -0.000 0.000 0.790 240 S HN 0.209 nan 8.310 nan 0.000 0.514 241 Q N 0.036 119.864 119.800 0.047 0.000 2.270 241 Q HA 0.566 4.906 4.340 -0.000 0.000 0.167 241 Q C 0.971 177.029 176.000 0.096 0.000 1.023 241 Q CA -0.423 55.424 55.803 0.073 0.000 1.070 241 Q CB -0.045 28.756 28.738 0.105 0.000 1.504 241 Q HN 0.331 nan 8.270 nan 0.000 0.536 242 G N -1.889 106.975 108.800 0.107 0.000 2.509 242 G HA2 0.436 4.396 3.960 -0.000 0.000 0.269 242 G HA3 0.436 4.396 3.960 -0.000 0.000 0.269 242 G C 0.352 175.308 174.900 0.093 0.000 1.416 242 G CA -0.008 45.140 45.100 0.079 0.000 1.052 242 G HN 0.769 nan 8.290 nan 0.000 0.542 243 G N -2.024 106.769 108.800 -0.013 0.000 2.612 243 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.200 243 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.200 243 G C 0.447 175.019 174.900 -0.546 0.000 1.053 243 G CA 0.022 45.033 45.100 -0.150 0.000 0.707 243 G HN 0.642 nan 8.290 nan 0.000 0.497 244 L N 2.002 122.929 121.223 -0.493 0.000 2.436 244 L HA 0.647 4.987 4.340 -0.000 0.000 0.265 244 L C 1.118 177.814 176.870 -0.289 0.000 1.168 244 L CA -0.183 54.328 54.840 -0.549 0.000 0.815 244 L CB 1.167 43.038 42.059 -0.313 0.000 1.109 244 L HN 0.464 nan 8.230 nan 0.000 0.462 245 A N 1.635 124.308 122.820 -0.245 0.000 2.354 245 A HA 0.530 4.850 4.320 -0.000 0.000 0.269 245 A C 1.027 178.564 177.584 -0.078 0.000 1.109 245 A CA 0.211 52.170 52.037 -0.129 0.000 0.800 245 A CB 1.023 19.957 19.000 -0.111 0.000 1.045 245 A HN 0.947 nan 8.150 nan 0.000 0.489 246 A N 1.437 124.225 122.820 -0.053 0.000 1.892 246 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 246 A C 1.720 179.291 177.584 -0.022 0.000 1.188 246 A CA 2.196 54.216 52.037 -0.028 0.000 0.631 246 A CB -0.692 18.294 19.000 -0.024 0.000 0.822 246 A HN 0.850 nan 8.150 nan 0.000 0.447 247 D N -1.287 119.089 120.400 -0.041 0.000 2.133 247 D HA -0.112 4.528 4.640 -0.000 0.000 0.192 247 D C 1.652 177.941 176.300 -0.018 0.000 1.001 247 D CA 2.313 56.285 54.000 -0.047 0.000 0.844 247 D CB -0.403 40.338 40.800 -0.099 0.000 0.944 247 D HN 0.760 nan 8.370 nan 0.000 0.447 248 G N -0.161 108.630 108.800 -0.015 0.000 2.175 248 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 248 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 248 G C 0.252 175.154 174.900 0.003 0.000 0.982 248 G CA 0.118 45.231 45.100 0.023 0.000 0.641 248 G HN 0.345 nan 8.290 nan 0.000 0.527 249 R N -0.250 120.218 120.500 -0.054 0.000 2.437 249 R HA 0.514 4.854 4.340 -0.000 0.000 0.310 249 R C 0.136 176.402 176.300 -0.057 0.000 0.955 249 R CA -0.423 55.633 56.100 -0.074 0.000 0.851 249 R CB 1.339 31.477 30.300 -0.269 0.000 1.161 249 R HN 0.231 nan 8.270 nan 0.000 0.446 250 C N 2.702 122.015 119.300 0.020 0.000 2.653 250 C HA 0.127 4.587 4.460 -0.000 0.000 0.421 250 C C 0.680 175.703 174.990 0.055 0.000 1.334 250 C CA -0.455 58.578 59.018 0.025 0.000 1.885 250 C CB -0.502 27.252 27.740 0.023 0.000 2.645 250 C HN 0.674 nan 8.230 nan 0.000 0.601 251 K N 2.733 123.149 120.400 0.026 0.000 3.122 251 K HA 0.232 4.552 4.320 -0.000 0.000 0.193 251 K C -2.602 174.025 176.600 0.046 0.000 1.141 251 K CA -1.081 55.264 56.287 0.096 0.000 0.975 251 K CB 0.126 32.674 32.500 0.080 0.000 1.173 251 K HN 0.481 nan 8.250 nan 0.000 0.546 252 P HA -0.090 nan 4.420 nan 0.000 0.260 252 P C -0.304 176.801 177.300 -0.325 0.000 1.172 252 P CA 0.450 63.239 63.100 -0.518 0.000 0.760 252 P CB 0.119 31.310 31.700 -0.849 0.000 0.773 253 F N -0.662 119.440 119.950 0.253 0.000 2.748 253 F HA -0.261 4.266 4.527 -0.000 0.000 0.370 253 F C 1.076 177.159 175.800 0.472 0.000 0.620 253 F CA 1.169 59.395 58.000 0.377 0.000 1.233 253 F CB -2.787 36.517 39.000 0.506 0.000 1.708 253 F HN 0.378 nan 8.300 nan 0.000 0.298 254 S N 0.288 116.221 115.700 0.388 0.000 2.672 254 S HA 0.471 4.941 4.470 -0.000 0.000 0.276 254 S C 1.145 175.775 174.600 0.051 0.000 1.207 254 S CA -0.237 58.011 58.200 0.079 0.000 1.002 254 S CB 2.326 65.520 63.200 -0.010 0.000 0.998 254 S HN 0.325 nan 8.310 nan 0.000 0.542 255 K N 0.584 120.958 120.400 -0.043 0.000 2.147 255 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 255 K C 1.827 178.424 176.600 -0.006 0.000 1.049 255 K CA 1.204 57.487 56.287 -0.007 0.000 0.936 255 K CB -0.740 31.736 32.500 -0.039 0.000 0.722 255 K HN 0.792 nan 8.250 nan 0.000 0.446 256 A N 0.798 123.605 122.820 -0.022 0.000 2.239 256 A HA 0.176 4.496 4.320 -0.000 0.000 0.209 256 A C 0.777 178.359 177.584 -0.003 0.000 1.171 256 A CA 0.608 52.638 52.037 -0.012 0.000 0.768 256 A CB -0.414 18.579 19.000 -0.011 0.000 0.790 256 A HN 0.357 nan 8.150 nan 0.000 0.478 257 A N 0.679 123.506 122.820 0.012 0.000 2.500 257 A HA 0.268 4.588 4.320 -0.000 0.000 0.285 257 A C 0.601 178.181 177.584 -0.006 0.000 1.183 257 A CA 0.167 52.208 52.037 0.006 0.000 0.851 257 A CB -0.160 18.851 19.000 0.019 0.000 1.091 257 A HN 0.384 nan 8.150 nan 0.000 0.521 258 D N 1.802 122.187 120.400 -0.025 0.000 2.085 258 D HA 0.305 4.945 4.640 -0.000 0.000 0.199 258 D C 1.163 177.436 176.300 -0.044 0.000 0.981 258 D CA 2.151 56.129 54.000 -0.037 0.000 0.834 258 D CB 0.039 40.804 40.800 -0.058 0.000 0.992 258 D HN 0.885 nan 8.370 nan 0.000 0.457 259 G N -1.173 107.591 108.800 -0.060 0.000 2.338 259 G HA2 0.356 4.316 3.960 -0.000 0.000 0.295 259 G HA3 0.356 4.316 3.960 -0.000 0.000 0.295 259 G C -1.096 173.747 174.900 -0.096 0.000 1.461 259 G CA -0.693 44.350 45.100 -0.094 0.000 0.817 259 G HN 0.094 nan 8.290 nan 0.000 0.556 260 F N 0.091 119.988 119.950 -0.089 0.000 2.403 260 F HA 0.749 5.276 4.527 -0.000 0.000 0.320 260 F C 0.615 176.357 175.800 -0.095 0.000 1.176 260 F CA -0.676 57.271 58.000 -0.088 0.000 1.206 260 F CB 1.041 39.997 39.000 -0.074 0.000 1.235 260 F HN 0.668 nan 8.300 nan 0.000 0.565 261 G N 2.586 111.479 108.800 0.156 0.000 2.487 261 G HA2 0.549 4.509 3.960 -0.000 0.000 0.314 261 G HA3 0.549 4.509 3.960 -0.000 0.000 0.314 261 G C -1.132 173.868 174.900 0.167 0.000 1.267 261 G CA -0.998 44.134 45.100 0.055 0.000 0.937 261 G HN 0.839 nan 8.290 nan 0.000 0.481 262 L N 1.333 122.576 121.223 0.033 0.000 2.485 262 L HA 0.425 4.765 4.340 -0.000 0.000 0.275 262 L C 0.853 177.763 176.870 0.066 0.000 1.207 262 L CA 0.386 55.215 54.840 -0.017 0.000 0.855 262 L CB 0.795 42.651 42.059 -0.339 0.000 1.114 262 L HN 0.657 nan 8.230 nan 0.000 0.485 263 A N 3.196 126.072 122.820 0.093 0.000 2.602 263 A HA 0.788 5.108 4.320 -0.000 0.000 0.290 263 A C -1.359 176.315 177.584 0.150 0.000 1.114 263 A CA -0.653 51.472 52.037 0.147 0.000 0.683 263 A CB 1.813 20.913 19.000 0.166 0.000 1.281 263 A HN 0.719 nan 8.150 nan 0.000 0.416 264 E N -0.245 120.060 120.200 0.175 0.000 2.356 264 E HA 0.758 5.108 4.350 -0.000 0.000 0.275 264 E C -0.174 176.545 176.600 0.199 0.000 0.904 264 E CA -0.620 55.883 56.400 0.172 0.000 0.757 264 E CB 2.162 31.961 29.700 0.166 0.000 1.232 264 E HN 1.639 nan 8.360 nan 0.000 0.442 265 G N 0.179 109.084 108.800 0.175 0.000 2.427 265 G HA2 0.664 4.624 3.960 -0.000 0.000 0.306 265 G HA3 0.664 4.624 3.960 -0.000 0.000 0.306 265 G C -1.780 173.073 174.900 -0.078 0.000 1.280 265 G CA -0.351 44.807 45.100 0.097 0.000 0.837 265 G HN 0.992 nan 8.290 nan 0.000 0.482 266 A N -1.465 121.078 122.820 -0.462 0.000 2.547 266 A HA 0.907 5.227 4.320 -0.000 0.000 0.298 266 A C -0.383 176.881 177.584 -0.533 0.000 1.062 266 A CA 0.408 52.238 52.037 -0.345 0.000 0.748 266 A CB 1.407 20.257 19.000 -0.251 0.000 1.288 266 A HN 2.344 nan 8.150 nan 0.000 0.396 267 G N 0.209 108.895 108.800 -0.190 0.000 2.719 267 G HA2 0.768 4.728 3.960 -0.000 0.000 0.298 267 G HA3 0.768 4.728 3.960 -0.000 0.000 0.298 267 G C -1.128 173.779 174.900 0.011 0.000 1.411 267 G CA -0.103 44.946 45.100 -0.085 0.000 0.991 267 G HN 1.723 nan 8.290 nan 0.000 0.509 268 V N -0.196 119.736 119.914 0.031 0.000 3.007 268 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 268 V C -1.074 175.066 176.094 0.077 0.000 1.120 268 V CA -1.172 61.163 62.300 0.060 0.000 0.980 268 V CB 1.813 33.670 31.823 0.056 0.000 1.033 268 V HN 0.594 nan 8.190 nan 0.000 0.429 269 L N 2.267 123.538 121.223 0.080 0.000 2.386 269 L HA 0.664 5.004 4.340 -0.000 0.000 0.271 269 L C -0.205 176.706 176.870 0.068 0.000 0.993 269 L CA -0.489 54.398 54.840 0.078 0.000 0.819 269 L CB 2.083 44.189 42.059 0.079 0.000 1.294 269 L HN 0.555 nan 8.230 nan 0.000 0.414 270 V N 4.553 124.502 119.914 0.059 0.000 2.406 270 V HA 0.434 4.554 4.120 -0.000 0.000 0.272 270 V C 0.199 176.322 176.094 0.048 0.000 1.043 270 V CA -0.401 61.926 62.300 0.045 0.000 0.915 270 V CB 1.036 32.879 31.823 0.033 0.000 0.988 270 V HN 0.481 nan 8.190 nan 0.000 0.466 271 L N 4.772 126.022 121.223 0.045 0.000 2.322 271 L HA 0.768 5.108 4.340 -0.000 0.000 0.269 271 L C -0.360 176.531 176.870 0.035 0.000 1.012 271 L CA -0.524 54.338 54.840 0.036 0.000 0.815 271 L CB 1.940 44.013 42.059 0.024 0.000 1.295 271 L HN 0.647 nan 8.230 nan 0.000 0.438 272 Q N 0.881 120.698 119.800 0.029 0.000 2.479 272 Q HA 0.305 4.645 4.340 -0.000 0.000 0.276 272 Q C -1.287 174.724 176.000 0.018 0.000 0.989 272 Q CA -0.876 54.945 55.803 0.030 0.000 0.864 272 Q CB 2.215 30.982 28.738 0.048 0.000 1.444 272 Q HN 0.501 nan 8.270 nan 0.000 0.388 273 R N 1.883 122.391 120.500 0.014 0.000 2.523 273 R HA -0.089 4.251 4.340 -0.000 0.000 0.281 273 R C 1.230 177.542 176.300 0.020 0.000 0.969 273 R CA -0.072 56.032 56.100 0.007 0.000 1.093 273 R CB 0.362 30.667 30.300 0.007 0.000 0.917 273 R HN 0.558 nan 8.270 nan 0.000 0.408 274 L N 3.749 124.983 121.223 0.019 0.000 2.012 274 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 274 L C 2.196 179.090 176.870 0.039 0.000 1.073 274 L CA 2.489 57.347 54.840 0.029 0.000 0.748 274 L CB -0.828 41.251 42.059 0.034 0.000 0.891 274 L HN 0.844 nan 8.230 nan 0.000 0.431 275 S N -0.643 115.090 115.700 0.055 0.000 2.383 275 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 275 S C 2.121 176.747 174.600 0.043 0.000 1.030 275 S CA 1.054 59.290 58.200 0.061 0.000 1.002 275 S CB -1.013 62.244 63.200 0.095 0.000 0.829 275 S HN 0.540 nan 8.310 nan 0.000 0.467 276 A N 2.114 124.957 122.820 0.040 0.000 1.902 276 A HA 0.325 4.645 4.320 -0.000 0.000 0.217 276 A C 2.572 180.176 177.584 0.033 0.000 1.181 276 A CA 1.752 53.810 52.037 0.036 0.000 0.623 276 A CB -1.497 17.526 19.000 0.038 0.000 0.818 276 A HN 0.922 nan 8.150 nan 0.000 0.443 277 A N -0.518 122.322 122.820 0.033 0.000 1.933 277 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 277 A C 2.200 179.795 177.584 0.018 0.000 1.175 277 A CA 1.467 53.522 52.037 0.029 0.000 0.628 277 A CB -0.403 18.615 19.000 0.030 0.000 0.814 277 A HN 0.371 nan 8.150 nan 0.000 0.444 278 R N -0.371 120.141 120.500 0.019 0.000 2.070 278 R HA -0.108 4.232 4.340 -0.000 0.000 0.233 278 R C 2.292 178.599 176.300 0.011 0.000 1.137 278 R CA 1.765 57.873 56.100 0.014 0.000 0.945 278 R CB -0.964 29.346 30.300 0.017 0.000 0.845 278 R HN 0.674 nan 8.270 nan 0.000 0.430 279 R N 1.261 121.771 120.500 0.016 0.000 2.096 279 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 279 R C 1.367 177.673 176.300 0.010 0.000 1.127 279 R CA 1.568 57.676 56.100 0.014 0.000 0.968 279 R CB 0.024 30.335 30.300 0.019 0.000 0.861 279 R HN 0.331 nan 8.270 nan 0.000 0.440 280 E N -0.825 119.379 120.200 0.008 0.000 2.502 280 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 280 E C 0.437 177.029 176.600 -0.013 0.000 1.062 280 E CA 0.345 56.743 56.400 -0.003 0.000 0.867 280 E CB 0.431 30.128 29.700 -0.006 0.000 0.888 280 E HN 0.591 nan 8.360 nan 0.000 0.510 281 G N 2.721 111.518 108.800 -0.005 0.000 2.323 281 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.292 281 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.292 281 G C 0.004 174.895 174.900 -0.015 0.000 1.040 281 G CA 0.258 45.354 45.100 -0.006 0.000 0.942 281 G HN 0.149 nan 8.290 nan 0.000 0.506 282 R N 0.200 120.690 120.500 -0.016 0.000 2.528 282 R HA 0.413 4.753 4.340 -0.000 0.000 0.271 282 R C -1.993 174.301 176.300 -0.010 0.000 1.056 282 R CA -1.494 54.593 56.100 -0.022 0.000 1.117 282 R CB 0.641 30.934 30.300 -0.012 0.000 1.085 282 R HN 0.181 nan 8.270 nan 0.000 0.530 283 P HA 0.049 nan 4.420 nan 0.000 0.271 283 P C -0.658 176.641 177.300 -0.002 0.000 1.226 283 P CA -0.025 63.071 63.100 -0.007 0.000 0.765 283 P CB 0.724 32.421 31.700 -0.004 0.000 0.835 284 V N 5.713 125.620 119.914 -0.010 0.000 2.350 284 V HA 0.123 4.243 4.120 -0.000 0.000 0.276 284 V C 1.654 177.733 176.094 -0.026 0.000 1.028 284 V CA -0.240 62.054 62.300 -0.010 0.000 0.860 284 V CB 1.072 32.889 31.823 -0.010 0.000 0.990 284 V HN 0.476 nan 8.190 nan 0.000 0.453 285 L N 3.668 124.880 121.223 -0.019 0.000 2.249 285 L HA 0.513 4.853 4.340 -0.000 0.000 0.207 285 L C 0.944 177.783 176.870 -0.051 0.000 1.090 285 L CA 1.042 55.860 54.840 -0.038 0.000 0.802 285 L CB -0.028 42.023 42.059 -0.012 0.000 0.947 285 L HN 0.780 nan 8.230 nan 0.000 0.453 286 A N -1.082 121.721 122.820 -0.028 0.000 2.456 286 A HA 0.608 4.928 4.320 -0.000 0.000 0.294 286 A C -1.727 175.854 177.584 -0.005 0.000 1.057 286 A CA -0.432 51.589 52.037 -0.028 0.000 0.623 286 A CB 1.106 20.094 19.000 -0.020 0.000 1.338 286 A HN -0.265 nan 8.150 nan 0.000 0.464 287 V N 0.886 120.801 119.914 0.001 0.000 2.531 287 V HA 0.437 4.557 4.120 -0.000 0.000 0.301 287 V C -0.738 175.371 176.094 0.025 0.000 1.034 287 V CA -0.297 62.011 62.300 0.013 0.000 0.865 287 V CB 1.497 33.326 31.823 0.010 0.000 0.995 287 V HN 0.676 nan 8.190 nan 0.000 0.424 288 L N 5.311 126.550 121.223 0.026 0.000 2.283 288 L HA 0.464 4.804 4.340 -0.000 0.000 0.287 288 L C 1.287 178.176 176.870 0.032 0.000 1.073 288 L CA -0.164 54.695 54.840 0.033 0.000 0.822 288 L CB 0.880 42.956 42.059 0.028 0.000 1.186 288 L HN 0.628 nan 8.230 nan 0.000 0.436 289 R N 2.187 122.714 120.500 0.045 0.000 2.105 289 R HA 0.266 4.606 4.340 -0.000 0.000 0.214 289 R C 0.556 176.885 176.300 0.049 0.000 1.091 289 R CA 0.714 56.841 56.100 0.046 0.000 1.007 289 R CB 0.514 30.850 30.300 0.060 0.000 0.912 289 R HN 0.778 nan 8.270 nan 0.000 0.450 290 G N -1.380 107.460 108.800 0.067 0.000 2.646 290 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 290 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 290 G C -1.548 173.414 174.900 0.104 0.000 1.445 290 G CA -0.123 45.024 45.100 0.078 0.000 0.814 290 G HN 0.211 nan 8.290 nan 0.000 0.495 291 S N -1.318 114.461 115.700 0.131 0.000 2.596 291 S HA 0.960 5.430 4.470 -0.000 0.000 0.270 291 S C -0.659 173.998 174.600 0.095 0.000 1.155 291 S CA 0.041 58.326 58.200 0.141 0.000 0.827 291 S CB 1.807 65.132 63.200 0.208 0.000 1.130 291 S HN 2.471 nan 8.310 nan 0.000 0.467 292 A N 0.756 123.565 122.820 -0.019 0.000 2.572 292 A HA 0.829 5.149 4.320 -0.000 0.000 0.295 292 A C -1.396 176.047 177.584 -0.237 0.000 1.072 292 A CA -0.732 51.230 52.037 -0.126 0.000 0.691 292 A CB 1.654 20.646 19.000 -0.014 0.000 1.291 292 A HN 1.275 nan 8.150 nan 0.000 0.404 293 V N 2.232 121.965 119.914 -0.303 0.000 2.823 293 V HA 0.680 4.800 4.120 -0.000 0.000 0.312 293 V C -0.110 175.940 176.094 -0.073 0.000 1.072 293 V CA -0.238 61.949 62.300 -0.189 0.000 0.937 293 V CB 1.876 33.545 31.823 -0.256 0.000 1.013 293 V HN 1.202 nan 8.190 nan 0.000 0.430 294 N N 2.176 120.862 118.700 -0.024 0.000 3.243 294 N HA 0.463 5.203 4.740 -0.000 0.000 0.280 294 N C -1.768 173.744 175.510 0.002 0.000 1.545 294 N CA -1.044 52.001 53.050 -0.009 0.000 0.854 294 N CB 1.963 40.443 38.487 -0.012 0.000 1.612 294 N HN 0.436 nan 8.380 nan 0.000 0.577 295 Q N -0.196 119.602 119.800 -0.003 0.000 2.348 295 Q HA 0.232 4.572 4.340 -0.000 0.000 0.271 295 Q C -0.417 175.572 176.000 -0.019 0.000 1.067 295 Q CA -0.487 55.315 55.803 -0.003 0.000 0.839 295 Q CB 2.002 30.741 28.738 0.002 0.000 1.354 295 Q HN 0.639 nan 8.270 nan 0.000 0.447 296 D N 1.283 121.668 120.400 -0.024 0.000 2.219 296 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 296 D C 1.113 177.397 176.300 -0.028 0.000 0.970 296 D CA 1.329 55.305 54.000 -0.040 0.000 0.851 296 D CB 0.290 41.065 40.800 -0.042 0.000 0.943 296 D HN 0.837 nan 8.370 nan 0.000 0.488 297 G N 0.916 109.707 108.800 -0.015 0.000 2.514 297 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.265 297 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.265 297 G C 0.267 175.161 174.900 -0.010 0.000 1.150 297 G CA 0.282 45.376 45.100 -0.011 0.000 0.959 297 G HN 0.578 nan 8.290 nan 0.000 0.556 298 A N 0.833 123.647 122.820 -0.010 0.000 3.091 298 A HA 0.677 4.997 4.320 -0.000 0.000 0.264 298 A C 1.152 178.730 177.584 -0.010 0.000 1.673 298 A CA 1.246 53.278 52.037 -0.008 0.000 1.362 298 A CB -1.070 17.925 19.000 -0.007 0.000 1.137 298 A HN 2.177 nan 8.150 nan 0.000 0.617 299 S N 0.525 116.219 115.700 -0.010 0.000 2.625 299 S HA 0.033 4.503 4.470 -0.000 0.000 0.258 299 S C 0.843 175.441 174.600 -0.004 0.000 1.256 299 S CA 0.223 58.417 58.200 -0.011 0.000 0.983 299 S CB -0.081 63.112 63.200 -0.011 0.000 1.032 299 S HN 0.603 nan 8.310 nan 0.000 0.572 300 N N 0.269 118.969 118.700 -0.001 0.000 2.573 300 N HA 0.299 5.039 4.740 -0.000 0.000 0.187 300 N C 0.436 175.952 175.510 0.011 0.000 1.107 300 N CA 0.575 53.627 53.050 0.005 0.000 0.918 300 N CB -0.013 38.479 38.487 0.008 0.000 0.966 300 N HN 0.821 nan 8.380 nan 0.000 0.448 301 G N -1.086 107.722 108.800 0.013 0.000 2.411 301 G HA2 0.163 4.123 3.960 -0.000 0.000 0.295 301 G HA3 0.163 4.123 3.960 -0.000 0.000 0.295 301 G C -0.022 174.891 174.900 0.021 0.000 1.542 301 G CA -0.836 44.275 45.100 0.018 0.000 0.814 301 G HN 0.004 nan 8.290 nan 0.000 0.557 302 L N 1.083 122.319 121.223 0.022 0.000 1.997 302 L HA -0.062 4.278 4.340 -0.000 0.000 0.216 302 L C 2.959 179.851 176.870 0.036 0.000 1.074 302 L CA 3.812 58.666 54.840 0.024 0.000 0.763 302 L CB -0.494 41.578 42.059 0.021 0.000 0.890 302 L HN 0.950 nan 8.230 nan 0.000 0.434 303 T N -2.525 112.058 114.554 0.049 0.000 3.067 303 T HA 0.278 4.628 4.350 -0.000 0.000 0.257 303 T C 0.954 175.696 174.700 0.071 0.000 1.105 303 T CA 0.155 62.298 62.100 0.072 0.000 1.104 303 T CB -0.611 68.319 68.868 0.102 0.000 0.925 303 T HN 0.444 nan 8.240 nan 0.000 0.498 304 A N 4.171 127.023 122.820 0.053 0.000 2.524 304 A HA 0.515 4.835 4.320 -0.000 0.000 0.250 304 A C -1.893 175.703 177.584 0.020 0.000 1.078 304 A CA -1.234 50.828 52.037 0.042 0.000 0.761 304 A CB -0.082 18.936 19.000 0.030 0.000 1.012 304 A HN 0.458 nan 8.150 nan 0.000 0.500 305 P HA 0.318 nan 4.420 nan 0.000 0.278 305 P C -0.469 176.792 177.300 -0.064 0.000 1.266 305 P CA -0.355 62.722 63.100 -0.039 0.000 0.807 305 P CB 1.402 33.076 31.700 -0.044 0.000 1.094 306 S N -0.602 115.027 115.700 -0.118 0.000 2.647 306 S HA 0.508 4.978 4.470 -0.000 0.000 0.300 306 S C 1.264 175.776 174.600 -0.147 0.000 1.129 306 S CA -0.221 57.917 58.200 -0.104 0.000 1.029 306 S CB 0.592 63.743 63.200 -0.081 0.000 1.007 306 S HN 0.529 nan 8.310 nan 0.000 0.484 307 G N 4.919 113.656 108.800 -0.105 0.000 2.421 307 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 307 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 307 G C -1.090 173.748 174.900 -0.102 0.000 1.171 307 G CA 0.806 45.846 45.100 -0.101 0.000 0.775 307 G HN 0.642 nan 8.290 nan 0.000 0.543 308 P HA -0.072 nan 4.420 nan 0.000 0.216 308 P C 2.111 179.360 177.300 -0.085 0.000 1.150 308 P CA 2.029 65.085 63.100 -0.073 0.000 0.843 308 P CB -0.136 31.529 31.700 -0.058 0.000 0.787 309 A N -0.478 122.282 122.820 -0.100 0.000 1.929 309 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 309 A C 2.242 179.746 177.584 -0.133 0.000 1.176 309 A CA 1.285 53.261 52.037 -0.103 0.000 0.628 309 A CB -1.158 17.782 19.000 -0.101 0.000 0.816 309 A HN 0.184 nan 8.150 nan 0.000 0.444 310 Q N -0.548 119.123 119.800 -0.214 0.000 2.084 310 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 310 Q C 2.257 178.188 176.000 -0.114 0.000 0.978 310 Q CA 1.681 57.335 55.803 -0.247 0.000 0.844 310 Q CB -0.215 28.272 28.738 -0.419 0.000 0.898 310 Q HN 0.771 nan 8.270 nan 0.000 0.426 311 Q N 0.217 119.953 119.800 -0.107 0.000 2.079 311 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 311 Q C 2.125 178.066 176.000 -0.099 0.000 0.974 311 Q CA 0.869 56.613 55.803 -0.099 0.000 0.840 311 Q CB -0.040 28.646 28.738 -0.086 0.000 0.898 311 Q HN 0.262 nan 8.270 nan 0.000 0.430 312 R N -0.031 120.421 120.500 -0.080 0.000 2.080 312 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 312 R C 2.366 178.631 176.300 -0.057 0.000 1.137 312 R CA 1.417 57.479 56.100 -0.064 0.000 0.943 312 R CB -0.623 29.647 30.300 -0.050 0.000 0.846 312 R HN 0.138 nan 8.270 nan 0.000 0.431 313 V N 1.207 121.097 119.914 -0.040 0.000 2.407 313 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 313 V C 2.071 178.144 176.094 -0.035 0.000 1.055 313 V CA 1.638 63.935 62.300 -0.005 0.000 1.049 313 V CB -0.199 31.663 31.823 0.065 0.000 0.662 313 V HN 0.280 nan 8.190 nan 0.000 0.455 314 I N -0.584 119.905 120.570 -0.135 0.000 2.179 314 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 314 I C 2.731 178.723 176.117 -0.208 0.000 1.088 314 I CA 1.764 62.865 61.300 -0.330 0.000 1.357 314 I CB -0.413 37.334 38.000 -0.421 0.000 1.051 314 I HN 0.233 nan 8.210 nan 0.000 0.409 315 R N 0.382 120.783 120.500 -0.165 0.000 2.070 315 R HA -0.180 4.160 4.340 -0.000 0.000 0.233 315 R C 2.739 179.003 176.300 -0.060 0.000 1.137 315 R CA 1.873 57.898 56.100 -0.125 0.000 0.945 315 R CB -0.693 29.543 30.300 -0.106 0.000 0.845 315 R HN 0.345 nan 8.270 nan 0.000 0.430 316 R N 1.064 121.542 120.500 -0.036 0.000 2.105 316 R HA -0.044 4.296 4.340 -0.000 0.000 0.239 316 R C 2.249 178.563 176.300 0.023 0.000 1.135 316 R CA 1.759 57.856 56.100 -0.005 0.000 0.967 316 R CB -1.429 28.870 30.300 -0.002 0.000 0.861 316 R HN 0.449 nan 8.270 nan 0.000 0.442 317 A N 0.776 123.620 122.820 0.041 0.000 1.877 317 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 317 A C 2.507 180.151 177.584 0.099 0.000 1.186 317 A CA 1.470 53.570 52.037 0.105 0.000 0.620 317 A CB -0.323 18.813 19.000 0.226 0.000 0.822 317 A HN 0.465 nan 8.150 nan 0.000 0.443 318 L N -0.961 120.298 121.223 0.059 0.000 2.093 318 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 318 L C 2.646 179.539 176.870 0.038 0.000 1.085 318 L CA 1.728 56.598 54.840 0.050 0.000 0.755 318 L CB -0.343 41.703 42.059 -0.022 0.000 0.904 318 L HN 0.553 nan 8.230 nan 0.000 0.435 319 E N -0.036 120.175 120.200 0.019 0.000 2.107 319 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 319 E C 1.818 178.437 176.600 0.031 0.000 0.982 319 E CA 0.835 57.246 56.400 0.018 0.000 0.809 319 E CB 0.176 29.880 29.700 0.006 0.000 0.756 319 E HN 0.473 nan 8.360 nan 0.000 0.459 320 N N 0.554 119.280 118.700 0.042 0.000 2.188 320 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 320 N C 1.590 177.131 175.510 0.051 0.000 1.018 320 N CA 1.179 54.258 53.050 0.049 0.000 0.858 320 N CB -0.264 38.263 38.487 0.067 0.000 0.989 320 N HN 0.172 nan 8.380 nan 0.000 0.426 321 A N 0.298 123.156 122.820 0.063 0.000 2.014 321 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 321 A C 1.534 179.152 177.584 0.058 0.000 1.163 321 A CA 1.240 53.317 52.037 0.067 0.000 0.652 321 A CB -0.643 18.412 19.000 0.092 0.000 0.808 321 A HN 0.344 nan 8.150 nan 0.000 0.449 322 G N -1.448 107.382 108.800 0.051 0.000 2.198 322 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.257 322 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.257 322 G C -0.055 174.877 174.900 0.053 0.000 1.042 322 G CA 0.297 45.425 45.100 0.046 0.000 0.791 322 G HN 0.965 nan 8.290 nan 0.000 0.502 323 V N -0.087 119.864 119.914 0.062 0.000 2.680 323 V HA 0.619 4.739 4.120 -0.000 0.000 0.309 323 V C 0.750 176.884 176.094 0.065 0.000 1.052 323 V CA -1.104 61.242 62.300 0.077 0.000 0.908 323 V CB 1.894 33.782 31.823 0.109 0.000 1.001 323 V HN 0.396 nan 8.190 nan 0.000 0.431 324 R N 1.620 122.160 120.500 0.066 0.000 2.500 324 R HA 0.560 4.900 4.340 -0.000 0.000 0.277 324 R C 1.311 177.656 176.300 0.075 0.000 1.026 324 R CA 0.111 56.238 56.100 0.046 0.000 1.058 324 R CB 1.454 31.778 30.300 0.040 0.000 1.078 324 R HN 0.890 nan 8.270 nan 0.000 0.509 325 A N 2.196 125.028 122.820 0.019 0.000 1.917 325 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 325 A C 2.007 179.716 177.584 0.208 0.000 1.182 325 A CA 2.094 54.164 52.037 0.056 0.000 0.633 325 A CB -1.111 17.802 19.000 -0.145 0.000 0.819 325 A HN 0.927 nan 8.150 nan 0.000 0.448 326 G N -0.970 107.903 108.800 0.121 0.000 2.527 326 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 326 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 326 G C 0.866 175.846 174.900 0.134 0.000 1.117 326 G CA 1.040 46.211 45.100 0.119 0.000 0.759 326 G HN 0.581 nan 8.290 nan 0.000 0.556 327 D N -0.341 120.148 120.400 0.149 0.000 2.339 327 D HA 0.103 4.743 4.640 -0.000 0.000 0.217 327 D C 0.268 176.682 176.300 0.189 0.000 1.050 327 D CA 0.129 54.218 54.000 0.149 0.000 0.856 327 D CB 1.103 41.978 40.800 0.125 0.000 0.922 327 D HN 0.077 nan 8.370 nan 0.000 0.518 328 V N 1.737 121.785 119.914 0.224 0.000 2.427 328 V HA 0.095 4.215 4.120 -0.000 0.000 0.286 328 V C 0.686 176.870 176.094 0.149 0.000 1.034 328 V CA -0.369 62.060 62.300 0.216 0.000 0.893 328 V CB 2.351 34.329 31.823 0.258 0.000 0.982 328 V HN -0.113 nan 8.190 nan 0.000 0.452 329 D N 2.127 122.641 120.400 0.190 0.000 2.380 329 D HA 0.095 4.735 4.640 -0.000 0.000 0.212 329 D C -0.289 176.024 176.300 0.021 0.000 1.021 329 D CA 0.992 55.074 54.000 0.136 0.000 0.884 329 D CB 0.788 41.732 40.800 0.241 0.000 1.001 329 D HN 0.512 nan 8.370 nan 0.000 0.506 330 Y N 0.468 120.667 120.300 -0.168 0.000 2.504 330 Y HA 0.443 4.993 4.550 -0.000 0.000 0.344 330 Y C -1.587 174.216 175.900 -0.162 0.000 1.023 330 Y CA -0.900 57.060 58.100 -0.233 0.000 1.020 330 Y CB 1.718 39.886 38.460 -0.488 0.000 1.282 330 Y HN -0.392 nan 8.280 nan 0.000 0.454 331 V N 5.232 124.578 119.914 -0.948 0.000 2.531 331 V HA 0.297 4.417 4.120 -0.000 0.000 0.301 331 V C -0.669 174.879 176.094 -0.910 0.000 1.034 331 V CA -0.995 60.877 62.300 -0.713 0.000 0.865 331 V CB 1.722 33.271 31.823 -0.455 0.000 0.995 331 V HN 0.665 nan 8.190 nan 0.000 0.424 332 E N 3.685 123.629 120.200 -0.427 0.000 1.944 332 E HA 0.374 4.724 4.350 -0.000 0.000 0.272 332 E C 0.250 176.802 176.600 -0.080 0.000 1.195 332 E CA -0.021 56.302 56.400 -0.128 0.000 0.926 332 E CB 1.232 30.977 29.700 0.074 0.000 1.051 332 E HN 0.780 nan 8.360 nan 0.000 0.404 333 A N 3.106 125.915 122.820 -0.018 0.000 2.351 333 A HA 0.069 4.389 4.320 -0.000 0.000 0.257 333 A C 1.311 178.979 177.584 0.140 0.000 1.087 333 A CA -0.202 51.907 52.037 0.120 0.000 0.798 333 A CB 0.323 19.497 19.000 0.291 0.000 1.033 333 A HN 0.842 nan 8.150 nan 0.000 0.488 334 H N 1.675 120.713 119.070 -0.053 0.000 2.265 334 H HA -0.162 4.394 4.556 -0.000 0.000 0.293 334 H C 1.497 176.775 175.328 -0.082 0.000 1.089 334 H CA 1.422 57.380 56.048 -0.150 0.000 1.244 334 H CB -0.121 29.517 29.762 -0.207 0.000 1.355 334 H HN 1.216 nan 8.280 nan 0.000 0.485 335 G N 0.578 109.385 108.800 0.011 0.000 2.352 335 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.283 335 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.283 335 G C 0.888 175.557 174.900 -0.385 0.000 0.946 335 G CA 0.924 45.847 45.100 -0.293 0.000 1.317 335 G HN 0.707 nan 8.290 nan 0.000 0.478 336 T N -1.770 112.573 114.554 -0.351 0.000 3.065 336 T HA 0.431 4.781 4.350 -0.000 0.000 0.252 336 T C 1.929 176.578 174.700 -0.085 0.000 1.099 336 T CA 1.051 62.994 62.100 -0.262 0.000 1.063 336 T CB 0.410 69.117 68.868 -0.268 0.000 0.948 336 T HN 2.322 nan 8.240 nan 0.000 0.506 337 G N 0.820 109.537 108.800 -0.137 0.000 2.325 337 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.248 337 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.248 337 G C -0.138 174.760 174.900 -0.003 0.000 1.108 337 G CA -0.111 44.937 45.100 -0.087 0.000 0.881 337 G HN 0.726 nan 8.290 nan 0.000 0.494 338 T N -0.624 113.940 114.554 0.017 0.000 2.876 338 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 338 T C 1.528 176.256 174.700 0.047 0.000 1.014 338 T CA -0.706 61.432 62.100 0.063 0.000 0.986 338 T CB 1.720 70.659 68.868 0.117 0.000 1.021 338 T HN 0.289 nan 8.240 nan 0.000 0.458 339 R N 1.179 121.705 120.500 0.044 0.000 2.081 339 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 339 R C 2.113 178.438 176.300 0.042 0.000 1.131 339 R CA 0.934 57.057 56.100 0.038 0.000 0.960 339 R CB -0.182 30.137 30.300 0.033 0.000 0.856 339 R HN 0.448 nan 8.270 nan 0.000 0.436 340 L N -0.238 121.017 121.223 0.053 0.000 1.994 340 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 340 L C 2.403 179.304 176.870 0.052 0.000 1.071 340 L CA 2.156 57.028 54.840 0.053 0.000 0.745 340 L CB -1.335 40.762 42.059 0.063 0.000 0.892 340 L HN 0.371 nan 8.230 nan 0.000 0.431 341 G N -0.806 108.037 108.800 0.071 0.000 2.394 341 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.214 341 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.214 341 G C 1.174 176.127 174.900 0.088 0.000 1.176 341 G CA 0.584 45.737 45.100 0.089 0.000 0.786 341 G HN 0.308 nan 8.290 nan 0.000 0.533 342 D N 1.301 121.747 120.400 0.076 0.000 2.104 342 D HA -0.063 4.577 4.640 -0.000 0.000 0.194 342 D C 0.158 176.471 176.300 0.021 0.000 0.994 342 D CA 1.113 55.188 54.000 0.125 0.000 0.830 342 D CB -1.199 39.666 40.800 0.109 0.000 0.959 342 D HN 0.247 nan 8.370 nan 0.000 0.452 343 P HA -0.077 nan 4.420 nan 0.000 0.215 343 P C 1.750 178.811 177.300 -0.398 0.000 1.157 343 P CA 0.827 63.702 63.100 -0.374 0.000 0.868 343 P CB 0.019 31.603 31.700 -0.193 0.000 0.788 344 I N -0.315 120.198 120.570 -0.094 0.000 2.163 344 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 344 I C 2.595 178.694 176.117 -0.031 0.000 1.085 344 I CA 1.672 62.968 61.300 -0.006 0.000 1.347 344 I CB -0.609 37.392 38.000 0.003 0.000 1.044 344 I HN 0.038 nan 8.210 nan 0.000 0.408 345 E N 0.788 120.993 120.200 0.008 0.000 2.077 345 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 345 E C 2.238 178.847 176.600 0.014 0.000 0.989 345 E CA 1.382 57.834 56.400 0.086 0.000 0.800 345 E CB 0.179 30.062 29.700 0.305 0.000 0.746 345 E HN 0.280 nan 8.360 nan 0.000 0.452 346 V N 0.461 120.303 119.914 -0.121 0.000 2.548 346 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 346 V C 1.805 177.770 176.094 -0.215 0.000 1.055 346 V CA 1.987 64.128 62.300 -0.265 0.000 1.065 346 V CB -0.698 30.806 31.823 -0.533 0.000 0.681 346 V HN 0.384 nan 8.190 nan 0.000 0.462 347 H N 0.230 119.209 119.070 -0.151 0.000 2.387 347 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 347 H C 2.314 177.592 175.328 -0.083 0.000 1.099 347 H CA 1.310 57.283 56.048 -0.124 0.000 1.315 347 H CB -0.036 29.660 29.762 -0.109 0.000 1.380 347 H HN 0.476 nan 8.280 nan 0.000 0.513 348 A N 0.790 123.638 122.820 0.047 0.000 1.897 348 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 348 A C 2.310 179.905 177.584 0.019 0.000 1.181 348 A CA 0.944 52.986 52.037 0.009 0.000 0.620 348 A CB -0.632 18.353 19.000 -0.025 0.000 0.821 348 A HN 0.262 nan 8.150 nan 0.000 0.443 349 L N -0.611 120.639 121.223 0.045 0.000 2.046 349 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 349 L C 2.568 179.479 176.870 0.069 0.000 1.077 349 L CA 1.118 56.016 54.840 0.096 0.000 0.747 349 L CB -0.547 41.543 42.059 0.051 0.000 0.896 349 L HN 0.363 nan 8.230 nan 0.000 0.432 350 L N -0.469 120.767 121.223 0.020 0.000 2.042 350 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 350 L C 2.652 179.531 176.870 0.016 0.000 1.076 350 L CA 1.801 56.653 54.840 0.019 0.000 0.749 350 L CB -0.403 41.667 42.059 0.020 0.000 0.893 350 L HN 0.419 nan 8.230 nan 0.000 0.432 351 S N -2.758 112.944 115.700 0.003 0.000 2.501 351 S HA -0.028 4.442 4.470 -0.000 0.000 0.220 351 S C 1.581 176.158 174.600 -0.038 0.000 0.997 351 S CA 0.476 58.665 58.200 -0.018 0.000 0.919 351 S CB -0.276 62.907 63.200 -0.029 0.000 0.778 351 S HN 0.520 nan 8.310 nan 0.000 0.523 352 T N -0.332 114.193 114.554 -0.048 0.000 3.207 352 T HA 0.187 4.537 4.350 -0.000 0.000 0.229 352 T C 1.455 176.082 174.700 -0.122 0.000 0.999 352 T CA 0.315 62.336 62.100 -0.131 0.000 1.386 352 T CB -1.046 67.683 68.868 -0.233 0.000 1.130 352 T HN 0.199 nan 8.240 nan 0.000 0.435 353 Y N 2.247 122.524 120.300 -0.038 0.000 2.207 353 Y HA 0.140 4.690 4.550 0.000 0.000 0.287 353 Y C 2.913 178.795 175.900 -0.030 0.000 1.156 353 Y CA 1.243 59.327 58.100 -0.027 0.000 1.182 353 Y CB -0.841 37.603 38.460 -0.027 0.000 0.979 353 Y HN 0.492 nan 8.280 nan 0.000 0.521 354 G N -1.294 107.573 108.800 0.113 0.000 2.744 354 G HA2 0.039 3.999 3.960 -0.000 0.000 0.211 354 G HA3 0.039 3.999 3.960 -0.000 0.000 0.211 354 G C 1.676 176.588 174.900 0.021 0.000 1.143 354 G CA 0.594 45.722 45.100 0.046 0.000 0.788 354 G HN 0.437 nan 8.290 nan 0.000 0.534 355 A N 0.225 123.052 122.820 0.011 0.000 2.072 355 A HA 0.213 4.533 4.320 -0.000 0.000 0.216 355 A C 1.731 179.318 177.584 0.003 0.000 1.156 355 A CA 0.554 52.590 52.037 -0.001 0.000 0.701 355 A CB 0.025 19.015 19.000 -0.017 0.000 0.816 355 A HN 0.334 nan 8.150 nan 0.000 0.458 356 E N 0.261 120.469 120.200 0.014 0.000 2.370 356 E HA 0.070 4.420 4.350 -0.000 0.000 0.194 356 E C -0.650 175.969 176.600 0.032 0.000 1.057 356 E CA -0.114 56.299 56.400 0.021 0.000 1.011 356 E CB 0.204 29.919 29.700 0.025 0.000 1.132 356 E HN 0.269 nan 8.360 nan 0.000 0.450 357 R N 1.512 122.026 120.500 0.023 0.000 2.628 357 R HA 0.185 4.525 4.340 -0.000 0.000 0.288 357 R C -0.611 175.694 176.300 0.008 0.000 0.980 357 R CA -0.896 55.215 56.100 0.019 0.000 0.891 357 R CB 0.981 31.285 30.300 0.006 0.000 1.188 357 R HN 0.057 nan 8.270 nan 0.000 0.450 358 D N 2.522 122.929 120.400 0.011 0.000 2.302 358 D HA 0.184 4.824 4.640 -0.000 0.000 0.248 358 D C -1.744 174.554 176.300 -0.004 0.000 1.094 358 D CA -1.740 52.263 54.000 0.006 0.000 0.897 358 D CB 1.135 41.943 40.800 0.012 0.000 1.200 358 D HN 0.046 nan 8.370 nan 0.000 0.429 359 P HA -0.235 nan 4.420 nan 0.000 0.214 359 P C 1.154 178.439 177.300 -0.026 0.000 1.163 359 P CA 1.205 64.290 63.100 -0.025 0.000 0.889 359 P CB 0.054 31.745 31.700 -0.015 0.000 0.790 360 D N 0.048 120.445 120.400 -0.005 0.000 3.818 360 D HA -0.258 4.382 4.640 -0.000 0.000 0.506 360 D C 0.298 176.609 176.300 0.018 0.000 1.227 360 D CA 2.043 56.050 54.000 0.011 0.000 1.422 360 D CB -0.687 40.123 40.800 0.017 0.000 0.651 360 D HN 0.210 nan 8.370 nan 0.000 0.626 361 D N 0.204 120.612 120.400 0.014 0.000 2.462 361 D HA 0.329 4.969 4.640 -0.000 0.000 0.245 361 D C -2.663 173.619 176.300 -0.029 0.000 1.122 361 D CA -1.575 52.444 54.000 0.031 0.000 0.864 361 D CB 2.251 43.088 40.800 0.063 0.000 1.098 361 D HN 0.096 nan 8.370 nan 0.000 0.541 362 P HA 0.320 nan 4.420 nan 0.000 0.286 362 P C -0.359 176.749 177.300 -0.319 0.000 1.292 362 P CA -1.019 61.917 63.100 -0.273 0.000 0.842 362 P CB 1.696 33.100 31.700 -0.494 0.000 1.207 363 L N 1.368 122.420 121.223 -0.285 0.000 2.319 363 L HA 0.256 4.596 4.340 -0.000 0.000 0.280 363 L C -0.808 175.818 176.870 -0.406 0.000 1.099 363 L CA -0.278 54.420 54.840 -0.237 0.000 0.828 363 L CB -0.255 41.708 42.059 -0.160 0.000 1.150 363 L HN 0.402 nan 8.230 nan 0.000 0.442 364 W N 5.842 127.045 121.300 -0.161 0.000 2.448 364 W HA 0.589 5.249 4.660 -0.000 0.000 0.339 364 W C 0.010 176.374 176.519 -0.260 0.000 1.124 364 W CA -0.238 57.018 57.345 -0.149 0.000 1.262 364 W CB 1.358 30.762 29.460 -0.094 0.000 1.251 364 W HN 0.309 nan 8.180 nan 0.000 0.597 365 I N 1.337 121.935 120.570 0.046 0.000 2.769 365 I HA 0.772 4.942 4.170 -0.000 0.000 0.298 365 I C 0.181 176.278 176.117 -0.033 0.000 1.128 365 I CA -0.638 60.513 61.300 -0.248 0.000 1.031 365 I CB 2.247 40.056 38.000 -0.318 0.000 1.235 365 I HN 0.547 nan 8.210 nan 0.000 0.423 366 G N 2.031 110.798 108.800 -0.055 0.000 2.600 366 G HA2 0.574 4.534 3.960 -0.000 0.000 0.293 366 G HA3 0.574 4.534 3.960 -0.000 0.000 0.293 366 G C -1.926 173.124 174.900 0.251 0.000 1.408 366 G CA -0.419 44.819 45.100 0.231 0.000 0.782 366 G HN 0.491 nan 8.290 nan 0.000 0.482 367 S N -0.890 114.937 115.700 0.212 0.000 2.652 367 S HA 0.333 4.803 4.470 -0.000 0.000 0.273 367 S C 1.018 175.653 174.600 0.059 0.000 1.172 367 S CA 0.065 58.335 58.200 0.117 0.000 1.009 367 S CB 1.168 64.395 63.200 0.045 0.000 1.094 367 S HN 1.472 nan 8.310 nan 0.000 0.471 368 V N 4.842 124.791 119.914 0.058 0.000 2.828 368 V HA -0.124 3.996 4.120 -0.000 0.000 0.260 368 V C 2.340 178.452 176.094 0.029 0.000 1.101 368 V CA 1.477 63.803 62.300 0.044 0.000 1.123 368 V CB -0.985 30.888 31.823 0.084 0.000 0.704 368 V HN 0.829 nan 8.190 nan 0.000 0.493 369 K N 1.759 122.152 120.400 -0.011 0.000 2.281 369 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 369 K C 2.416 179.038 176.600 0.038 0.000 1.046 369 K CA 1.645 57.921 56.287 -0.018 0.000 0.938 369 K CB -0.355 32.073 32.500 -0.120 0.000 0.737 369 K HN 0.752 nan 8.250 nan 0.000 0.458 370 S N 0.585 116.306 115.700 0.036 0.000 2.447 370 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 370 S C 1.359 176.005 174.600 0.076 0.000 1.006 370 S CA 1.342 59.593 58.200 0.086 0.000 0.957 370 S CB -0.205 63.013 63.200 0.030 0.000 0.773 370 S HN 0.346 nan 8.310 nan 0.000 0.507 371 N N 1.431 120.165 118.700 0.056 0.000 2.428 371 N HA 0.310 5.050 4.740 -0.000 0.000 0.181 371 N C 1.531 177.170 175.510 0.214 0.000 1.028 371 N CA 1.038 54.128 53.050 0.067 0.000 0.877 371 N CB -0.022 38.481 38.487 0.027 0.000 1.064 371 N HN 0.656 nan 8.380 nan 0.000 0.434 372 I N -3.380 117.309 120.570 0.198 0.000 4.154 372 I HA 0.546 4.716 4.170 -0.000 0.000 0.334 372 I C 0.730 176.939 176.117 0.153 0.000 1.371 372 I CA -0.437 60.986 61.300 0.205 0.000 1.110 372 I CB 0.253 38.348 38.000 0.158 0.000 1.085 372 I HN 0.045 nan 8.210 nan 0.000 0.398 373 G N 2.090 110.970 108.800 0.134 0.000 2.725 373 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 373 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 373 G C -0.789 174.194 174.900 0.139 0.000 1.357 373 G CA -0.093 45.089 45.100 0.137 0.000 0.866 373 G HN 0.625 nan 8.290 nan 0.000 0.548 374 H N 0.310 119.404 119.070 0.040 0.000 2.846 374 H HA 0.595 5.151 4.556 -0.000 0.000 0.278 374 H C 1.202 176.536 175.328 0.009 0.000 1.117 374 H CA 0.828 56.864 56.048 -0.021 0.000 1.406 374 H CB 0.871 30.577 29.762 -0.092 0.000 1.445 374 H HN 0.558 nan 8.280 nan 0.000 0.469 375 T N 4.515 119.288 114.554 0.366 0.000 3.186 375 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 375 T C 0.560 175.404 174.700 0.241 0.000 1.029 375 T CA 0.380 62.628 62.100 0.246 0.000 0.916 375 T CB -0.148 68.845 68.868 0.208 0.000 1.041 375 T HN 0.846 nan 8.240 nan 0.000 0.562 376 Q N -0.031 119.958 119.800 0.316 0.000 1.541 376 Q HA -0.325 4.015 4.340 -0.000 0.000 0.326 376 Q C 1.597 177.708 176.000 0.184 0.000 0.865 376 Q CA 1.275 57.159 55.803 0.134 0.000 0.872 376 Q CB -1.886 26.845 28.738 -0.011 0.000 3.307 376 Q HN 0.446 nan 8.270 nan 0.000 0.602 377 A N 0.280 123.174 122.820 0.123 0.000 2.019 377 A HA 0.083 4.403 4.320 -0.000 0.000 0.219 377 A C 2.037 179.698 177.584 0.127 0.000 1.164 377 A CA 2.498 54.602 52.037 0.113 0.000 0.644 377 A CB -0.622 18.428 19.000 0.083 0.000 0.805 377 A HN 0.698 nan 8.150 nan 0.000 0.449 378 A N -0.394 122.520 122.820 0.156 0.000 2.021 378 A HA 0.559 4.879 4.320 -0.000 0.000 0.216 378 A C 1.497 179.209 177.584 0.213 0.000 1.163 378 A CA 0.734 52.889 52.037 0.196 0.000 0.676 378 A CB -0.838 18.315 19.000 0.255 0.000 0.818 378 A HN 1.090 nan 8.150 nan 0.000 0.453 379 A N -1.182 121.751 122.820 0.188 0.000 2.561 379 A HA 0.416 4.736 4.320 -0.000 0.000 0.234 379 A C 1.715 179.360 177.584 0.102 0.000 1.055 379 A CA 0.895 53.005 52.037 0.121 0.000 0.756 379 A CB -0.596 18.467 19.000 0.105 0.000 0.986 379 A HN 2.043 nan 8.150 nan 0.000 0.505 380 G N 0.657 109.499 108.800 0.070 0.000 2.527 380 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 380 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 380 G C 1.123 176.076 174.900 0.088 0.000 1.177 380 G CA 0.739 45.871 45.100 0.054 0.000 0.695 380 G HN 1.381 nan 8.290 nan 0.000 0.517 381 V N 1.950 121.939 119.914 0.125 0.000 2.343 381 V HA 0.048 4.168 4.120 -0.000 0.000 0.247 381 V C 3.330 179.551 176.094 0.212 0.000 1.051 381 V CA 3.124 65.524 62.300 0.166 0.000 1.036 381 V CB -1.218 30.716 31.823 0.184 0.000 0.654 381 V HN 1.139 nan 8.190 nan 0.000 0.451 382 A N 0.654 123.586 122.820 0.187 0.000 1.902 382 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 382 A C 2.427 180.126 177.584 0.193 0.000 1.181 382 A CA 1.936 54.008 52.037 0.058 0.000 0.623 382 A CB -1.250 17.545 19.000 -0.342 0.000 0.818 382 A HN 0.520 nan 8.150 nan 0.000 0.443 383 G N -0.235 108.644 108.800 0.130 0.000 2.459 383 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 383 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 383 G C 1.026 176.022 174.900 0.160 0.000 1.183 383 G CA 1.041 46.220 45.100 0.132 0.000 0.776 383 G HN 0.356 nan 8.290 nan 0.000 0.552 387 A N 1.452 124.398 122.820 0.211 0.000 1.902 387 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 387 A C 1.971 179.637 177.584 0.138 0.000 1.181 387 A CA 1.861 54.032 52.037 0.223 0.000 0.623 387 A CB -0.562 18.586 19.000 0.246 0.000 0.818 387 A HN 0.115 nan 8.150 nan 0.000 0.443 388 V N 0.088 120.064 119.914 0.103 0.000 2.261 388 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 388 V C 2.591 178.650 176.094 -0.058 0.000 1.047 388 V CA 2.063 64.381 62.300 0.029 0.000 1.015 388 V CB -0.811 31.049 31.823 0.060 0.000 0.642 388 V HN 0.572 nan 8.190 nan 0.000 0.446 389 L N 0.104 121.305 121.223 -0.037 0.000 2.046 389 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 389 L C 2.742 179.327 176.870 -0.474 0.000 1.077 389 L CA 1.641 56.352 54.840 -0.215 0.000 0.747 389 L CB -0.862 41.160 42.059 -0.062 0.000 0.896 389 L HN 0.358 nan 8.230 nan 0.000 0.432 390 A N 0.124 122.813 122.820 -0.217 0.000 1.908 390 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 390 A C 2.266 179.781 177.584 -0.116 0.000 1.181 390 A CA 1.664 53.653 52.037 -0.080 0.000 0.627 390 A CB -0.746 18.347 19.000 0.155 0.000 0.818 390 A HN 0.355 nan 8.150 nan 0.000 0.445 391 L N -1.226 119.884 121.223 -0.187 0.000 1.994 391 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 391 L C 2.888 179.516 176.870 -0.402 0.000 1.071 391 L CA 1.720 56.308 54.840 -0.419 0.000 0.745 391 L CB -0.505 41.350 42.059 -0.341 0.000 0.892 391 L HN 0.331 nan 8.230 nan 0.000 0.431 392 R N -0.861 119.404 120.500 -0.393 0.000 2.105 392 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 392 R C 1.979 177.923 176.300 -0.593 0.000 1.135 392 R CA 1.631 57.438 56.100 -0.489 0.000 0.967 392 R CB -0.424 29.539 30.300 -0.562 0.000 0.861 392 R HN 0.497 nan 8.270 nan 0.000 0.442 393 H N -1.554 117.242 119.070 -0.456 0.000 2.553 393 H HA 0.201 4.757 4.556 -0.000 0.000 0.265 393 H C 0.999 176.218 175.328 -0.181 0.000 0.964 393 H CA 0.471 56.308 56.048 -0.351 0.000 1.156 393 H CB 0.750 30.178 29.762 -0.556 0.000 1.411 393 H HN 0.415 nan 8.280 nan 0.000 0.558 394 G N 0.846 109.577 108.800 -0.115 0.000 2.283 394 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.280 394 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.280 394 G C 0.102 175.095 174.900 0.154 0.000 1.029 394 G CA 0.841 45.921 45.100 -0.034 0.000 0.840 394 G HN 0.546 nan 8.290 nan 0.000 0.505 398 R N 0.498 120.885 120.500 -0.189 0.000 2.566 398 R HA 0.271 4.611 4.340 -0.000 0.000 0.273 398 R C -0.519 175.699 176.300 -0.136 0.000 0.981 398 R CA 0.823 56.827 56.100 -0.160 0.000 1.091 398 R CB 0.052 30.249 30.300 -0.173 0.000 0.924 398 R HN 0.433 nan 8.270 nan 0.000 0.411 399 T N 5.717 120.208 114.554 -0.106 0.000 2.806 399 T HA 0.288 4.638 4.350 -0.000 0.000 0.290 399 T C 0.435 175.084 174.700 -0.085 0.000 0.966 399 T CA -0.544 61.514 62.100 -0.071 0.000 1.060 399 T CB 0.717 69.571 68.868 -0.023 0.000 0.927 399 T HN 0.379 nan 8.240 nan 0.000 0.485 400 L N 3.141 124.272 121.223 -0.153 0.000 2.479 400 L HA 0.289 4.629 4.340 -0.000 0.000 0.248 400 L C 0.879 177.649 176.870 -0.167 0.000 1.205 400 L CA -0.859 53.780 54.840 -0.335 0.000 0.817 400 L CB 0.039 41.652 42.059 -0.743 0.000 1.162 400 L HN 0.816 nan 8.230 nan 0.000 0.486 401 H N -0.745 118.374 119.070 0.082 0.000 2.741 401 H HA -0.229 4.327 4.556 -0.000 0.000 0.305 401 H C -0.467 174.958 175.328 0.163 0.000 1.169 401 H CA 0.429 56.530 56.048 0.088 0.000 1.144 401 H CB -2.040 27.755 29.762 0.055 0.000 1.397 401 H HN 0.320 nan 8.280 nan 0.000 0.409 402 F N 1.788 121.781 119.950 0.071 0.000 2.425 402 F HA 0.329 4.856 4.527 -0.000 0.000 0.354 402 F C 1.133 176.966 175.800 0.055 0.000 1.162 402 F CA -0.026 58.018 58.000 0.073 0.000 1.250 402 F CB -0.380 38.656 39.000 0.059 0.000 1.579 402 F HN 0.373 nan 8.300 nan 0.000 0.589 403 D N 2.561 122.862 120.400 -0.165 0.000 2.173 403 D HA 0.086 4.726 4.640 -0.000 0.000 0.205 403 D C 0.867 176.985 176.300 -0.305 0.000 1.002 403 D CA 1.983 55.882 54.000 -0.169 0.000 0.881 403 D CB -0.534 40.197 40.800 -0.114 0.000 1.062 403 D HN 0.602 nan 8.370 nan 0.000 0.459 404 E N -0.434 119.515 120.200 -0.417 0.000 2.392 404 E HA 0.631 4.981 4.350 -0.000 0.000 0.269 404 E C -3.034 173.195 176.600 -0.619 0.000 0.924 404 E CA -1.414 54.740 56.400 -0.409 0.000 0.784 404 E CB 1.247 30.839 29.700 -0.180 0.000 1.292 404 E HN 0.356 nan 8.360 nan 0.000 0.447 405 P HA 0.172 nan 4.420 nan 0.000 0.268 405 P C -0.053 177.335 177.300 0.147 0.000 1.205 405 P CA -0.067 62.916 63.100 -0.194 0.000 0.771 405 P CB 1.102 32.510 31.700 -0.486 0.000 0.858 406 S N 4.471 120.436 115.700 0.441 0.000 2.544 406 S HA 0.049 4.519 4.470 -0.000 0.000 0.290 406 S C -1.110 173.700 174.600 0.349 0.000 1.276 406 S CA -0.886 57.506 58.200 0.320 0.000 1.075 406 S CB -0.341 63.026 63.200 0.278 0.000 0.849 406 S HN 0.323 nan 8.310 nan 0.000 0.494 407 P HA -0.025 nan 4.420 nan 0.000 0.230 407 P C 0.467 177.840 177.300 0.122 0.000 1.158 407 P CA 0.734 63.928 63.100 0.158 0.000 0.769 407 P CB 0.147 31.901 31.700 0.090 0.000 0.807 408 Q N -0.660 119.193 119.800 0.089 0.000 2.360 408 Q HA 0.215 4.555 4.340 -0.000 0.000 0.202 408 Q C 0.731 176.719 176.000 -0.020 0.000 0.915 408 Q CA 0.230 56.059 55.803 0.044 0.000 0.943 408 Q CB -0.166 28.593 28.738 0.035 0.000 1.064 408 Q HN 0.323 nan 8.270 nan 0.000 0.511 409 I N 1.287 121.769 120.570 -0.147 0.000 2.353 409 I HA 0.117 4.287 4.170 -0.000 0.000 0.293 409 I C 0.213 176.161 176.117 -0.280 0.000 0.992 409 I CA -0.353 60.659 61.300 -0.480 0.000 1.268 409 I CB 1.442 38.712 38.000 -1.217 0.000 1.387 409 I HN -0.006 nan 8.210 nan 0.000 0.478 410 E N 6.021 126.255 120.200 0.058 0.000 2.261 410 E HA 0.055 4.405 4.350 -0.000 0.000 0.308 410 E C -0.984 175.656 176.600 0.066 0.000 1.400 410 E CA -0.262 56.188 56.400 0.082 0.000 1.542 410 E CB 0.004 29.740 29.700 0.061 0.000 1.369 410 E HN 0.390 nan 8.360 nan 0.000 0.493 411 W N 0.538 121.884 121.300 0.076 0.000 2.124 411 W HA 0.065 4.725 4.660 0.000 0.000 0.356 411 W C 1.515 178.045 176.519 0.018 0.000 1.302 411 W CA 1.398 58.761 57.345 0.030 0.000 1.293 411 W CB -0.031 29.437 29.460 0.014 0.000 1.199 411 W HN 0.564 nan 8.180 nan 0.000 0.606 412 D N -1.501 119.056 120.400 0.263 0.000 2.945 412 D HA -0.131 4.509 4.640 -0.000 0.000 0.225 412 D C 0.301 176.654 176.300 0.088 0.000 1.158 412 D CA 1.275 55.353 54.000 0.130 0.000 0.805 412 D CB -1.868 38.996 40.800 0.108 0.000 1.098 412 D HN 1.156 nan 8.370 nan 0.000 0.426 413 L N -1.764 119.509 121.223 0.082 0.000 2.685 413 L HA 0.788 5.128 4.340 -0.000 0.000 0.233 413 L C 1.600 178.489 176.870 0.030 0.000 1.173 413 L CA 1.443 56.307 54.840 0.039 0.000 0.961 413 L CB -0.236 41.835 42.059 0.019 0.000 1.217 413 L HN 2.143 nan 8.230 nan 0.000 0.478 414 G N -3.924 104.900 108.800 0.040 0.000 2.336 414 G HA2 0.555 4.515 3.960 -0.000 0.000 0.300 414 G HA3 0.555 4.515 3.960 -0.000 0.000 0.300 414 G C 0.441 175.352 174.900 0.019 0.000 1.375 414 G CA -0.004 45.111 45.100 0.024 0.000 0.885 414 G HN 1.073 nan 8.290 nan 0.000 0.599 415 A N -0.580 122.233 122.820 -0.013 0.000 1.826 415 A HA 0.501 4.821 4.320 -0.000 0.000 0.214 415 A C 1.584 179.094 177.584 -0.123 0.000 1.212 415 A CA 1.660 53.657 52.037 -0.066 0.000 0.605 415 A CB -1.056 17.898 19.000 -0.075 0.000 0.861 415 A HN 2.179 nan 8.150 nan 0.000 0.447 416 V N 1.522 121.351 119.914 -0.141 0.000 5.698 416 V HA -0.178 3.942 4.120 -0.000 0.000 0.273 416 V C 0.215 176.188 176.094 -0.202 0.000 0.770 416 V CA 0.784 62.984 62.300 -0.167 0.000 0.993 416 V CB -1.965 29.833 31.823 -0.042 0.000 1.119 416 V HN 0.526 nan 8.190 nan 0.000 0.431 417 S N 3.519 118.917 115.700 -0.505 0.000 2.607 417 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 417 S C -0.173 174.215 174.600 -0.352 0.000 1.086 417 S CA -0.770 57.081 58.200 -0.582 0.000 0.995 417 S CB 2.333 64.846 63.200 -1.146 0.000 1.084 417 S HN 0.515 nan 8.310 nan 0.000 0.507 418 V N 2.278 122.059 119.914 -0.222 0.000 2.439 418 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 418 V C 0.114 176.234 176.094 0.043 0.000 1.039 418 V CA -0.726 61.484 62.300 -0.149 0.000 0.913 418 V CB 1.583 33.124 31.823 -0.469 0.000 0.983 418 V HN 0.701 nan 8.190 nan 0.000 0.460 419 V N 5.127 125.124 119.914 0.139 0.000 2.387 419 V HA 0.282 4.402 4.120 -0.000 0.000 0.260 419 V C 1.081 177.084 176.094 -0.152 0.000 1.054 419 V CA 0.989 63.307 62.300 0.030 0.000 0.967 419 V CB 0.895 32.664 31.823 -0.090 0.000 1.036 419 V HN 1.069 nan 8.190 nan 0.000 0.481 420 S N 3.192 118.801 115.700 -0.153 0.000 2.502 420 S HA 0.307 4.777 4.470 -0.000 0.000 0.228 420 S C 0.965 175.526 174.600 -0.066 0.000 1.061 420 S CA 0.662 58.785 58.200 -0.128 0.000 0.935 420 S CB -0.161 63.046 63.200 0.010 0.000 0.809 420 S HN 1.514 nan 8.310 nan 0.000 0.510 421 Q N 0.878 120.630 119.800 -0.081 0.000 2.266 421 Q HA 0.837 5.177 4.340 -0.000 0.000 0.261 421 Q C -0.160 175.745 176.000 -0.157 0.000 0.985 421 Q CA -0.719 55.025 55.803 -0.098 0.000 0.873 421 Q CB 0.920 29.615 28.738 -0.072 0.000 1.306 421 Q HN 0.967 nan 8.270 nan 0.000 0.447 422 A N 2.882 125.611 122.820 -0.151 0.000 2.505 422 A HA 0.418 4.738 4.320 -0.000 0.000 0.271 422 A C 0.281 177.752 177.584 -0.188 0.000 1.112 422 A CA -0.086 51.848 52.037 -0.171 0.000 0.781 422 A CB -0.182 18.729 19.000 -0.149 0.000 1.059 422 A HN 0.735 nan 8.150 nan 0.000 0.508 423 R N 1.323 121.662 120.500 -0.268 0.000 2.541 423 R HA 0.639 4.979 4.340 -0.000 0.000 0.254 423 R C 0.362 176.543 176.300 -0.199 0.000 1.130 423 R CA 0.049 55.961 56.100 -0.314 0.000 1.152 423 R CB 1.077 31.018 30.300 -0.598 0.000 1.222 423 R HN 0.816 nan 8.270 nan 0.000 0.579 424 S N -0.750 114.856 115.700 -0.156 0.000 2.632 424 S HA 0.527 4.997 4.470 -0.000 0.000 0.289 424 S C -1.729 172.908 174.600 0.061 0.000 1.115 424 S CA -0.750 57.439 58.200 -0.018 0.000 0.889 424 S CB 1.918 65.121 63.200 0.005 0.000 1.116 424 S HN 0.662 nan 8.310 nan 0.000 0.486 425 W N 3.586 124.831 121.300 -0.093 0.000 2.258 425 W HA 0.454 5.114 4.660 -0.000 0.000 0.287 425 W C -3.050 173.438 176.519 -0.051 0.000 1.024 425 W CA -2.220 55.078 57.345 -0.079 0.000 1.377 425 W CB 0.893 30.293 29.460 -0.099 0.000 1.351 425 W HN 0.629 nan 8.180 nan 0.000 0.334 426 P HA 0.372 nan 4.420 nan 0.000 0.285 426 P C -0.113 177.148 177.300 -0.064 0.000 1.259 426 P CA -0.132 62.974 63.100 0.011 0.000 0.794 426 P CB 1.310 33.030 31.700 0.034 0.000 0.940 427 A N 3.287 126.034 122.820 -0.123 0.000 2.526 427 A HA 0.443 4.763 4.320 -0.000 0.000 0.267 427 A C 1.000 178.541 177.584 -0.073 0.000 1.095 427 A CA 0.511 52.462 52.037 -0.144 0.000 0.775 427 A CB -0.953 17.964 19.000 -0.139 0.000 1.036 427 A HN 0.682 nan 8.150 nan 0.000 0.510 428 G N 0.534 109.301 108.800 -0.054 0.000 2.552 428 G HA2 0.528 4.488 3.960 -0.000 0.000 0.318 428 G HA3 0.528 4.488 3.960 -0.000 0.000 0.318 428 G C 0.857 175.750 174.900 -0.011 0.000 1.240 428 G CA 0.400 45.494 45.100 -0.010 0.000 1.002 428 G HN 0.935 nan 8.290 nan 0.000 0.493 429 E N -0.086 120.117 120.200 0.005 0.000 2.086 429 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 429 E C 1.450 178.057 176.600 0.011 0.000 1.012 429 E CA 0.976 57.380 56.400 0.007 0.000 0.812 429 E CB -0.538 29.172 29.700 0.016 0.000 0.743 429 E HN 0.438 nan 8.360 nan 0.000 0.453 430 R N 0.944 121.458 120.500 0.024 0.000 2.543 430 R HA 0.306 4.646 4.340 -0.000 0.000 0.277 430 R C -2.401 173.906 176.300 0.013 0.000 1.074 430 R CA -2.851 53.268 56.100 0.031 0.000 1.076 430 R CB -0.306 30.029 30.300 0.059 0.000 0.993 430 R HN 0.219 nan 8.270 nan 0.000 0.459 431 P HA 0.193 nan 4.420 nan 0.000 0.271 431 P C -0.411 176.900 177.300 0.019 0.000 1.216 431 P CA -0.153 62.943 63.100 -0.007 0.000 0.776 431 P CB 0.582 32.284 31.700 0.003 0.000 0.881 432 R N 2.872 123.349 120.500 -0.039 0.000 2.404 432 R HA 0.566 4.906 4.340 -0.000 0.000 0.291 432 R C 0.486 176.828 176.300 0.069 0.000 1.025 432 R CA -0.669 55.440 56.100 0.015 0.000 0.991 432 R CB 1.142 31.245 30.300 -0.327 0.000 1.053 432 R HN 0.518 nan 8.270 nan 0.000 0.479 433 R N 0.832 121.483 120.500 0.252 0.000 2.808 433 R HA 0.788 5.128 4.340 -0.000 0.000 0.272 433 R C -1.421 175.107 176.300 0.381 0.000 0.995 433 R CA -1.117 55.131 56.100 0.247 0.000 0.917 433 R CB 1.936 32.344 30.300 0.181 0.000 1.217 433 R HN 0.599 nan 8.270 nan 0.000 0.471 434 A N 0.450 123.458 122.820 0.313 0.000 2.423 434 A HA 0.841 5.161 4.320 -0.000 0.000 0.304 434 A C -0.594 177.079 177.584 0.148 0.000 1.104 434 A CA -0.561 51.657 52.037 0.302 0.000 0.757 434 A CB 2.098 21.359 19.000 0.436 0.000 1.313 434 A HN 0.811 nan 8.150 nan 0.000 0.423 435 G N -0.602 108.220 108.800 0.036 0.000 2.420 435 G HA2 0.584 4.544 3.960 -0.000 0.000 0.331 435 G HA3 0.584 4.544 3.960 -0.000 0.000 0.331 435 G C -1.362 173.412 174.900 -0.210 0.000 1.168 435 G CA -0.492 44.569 45.100 -0.065 0.000 0.936 435 G HN 0.976 nan 8.290 nan 0.000 0.479 436 V N 1.122 120.789 119.914 -0.413 0.000 2.577 436 V HA 0.584 4.704 4.120 -0.000 0.000 0.303 436 V C -0.208 175.611 176.094 -0.457 0.000 1.042 436 V CA -0.825 61.305 62.300 -0.284 0.000 0.872 436 V CB 1.643 33.395 31.823 -0.117 0.000 0.998 436 V HN 0.927 nan 8.190 nan 0.000 0.423 437 S N 2.769 118.303 115.700 -0.277 0.000 2.568 437 S HA 0.835 5.305 4.470 -0.000 0.000 0.302 437 S C -0.395 173.893 174.600 -0.520 0.000 1.082 437 S CA -0.830 57.196 58.200 -0.291 0.000 1.009 437 S CB 1.986 65.154 63.200 -0.054 0.000 1.069 437 S HN 0.684 nan 8.310 nan 0.000 0.500 438 S N 0.928 116.182 115.700 -0.745 0.000 2.575 438 S HA 0.735 5.205 4.470 -0.000 0.000 0.278 438 S C -1.996 172.044 174.600 -0.934 0.000 1.139 438 S CA -0.646 57.083 58.200 -0.784 0.000 0.954 438 S CB 0.213 63.250 63.200 -0.272 0.000 1.054 438 S HN 0.477 nan 8.310 nan 0.000 0.483 439 F N 2.303 121.684 119.950 -0.948 0.000 2.477 439 F HA 0.596 5.123 4.527 -0.000 0.000 0.335 439 F C 0.871 176.517 175.800 -0.258 0.000 1.130 439 F CA -1.095 56.601 58.000 -0.506 0.000 0.948 439 F CB 1.602 40.369 39.000 -0.388 0.000 1.154 439 F HN 0.624 nan 8.300 nan 0.000 0.439 440 G N 2.676 111.536 108.800 0.100 0.000 2.372 440 G HA2 0.403 4.363 3.960 -0.000 0.000 0.283 440 G HA3 0.403 4.363 3.960 -0.000 0.000 0.283 440 G C 0.929 175.898 174.900 0.115 0.000 1.177 440 G CA -0.393 44.768 45.100 0.101 0.000 0.842 440 G HN 0.820 nan 8.290 nan 0.000 0.503 441 I N 1.892 122.536 120.570 0.123 0.000 2.151 441 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 441 I C 2.841 179.009 176.117 0.085 0.000 1.080 441 I CA 2.101 63.470 61.300 0.116 0.000 1.339 441 I CB 0.201 38.277 38.000 0.127 0.000 1.039 441 I HN 0.564 nan 8.210 nan 0.000 0.409 442 S N -0.060 115.682 115.700 0.069 0.000 2.595 442 S HA 0.102 4.572 4.470 -0.000 0.000 0.235 442 S C 1.496 176.120 174.600 0.041 0.000 0.974 442 S CA 0.493 58.722 58.200 0.049 0.000 0.942 442 S CB 0.007 63.232 63.200 0.042 0.000 0.766 442 S HN 0.736 nan 8.310 nan 0.000 0.536 443 G N -0.360 108.469 108.800 0.047 0.000 2.175 443 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.182 443 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.182 443 G C 0.033 174.951 174.900 0.030 0.000 1.003 443 G CA -0.100 45.019 45.100 0.031 0.000 0.666 443 G HN 0.529 nan 8.290 nan 0.000 0.506 444 T N 1.158 115.740 114.554 0.046 0.000 2.829 444 T HA 0.575 4.925 4.350 -0.000 0.000 0.282 444 T C 0.032 174.779 174.700 0.078 0.000 0.990 444 T CA -0.205 61.922 62.100 0.045 0.000 1.028 444 T CB 1.047 69.938 68.868 0.038 0.000 0.951 444 T HN 0.391 nan 8.240 nan 0.000 0.460 445 N N 0.782 119.537 118.700 0.092 0.000 2.319 445 N HA 0.735 5.475 4.740 -0.000 0.000 0.305 445 N C -1.027 174.557 175.510 0.123 0.000 1.103 445 N CA -0.849 52.325 53.050 0.206 0.000 0.815 445 N CB 1.795 40.425 38.487 0.239 0.000 1.288 445 N HN 0.688 nan 8.380 nan 0.000 0.493 446 A N 0.984 123.867 122.820 0.104 0.000 2.469 446 A HA 0.715 5.035 4.320 -0.000 0.000 0.299 446 A C -1.628 176.008 177.584 0.088 0.000 1.098 446 A CA -0.370 51.686 52.037 0.032 0.000 0.737 446 A CB 1.301 20.279 19.000 -0.037 0.000 1.312 446 A HN 0.865 nan 8.150 nan 0.000 0.414 447 H N -0.970 118.091 119.070 -0.015 0.000 3.087 447 H HA 0.563 5.119 4.556 -0.000 0.000 0.348 447 H C -1.823 173.524 175.328 0.031 0.000 1.092 447 H CA -0.242 55.815 56.048 0.016 0.000 1.285 447 H CB 1.796 31.610 29.762 0.088 0.000 1.875 447 H HN 0.979 nan 8.280 nan 0.000 0.512 448 V N 6.287 126.089 119.914 -0.185 0.000 2.876 448 V HA 0.607 4.727 4.120 -0.000 0.000 0.312 448 V C -1.217 174.836 176.094 -0.068 0.000 1.085 448 V CA -0.643 61.632 62.300 -0.043 0.000 0.945 448 V CB 1.822 33.637 31.823 -0.012 0.000 1.017 448 V HN 0.789 nan 8.190 nan 0.000 0.428 449 I N 5.524 126.124 120.570 0.050 0.000 2.406 449 I HA 0.581 4.751 4.170 -0.000 0.000 0.290 449 I C -0.883 175.282 176.117 0.080 0.000 0.999 449 I CA -0.734 60.621 61.300 0.092 0.000 1.124 449 I CB 2.018 40.114 38.000 0.160 0.000 1.289 449 I HN 0.427 nan 8.210 nan 0.000 0.441 450 V N 5.962 125.930 119.914 0.089 0.000 2.540 450 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 450 V C -0.317 175.827 176.094 0.083 0.000 1.035 450 V CA -0.639 61.708 62.300 0.078 0.000 0.873 450 V CB 1.911 33.785 31.823 0.085 0.000 0.992 450 V HN 0.720 nan 8.190 nan 0.000 0.428 451 E N 2.466 122.694 120.200 0.047 0.000 2.336 451 E HA 0.468 4.818 4.350 -0.000 0.000 0.267 451 E C -0.555 176.027 176.600 -0.030 0.000 0.906 451 E CA -0.769 55.645 56.400 0.023 0.000 0.781 451 E CB 2.089 31.808 29.700 0.031 0.000 1.261 451 E HN 0.900 nan 8.360 nan 0.000 0.436 452 E N 1.279 121.430 120.200 -0.082 0.000 2.398 452 E HA 0.352 4.702 4.350 -0.000 0.000 0.263 452 E C -0.466 176.082 176.600 -0.087 0.000 1.046 452 E CA -0.566 55.754 56.400 -0.132 0.000 0.908 452 E CB 0.816 30.392 29.700 -0.206 0.000 0.963 452 E HN 0.472 nan 8.360 nan 0.000 0.431 453 A N 3.795 126.559 122.820 -0.092 0.000 2.483 453 A HA 0.267 4.587 4.320 -0.000 0.000 0.238 453 A C -1.784 175.765 177.584 -0.059 0.000 1.070 453 A CA -0.978 51.021 52.037 -0.063 0.000 0.770 453 A CB -0.382 18.578 19.000 -0.067 0.000 1.008 453 A HN 0.691 nan 8.150 nan 0.000 0.497 454 P HA 0.250 nan 4.420 nan 0.000 0.279 454 P C -0.665 176.613 177.300 -0.036 0.000 1.276 454 P CA -0.602 62.479 63.100 -0.032 0.000 0.801 454 P CB 0.378 32.069 31.700 -0.014 0.000 1.127 455 E N -0.531 119.651 120.200 -0.031 0.000 2.442 455 E HA 0.296 4.646 4.350 -0.000 0.000 0.262 455 E C -0.131 176.452 176.600 -0.027 0.000 1.004 455 E CA 0.246 56.627 56.400 -0.032 0.000 0.928 455 E CB -0.080 29.605 29.700 -0.025 0.000 0.937 455 E HN 0.486 nan 8.360 nan 0.000 0.446 456 A N 4.012 126.814 122.820 -0.030 0.000 2.323 456 A HA 0.534 4.854 4.320 -0.000 0.000 0.305 456 A C -0.537 177.034 177.584 -0.023 0.000 1.275 456 A CA -0.622 51.400 52.037 -0.025 0.000 0.804 456 A CB 0.585 19.568 19.000 -0.029 0.000 1.152 456 A HN 0.700 nan 8.150 nan 0.000 0.487 467 P HA 0.514 nan 4.420 nan 0.000 0.270 467 P C -0.630 176.709 177.300 0.065 0.000 1.227 467 P CA -0.269 62.865 63.100 0.056 0.000 0.788 467 P CB 1.566 33.302 31.700 0.060 0.000 0.926 468 V N 2.037 121.983 119.914 0.052 0.000 2.932 468 V HA 0.347 4.467 4.120 -0.000 0.000 0.307 468 V C -2.581 173.506 176.094 -0.013 0.000 1.147 468 V CA -1.613 60.699 62.300 0.021 0.000 0.951 468 V CB 2.747 34.635 31.823 0.107 0.000 1.031 468 V HN 0.595 nan 8.190 nan 0.000 0.426 469 P HA 0.407 nan 4.420 nan 0.000 0.287 469 P C -1.235 175.961 177.300 -0.172 0.000 1.294 469 P CA -0.208 62.772 63.100 -0.199 0.000 0.776 469 P CB 0.915 32.374 31.700 -0.402 0.000 0.889 470 L N 4.068 125.177 121.223 -0.190 0.000 2.287 470 L HA 0.543 4.883 4.340 -0.000 0.000 0.287 470 L C 0.311 177.001 176.870 -0.300 0.000 1.022 470 L CA -0.996 53.728 54.840 -0.193 0.000 0.814 470 L CB 2.016 44.020 42.059 -0.093 0.000 1.217 470 L HN 0.154 nan 8.230 nan 0.000 0.420 471 V N 6.340 126.016 119.914 -0.396 0.000 2.555 471 V HA 0.773 4.893 4.120 -0.000 0.000 0.302 471 V C -0.875 175.099 176.094 -0.200 0.000 1.038 471 V CA -0.399 61.645 62.300 -0.428 0.000 0.887 471 V CB 1.990 33.269 31.823 -0.907 0.000 0.991 471 V HN 0.634 nan 8.190 nan 0.000 0.434 472 L N 3.845 125.041 121.223 -0.046 0.000 2.710 472 L HA 1.030 5.370 4.340 -0.000 0.000 0.260 472 L C -0.734 176.219 176.870 0.140 0.000 0.993 472 L CA -0.328 54.533 54.840 0.035 0.000 0.877 472 L CB 1.788 43.847 42.059 0.000 0.000 1.461 472 L HN 0.830 nan 8.230 nan 0.000 0.413 473 S N -0.988 114.832 115.700 0.199 0.000 2.565 473 S HA 0.992 5.462 4.470 -0.000 0.000 0.269 473 S C -0.623 174.231 174.600 0.424 0.000 1.153 473 S CA -0.118 58.262 58.200 0.300 0.000 0.835 473 S CB 1.392 64.784 63.200 0.319 0.000 1.122 473 S HN 1.602 nan 8.310 nan 0.000 0.462 474 G N 0.273 109.308 108.800 0.392 0.000 2.660 474 G HA2 0.544 4.504 3.960 -0.000 0.000 0.294 474 G HA3 0.544 4.504 3.960 -0.000 0.000 0.294 474 G C 0.045 175.099 174.900 0.256 0.000 1.369 474 G CA -1.004 44.282 45.100 0.310 0.000 0.912 474 G HN 0.501 nan 8.290 nan 0.000 0.479 475 R N -0.168 120.365 120.500 0.055 0.000 2.235 475 R HA 0.081 4.421 4.340 -0.000 0.000 0.213 475 R C 0.219 176.545 176.300 0.043 0.000 1.059 475 R CA 0.983 57.065 56.100 -0.029 0.000 0.997 475 R CB -0.362 29.776 30.300 -0.269 0.000 0.884 475 R HN 0.765 nan 8.270 nan 0.000 0.462 476 D N -1.980 118.377 120.400 -0.073 0.000 2.592 476 D HA 0.081 4.721 4.640 -0.000 0.000 0.263 476 D C 0.501 176.468 176.300 -0.556 0.000 1.132 476 D CA -0.773 53.017 54.000 -0.351 0.000 0.996 476 D CB 0.551 41.227 40.800 -0.207 0.000 1.442 476 D HN -0.254 nan 8.370 nan 0.000 0.486 477 E N -0.293 119.442 120.200 -0.774 0.000 2.058 477 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 477 E C 1.834 178.309 176.600 -0.208 0.000 0.997 477 E CA 1.999 58.130 56.400 -0.449 0.000 0.801 477 E CB 0.016 29.557 29.700 -0.265 0.000 0.746 477 E HN 0.546 nan 8.360 nan 0.000 0.450 478 Q N 0.064 119.752 119.800 -0.187 0.000 2.096 478 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 478 Q C 0.646 176.559 176.000 -0.146 0.000 0.982 478 Q CA 1.204 56.927 55.803 -0.133 0.000 0.850 478 Q CB -0.301 28.368 28.738 -0.116 0.000 0.901 478 Q HN 0.329 nan 8.270 nan 0.000 0.422 482 A N 1.378 124.134 122.820 -0.108 0.000 1.933 482 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 482 A C 2.012 179.519 177.584 -0.128 0.000 1.175 482 A CA 1.815 53.776 52.037 -0.126 0.000 0.628 482 A CB -0.333 18.559 19.000 -0.179 0.000 0.814 482 A HN 0.244 nan 8.150 nan 0.000 0.444 483 Q N -0.295 119.420 119.800 -0.142 0.000 2.124 483 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 483 Q C 2.060 178.024 176.000 -0.061 0.000 0.977 483 Q CA 1.900 57.634 55.803 -0.115 0.000 0.850 483 Q CB -0.495 28.190 28.738 -0.089 0.000 0.901 483 Q HN 0.587 nan 8.270 nan 0.000 0.429 484 A N -0.389 122.404 122.820 -0.044 0.000 1.898 484 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 484 A C 2.271 179.842 177.584 -0.020 0.000 1.181 484 A CA 1.514 53.536 52.037 -0.024 0.000 0.620 484 A CB -1.357 17.633 19.000 -0.016 0.000 0.819 484 A HN 0.539 nan 8.150 nan 0.000 0.442 485 G N -0.429 108.353 108.800 -0.029 0.000 2.446 485 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 485 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 485 G C 1.747 176.640 174.900 -0.012 0.000 1.168 485 G CA 1.016 46.103 45.100 -0.021 0.000 0.771 485 G HN 0.553 nan 8.290 nan 0.000 0.551 486 R N -0.657 119.828 120.500 -0.026 0.000 2.120 486 R HA 0.106 4.446 4.340 -0.000 0.000 0.234 486 R C 2.382 178.695 176.300 0.023 0.000 1.123 486 R CA 0.444 56.539 56.100 -0.009 0.000 0.975 486 R CB -0.281 29.994 30.300 -0.040 0.000 0.866 486 R HN 0.213 nan 8.270 nan 0.000 0.446 487 L N 0.046 121.274 121.223 0.009 0.000 2.109 487 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 487 L C 2.252 179.165 176.870 0.073 0.000 1.086 487 L CA 1.667 56.529 54.840 0.038 0.000 0.760 487 L CB -1.243 40.819 42.059 0.005 0.000 0.910 487 L HN 0.186 nan 8.230 nan 0.000 0.437 488 A N -0.174 122.669 122.820 0.038 0.000 1.858 488 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 488 A C 1.939 179.546 177.584 0.038 0.000 1.190 488 A CA 1.836 53.891 52.037 0.030 0.000 0.617 488 A CB -0.515 18.493 19.000 0.013 0.000 0.827 488 A HN 0.404 nan 8.150 nan 0.000 0.443 489 D N -1.119 119.307 120.400 0.044 0.000 2.104 489 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 489 D C 1.789 178.127 176.300 0.064 0.000 0.994 489 D CA 1.583 55.610 54.000 0.045 0.000 0.830 489 D CB -0.749 40.078 40.800 0.045 0.000 0.959 489 D HN 0.715 nan 8.370 nan 0.000 0.452 490 H N 0.213 119.285 119.070 0.004 0.000 2.426 490 H HA -0.127 4.428 4.556 -0.000 0.000 0.298 490 H C 1.859 177.191 175.328 0.007 0.000 1.107 490 H CA 0.850 56.903 56.048 0.008 0.000 1.298 490 H CB 0.067 29.831 29.762 0.004 0.000 1.377 490 H HN 0.051 nan 8.280 nan 0.000 0.519 491 L N 0.329 121.524 121.223 -0.046 0.000 2.253 491 L HA 0.151 4.491 4.340 -0.000 0.000 0.205 491 L C 2.870 179.700 176.870 -0.066 0.000 1.078 491 L CA 1.417 56.206 54.840 -0.084 0.000 0.805 491 L CB -0.993 41.075 42.059 0.015 0.000 0.963 491 L HN 0.291 nan 8.230 nan 0.000 0.459 492 A N -0.462 122.341 122.820 -0.029 0.000 1.855 492 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 492 A C 2.424 179.990 177.584 -0.030 0.000 1.191 492 A CA 1.537 53.562 52.037 -0.021 0.000 0.613 492 A CB -0.393 18.604 19.000 -0.005 0.000 0.829 492 A HN 0.342 nan 8.150 nan 0.000 0.442 493 R N -0.847 119.634 120.500 -0.031 0.000 2.090 493 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 493 R C 0.259 176.535 176.300 -0.040 0.000 1.110 493 R CA 1.177 57.263 56.100 -0.023 0.000 0.973 493 R CB 0.071 30.369 30.300 -0.004 0.000 0.869 493 R HN 0.434 nan 8.270 nan 0.000 0.440 494 E N 0.934 121.083 120.200 -0.084 0.000 2.183 494 E HA 0.137 4.487 4.350 -0.000 0.000 0.250 494 E C -2.146 174.392 176.600 -0.103 0.000 0.901 494 E CA -2.700 53.646 56.400 -0.091 0.000 0.741 494 E CB 1.253 30.883 29.700 -0.118 0.000 1.182 494 E HN -0.091 nan 8.360 nan 0.000 0.425 495 P HA -0.010 nan 4.420 nan 0.000 0.249 495 P C 0.684 177.960 177.300 -0.041 0.000 1.241 495 P CA 0.227 63.298 63.100 -0.048 0.000 0.781 495 P CB 0.217 31.901 31.700 -0.028 0.000 1.088 496 R N -0.065 120.408 120.500 -0.045 0.000 2.189 496 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 496 R C 0.375 176.654 176.300 -0.035 0.000 1.012 496 R CA 0.005 56.086 56.100 -0.031 0.000 1.015 496 R CB -0.327 29.959 30.300 -0.023 0.000 0.938 496 R HN -0.045 nan 8.270 nan 0.000 0.472 497 N N 2.387 121.044 118.700 -0.071 0.000 2.417 497 N HA -0.094 4.646 4.740 -0.000 0.000 0.272 497 N C -0.865 174.632 175.510 -0.022 0.000 1.304 497 N CA 0.495 53.504 53.050 -0.068 0.000 0.906 497 N CB 1.211 39.555 38.487 -0.239 0.000 1.135 497 N HN 0.148 nan 8.380 nan 0.000 0.483 498 S N 3.017 118.727 115.700 0.016 0.000 2.506 498 S HA -0.031 4.439 4.470 -0.000 0.000 0.291 498 S C 1.643 176.275 174.600 0.053 0.000 1.230 498 S CA -0.714 57.505 58.200 0.032 0.000 1.107 498 S CB 0.041 63.263 63.200 0.037 0.000 0.942 498 S HN 0.480 nan 8.310 nan 0.000 0.502 499 L N 6.326 127.579 121.223 0.050 0.000 2.021 499 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 499 L C 2.500 179.429 176.870 0.098 0.000 1.074 499 L CA 2.369 57.249 54.840 0.067 0.000 0.760 499 L CB -0.627 41.467 42.059 0.059 0.000 0.889 499 L HN 0.832 nan 8.230 nan 0.000 0.433 500 R N -0.859 119.713 120.500 0.120 0.000 2.081 500 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 500 R C 1.841 178.225 176.300 0.139 0.000 1.131 500 R CA 1.932 58.154 56.100 0.203 0.000 0.960 500 R CB -0.281 30.128 30.300 0.182 0.000 0.856 500 R HN 0.437 nan 8.270 nan 0.000 0.436 501 D N -0.762 119.689 120.400 0.086 0.000 2.183 501 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 501 D C 1.665 177.993 176.300 0.046 0.000 0.969 501 D CA 1.437 55.487 54.000 0.083 0.000 0.842 501 D CB -0.206 40.638 40.800 0.073 0.000 0.957 501 D HN 0.263 nan 8.370 nan 0.000 0.484 502 T N -0.267 114.307 114.554 0.033 0.000 2.708 502 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 502 T C 2.018 176.640 174.700 -0.131 0.000 1.037 502 T CA 1.477 63.575 62.100 -0.003 0.000 1.146 502 T CB -0.639 68.274 68.868 0.075 0.000 0.865 502 T HN 0.250 nan 8.240 nan 0.000 0.435 503 G N 0.850 109.561 108.800 -0.149 0.000 2.421 503 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 503 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 503 G C 1.364 175.719 174.900 -0.908 0.000 1.171 503 G CA 0.544 45.449 45.100 -0.325 0.000 0.775 503 G HN 0.448 nan 8.290 nan 0.000 0.543 504 F N 2.397 121.560 119.950 -1.313 0.000 2.091 504 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 504 F C 2.759 178.228 175.800 -0.552 0.000 1.103 504 F CA 2.228 59.520 58.000 -1.181 0.000 1.228 504 F CB -0.694 37.936 39.000 -0.617 0.000 0.984 504 F HN 0.123 nan 8.300 nan 0.000 0.477 505 T N 1.338 115.577 114.554 -0.525 0.000 2.777 505 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 505 T C 2.199 176.649 174.700 -0.417 0.000 1.040 505 T CA 1.546 63.354 62.100 -0.487 0.000 1.141 505 T CB -0.552 68.181 68.868 -0.225 0.000 0.868 505 T HN 0.258 nan 8.240 nan 0.000 0.444 506 L N 0.543 121.554 121.223 -0.353 0.000 2.131 506 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 506 L C 2.764 179.460 176.870 -0.290 0.000 1.092 506 L CA 1.147 55.824 54.840 -0.271 0.000 0.759 506 L CB -0.392 41.517 42.059 -0.250 0.000 0.903 506 L HN 0.266 nan 8.230 nan 0.000 0.435 507 A N -1.209 121.380 122.820 -0.386 0.000 2.095 507 A HA -0.053 4.267 4.320 -0.000 0.000 0.212 507 A C 2.170 179.624 177.584 -0.217 0.000 1.162 507 A CA 1.286 53.147 52.037 -0.293 0.000 0.753 507 A CB -0.315 18.534 19.000 -0.251 0.000 0.840 507 A HN 0.452 nan 8.150 nan 0.000 0.468 508 T N -4.778 109.544 114.554 -0.386 0.000 2.969 508 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 508 T C 0.956 175.488 174.700 -0.280 0.000 1.021 508 T CA -0.114 61.776 62.100 -0.351 0.000 1.003 508 T CB 0.187 68.680 68.868 -0.624 0.000 1.040 508 T HN 0.190 nan 8.240 nan 0.000 0.492 509 R N 1.109 121.439 120.500 -0.284 0.000 2.690 509 R HA 0.456 4.796 4.340 -0.000 0.000 0.419 509 R C -0.451 175.767 176.300 -0.136 0.000 1.090 509 R CA -0.270 55.709 56.100 -0.203 0.000 1.064 509 R CB 0.414 30.585 30.300 -0.215 0.000 1.391 509 R HN 0.168 nan 8.270 nan 0.000 0.586 510 R N 0.435 120.862 120.500 -0.121 0.000 2.548 510 R HA 0.302 4.642 4.340 -0.000 0.000 0.280 510 R C -0.647 175.590 176.300 -0.104 0.000 1.061 510 R CA -0.528 55.536 56.100 -0.060 0.000 0.915 510 R CB 2.151 32.429 30.300 -0.036 0.000 1.210 510 R HN 0.019 nan 8.270 nan 0.000 0.442 511 S N 1.200 116.816 115.700 -0.140 0.000 2.558 511 S HA 0.181 4.651 4.470 -0.000 0.000 0.288 511 S C 0.467 174.691 174.600 -0.627 0.000 1.318 511 S CA -0.393 57.522 58.200 -0.475 0.000 1.056 511 S CB 0.809 63.543 63.200 -0.776 0.000 0.853 511 S HN 0.600 nan 8.310 nan 0.000 0.505 512 A N 3.343 125.848 122.820 -0.524 0.000 2.650 512 A HA 0.413 4.733 4.320 -0.000 0.000 0.320 512 A C -0.207 177.199 177.584 -0.297 0.000 1.466 512 A CA -0.832 51.045 52.037 -0.267 0.000 1.099 512 A CB -0.469 18.483 19.000 -0.079 0.000 1.136 512 A HN 0.823 nan 8.150 nan 0.000 0.532 513 W N 0.373 121.725 121.300 0.085 0.000 1.916 513 W HA 0.293 4.953 4.660 -0.000 0.000 0.403 513 W C 1.587 178.123 176.519 0.029 0.000 1.711 513 W CA -0.444 56.932 57.345 0.053 0.000 1.879 513 W CB 0.492 30.015 29.460 0.106 0.000 1.359 513 W HN 0.739 nan 8.180 nan 0.000 0.718 514 E N -0.400 119.998 120.200 0.330 0.000 2.006 514 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 514 E C 0.261 176.890 176.600 0.048 0.000 0.993 514 E CA 0.966 57.438 56.400 0.120 0.000 0.808 514 E CB -0.303 29.451 29.700 0.091 0.000 0.764 514 E HN 0.299 nan 8.360 nan 0.000 0.449 515 H N 0.498 119.637 119.070 0.114 0.000 2.683 515 H HA 0.302 4.858 4.556 -0.000 0.000 0.339 515 H C -0.130 175.268 175.328 0.117 0.000 1.081 515 H CA 0.234 56.335 56.048 0.088 0.000 1.432 515 H CB 0.838 30.640 29.762 0.066 0.000 1.462 515 H HN 0.083 nan 8.280 nan 0.000 0.557 516 R N 0.998 121.610 120.500 0.187 0.000 2.651 516 R HA 0.636 4.976 4.340 -0.000 0.000 0.278 516 R C -1.388 175.017 176.300 0.176 0.000 1.010 516 R CA -0.790 55.423 56.100 0.189 0.000 0.896 516 R CB 2.489 32.879 30.300 0.149 0.000 1.211 516 R HN 0.680 nan 8.270 nan 0.000 0.456 517 A N 1.881 124.802 122.820 0.169 0.000 2.475 517 A HA 0.755 5.075 4.320 -0.000 0.000 0.301 517 A C -1.279 176.351 177.584 0.076 0.000 1.059 517 A CA -0.647 51.459 52.037 0.115 0.000 0.710 517 A CB 1.929 20.971 19.000 0.071 0.000 1.288 517 A HN 0.338 nan 8.150 nan 0.000 0.408 518 V N 1.519 121.461 119.914 0.047 0.000 2.531 518 V HA 0.565 4.685 4.120 -0.000 0.000 0.301 518 V C -0.698 175.377 176.094 -0.031 0.000 1.034 518 V CA -0.565 61.706 62.300 -0.048 0.000 0.865 518 V CB 1.565 33.363 31.823 -0.042 0.000 0.995 518 V HN 0.696 nan 8.190 nan 0.000 0.424 519 V N 5.331 125.207 119.914 -0.064 0.000 2.487 519 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 519 V C -0.343 175.729 176.094 -0.037 0.000 1.028 519 V CA -0.548 61.734 62.300 -0.030 0.000 0.860 519 V CB 2.078 33.889 31.823 -0.020 0.000 0.991 519 V HN 0.646 nan 8.190 nan 0.000 0.427 520 V N 3.310 123.222 119.914 -0.004 0.000 2.555 520 V HA 1.054 5.174 4.120 -0.000 0.000 0.302 520 V C 0.477 176.587 176.094 0.026 0.000 1.038 520 V CA 0.045 62.355 62.300 0.017 0.000 0.887 520 V CB 1.307 33.165 31.823 0.058 0.000 0.991 520 V HN 1.199 nan 8.190 nan 0.000 0.434 521 G N 2.783 111.603 108.800 0.033 0.000 2.339 521 G HA2 0.387 4.347 3.960 -0.000 0.000 0.302 521 G HA3 0.387 4.347 3.960 -0.000 0.000 0.302 521 G C -1.381 173.538 174.900 0.033 0.000 1.425 521 G CA -0.369 44.750 45.100 0.031 0.000 0.899 521 G HN 0.827 nan 8.290 nan 0.000 0.619 522 D N -0.410 120.008 120.400 0.030 0.000 2.314 522 D HA 0.267 4.907 4.640 -0.000 0.000 0.252 522 D C 1.647 177.961 176.300 0.024 0.000 1.295 522 D CA -0.308 53.709 54.000 0.029 0.000 0.995 522 D CB 0.434 41.249 40.800 0.024 0.000 1.125 522 D HN 0.600 nan 8.370 nan 0.000 0.537 523 R N -0.224 120.289 120.500 0.022 0.000 2.081 523 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 523 R C 1.259 177.566 176.300 0.012 0.000 1.131 523 R CA 1.955 58.066 56.100 0.017 0.000 0.960 523 R CB -0.699 29.609 30.300 0.013 0.000 0.856 523 R HN 0.419 nan 8.270 nan 0.000 0.436 524 D N 0.192 120.598 120.400 0.010 0.000 2.117 524 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 524 D C 1.585 177.890 176.300 0.008 0.000 0.987 524 D CA 1.813 55.818 54.000 0.008 0.000 0.829 524 D CB -0.124 40.680 40.800 0.007 0.000 0.961 524 D HN 0.537 nan 8.370 nan 0.000 0.460 525 E N 0.243 120.449 120.200 0.011 0.000 2.190 525 E HA 0.132 4.482 4.350 -0.000 0.000 0.191 525 E C 2.103 178.709 176.600 0.011 0.000 0.978 525 E CA 0.530 56.936 56.400 0.010 0.000 0.839 525 E CB 0.015 29.723 29.700 0.013 0.000 0.787 525 E HN 0.176 nan 8.360 nan 0.000 0.473 526 A N 1.654 124.482 122.820 0.013 0.000 1.917 526 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 526 A C 2.178 179.767 177.584 0.009 0.000 1.182 526 A CA 1.127 53.171 52.037 0.011 0.000 0.633 526 A CB -0.713 18.296 19.000 0.015 0.000 0.819 526 A HN 0.161 nan 8.150 nan 0.000 0.448 527 L N -0.959 120.270 121.223 0.009 0.000 1.970 527 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 527 L C 3.150 180.024 176.870 0.006 0.000 1.071 527 L CA 1.398 56.243 54.840 0.008 0.000 0.751 527 L CB -0.557 41.506 42.059 0.006 0.000 0.889 527 L HN 0.464 nan 8.230 nan 0.000 0.432 528 A N -0.186 122.637 122.820 0.005 0.000 1.940 528 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 528 A C 2.304 179.890 177.584 0.004 0.000 1.176 528 A CA 1.758 53.797 52.037 0.004 0.000 0.631 528 A CB -1.198 17.804 19.000 0.004 0.000 0.814 528 A HN 0.521 nan 8.150 nan 0.000 0.446 529 G N -0.319 108.484 108.800 0.005 0.000 2.408 529 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 529 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 529 G C 1.528 176.430 174.900 0.003 0.000 1.150 529 G CA 0.985 46.088 45.100 0.005 0.000 0.776 529 G HN 0.444 nan 8.290 nan 0.000 0.542 530 L N -0.189 121.035 121.223 0.002 0.000 2.109 530 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 530 L C 3.126 179.996 176.870 -0.001 0.000 1.086 530 L CA 0.701 55.541 54.840 0.000 0.000 0.760 530 L CB -0.269 41.791 42.059 0.002 0.000 0.910 530 L HN 0.095 nan 8.230 nan 0.000 0.437 531 R N 0.066 120.566 120.500 0.000 0.000 2.115 531 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 531 R C 2.374 178.673 176.300 -0.002 0.000 1.111 531 R CA 1.239 57.339 56.100 -0.002 0.000 0.976 531 R CB -0.494 29.806 30.300 -0.000 0.000 0.870 531 R HN 0.355 nan 8.270 nan 0.000 0.445 532 A N 0.963 123.783 122.820 0.000 0.000 1.858 532 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 532 A C 2.422 180.007 177.584 0.002 0.000 1.190 532 A CA 1.405 53.443 52.037 0.002 0.000 0.617 532 A CB -0.655 18.348 19.000 0.004 0.000 0.827 532 A HN 0.090 nan 8.150 nan 0.000 0.443 533 V N 0.035 119.951 119.914 0.004 0.000 2.295 533 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 533 V C 3.082 179.175 176.094 -0.002 0.000 1.049 533 V CA 1.980 64.284 62.300 0.006 0.000 1.024 533 V CB -1.330 30.498 31.823 0.009 0.000 0.648 533 V HN 0.631 nan 8.190 nan 0.000 0.447 534 A N -0.041 122.774 122.820 -0.008 0.000 1.948 534 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 534 A C 1.708 179.282 177.584 -0.017 0.000 1.177 534 A CA 2.436 54.463 52.037 -0.017 0.000 0.636 534 A CB -0.597 18.393 19.000 -0.017 0.000 0.815 534 A HN 0.589 nan 8.150 nan 0.000 0.449 535 D N -1.462 118.932 120.400 -0.011 0.000 2.342 535 D HA 0.377 5.017 4.640 -0.000 0.000 0.221 535 D C 1.030 177.326 176.300 -0.008 0.000 1.101 535 D CA 0.899 54.892 54.000 -0.011 0.000 0.837 535 D CB -0.065 40.730 40.800 -0.008 0.000 0.938 535 D HN 0.537 nan 8.370 nan 0.000 0.508 536 G N 1.591 110.388 108.800 -0.005 0.000 2.323 536 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.292 536 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.292 536 G C 0.061 174.962 174.900 0.003 0.000 1.040 536 G CA 0.010 45.110 45.100 -0.000 0.000 0.942 536 G HN 0.293 nan 8.290 nan 0.000 0.506 537 R N -0.796 119.706 120.500 0.004 0.000 2.740 537 R HA 0.641 4.981 4.340 -0.000 0.000 0.282 537 R C 0.831 177.135 176.300 0.008 0.000 0.969 537 R CA -1.027 55.076 56.100 0.004 0.000 0.918 537 R CB 1.476 31.777 30.300 0.002 0.000 1.175 537 R HN 0.434 nan 8.270 nan 0.000 0.464 538 I N -0.341 120.235 120.570 0.009 0.000 2.428 538 I HA 0.660 4.830 4.170 -0.000 0.000 0.289 538 I C -0.008 176.114 176.117 0.008 0.000 1.019 538 I CA -0.373 60.934 61.300 0.011 0.000 1.351 538 I CB 1.521 39.528 38.000 0.012 0.000 1.412 538 I HN 0.552 nan 8.210 nan 0.000 0.513 539 A N 3.800 126.626 122.820 0.010 0.000 2.437 539 A HA 0.583 4.903 4.320 -0.000 0.000 0.292 539 A C -1.168 176.421 177.584 0.010 0.000 1.173 539 A CA -0.664 51.377 52.037 0.008 0.000 0.785 539 A CB 1.186 20.191 19.000 0.007 0.000 1.351 539 A HN 0.772 nan 8.150 nan 0.000 0.431 540 D N -0.557 119.847 120.400 0.008 0.000 2.313 540 D HA 0.523 5.163 4.640 -0.000 0.000 0.247 540 D C -0.203 176.105 176.300 0.013 0.000 1.094 540 D CA 0.449 54.454 54.000 0.008 0.000 0.925 540 D CB 0.380 41.182 40.800 0.003 0.000 1.188 540 D HN 0.492 nan 8.370 nan 0.000 0.430 541 R N 0.433 120.943 120.500 0.017 0.000 3.188 541 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 541 R C -0.931 175.384 176.300 0.025 0.000 0.918 541 R CA 0.736 56.851 56.100 0.025 0.000 0.629 541 R CB -1.927 28.390 30.300 0.028 0.000 1.087 541 R HN 0.269 nan 8.270 nan 0.000 0.462 542 T N -0.459 114.112 114.554 0.027 0.000 3.262 542 T HA 0.573 4.923 4.350 -0.000 0.000 0.336 542 T C -0.274 174.451 174.700 0.040 0.000 0.911 542 T CA 0.018 62.135 62.100 0.028 0.000 1.154 542 T CB 1.071 69.951 68.868 0.021 0.000 1.007 542 T HN 0.458 nan 8.240 nan 0.000 0.488 543 A N 2.144 124.998 122.820 0.056 0.000 2.257 543 A HA 0.930 5.250 4.320 -0.000 0.000 0.289 543 A C 0.260 177.893 177.584 0.082 0.000 1.095 543 A CA -0.404 51.678 52.037 0.074 0.000 0.836 543 A CB 0.840 19.902 19.000 0.104 0.000 1.111 543 A HN 0.584 nan 8.150 nan 0.000 0.497 544 T N -1.021 113.584 114.554 0.086 0.000 3.393 544 T HA 0.594 4.944 4.350 -0.000 0.000 0.359 544 T C -0.258 174.489 174.700 0.078 0.000 1.380 544 T CA 0.205 62.358 62.100 0.087 0.000 1.132 544 T CB 1.401 70.312 68.868 0.072 0.000 1.284 544 T HN 1.788 nan 8.240 nan 0.000 0.477 545 G N 1.657 110.503 108.800 0.077 0.000 2.619 545 G HA2 0.661 4.621 3.960 -0.000 0.000 0.305 545 G HA3 0.661 4.621 3.960 -0.000 0.000 0.305 545 G C -2.153 172.726 174.900 -0.035 0.000 1.330 545 G CA -0.663 44.455 45.100 0.030 0.000 0.789 545 G HN 0.606 nan 8.290 nan 0.000 0.487 546 Q N -0.302 119.432 119.800 -0.109 0.000 2.310 546 Q HA 0.611 4.951 4.340 -0.000 0.000 0.270 546 Q C -0.253 175.653 176.000 -0.157 0.000 1.025 546 Q CA -0.775 54.881 55.803 -0.246 0.000 0.772 546 Q CB 2.457 30.996 28.738 -0.332 0.000 1.253 546 Q HN 0.848 nan 8.270 nan 0.000 0.450 547 A N 3.138 125.867 122.820 -0.151 0.000 2.371 547 A HA 0.631 4.951 4.320 -0.000 0.000 0.257 547 A C -0.288 177.236 177.584 -0.099 0.000 1.089 547 A CA -0.032 51.929 52.037 -0.127 0.000 0.794 547 A CB 0.502 19.413 19.000 -0.148 0.000 1.029 547 A HN 0.756 nan 8.150 nan 0.000 0.488 548 R N -0.151 120.299 120.500 -0.083 0.000 2.740 548 R HA 0.455 4.795 4.340 -0.000 0.000 0.273 548 R C -1.107 175.157 176.300 -0.061 0.000 0.998 548 R CA -0.672 55.391 56.100 -0.063 0.000 0.900 548 R CB 1.915 32.184 30.300 -0.052 0.000 1.223 548 R HN 0.621 nan 8.270 nan 0.000 0.466 549 T N 3.389 117.912 114.554 -0.052 0.000 2.848 549 T HA 0.140 4.490 4.350 -0.000 0.000 0.283 549 T C -0.044 174.623 174.700 -0.056 0.000 0.919 549 T CA -0.064 62.006 62.100 -0.051 0.000 1.071 549 T CB -0.256 68.586 68.868 -0.044 0.000 0.912 549 T HN 0.119 nan 8.240 nan 0.000 0.570 550 R N 3.509 123.975 120.500 -0.057 0.000 2.254 550 R HA 0.568 4.908 4.340 -0.000 0.000 0.318 550 R C -0.017 176.243 176.300 -0.066 0.000 1.031 550 R CA -0.631 55.430 56.100 -0.065 0.000 0.905 550 R CB 1.354 31.617 30.300 -0.061 0.000 1.050 550 R HN 0.420 nan 8.270 nan 0.000 0.456 551 R N 0.670 121.117 120.500 -0.088 0.000 2.539 551 R HA 0.337 4.677 4.340 -0.000 0.000 0.295 551 R C -0.853 175.358 176.300 -0.148 0.000 1.138 551 R CA -0.196 55.849 56.100 -0.092 0.000 0.936 551 R CB 2.070 32.319 30.300 -0.086 0.000 1.182 551 R HN 0.983 nan 8.270 nan 0.000 0.459 552 G N 1.789 110.536 108.800 -0.089 0.000 2.445 552 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.233 552 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.233 552 G C -0.887 174.093 174.900 0.132 0.000 1.308 552 G CA -0.871 44.218 45.100 -0.019 0.000 1.179 552 G HN 0.359 nan 8.290 nan 0.000 0.637 553 V N 0.520 120.475 119.914 0.069 0.000 2.432 553 V HA 0.778 4.898 4.120 -0.000 0.000 0.271 553 V C 0.942 176.950 176.094 -0.143 0.000 1.046 553 V CA 0.355 62.610 62.300 -0.075 0.000 0.945 553 V CB 0.823 32.596 31.823 -0.083 0.000 0.992 553 V HN 1.344 nan 8.190 nan 0.000 0.471 557 F N 5.167 125.212 119.950 0.158 0.000 2.500 557 F HA 0.642 5.169 4.527 -0.000 0.000 0.349 557 F C -2.136 173.748 175.800 0.140 0.000 1.127 557 F CA -1.818 56.268 58.000 0.144 0.000 0.998 557 F CB 2.264 41.363 39.000 0.165 0.000 1.237 557 F HN 0.276 nan 8.300 nan 0.000 0.439 558 P HA 0.432 nan 4.420 nan 0.000 0.282 558 P C -0.096 177.284 177.300 0.133 0.000 1.287 558 P CA -0.090 63.054 63.100 0.073 0.000 0.792 558 P CB 1.849 33.521 31.700 -0.047 0.000 1.163 559 G N -0.929 107.897 108.800 0.044 0.000 3.110 559 G HA2 0.132 4.092 3.960 -0.000 0.000 0.207 559 G HA3 0.132 4.092 3.960 -0.000 0.000 0.207 559 G C -0.137 174.810 174.900 0.079 0.000 1.841 559 G CA -0.116 45.054 45.100 0.118 0.000 0.751 559 G HN 0.421 nan 8.290 nan 0.000 0.771 560 Q N 0.499 120.341 119.800 0.069 0.000 2.386 560 Q HA 0.347 4.687 4.340 -0.000 0.000 0.282 560 Q C 1.036 177.052 176.000 0.027 0.000 1.050 560 Q CA 1.145 56.983 55.803 0.059 0.000 0.918 560 Q CB 0.543 29.308 28.738 0.046 0.000 1.266 560 Q HN 1.326 nan 8.270 nan 0.000 0.423 561 G N 1.068 109.900 108.800 0.054 0.000 2.176 561 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 561 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 561 G C 0.530 175.512 174.900 0.135 0.000 1.024 561 G CA 0.491 45.633 45.100 0.071 0.000 0.755 561 G HN 0.740 nan 8.290 nan 0.000 0.507 562 A N -1.405 121.502 122.820 0.146 0.000 2.343 562 A HA 0.596 4.916 4.320 -0.000 0.000 0.223 562 A C 1.017 178.754 177.584 0.255 0.000 1.214 562 A CA 1.068 53.236 52.037 0.218 0.000 0.900 562 A CB 0.281 19.379 19.000 0.164 0.000 0.942 562 A HN 0.606 nan 8.150 nan 0.000 0.507 563 Q N 0.310 120.218 119.800 0.179 0.000 2.226 563 Q HA 0.614 4.954 4.340 -0.000 0.000 0.256 563 Q C -0.446 175.677 176.000 0.205 0.000 0.962 563 Q CA -0.486 55.380 55.803 0.106 0.000 0.887 563 Q CB 1.351 30.113 28.738 0.040 0.000 1.282 563 Q HN 0.613 nan 8.270 nan 0.000 0.449 564 W N 0.393 121.681 121.300 -0.021 0.000 3.040 564 W HA 0.425 5.085 4.660 -0.000 0.000 0.344 564 W C 0.330 176.833 176.519 -0.025 0.000 1.201 564 W CA -0.950 56.365 57.345 -0.050 0.000 1.119 564 W CB 0.964 30.368 29.460 -0.092 0.000 1.478 564 W HN 0.729 nan 8.180 nan 0.000 0.586 565 Q N 1.075 120.981 119.800 0.176 0.000 2.016 565 Q HA 0.096 4.436 4.340 -0.000 0.000 0.200 565 Q C 1.504 177.465 176.000 -0.064 0.000 0.978 565 Q CA 2.057 57.880 55.803 0.034 0.000 0.833 565 Q CB -0.647 28.135 28.738 0.073 0.000 0.895 565 Q HN 0.646 nan 8.270 nan 0.000 0.427 569 R N 0.845 121.311 120.500 -0.056 0.000 2.070 569 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 569 R C 1.242 177.553 176.300 0.018 0.000 1.138 569 R CA 2.629 58.727 56.100 -0.003 0.000 0.936 569 R CB -0.188 30.113 30.300 0.002 0.000 0.839 569 R HN 0.386 nan 8.270 nan 0.000 0.429 570 D N 0.417 120.828 120.400 0.018 0.000 2.097 570 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 570 D C 1.692 177.980 176.300 -0.021 0.000 0.984 570 D CA 0.840 54.847 54.000 0.012 0.000 0.826 570 D CB -0.249 40.568 40.800 0.028 0.000 0.973 570 D HN 0.156 nan 8.370 nan 0.000 0.460 571 L N 0.603 121.780 121.223 -0.077 0.000 2.265 571 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 571 L C 1.683 178.537 176.870 -0.027 0.000 1.117 571 L CA 1.099 55.821 54.840 -0.197 0.000 0.782 571 L CB -0.375 41.375 42.059 -0.515 0.000 0.914 571 L HN 0.111 nan 8.230 nan 0.000 0.441 572 L N -0.969 120.324 121.223 0.116 0.000 2.291 572 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 572 L C 2.463 179.397 176.870 0.106 0.000 1.120 572 L CA 1.322 56.291 54.840 0.214 0.000 0.799 572 L CB -0.411 41.738 42.059 0.150 0.000 0.925 572 L HN 0.394 nan 8.230 nan 0.000 0.446 573 R N -0.416 120.115 120.500 0.052 0.000 2.105 573 R HA -0.043 4.297 4.340 -0.000 0.000 0.214 573 R C 1.535 177.844 176.300 0.016 0.000 1.091 573 R CA 0.710 56.827 56.100 0.029 0.000 1.007 573 R CB 0.216 30.527 30.300 0.019 0.000 0.912 573 R HN 0.380 nan 8.270 nan 0.000 0.450 574 E N -0.210 119.987 120.200 -0.005 0.000 2.489 574 E HA 0.035 4.385 4.350 -0.000 0.000 0.193 574 E C -0.219 176.361 176.600 -0.034 0.000 1.057 574 E CA -0.018 56.370 56.400 -0.021 0.000 0.866 574 E CB 0.804 30.480 29.700 -0.040 0.000 0.916 574 E HN -0.074 nan 8.360 nan 0.000 0.500 575 S N -0.054 115.636 115.700 -0.017 0.000 2.619 575 S HA 0.181 4.651 4.470 -0.000 0.000 0.280 575 S C 0.064 174.692 174.600 0.048 0.000 1.150 575 S CA -0.641 57.551 58.200 -0.012 0.000 0.978 575 S CB 1.776 64.926 63.200 -0.084 0.000 1.041 575 S HN -0.058 nan 8.310 nan 0.000 0.485 576 Q N 3.456 123.269 119.800 0.022 0.000 1.984 576 Q HA 0.083 4.423 4.340 -0.000 0.000 0.196 576 Q C 1.936 177.947 176.000 0.019 0.000 0.975 576 Q CA 2.257 58.071 55.803 0.018 0.000 0.827 576 Q CB -0.848 27.891 28.738 0.002 0.000 0.894 576 Q HN 0.693 nan 8.270 nan 0.000 0.438 577 V N 1.090 121.009 119.914 0.008 0.000 2.257 577 V HA -0.337 3.783 4.120 -0.000 0.000 0.257 577 V C 2.085 178.195 176.094 0.027 0.000 1.077 577 V CA 2.398 64.701 62.300 0.005 0.000 1.063 577 V CB -0.854 30.963 31.823 -0.011 0.000 0.664 577 V HN 0.406 nan 8.190 nan 0.000 0.450 578 F N 0.986 120.870 119.950 -0.110 0.000 2.014 578 F HA -0.092 4.435 4.527 -0.000 0.000 0.295 578 F C 2.364 178.121 175.800 -0.071 0.000 1.145 578 F CA 1.656 59.591 58.000 -0.109 0.000 1.178 578 F CB -0.944 37.963 39.000 -0.156 0.000 0.972 578 F HN 0.065 nan 8.300 nan 0.000 0.476 579 A N 0.073 122.901 122.820 0.013 0.000 1.958 579 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 579 A C 1.958 179.467 177.584 -0.124 0.000 1.178 579 A CA 2.333 54.325 52.037 -0.076 0.000 0.642 579 A CB -1.171 17.839 19.000 0.016 0.000 0.816 579 A HN 0.548 nan 8.150 nan 0.000 0.453 580 D N -0.848 119.500 120.400 -0.088 0.000 2.117 580 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 580 D C 2.272 178.504 176.300 -0.114 0.000 0.982 580 D CA 1.429 55.382 54.000 -0.079 0.000 0.828 580 D CB -0.513 40.260 40.800 -0.045 0.000 0.967 580 D HN 0.412 nan 8.370 nan 0.000 0.464 581 S N 0.170 115.775 115.700 -0.160 0.000 2.351 581 S HA -0.138 4.332 4.470 -0.000 0.000 0.220 581 S C 1.987 176.447 174.600 -0.234 0.000 1.035 581 S CA 0.783 58.872 58.200 -0.186 0.000 1.031 581 S CB -0.198 62.868 63.200 -0.224 0.000 0.928 581 S HN 0.086 nan 8.310 nan 0.000 0.433 582 I N 1.440 121.791 120.570 -0.365 0.000 2.335 582 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 582 I C 2.578 178.599 176.117 -0.161 0.000 1.129 582 I CA 1.349 62.468 61.300 -0.302 0.000 1.402 582 I CB -1.255 36.519 38.000 -0.376 0.000 1.069 582 I HN 0.339 nan 8.210 nan 0.000 0.424 583 R N 1.129 121.549 120.500 -0.133 0.000 2.092 583 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 583 R C 1.735 177.993 176.300 -0.070 0.000 1.119 583 R CA 1.463 57.514 56.100 -0.082 0.000 0.970 583 R CB -0.032 30.229 30.300 -0.065 0.000 0.864 583 R HN 0.250 nan 8.270 nan 0.000 0.440 584 D N -0.755 119.601 120.400 -0.074 0.000 2.194 584 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 584 D C 1.765 178.033 176.300 -0.053 0.000 0.964 584 D CA 0.882 54.849 54.000 -0.054 0.000 0.846 584 D CB -0.370 40.405 40.800 -0.042 0.000 0.962 584 D HN 0.241 nan 8.370 nan 0.000 0.490 585 C N 0.720 119.980 119.300 -0.066 0.000 2.413 585 C HA -0.137 4.323 4.460 -0.000 0.000 0.278 585 C C 2.594 177.554 174.990 -0.050 0.000 1.224 585 C CA 0.778 59.770 59.018 -0.043 0.000 1.732 585 C CB -0.840 26.873 27.740 -0.045 0.000 2.050 585 C HN 0.441 nan 8.230 nan 0.000 0.463 586 E N 0.400 120.563 120.200 -0.062 0.000 2.187 586 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 586 E C 2.372 178.922 176.600 -0.083 0.000 1.004 586 E CA 1.260 57.614 56.400 -0.077 0.000 0.813 586 E CB -0.173 29.493 29.700 -0.056 0.000 0.736 586 E HN 0.504 nan 8.360 nan 0.000 0.468 587 R N -0.310 120.152 120.500 -0.064 0.000 2.061 587 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 587 R C 2.337 178.602 176.300 -0.058 0.000 1.140 587 R CA 1.352 57.417 56.100 -0.059 0.000 0.940 587 R CB -0.378 29.895 30.300 -0.045 0.000 0.839 587 R HN 0.229 nan 8.270 nan 0.000 0.429 588 A N 0.816 123.610 122.820 -0.043 0.000 1.940 588 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 588 A C 2.162 179.747 177.584 0.001 0.000 1.176 588 A CA 1.294 53.318 52.037 -0.022 0.000 0.631 588 A CB -0.462 18.521 19.000 -0.028 0.000 0.814 588 A HN 0.335 nan 8.150 nan 0.000 0.446 589 L N -1.236 119.952 121.223 -0.059 0.000 2.179 589 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 589 L C 3.020 179.798 176.870 -0.154 0.000 1.096 589 L CA 0.586 55.362 54.840 -0.106 0.000 0.779 589 L CB -0.601 41.323 42.059 -0.226 0.000 0.922 589 L HN 0.413 nan 8.230 nan 0.000 0.443 590 A N 1.433 124.153 122.820 -0.166 0.000 1.894 590 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 590 A C 0.118 177.577 177.584 -0.209 0.000 1.237 590 A CA 2.608 54.534 52.037 -0.185 0.000 0.660 590 A CB -2.170 16.749 19.000 -0.135 0.000 0.835 590 A HN 0.324 nan 8.150 nan 0.000 0.461 591 P HA -0.156 nan 4.420 nan 0.000 0.215 591 P C 0.599 177.646 177.300 -0.421 0.000 1.153 591 P CA 1.927 64.801 63.100 -0.376 0.000 0.853 591 P CB -0.429 30.938 31.700 -0.555 0.000 0.788 592 H N -2.047 116.921 119.070 -0.171 0.000 2.548 592 H HA 0.286 4.842 4.556 -0.000 0.000 0.265 592 H C 0.433 175.640 175.328 -0.202 0.000 0.969 592 H CA -0.158 55.789 56.048 -0.168 0.000 1.155 592 H CB 0.240 29.897 29.762 -0.175 0.000 1.394 592 H HN -0.054 nan 8.280 nan 0.000 0.570 593 V N 1.511 121.305 119.914 -0.200 0.000 2.925 593 V HA 0.130 4.250 4.120 -0.000 0.000 0.311 593 V C -1.125 174.749 176.094 -0.367 0.000 1.104 593 V CA -0.958 61.125 62.300 -0.361 0.000 0.954 593 V CB 2.262 33.642 31.823 -0.739 0.000 1.022 593 V HN 0.379 nan 8.190 nan 0.000 0.427 594 D N 3.303 123.554 120.400 -0.249 0.000 2.930 594 D HA 0.292 4.932 4.640 -0.000 0.000 0.304 594 D C -0.567 175.756 176.300 0.039 0.000 1.298 594 D CA -0.310 53.624 54.000 -0.110 0.000 0.949 594 D CB 0.141 40.926 40.800 -0.024 0.000 1.013 594 D HN 0.493 nan 8.370 nan 0.000 0.510 595 W N -1.046 120.244 121.300 -0.015 0.000 3.137 595 W HA 0.552 5.212 4.660 -0.000 0.000 0.324 595 W C -1.071 175.439 176.519 -0.015 0.000 1.253 595 W CA -1.296 56.040 57.345 -0.014 0.000 1.183 595 W CB 0.855 30.308 29.460 -0.012 0.000 1.424 595 W HN -0.041 nan 8.180 nan 0.000 0.566 596 S N 1.844 117.729 115.700 0.308 0.000 2.489 596 S HA 0.199 4.669 4.470 -0.000 0.000 0.277 596 S C 0.724 175.515 174.600 0.317 0.000 1.230 596 S CA -0.615 57.697 58.200 0.187 0.000 1.053 596 S CB 0.905 64.170 63.200 0.107 0.000 0.955 596 S HN 0.582 nan 8.310 nan 0.000 0.488 597 L N 4.555 125.908 121.223 0.216 0.000 2.056 597 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 597 L C 2.196 179.155 176.870 0.148 0.000 1.078 597 L CA 1.814 56.813 54.840 0.266 0.000 0.749 597 L CB -0.776 41.355 42.059 0.119 0.000 0.901 597 L HN 0.810 nan 8.230 nan 0.000 0.433 598 T N -1.534 113.068 114.554 0.080 0.000 2.777 598 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 598 T C 1.365 176.094 174.700 0.048 0.000 1.040 598 T CA 1.238 63.364 62.100 0.044 0.000 1.141 598 T CB -0.352 68.529 68.868 0.020 0.000 0.868 598 T HN 0.296 nan 8.240 nan 0.000 0.444 599 D N 1.212 121.651 120.400 0.064 0.000 2.104 599 D HA -0.053 4.587 4.640 -0.000 0.000 0.194 599 D C 2.070 178.391 176.300 0.035 0.000 0.994 599 D CA 0.470 54.500 54.000 0.050 0.000 0.830 599 D CB -0.558 40.281 40.800 0.064 0.000 0.959 599 D HN 0.156 nan 8.370 nan 0.000 0.452 600 L N 0.376 121.631 121.223 0.053 0.000 1.990 600 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 600 L C 2.204 179.060 176.870 -0.024 0.000 1.072 600 L CA 1.494 56.329 54.840 -0.009 0.000 0.755 600 L CB -0.400 41.655 42.059 -0.007 0.000 0.889 600 L HN 0.125 nan 8.230 nan 0.000 0.432 601 L N -1.248 119.976 121.223 0.002 0.000 2.095 601 L HA -0.130 4.210 4.340 -0.000 0.000 0.204 601 L C 2.580 179.441 176.870 -0.015 0.000 1.080 601 L CA 1.019 55.848 54.840 -0.019 0.000 0.759 601 L CB -0.497 41.566 42.059 0.007 0.000 0.914 601 L HN 0.211 nan 8.230 nan 0.000 0.439 602 S N 0.361 116.064 115.700 0.005 0.000 2.371 602 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 602 S C 1.938 176.541 174.600 0.004 0.000 1.029 602 S CA 1.172 59.377 58.200 0.009 0.000 0.978 602 S CB -0.457 62.752 63.200 0.016 0.000 0.833 602 S HN 0.567 nan 8.310 nan 0.000 0.466 603 G N 0.557 109.357 108.800 -0.000 0.000 2.679 603 G HA2 0.298 4.258 3.960 -0.000 0.000 0.212 603 G HA3 0.298 4.258 3.960 -0.000 0.000 0.212 603 G C 0.643 175.538 174.900 -0.009 0.000 1.137 603 G CA 0.338 45.436 45.100 -0.003 0.000 0.787 603 G HN 0.864 nan 8.290 nan 0.000 0.534 604 A N -0.221 122.588 122.820 -0.018 0.000 2.739 604 A HA -0.170 4.150 4.320 -0.000 0.000 0.296 604 A C 0.911 178.478 177.584 -0.028 0.000 1.488 604 A CA 0.683 52.707 52.037 -0.022 0.000 0.746 604 A CB -1.498 17.505 19.000 0.005 0.000 1.047 604 A HN 0.380 nan 8.150 nan 0.000 0.477 605 R N -0.803 119.668 120.500 -0.048 0.000 2.615 605 R HA 0.444 4.784 4.340 -0.000 0.000 0.270 605 R C -2.491 173.768 176.300 -0.068 0.000 1.081 605 R CA -1.871 54.194 56.100 -0.058 0.000 1.154 605 R CB -0.417 29.834 30.300 -0.082 0.000 1.063 605 R HN 0.286 nan 8.270 nan 0.000 0.519 606 P HA -0.023 nan 4.420 nan 0.000 0.266 606 P C -0.120 177.121 177.300 -0.099 0.000 1.193 606 P CA 0.028 63.091 63.100 -0.063 0.000 0.770 606 P CB 0.413 32.081 31.700 -0.054 0.000 0.836 607 L N 2.672 123.847 121.223 -0.081 0.000 3.255 607 L HA 0.143 4.483 4.340 -0.000 0.000 0.293 607 L C 0.986 177.817 176.870 -0.066 0.000 1.302 607 L CA 0.503 55.283 54.840 -0.100 0.000 0.977 607 L CB -0.449 41.563 42.059 -0.078 0.000 1.390 607 L HN 0.324 nan 8.230 nan 0.000 0.588 608 D N -1.041 119.324 120.400 -0.059 0.000 2.323 608 D HA -0.059 4.581 4.640 -0.000 0.000 0.209 608 D C 0.670 176.963 176.300 -0.011 0.000 0.973 608 D CA 0.044 54.030 54.000 -0.023 0.000 0.874 608 D CB 0.327 41.116 40.800 -0.017 0.000 0.930 608 D HN 0.216 nan 8.370 nan 0.000 0.521 609 R N 0.827 121.297 120.500 -0.050 0.000 2.357 609 R HA 0.258 4.598 4.340 -0.000 0.000 0.296 609 R C 1.474 177.770 176.300 -0.007 0.000 1.052 609 R CA -0.468 55.611 56.100 -0.035 0.000 0.988 609 R CB 2.092 32.341 30.300 -0.085 0.000 1.025 609 R HN -0.147 nan 8.270 nan 0.000 0.469 610 V N 1.556 121.485 119.914 0.025 0.000 2.332 610 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 610 V C 1.515 177.621 176.094 0.019 0.000 1.055 610 V CA 2.090 64.401 62.300 0.019 0.000 1.038 610 V CB -0.547 31.211 31.823 -0.107 0.000 0.651 610 V HN 0.829 nan 8.190 nan 0.000 0.450 611 D N -0.159 120.262 120.400 0.034 0.000 2.349 611 D HA -0.026 4.614 4.640 -0.000 0.000 0.224 611 D C 1.649 178.119 176.300 0.284 0.000 1.029 611 D CA 0.547 54.618 54.000 0.118 0.000 0.879 611 D CB 0.035 40.906 40.800 0.118 0.000 0.906 611 D HN 0.385 nan 8.370 nan 0.000 0.528 612 V N 0.032 120.004 119.914 0.096 0.000 2.490 612 V HA -0.095 4.025 4.120 -0.000 0.000 0.238 612 V C 2.622 178.715 176.094 -0.003 0.000 1.056 612 V CA 0.465 62.678 62.300 -0.146 0.000 1.075 612 V CB -0.133 31.359 31.823 -0.551 0.000 0.746 612 V HN 0.057 nan 8.190 nan 0.000 0.479 613 V N 0.237 120.142 119.914 -0.014 0.000 2.233 613 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 613 V C 2.542 178.706 176.094 0.116 0.000 1.050 613 V CA 2.313 64.635 62.300 0.037 0.000 1.010 613 V CB -0.800 31.051 31.823 0.048 0.000 0.637 613 V HN 0.578 nan 8.190 nan 0.000 0.444 614 Q N -0.574 119.298 119.800 0.119 0.000 2.061 614 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 614 Q C 0.207 176.296 176.000 0.149 0.000 0.984 614 Q CA 2.096 57.974 55.803 0.124 0.000 0.846 614 Q CB -1.478 27.306 28.738 0.077 0.000 0.902 614 Q HN 0.551 nan 8.270 nan 0.000 0.421 615 P HA -0.194 nan 4.420 nan 0.000 0.213 615 P C 1.129 178.614 177.300 0.310 0.000 1.170 615 P CA 2.069 65.279 63.100 0.184 0.000 0.898 615 P CB -0.244 31.581 31.700 0.209 0.000 0.787 616 A N -0.317 122.721 122.820 0.364 0.000 1.884 616 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 616 A C 2.334 180.033 177.584 0.192 0.000 1.197 616 A CA 1.860 54.063 52.037 0.276 0.000 0.637 616 A CB -1.826 17.284 19.000 0.185 0.000 0.827 616 A HN 0.153 nan 8.150 nan 0.000 0.450 617 L N -1.719 119.608 121.223 0.174 0.000 2.081 617 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 617 L C 2.462 179.455 176.870 0.206 0.000 1.080 617 L CA 2.177 57.114 54.840 0.162 0.000 0.754 617 L CB -0.354 41.802 42.059 0.162 0.000 0.893 617 L HN 0.596 nan 8.230 nan 0.000 0.433 618 F N 0.429 120.429 119.950 0.083 0.000 2.075 618 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 618 F C 2.362 178.193 175.800 0.051 0.000 1.113 618 F CA 1.694 59.730 58.000 0.059 0.000 1.218 618 F CB -0.506 38.495 39.000 0.001 0.000 0.984 618 F HN 0.057 nan 8.300 nan 0.000 0.472 619 A N 0.698 123.540 122.820 0.038 0.000 1.877 619 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 619 A C 1.498 179.002 177.584 -0.134 0.000 1.186 619 A CA 1.330 53.280 52.037 -0.146 0.000 0.620 619 A CB -1.393 17.625 19.000 0.031 0.000 0.822 619 A HN 0.202 nan 8.150 nan 0.000 0.443 623 S N 0.734 116.432 115.700 -0.003 0.000 2.362 623 S HA 0.061 4.531 4.470 -0.000 0.000 0.221 623 S C 1.801 176.570 174.600 0.281 0.000 1.032 623 S CA 1.492 59.699 58.200 0.011 0.000 0.973 623 S CB -0.092 62.880 63.200 -0.380 0.000 0.849 623 S HN 0.462 nan 8.310 nan 0.000 0.465 624 L N 1.530 122.997 121.223 0.406 0.000 2.079 624 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 624 L C 2.828 179.972 176.870 0.456 0.000 1.081 624 L CA 1.204 56.267 54.840 0.373 0.000 0.752 624 L CB -0.822 41.464 42.059 0.377 0.000 0.896 624 L HN 0.330 nan 8.230 nan 0.000 0.433 625 A N 0.272 123.356 122.820 0.441 0.000 1.865 625 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 625 A C 2.574 180.372 177.584 0.357 0.000 1.191 625 A CA 2.053 54.357 52.037 0.445 0.000 0.623 625 A CB -0.918 18.340 19.000 0.431 0.000 0.826 625 A HN 0.411 nan 8.150 nan 0.000 0.444 626 A N -0.619 122.341 122.820 0.234 0.000 1.948 626 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 626 A C 2.235 179.914 177.584 0.158 0.000 1.177 626 A CA 1.655 53.785 52.037 0.157 0.000 0.636 626 A CB -0.617 18.436 19.000 0.088 0.000 0.815 626 A HN 0.538 nan 8.150 nan 0.000 0.449 627 L N -2.189 119.120 121.223 0.144 0.000 1.994 627 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 627 L C 2.566 179.556 176.870 0.201 0.000 1.071 627 L CA 1.813 56.650 54.840 -0.004 0.000 0.745 627 L CB -0.418 41.408 42.059 -0.388 0.000 0.892 627 L HN 0.681 nan 8.230 nan 0.000 0.431 628 W N 0.409 121.895 121.300 0.308 0.000 2.318 628 W HA -0.247 4.413 4.660 -0.000 0.000 0.313 628 W C 2.777 179.429 176.519 0.222 0.000 1.221 628 W CA 1.369 58.923 57.345 0.349 0.000 1.266 628 W CB -0.277 29.320 29.460 0.228 0.000 1.150 628 W HN 0.073 nan 8.180 nan 0.000 0.496 629 R N 0.060 120.800 120.500 0.399 0.000 2.152 629 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 629 R C 2.344 178.736 176.300 0.153 0.000 1.117 629 R CA 1.569 57.810 56.100 0.234 0.000 0.981 629 R CB -0.858 29.542 30.300 0.166 0.000 0.870 629 R HN 0.205 nan 8.270 nan 0.000 0.451 630 S N 0.231 116.003 115.700 0.120 0.000 2.447 630 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 630 S C 1.027 175.541 174.600 -0.144 0.000 1.006 630 S CA 0.736 58.920 58.200 -0.025 0.000 0.957 630 S CB -0.099 63.049 63.200 -0.088 0.000 0.773 630 S HN 0.387 nan 8.310 nan 0.000 0.507 631 H N 0.810 119.925 119.070 0.075 0.000 2.539 631 H HA 0.348 4.904 4.556 -0.000 0.000 0.293 631 H C 1.550 176.896 175.328 0.031 0.000 1.156 631 H CA 0.088 56.143 56.048 0.012 0.000 1.012 631 H CB -0.181 29.537 29.762 -0.073 0.000 1.600 631 H HN 0.587 nan 8.280 nan 0.000 0.538 632 G N 1.146 110.019 108.800 0.122 0.000 2.200 632 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 632 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 632 G C 0.434 175.411 174.900 0.128 0.000 0.993 632 G CA 0.529 45.692 45.100 0.104 0.000 0.701 632 G HN 0.303 nan 8.290 nan 0.000 0.524 633 V N 1.773 121.806 119.914 0.199 0.000 2.322 633 V HA 0.333 4.453 4.120 -0.000 0.000 0.258 633 V C 0.212 176.397 176.094 0.152 0.000 1.074 633 V CA -0.546 61.869 62.300 0.192 0.000 0.909 633 V CB 1.054 33.080 31.823 0.339 0.000 1.090 633 V HN 0.305 nan 8.190 nan 0.000 0.486 634 E N 6.541 126.796 120.200 0.092 0.000 2.242 634 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 634 E C -2.399 174.225 176.600 0.040 0.000 1.002 634 E CA -2.076 54.368 56.400 0.073 0.000 0.841 634 E CB 1.600 31.337 29.700 0.062 0.000 1.109 634 E HN 0.375 nan 8.360 nan 0.000 0.394 635 P HA 0.222 nan 4.420 nan 0.000 0.284 635 P C -0.332 176.999 177.300 0.051 0.000 1.253 635 P CA -0.241 62.868 63.100 0.014 0.000 0.800 635 P CB 1.409 33.125 31.700 0.027 0.000 0.961 636 A N 2.400 125.269 122.820 0.081 0.000 2.030 636 A HA 0.493 4.813 4.320 -0.000 0.000 0.215 636 A C 1.011 178.681 177.584 0.142 0.000 1.164 636 A CA 1.092 53.233 52.037 0.174 0.000 0.697 636 A CB -0.314 18.892 19.000 0.343 0.000 0.827 636 A HN 0.717 nan 8.150 nan 0.000 0.457 637 A N -0.834 121.945 122.820 -0.068 0.000 2.556 637 A HA 0.653 4.973 4.320 -0.000 0.000 0.294 637 A C -0.724 176.789 177.584 -0.119 0.000 1.091 637 A CA 0.040 51.971 52.037 -0.175 0.000 0.704 637 A CB 1.256 19.827 19.000 -0.714 0.000 1.300 637 A HN 1.278 nan 8.150 nan 0.000 0.406 638 V N -1.214 118.715 119.914 0.025 0.000 2.876 638 V HA 0.925 5.045 4.120 -0.000 0.000 0.312 638 V C -0.830 175.379 176.094 0.191 0.000 1.085 638 V CA -0.758 61.637 62.300 0.159 0.000 0.945 638 V CB 1.264 33.255 31.823 0.280 0.000 1.017 638 V HN 0.939 nan 8.190 nan 0.000 0.428 639 V N 2.180 122.255 119.914 0.269 0.000 2.735 639 V HA 0.948 5.068 4.120 -0.000 0.000 0.310 639 V C 0.666 177.025 176.094 0.442 0.000 1.061 639 V CA 0.172 62.654 62.300 0.302 0.000 0.913 639 V CB 1.759 33.729 31.823 0.246 0.000 1.005 639 V HN 1.365 nan 8.190 nan 0.000 0.428 640 G N 0.498 109.541 108.800 0.404 0.000 2.473 640 G HA2 0.578 4.538 3.960 -0.000 0.000 0.321 640 G HA3 0.578 4.538 3.960 -0.000 0.000 0.321 640 G C -1.487 173.653 174.900 0.399 0.000 1.200 640 G CA -0.404 44.949 45.100 0.422 0.000 0.963 640 G HN 0.690 nan 8.290 nan 0.000 0.483 641 H N 0.968 120.189 119.070 0.252 0.000 2.466 641 H HA 0.443 4.999 4.556 -0.000 0.000 0.338 641 H C 1.141 176.571 175.328 0.169 0.000 1.091 641 H CA 0.448 56.582 56.048 0.143 0.000 1.207 641 H CB 1.950 31.679 29.762 -0.056 0.000 1.466 641 H HN 0.710 nan 8.280 nan 0.000 0.493 642 S N 3.194 118.978 115.700 0.140 0.000 4.152 642 S HA -0.437 4.033 4.470 -0.000 0.000 0.538 642 S C 2.071 176.869 174.600 0.329 0.000 1.066 642 S CA 3.045 61.422 58.200 0.295 0.000 3.499 642 S CB -1.064 62.388 63.200 0.421 0.000 2.223 642 S HN 0.910 nan 8.310 nan 0.000 0.462 643 Q N 0.877 120.861 119.800 0.308 0.000 2.135 643 Q HA 0.036 4.376 4.340 -0.000 0.000 0.204 643 Q C 2.311 178.471 176.000 0.266 0.000 0.981 643 Q CA 1.648 57.598 55.803 0.245 0.000 0.856 643 Q CB -1.158 27.700 28.738 0.200 0.000 0.902 643 Q HN 0.792 nan 8.270 nan 0.000 0.425 644 G N 1.187 110.169 108.800 0.302 0.000 2.516 644 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.221 644 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.221 644 G C 1.175 176.262 174.900 0.312 0.000 1.107 644 G CA 0.739 46.037 45.100 0.330 0.000 0.747 644 G HN 0.427 nan 8.290 nan 0.000 0.567 645 E N -0.278 120.133 120.200 0.351 0.000 2.268 645 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 645 E C 2.388 179.251 176.600 0.438 0.000 0.995 645 E CA 0.254 56.899 56.400 0.409 0.000 0.836 645 E CB -0.039 29.968 29.700 0.511 0.000 0.763 645 E HN 0.560 nan 8.360 nan 0.000 0.491 646 I N 0.887 121.630 120.570 0.288 0.000 2.286 646 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 646 I C 2.572 178.803 176.117 0.190 0.000 1.104 646 I CA 0.812 62.140 61.300 0.047 0.000 1.397 646 I CB -0.273 37.591 38.000 -0.228 0.000 1.072 646 I HN 0.019 nan 8.210 nan 0.000 0.417 647 A N 0.950 123.897 122.820 0.213 0.000 1.877 647 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 647 A C 2.568 179.879 177.584 -0.455 0.000 1.186 647 A CA 1.952 53.967 52.037 -0.036 0.000 0.620 647 A CB -0.942 17.969 19.000 -0.147 0.000 0.822 647 A HN 0.412 nan 8.150 nan 0.000 0.443 648 A N -0.085 122.416 122.820 -0.532 0.000 1.883 648 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 648 A C 2.541 180.066 177.584 -0.098 0.000 1.186 648 A CA 2.383 54.150 52.037 -0.451 0.000 0.624 648 A CB -1.164 17.850 19.000 0.022 0.000 0.822 648 A HN 1.158 nan 8.150 nan 0.000 0.444 649 A N -0.834 122.029 122.820 0.071 0.000 1.908 649 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 649 A C 2.055 179.700 177.584 0.102 0.000 1.181 649 A CA 2.341 54.459 52.037 0.134 0.000 0.627 649 A CB -0.902 18.273 19.000 0.291 0.000 0.818 649 A HN 0.835 nan 8.150 nan 0.000 0.445 650 H N -0.672 118.406 119.070 0.014 0.000 2.357 650 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 650 H C 1.709 177.026 175.328 -0.018 0.000 1.082 650 H CA 1.788 57.846 56.048 0.017 0.000 1.342 650 H CB -0.252 29.549 29.762 0.066 0.000 1.389 650 H HN 0.106 nan 8.280 nan 0.000 0.511 651 V N 0.564 120.353 119.914 -0.208 0.000 2.515 651 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 651 V C 2.479 178.510 176.094 -0.104 0.000 1.058 651 V CA 1.499 63.676 62.300 -0.204 0.000 1.064 651 V CB -0.929 30.841 31.823 -0.089 0.000 0.675 651 V HN 0.691 nan 8.190 nan 0.000 0.461 652 A N -0.886 121.903 122.820 -0.051 0.000 2.208 652 A HA 0.378 4.698 4.320 -0.000 0.000 0.209 652 A C 2.015 179.587 177.584 -0.019 0.000 1.161 652 A CA 1.165 53.200 52.037 -0.002 0.000 0.782 652 A CB -0.318 18.703 19.000 0.035 0.000 0.816 652 A HN 1.079 nan 8.150 nan 0.000 0.477 653 G N -2.070 106.695 108.800 -0.058 0.000 2.194 653 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.236 653 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.236 653 G C 1.214 176.114 174.900 0.000 0.000 0.987 653 G CA 0.799 45.874 45.100 -0.041 0.000 0.635 653 G HN 1.359 nan 8.290 nan 0.000 0.520 654 A N -0.591 122.241 122.820 0.020 0.000 2.066 654 A HA 0.617 4.937 4.320 -0.000 0.000 0.218 654 A C 1.074 178.701 177.584 0.071 0.000 1.157 654 A CA 1.311 53.372 52.037 0.040 0.000 0.670 654 A CB 0.048 19.072 19.000 0.039 0.000 0.804 654 A HN 0.807 nan 8.150 nan 0.000 0.453 655 L N 0.125 121.410 121.223 0.104 0.000 2.401 655 L HA 0.341 4.681 4.340 -0.000 0.000 0.266 655 L C 0.353 177.347 176.870 0.206 0.000 0.991 655 L CA -0.857 54.062 54.840 0.130 0.000 0.818 655 L CB 2.363 44.500 42.059 0.131 0.000 1.321 655 L HN 0.277 nan 8.230 nan 0.000 0.413 656 T N -0.959 113.679 114.554 0.140 0.000 2.813 656 T HA 0.098 4.448 4.350 -0.000 0.000 0.297 656 T C 0.910 175.688 174.700 0.131 0.000 1.036 656 T CA -0.521 61.675 62.100 0.161 0.000 1.044 656 T CB 0.981 69.891 68.868 0.070 0.000 0.993 656 T HN 0.487 nan 8.240 nan 0.000 0.535 657 L N 0.566 121.836 121.223 0.077 0.000 2.191 657 L HA 0.063 4.403 4.340 -0.000 0.000 0.212 657 L C 2.254 179.059 176.870 -0.109 0.000 1.103 657 L CA 1.716 56.441 54.840 -0.191 0.000 0.769 657 L CB -0.908 41.087 42.059 -0.107 0.000 0.908 657 L HN 0.790 nan 8.230 nan 0.000 0.438 658 E N -0.850 119.320 120.200 -0.050 0.000 2.170 658 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 658 E C 1.811 178.348 176.600 -0.106 0.000 0.981 658 E CA 0.905 57.276 56.400 -0.048 0.000 0.830 658 E CB -0.153 29.545 29.700 -0.003 0.000 0.775 658 E HN 0.433 nan 8.360 nan 0.000 0.470 659 D N 0.539 120.877 120.400 -0.104 0.000 2.077 659 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 659 D C 1.978 178.107 176.300 -0.284 0.000 0.986 659 D CA 1.547 55.452 54.000 -0.160 0.000 0.829 659 D CB -0.321 40.425 40.800 -0.090 0.000 0.983 659 D HN 0.162 nan 8.370 nan 0.000 0.453 660 A N 1.271 123.937 122.820 -0.257 0.000 1.927 660 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 660 A C 2.305 179.478 177.584 -0.685 0.000 1.185 660 A CA 2.757 54.555 52.037 -0.398 0.000 0.639 660 A CB -0.754 18.151 19.000 -0.159 0.000 0.820 660 A HN 0.278 nan 8.150 nan 0.000 0.451 661 A N -0.145 122.357 122.820 -0.530 0.000 1.855 661 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 661 A C 2.115 179.337 177.584 -0.602 0.000 1.191 661 A CA 2.108 53.817 52.037 -0.546 0.000 0.613 661 A CB -0.548 18.299 19.000 -0.255 0.000 0.829 661 A HN 0.627 nan 8.150 nan 0.000 0.442 662 K N -0.215 119.761 120.400 -0.707 0.000 1.987 662 K HA -0.183 4.137 4.320 -0.000 0.000 0.216 662 K C 1.998 178.242 176.600 -0.593 0.000 1.051 662 K CA 1.832 57.535 56.287 -0.974 0.000 0.942 662 K CB -0.536 31.455 32.500 -0.848 0.000 0.722 662 K HN 0.390 nan 8.250 nan 0.000 0.444 663 L N 0.781 121.688 121.223 -0.526 0.000 2.010 663 L HA -0.247 4.093 4.340 -0.000 0.000 0.219 663 L C 2.447 179.030 176.870 -0.478 0.000 1.077 663 L CA 1.947 56.478 54.840 -0.515 0.000 0.773 663 L CB -0.401 41.250 42.059 -0.681 0.000 0.892 663 L HN 0.319 nan 8.230 nan 0.000 0.436 664 V N -0.739 118.839 119.914 -0.560 0.000 2.591 664 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 664 V C 2.519 178.434 176.094 -0.299 0.000 1.053 664 V CA 1.523 63.551 62.300 -0.453 0.000 1.068 664 V CB 0.152 31.598 31.823 -0.629 0.000 0.689 664 V HN 0.563 nan 8.190 nan 0.000 0.462 665 A N -0.652 121.977 122.820 -0.318 0.000 1.898 665 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 665 A C 2.304 179.804 177.584 -0.139 0.000 1.181 665 A CA 2.026 53.948 52.037 -0.191 0.000 0.620 665 A CB -0.606 18.277 19.000 -0.195 0.000 0.819 665 A HN 0.378 nan 8.150 nan 0.000 0.442 666 V N 0.054 119.859 119.914 -0.181 0.000 2.244 666 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 666 V C 2.600 178.635 176.094 -0.098 0.000 1.042 666 V CA 2.166 64.396 62.300 -0.117 0.000 1.006 666 V CB -0.824 30.924 31.823 -0.125 0.000 0.641 666 V HN 0.693 nan 8.190 nan 0.000 0.446 667 R N 0.821 121.247 120.500 -0.124 0.000 2.140 667 R HA -0.255 4.085 4.340 -0.000 0.000 0.250 667 R C 2.289 178.535 176.300 -0.090 0.000 1.150 667 R CA 2.406 58.451 56.100 -0.092 0.000 0.966 667 R CB -0.341 29.891 30.300 -0.113 0.000 0.869 667 R HN 0.697 nan 8.270 nan 0.000 0.445 668 S N -0.609 115.035 115.700 -0.094 0.000 2.478 668 S HA 0.012 4.482 4.470 -0.000 0.000 0.222 668 S C 1.921 176.475 174.600 -0.076 0.000 1.008 668 S CA 0.166 58.312 58.200 -0.090 0.000 0.928 668 S CB -0.103 63.069 63.200 -0.047 0.000 0.781 668 S HN 0.345 nan 8.310 nan 0.000 0.518 669 R N 1.302 121.772 120.500 -0.049 0.000 2.062 669 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 669 R C 2.091 178.363 176.300 -0.046 0.000 1.136 669 R CA 1.551 57.633 56.100 -0.030 0.000 0.948 669 R CB -0.745 29.546 30.300 -0.014 0.000 0.845 669 R HN 0.351 nan 8.270 nan 0.000 0.430 670 V N 1.759 121.644 119.914 -0.048 0.000 2.252 670 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 670 V C 2.342 178.398 176.094 -0.064 0.000 1.056 670 V CA 1.759 64.034 62.300 -0.041 0.000 1.022 670 V CB -0.588 31.220 31.823 -0.026 0.000 0.641 670 V HN 0.340 nan 8.190 nan 0.000 0.445 671 L N -0.029 121.129 121.223 -0.108 0.000 2.351 671 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 671 L C 2.383 179.121 176.870 -0.221 0.000 1.127 671 L CA 1.738 56.462 54.840 -0.193 0.000 0.786 671 L CB -0.931 40.941 42.059 -0.312 0.000 0.914 671 L HN 0.218 nan 8.230 nan 0.000 0.443 672 R N -1.174 119.240 120.500 -0.143 0.000 2.189 672 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 672 R C 2.268 178.541 176.300 -0.045 0.000 1.092 672 R CA 0.568 56.612 56.100 -0.094 0.000 0.989 672 R CB -0.014 30.257 30.300 -0.050 0.000 0.876 672 R HN 0.354 nan 8.270 nan 0.000 0.457 673 R N 0.135 120.612 120.500 -0.037 0.000 2.105 673 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 673 R C 1.873 178.178 176.300 0.007 0.000 1.135 673 R CA 1.220 57.314 56.100 -0.010 0.000 0.967 673 R CB -0.295 30.001 30.300 -0.007 0.000 0.861 673 R HN 0.280 nan 8.270 nan 0.000 0.442 674 L N 0.528 121.757 121.223 0.009 0.000 2.610 674 L HA 0.080 4.420 4.340 -0.000 0.000 0.232 674 L C 1.209 178.134 176.870 0.093 0.000 1.149 674 L CA -0.263 54.611 54.840 0.055 0.000 0.872 674 L CB -0.625 41.484 42.059 0.084 0.000 0.992 674 L HN 0.105 nan 8.230 nan 0.000 0.447 675 G N 0.093 108.937 108.800 0.073 0.000 2.225 675 G HA2 0.263 4.223 3.960 -0.000 0.000 0.245 675 G HA3 0.263 4.223 3.960 -0.000 0.000 0.245 675 G C 1.157 176.100 174.900 0.072 0.000 1.249 675 G CA 0.371 45.527 45.100 0.093 0.000 0.919 675 G HN 0.462 nan 8.290 nan 0.000 0.486 676 G N 1.686 110.532 108.800 0.077 0.000 2.179 676 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 676 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 676 G C 0.906 175.831 174.900 0.041 0.000 0.977 676 G CA 0.809 45.938 45.100 0.049 0.000 0.641 676 G HN 0.758 nan 8.290 nan 0.000 0.533 677 Q N -0.500 119.332 119.800 0.053 0.000 2.247 677 Q HA 0.477 4.817 4.340 -0.000 0.000 0.211 677 Q C 1.084 177.106 176.000 0.036 0.000 0.861 677 Q CA 0.632 56.460 55.803 0.042 0.000 0.949 677 Q CB 1.050 29.815 28.738 0.045 0.000 1.115 677 Q HN 0.927 nan 8.270 nan 0.000 0.507 678 G N -1.283 107.539 108.800 0.038 0.000 2.466 678 G HA2 0.531 4.491 3.960 -0.000 0.000 0.291 678 G HA3 0.531 4.491 3.960 -0.000 0.000 0.291 678 G C -1.250 173.647 174.900 -0.006 0.000 1.460 678 G CA -0.256 44.854 45.100 0.016 0.000 0.791 678 G HN 0.083 nan 8.290 nan 0.000 0.505 682 S N 1.315 117.003 115.700 -0.019 0.000 2.439 682 S HA 0.783 5.253 4.470 -0.000 0.000 0.282 682 S C -0.473 174.107 174.600 -0.032 0.000 1.170 682 S CA -0.244 57.986 58.200 0.050 0.000 1.054 682 S CB -0.105 63.093 63.200 -0.004 0.000 0.956 682 S HN 0.503 nan 8.310 nan 0.000 0.490 683 F N 1.313 121.273 119.950 0.016 0.000 2.457 683 F HA 0.672 5.199 4.527 -0.000 0.000 0.330 683 F C 1.187 177.024 175.800 0.061 0.000 1.069 683 F CA -0.903 57.121 58.000 0.040 0.000 1.009 683 F CB 1.195 40.215 39.000 0.033 0.000 1.276 683 F HN 0.742 nan 8.300 nan 0.000 0.492 684 G N 2.015 110.992 108.800 0.295 0.000 2.922 684 G HA2 0.575 4.535 3.960 -0.000 0.000 0.335 684 G HA3 0.575 4.535 3.960 -0.000 0.000 0.335 684 G C -1.558 173.508 174.900 0.277 0.000 1.016 684 G CA -0.237 44.988 45.100 0.208 0.000 1.306 684 G HN 0.451 nan 8.290 nan 0.000 0.465 685 L N -0.393 120.955 121.223 0.209 0.000 3.133 685 L HA 0.838 5.178 4.340 -0.000 0.000 0.280 685 L C 0.089 177.019 176.870 0.101 0.000 1.009 685 L CA -1.343 53.592 54.840 0.158 0.000 0.982 685 L CB 0.280 42.461 42.059 0.203 0.000 1.530 685 L HN 0.458 nan 8.230 nan 0.000 0.394 686 G N -1.095 107.749 108.800 0.073 0.000 2.502 686 G HA2 0.520 4.480 3.960 -0.000 0.000 0.305 686 G HA3 0.520 4.480 3.960 -0.000 0.000 0.305 686 G C 0.315 175.235 174.900 0.033 0.000 1.190 686 G CA 0.204 45.335 45.100 0.050 0.000 0.933 686 G HN 0.842 nan 8.290 nan 0.000 0.503 687 T N 0.656 115.226 114.554 0.026 0.000 2.699 687 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 687 T C 2.203 176.906 174.700 0.005 0.000 1.036 687 T CA 2.254 64.362 62.100 0.013 0.000 1.147 687 T CB -0.159 68.717 68.868 0.014 0.000 0.862 687 T HN 0.665 nan 8.240 nan 0.000 0.446 688 E N 1.417 121.623 120.200 0.010 0.000 2.072 688 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 688 E C 2.450 179.053 176.600 0.004 0.000 0.985 688 E CA 0.687 57.090 56.400 0.006 0.000 0.801 688 E CB -0.404 29.302 29.700 0.009 0.000 0.750 688 E HN 0.298 nan 8.360 nan 0.000 0.452 689 Q N 0.480 120.288 119.800 0.014 0.000 2.061 689 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 689 Q C 2.292 178.285 176.000 -0.011 0.000 0.984 689 Q CA 1.780 57.594 55.803 0.019 0.000 0.846 689 Q CB -0.512 28.259 28.738 0.055 0.000 0.902 689 Q HN 0.376 nan 8.270 nan 0.000 0.421 690 A N 1.122 123.926 122.820 -0.027 0.000 1.845 690 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 690 A C 2.377 179.928 177.584 -0.056 0.000 1.195 690 A CA 2.277 54.266 52.037 -0.080 0.000 0.616 690 A CB -1.044 17.900 19.000 -0.094 0.000 0.832 690 A HN 0.392 nan 8.150 nan 0.000 0.443 691 A N 0.819 123.620 122.820 -0.031 0.000 1.896 691 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 691 A C 2.024 179.599 177.584 -0.016 0.000 1.206 691 A CA 2.463 54.489 52.037 -0.018 0.000 0.647 691 A CB -0.959 18.035 19.000 -0.009 0.000 0.828 691 A HN 0.832 nan 8.150 nan 0.000 0.455 692 E N -0.890 119.299 120.200 -0.017 0.000 2.072 692 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 692 E C 2.222 178.804 176.600 -0.031 0.000 0.985 692 E CA 0.953 57.340 56.400 -0.021 0.000 0.801 692 E CB -0.401 29.290 29.700 -0.016 0.000 0.750 692 E HN 0.571 nan 8.360 nan 0.000 0.452 693 R N 0.168 120.649 120.500 -0.033 0.000 2.127 693 R HA -0.027 4.313 4.340 -0.000 0.000 0.238 693 R C 2.252 178.553 176.300 0.002 0.000 1.134 693 R CA 1.458 57.537 56.100 -0.035 0.000 0.975 693 R CB -0.158 30.104 30.300 -0.064 0.000 0.865 693 R HN 0.330 nan 8.270 nan 0.000 0.447 694 I N -0.921 119.664 120.570 0.025 0.000 3.265 694 I HA 0.008 4.178 4.170 -0.000 0.000 0.282 694 I C 2.019 178.218 176.117 0.137 0.000 1.207 694 I CA 0.347 61.737 61.300 0.150 0.000 1.449 694 I CB 0.091 38.119 38.000 0.047 0.000 1.121 694 I HN 0.207 nan 8.210 nan 0.000 0.442 695 G N 1.489 110.303 108.800 0.022 0.000 2.475 695 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.220 695 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.220 695 G C 1.742 176.615 174.900 -0.045 0.000 1.125 695 G CA 0.961 46.061 45.100 -0.000 0.000 0.755 695 G HN 0.398 nan 8.290 nan 0.000 0.565 696 R N 0.173 120.576 120.500 -0.162 0.000 2.139 696 R HA -0.087 4.253 4.340 -0.000 0.000 0.243 696 R C 0.426 176.533 176.300 -0.322 0.000 1.145 696 R CA 0.808 56.727 56.100 -0.301 0.000 0.976 696 R CB -0.615 29.403 30.300 -0.469 0.000 0.866 696 R HN 0.325 nan 8.270 nan 0.000 0.449 697 F N 2.548 122.484 119.950 -0.024 0.000 2.605 697 F HA 0.352 4.879 4.527 -0.000 0.000 0.352 697 F C 0.623 176.414 175.800 -0.015 0.000 1.236 697 F CA -0.471 57.518 58.000 -0.018 0.000 1.267 697 F CB 0.248 39.235 39.000 -0.021 0.000 1.632 697 F HN 0.059 nan 8.300 nan 0.000 0.639 698 A N 1.924 124.801 122.820 0.096 0.000 2.550 698 A HA 0.345 4.665 4.320 -0.000 0.000 0.263 698 A C 1.610 179.243 177.584 0.081 0.000 1.065 698 A CA 0.814 52.889 52.037 0.064 0.000 0.786 698 A CB -0.889 18.131 19.000 0.032 0.000 0.985 698 A HN 1.292 nan 8.150 nan 0.000 0.518 699 G N 2.134 110.977 108.800 0.073 0.000 2.480 699 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 699 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 699 G C 1.573 176.506 174.900 0.056 0.000 1.073 699 G CA 1.434 46.568 45.100 0.056 0.000 0.643 699 G HN 2.109 nan 8.290 nan 0.000 0.525 700 A N -0.081 122.784 122.820 0.076 0.000 1.997 700 A HA 0.325 4.645 4.320 -0.000 0.000 0.221 700 A C 1.329 178.906 177.584 -0.012 0.000 1.172 700 A CA 1.895 53.956 52.037 0.040 0.000 0.645 700 A CB -0.213 18.823 19.000 0.061 0.000 0.813 700 A HN 1.067 nan 8.150 nan 0.000 0.454 701 L N -1.705 119.512 121.223 -0.009 0.000 2.323 701 L HA 0.620 4.960 4.340 -0.000 0.000 0.265 701 L C -0.592 176.275 176.870 -0.005 0.000 1.012 701 L CA -0.559 54.254 54.840 -0.045 0.000 0.820 701 L CB 2.377 44.354 42.059 -0.138 0.000 1.334 701 L HN -0.053 nan 8.230 nan 0.000 0.427 702 S N 1.196 116.890 115.700 -0.010 0.000 2.614 702 S HA 0.532 5.002 4.470 -0.000 0.000 0.275 702 S C -0.536 174.065 174.600 0.002 0.000 1.161 702 S CA -0.516 57.689 58.200 0.008 0.000 0.969 702 S CB 1.541 64.758 63.200 0.029 0.000 1.059 702 S HN 0.380 nan 8.310 nan 0.000 0.482 703 I N 3.033 123.600 120.570 -0.005 0.000 2.578 703 I HA 0.087 4.257 4.170 -0.000 0.000 0.286 703 I C 1.384 177.506 176.117 0.008 0.000 1.126 703 I CA -0.127 61.169 61.300 -0.007 0.000 1.380 703 I CB 0.700 38.692 38.000 -0.013 0.000 1.408 703 I HN 0.898 nan 8.210 nan 0.000 0.532 704 A N 5.147 127.975 122.820 0.014 0.000 1.903 704 A HA 0.068 4.388 4.320 -0.000 0.000 0.213 704 A C 0.888 178.400 177.584 -0.120 0.000 1.185 704 A CA 1.142 53.175 52.037 -0.008 0.000 0.628 704 A CB 0.022 19.041 19.000 0.033 0.000 0.830 704 A HN 0.706 nan 8.150 nan 0.000 0.446 705 S N -1.617 114.052 115.700 -0.052 0.000 2.535 705 S HA 0.472 4.942 4.470 -0.000 0.000 0.272 705 S C -0.957 173.672 174.600 0.049 0.000 1.149 705 S CA -0.076 58.096 58.200 -0.047 0.000 0.888 705 S CB 1.211 64.373 63.200 -0.064 0.000 1.110 705 S HN 1.435 nan 8.310 nan 0.000 0.463 706 V N 1.896 121.850 119.914 0.067 0.000 2.328 706 V HA 0.622 4.742 4.120 -0.000 0.000 0.278 706 V C -0.195 176.015 176.094 0.192 0.000 1.021 706 V CA -0.511 61.850 62.300 0.101 0.000 0.838 706 V CB 0.617 32.478 31.823 0.064 0.000 0.999 706 V HN 0.893 nan 8.190 nan 0.000 0.447 707 N N 4.561 123.383 118.700 0.204 0.000 2.499 707 N HA 0.283 5.023 4.740 -0.000 0.000 0.182 707 N C 0.735 176.409 175.510 0.275 0.000 1.034 707 N CA 1.127 54.353 53.050 0.294 0.000 0.882 707 N CB 0.792 39.346 38.487 0.111 0.000 1.125 707 N HN 0.853 nan 8.380 nan 0.000 0.436 708 G N 0.306 109.194 108.800 0.146 0.000 2.733 708 G HA2 0.415 4.375 3.960 -0.000 0.000 0.288 708 G HA3 0.415 4.375 3.960 -0.000 0.000 0.288 708 G C -2.222 172.718 174.900 0.067 0.000 1.373 708 G CA -0.918 44.239 45.100 0.095 0.000 0.895 708 G HN -0.203 nan 8.290 nan 0.000 0.479 709 P HA -0.034 nan 4.420 nan 0.000 0.223 709 P C 0.784 178.109 177.300 0.041 0.000 1.151 709 P CA 0.767 63.887 63.100 0.034 0.000 0.787 709 P CB 0.515 32.227 31.700 0.020 0.000 0.788 710 R N -0.362 120.166 120.500 0.045 0.000 2.776 710 R HA 0.367 4.707 4.340 -0.000 0.000 0.391 710 R C -0.646 175.697 176.300 0.072 0.000 1.116 710 R CA -0.069 56.063 56.100 0.054 0.000 1.056 710 R CB 0.166 30.488 30.300 0.037 0.000 1.369 710 R HN -0.166 nan 8.270 nan 0.000 0.590 711 S N 0.523 116.271 115.700 0.081 0.000 2.441 711 S HA 0.191 4.661 4.470 -0.000 0.000 0.187 711 S C -1.658 173.002 174.600 0.099 0.000 0.917 711 S CA -0.495 57.758 58.200 0.088 0.000 1.078 711 S CB 0.961 64.198 63.200 0.061 0.000 1.379 711 S HN 0.084 nan 8.310 nan 0.000 0.399 712 V N 4.146 124.134 119.914 0.124 0.000 2.815 712 V HA 0.788 4.908 4.120 -0.000 0.000 0.314 712 V C -0.568 175.615 176.094 0.150 0.000 1.064 712 V CA -0.413 61.953 62.300 0.111 0.000 0.952 712 V CB 2.213 34.080 31.823 0.073 0.000 1.020 712 V HN 0.562 nan 8.190 nan 0.000 0.439 713 V N 5.685 125.669 119.914 0.117 0.000 2.398 713 V HA 0.534 4.654 4.120 -0.000 0.000 0.286 713 V C -0.321 175.836 176.094 0.105 0.000 1.026 713 V CA -0.482 61.898 62.300 0.133 0.000 0.868 713 V CB 1.626 33.504 31.823 0.092 0.000 0.982 713 V HN 0.589 nan 8.190 nan 0.000 0.443 714 V N 3.979 123.985 119.914 0.153 0.000 2.540 714 V HA 0.892 5.012 4.120 -0.000 0.000 0.302 714 V C 0.128 176.271 176.094 0.081 0.000 1.035 714 V CA -0.311 62.024 62.300 0.058 0.000 0.873 714 V CB 1.848 33.605 31.823 -0.110 0.000 0.992 714 V HN 1.031 nan 8.190 nan 0.000 0.428 715 A N 3.308 126.152 122.820 0.039 0.000 2.414 715 A HA 1.055 5.375 4.320 -0.000 0.000 0.306 715 A C 0.039 177.629 177.584 0.009 0.000 1.054 715 A CA 0.132 52.190 52.037 0.035 0.000 0.724 715 A CB 2.052 21.094 19.000 0.069 0.000 1.267 715 A HN 1.557 nan 8.150 nan 0.000 0.418 716 G N 0.145 108.942 108.800 -0.004 0.000 2.399 716 G HA2 0.421 4.381 3.960 -0.000 0.000 0.256 716 G HA3 0.421 4.381 3.960 -0.000 0.000 0.256 716 G C -1.415 173.470 174.900 -0.025 0.000 1.236 716 G CA -0.773 44.317 45.100 -0.017 0.000 0.914 716 G HN 0.759 nan 8.290 nan 0.000 0.482 717 E N 0.741 120.918 120.200 -0.039 0.000 2.316 717 E HA 0.419 4.769 4.350 -0.000 0.000 0.275 717 E C 0.387 176.954 176.600 -0.055 0.000 1.029 717 E CA 0.091 56.471 56.400 -0.032 0.000 0.871 717 E CB 1.321 31.007 29.700 -0.024 0.000 1.022 717 E HN 0.593 nan 8.360 nan 0.000 0.418 718 S N 2.493 118.172 115.700 -0.035 0.000 2.523 718 S HA 0.552 5.022 4.470 -0.000 0.000 0.275 718 S C 0.839 175.418 174.600 -0.035 0.000 1.281 718 S CA 0.280 58.457 58.200 -0.039 0.000 1.050 718 S CB 1.101 64.287 63.200 -0.024 0.000 0.937 718 S HN 0.792 nan 8.310 nan 0.000 0.492 719 G N 4.890 113.663 108.800 -0.045 0.000 2.698 719 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.200 719 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.200 719 G C -1.914 172.944 174.900 -0.070 0.000 2.083 719 G CA 0.083 45.164 45.100 -0.032 0.000 1.629 719 G HN 0.613 nan 8.290 nan 0.000 0.565 720 P HA 0.067 nan 4.420 nan 0.000 0.219 720 P C 2.004 178.982 177.300 -0.537 0.000 1.146 720 P CA 1.247 64.133 63.100 -0.356 0.000 0.808 720 P CB -0.025 31.496 31.700 -0.298 0.000 0.779 721 L N -0.632 120.427 121.223 -0.273 0.000 2.209 721 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 721 L C 1.536 178.365 176.870 -0.068 0.000 1.094 721 L CA 1.824 56.560 54.840 -0.173 0.000 0.790 721 L CB -0.864 41.151 42.059 -0.073 0.000 0.932 721 L HN -0.175 nan 8.230 nan 0.000 0.447 722 D N -0.419 119.945 120.400 -0.060 0.000 2.183 722 D HA -0.161 4.479 4.640 -0.000 0.000 0.203 722 D C 1.880 178.185 176.300 0.009 0.000 0.969 722 D CA 0.987 54.979 54.000 -0.014 0.000 0.842 722 D CB 0.099 40.891 40.800 -0.012 0.000 0.957 722 D HN 0.498 nan 8.370 nan 0.000 0.484 723 E N 0.733 120.930 120.200 -0.004 0.000 2.058 723 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 723 E C 2.268 178.931 176.600 0.105 0.000 0.997 723 E CA 0.377 56.820 56.400 0.072 0.000 0.801 723 E CB -0.064 29.733 29.700 0.161 0.000 0.746 723 E HN 0.194 nan 8.360 nan 0.000 0.450 724 L N 0.860 122.098 121.223 0.025 0.000 2.141 724 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 724 L C 2.255 179.267 176.870 0.236 0.000 1.094 724 L CA 1.024 55.925 54.840 0.102 0.000 0.763 724 L CB -0.142 41.873 42.059 -0.074 0.000 0.908 724 L HN 0.219 nan 8.230 nan 0.000 0.437 725 I N -0.321 120.371 120.570 0.203 0.000 2.286 725 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 725 I C 2.456 178.617 176.117 0.073 0.000 1.104 725 I CA 1.001 62.377 61.300 0.127 0.000 1.397 725 I CB -0.329 37.671 38.000 0.001 0.000 1.072 725 I HN 0.177 nan 8.210 nan 0.000 0.417 726 A N -0.290 122.568 122.820 0.064 0.000 2.239 726 A HA -0.136 4.184 4.320 -0.000 0.000 0.209 726 A C 2.026 179.649 177.584 0.065 0.000 1.171 726 A CA 0.942 53.010 52.037 0.052 0.000 0.768 726 A CB -0.517 18.509 19.000 0.044 0.000 0.790 726 A HN 0.464 nan 8.150 nan 0.000 0.478 727 E N -1.902 118.349 120.200 0.085 0.000 2.481 727 E HA 0.095 4.445 4.350 -0.000 0.000 0.198 727 E C 0.583 177.222 176.600 0.064 0.000 1.027 727 E CA 0.267 56.711 56.400 0.074 0.000 0.900 727 E CB 0.139 29.889 29.700 0.082 0.000 0.993 727 E HN 0.589 nan 8.360 nan 0.000 0.482 728 C N -0.534 118.817 119.300 0.085 0.000 3.449 728 C HA 0.221 4.681 4.460 -0.000 0.000 0.404 728 C C 1.686 176.762 174.990 0.143 0.000 1.383 728 C CA -0.248 58.838 59.018 0.113 0.000 1.936 728 C CB 0.116 27.936 27.740 0.134 0.000 2.738 728 C HN 0.357 nan 8.230 nan 0.000 0.663 729 E N 1.816 122.064 120.200 0.081 0.000 2.442 729 E HA 0.141 4.491 4.350 -0.000 0.000 0.195 729 E C 1.956 178.591 176.600 0.058 0.000 1.030 729 E CA 0.707 57.141 56.400 0.057 0.000 0.869 729 E CB -0.007 29.707 29.700 0.024 0.000 0.857 729 E HN 0.589 nan 8.360 nan 0.000 0.505 730 A N 0.820 123.679 122.820 0.066 0.000 2.169 730 A HA -0.043 4.277 4.320 -0.000 0.000 0.212 730 A C 1.116 178.746 177.584 0.078 0.000 1.153 730 A CA 0.690 52.763 52.037 0.060 0.000 0.756 730 A CB 0.116 19.148 19.000 0.054 0.000 0.813 730 A HN 0.104 nan 8.150 nan 0.000 0.471 731 E N -1.527 118.745 120.200 0.121 0.000 2.921 731 E HA 0.435 4.785 4.350 -0.000 0.000 0.203 731 E C 0.175 176.887 176.600 0.187 0.000 0.975 731 E CA 0.167 56.662 56.400 0.160 0.000 1.225 731 E CB 0.570 30.398 29.700 0.214 0.000 1.048 731 E HN 0.630 nan 8.360 nan 0.000 0.477 732 A N 1.558 124.455 122.820 0.128 0.000 2.822 732 A HA -0.234 4.086 4.320 -0.000 0.000 0.287 732 A C -0.196 177.419 177.584 0.052 0.000 1.479 732 A CA 0.923 53.001 52.037 0.069 0.000 0.779 732 A CB -2.252 16.758 19.000 0.017 0.000 1.022 732 A HN 0.575 nan 8.150 nan 0.000 0.532 733 H N -0.257 118.835 119.070 0.038 0.000 2.551 733 H HA 0.286 4.842 4.556 -0.000 0.000 0.358 733 H C 0.548 175.884 175.328 0.014 0.000 1.151 733 H CA -0.149 55.930 56.048 0.051 0.000 1.374 733 H CB 0.660 30.490 29.762 0.114 0.000 1.473 733 H HN 0.396 nan 8.280 nan 0.000 0.574 734 K N 1.084 121.548 120.400 0.107 0.000 2.472 734 K HA 0.276 4.596 4.320 -0.000 0.000 0.280 734 K C -0.492 176.106 176.600 -0.004 0.000 1.028 734 K CA 0.139 56.448 56.287 0.038 0.000 1.045 734 K CB 0.546 33.066 32.500 0.032 0.000 0.902 734 K HN 0.647 nan 8.250 nan 0.000 0.478 735 A N 3.854 126.563 122.820 -0.184 0.000 2.770 735 A HA 0.236 4.556 4.320 -0.000 0.000 0.295 735 A C -0.960 176.348 177.584 -0.460 0.000 1.256 735 A CA -0.903 50.801 52.037 -0.556 0.000 0.870 735 A CB 0.468 19.218 19.000 -0.417 0.000 1.451 735 A HN 0.429 nan 8.150 nan 0.000 0.505 736 R N 1.181 121.435 120.500 -0.410 0.000 2.474 736 R HA 0.447 4.787 4.340 -0.000 0.000 0.295 736 R C -0.417 175.748 176.300 -0.225 0.000 0.980 736 R CA -0.789 55.167 56.100 -0.240 0.000 0.934 736 R CB 1.270 31.481 30.300 -0.148 0.000 1.101 736 R HN 0.547 nan 8.270 nan 0.000 0.469 737 R N 2.939 123.348 120.500 -0.152 0.000 2.309 737 R HA 0.203 4.543 4.340 -0.000 0.000 0.331 737 R C 0.145 176.393 176.300 -0.086 0.000 1.116 737 R CA -0.162 55.871 56.100 -0.111 0.000 0.970 737 R CB -0.305 29.945 30.300 -0.083 0.000 1.024 737 R HN 0.508 nan 8.270 nan 0.000 0.472 738 I N 6.469 126.989 120.570 -0.083 0.000 2.598 738 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 738 I C -1.232 174.838 176.117 -0.077 0.000 1.140 738 I CA -1.304 59.953 61.300 -0.071 0.000 1.420 738 I CB 0.732 38.690 38.000 -0.071 0.000 1.387 738 I HN 0.213 nan 8.210 nan 0.000 0.553 739 P HA 0.161 nan 4.420 nan 0.000 0.226 739 P C -0.539 176.732 177.300 -0.049 0.000 1.783 739 P CA 0.217 63.291 63.100 -0.045 0.000 0.980 739 P CB 0.254 31.940 31.700 -0.023 0.000 1.967 740 V N 1.274 121.128 119.914 -0.100 0.000 2.925 740 V HA 0.196 4.316 4.120 -0.000 0.000 0.311 740 V C 0.678 176.666 176.094 -0.178 0.000 1.104 740 V CA -0.297 61.894 62.300 -0.183 0.000 0.954 740 V CB 2.657 34.239 31.823 -0.401 0.000 1.022 740 V HN -0.017 nan 8.190 nan 0.000 0.427 741 D N 1.633 122.002 120.400 -0.051 0.000 2.339 741 D HA 0.155 4.795 4.640 -0.000 0.000 0.217 741 D C -0.391 175.992 176.300 0.139 0.000 1.050 741 D CA 0.786 54.844 54.000 0.096 0.000 0.856 741 D CB 0.172 41.095 40.800 0.205 0.000 0.922 741 D HN 0.574 nan 8.370 nan 0.000 0.518 742 Y N -2.839 117.473 120.300 0.020 0.000 2.677 742 Y HA 0.745 5.295 4.550 -0.000 0.000 0.334 742 Y C -1.151 174.765 175.900 0.028 0.000 1.154 742 Y CA -2.076 56.036 58.100 0.020 0.000 1.070 742 Y CB 1.003 39.474 38.460 0.019 0.000 1.294 742 Y HN -0.258 nan 8.280 nan 0.000 0.475 743 A N 1.554 124.485 122.820 0.185 0.000 3.030 743 A HA 0.621 4.941 4.320 -0.000 0.000 0.335 743 A C -0.678 176.998 177.584 0.154 0.000 1.089 743 A CA -0.617 51.480 52.037 0.100 0.000 0.807 743 A CB -0.614 18.419 19.000 0.056 0.000 1.099 743 A HN 0.689 nan 8.150 nan 0.000 0.474 744 S N 1.134 116.971 115.700 0.227 0.000 2.592 744 S HA 0.166 4.636 4.470 -0.000 0.000 0.256 744 S C 0.595 175.243 174.600 0.080 0.000 1.369 744 S CA 0.095 58.355 58.200 0.100 0.000 0.984 744 S CB -0.138 63.148 63.200 0.144 0.000 0.919 744 S HN 0.770 nan 8.310 nan 0.000 0.576 745 H N -0.904 118.190 119.070 0.040 0.000 2.655 745 H HA -0.138 4.418 4.556 -0.000 0.000 0.313 745 H C 0.260 175.589 175.328 0.002 0.000 1.141 745 H CA 0.949 56.997 56.048 0.000 0.000 1.138 745 H CB -2.178 27.590 29.762 0.010 0.000 1.446 745 H HN 0.676 nan 8.280 nan 0.000 0.415 746 S N -1.869 113.861 115.700 0.050 0.000 2.607 746 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 746 S C -2.328 172.288 174.600 0.027 0.000 1.148 746 S CA -1.242 56.985 58.200 0.045 0.000 0.833 746 S CB 3.179 66.410 63.200 0.052 0.000 1.130 746 S HN -0.194 nan 8.310 nan 0.000 0.470 747 P HA -0.084 nan 4.420 nan 0.000 0.220 747 P C 1.158 178.485 177.300 0.045 0.000 1.144 747 P CA 1.187 64.310 63.100 0.039 0.000 0.800 747 P CB -0.053 31.669 31.700 0.036 0.000 0.772 748 Q N -0.900 118.925 119.800 0.042 0.000 2.364 748 Q HA -0.086 4.254 4.340 -0.000 0.000 0.209 748 Q C 1.699 177.730 176.000 0.052 0.000 0.977 748 Q CA 0.906 56.736 55.803 0.046 0.000 0.885 748 Q CB -0.416 28.352 28.738 0.049 0.000 0.941 748 Q HN 0.195 nan 8.270 nan 0.000 0.464 749 V N 1.023 120.967 119.914 0.050 0.000 3.041 749 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 749 V C 1.939 178.128 176.094 0.159 0.000 1.105 749 V CA 1.043 63.384 62.300 0.068 0.000 1.125 749 V CB -0.303 31.509 31.823 -0.018 0.000 0.730 749 V HN 0.274 nan 8.190 nan 0.000 0.479 750 E N 0.514 120.799 120.200 0.142 0.000 2.118 750 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 750 E C 2.437 179.086 176.600 0.083 0.000 0.992 750 E CA 1.546 58.034 56.400 0.147 0.000 0.804 750 E CB -0.354 29.402 29.700 0.094 0.000 0.741 750 E HN 0.588 nan 8.360 nan 0.000 0.458 751 S N 0.886 116.623 115.700 0.063 0.000 2.407 751 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 751 S C 1.937 176.557 174.600 0.034 0.000 1.036 751 S CA 0.923 59.145 58.200 0.038 0.000 1.013 751 S CB -0.159 63.061 63.200 0.034 0.000 0.820 751 S HN 0.254 nan 8.310 nan 0.000 0.476 752 L N 0.554 121.817 121.223 0.067 0.000 2.592 752 L HA 0.233 4.573 4.340 -0.000 0.000 0.227 752 L C 2.313 179.213 176.870 0.050 0.000 1.127 752 L CA 0.007 54.886 54.840 0.063 0.000 0.884 752 L CB -0.360 41.749 42.059 0.084 0.000 1.065 752 L HN 0.197 nan 8.230 nan 0.000 0.457 753 R N 1.388 121.881 120.500 -0.012 0.000 2.083 753 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 753 R C 2.094 178.275 176.300 -0.198 0.000 1.137 753 R CA 2.208 58.130 56.100 -0.296 0.000 0.951 753 R CB -0.053 29.936 30.300 -0.517 0.000 0.851 753 R HN 0.413 nan 8.270 nan 0.000 0.434 754 E N 0.226 120.357 120.200 -0.115 0.000 2.031 754 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 754 E C 1.925 178.494 176.600 -0.051 0.000 0.994 754 E CA 1.764 58.115 56.400 -0.082 0.000 0.800 754 E CB -0.082 29.586 29.700 -0.054 0.000 0.752 754 E HN 0.466 nan 8.360 nan 0.000 0.447 755 E N 0.143 120.325 120.200 -0.030 0.000 2.077 755 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 755 E C 2.236 178.831 176.600 -0.008 0.000 0.989 755 E CA 1.090 57.481 56.400 -0.015 0.000 0.800 755 E CB -0.078 29.618 29.700 -0.007 0.000 0.746 755 E HN 0.302 nan 8.360 nan 0.000 0.452 756 L N 0.356 121.582 121.223 0.006 0.000 1.961 756 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 756 L C 2.626 179.512 176.870 0.026 0.000 1.072 756 L CA 1.201 56.062 54.840 0.036 0.000 0.749 756 L CB -0.462 41.665 42.059 0.114 0.000 0.889 756 L HN 0.273 nan 8.230 nan 0.000 0.432 757 L N -0.902 120.318 121.223 -0.005 0.000 2.081 757 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 757 L C 2.524 179.392 176.870 -0.003 0.000 1.080 757 L CA 1.524 56.359 54.840 -0.008 0.000 0.754 757 L CB -0.889 41.129 42.059 -0.070 0.000 0.893 757 L HN 0.372 nan 8.230 nan 0.000 0.433 758 T N -0.180 114.366 114.554 -0.014 0.000 2.542 758 T HA -0.226 4.124 4.350 -0.000 0.000 0.257 758 T C 1.431 176.130 174.700 -0.002 0.000 1.111 758 T CA 1.781 63.876 62.100 -0.010 0.000 1.203 758 T CB -0.258 68.602 68.868 -0.013 0.000 0.866 758 T HN 0.571 nan 8.240 nan 0.000 0.399 759 E N 1.075 121.273 120.200 -0.004 0.000 2.445 759 E HA 0.131 4.481 4.350 -0.000 0.000 0.189 759 E C 1.417 178.010 176.600 -0.012 0.000 1.069 759 E CA 0.145 56.541 56.400 -0.005 0.000 0.871 759 E CB -0.297 29.400 29.700 -0.006 0.000 0.991 759 E HN 0.436 nan 8.360 nan 0.000 0.481 760 L N 0.647 121.867 121.223 -0.005 0.000 2.616 760 L HA 0.325 4.665 4.340 -0.000 0.000 0.229 760 L C 1.005 177.882 176.870 0.011 0.000 1.110 760 L CA -0.349 54.483 54.840 -0.013 0.000 0.884 760 L CB 0.318 42.383 42.059 0.009 0.000 1.115 760 L HN 0.146 nan 8.230 nan 0.000 0.481 761 A N -0.118 122.713 122.820 0.018 0.000 2.407 761 A HA 0.474 4.794 4.320 -0.000 0.000 0.248 761 A C 1.239 178.832 177.584 0.015 0.000 1.082 761 A CA 0.742 52.794 52.037 0.025 0.000 0.785 761 A CB 0.128 19.139 19.000 0.020 0.000 1.020 761 A HN 0.480 nan 8.150 nan 0.000 0.489 762 G N 0.449 109.261 108.800 0.020 0.000 2.168 762 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.197 762 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.197 762 G C -0.059 174.848 174.900 0.012 0.000 0.997 762 G CA 0.075 45.183 45.100 0.013 0.000 0.658 762 G HN 0.789 nan 8.290 nan 0.000 0.513 763 I N 2.150 122.733 120.570 0.023 0.000 2.428 763 I HA 0.555 4.725 4.170 -0.000 0.000 0.289 763 I C 0.487 176.629 176.117 0.042 0.000 1.019 763 I CA -0.102 61.212 61.300 0.023 0.000 1.351 763 I CB 1.749 39.774 38.000 0.042 0.000 1.412 763 I HN 0.045 nan 8.210 nan 0.000 0.513 764 S N 7.868 123.588 115.700 0.034 0.000 2.217 764 S HA 0.387 4.857 4.470 -0.000 0.000 0.168 764 S C -2.350 172.276 174.600 0.043 0.000 1.526 764 S CA -0.987 57.234 58.200 0.035 0.000 1.150 764 S CB -0.064 63.150 63.200 0.023 0.000 1.158 764 S HN 0.464 nan 8.310 nan 0.000 0.473 765 P HA 0.514 nan 4.420 nan 0.000 0.276 765 P C -0.722 176.594 177.300 0.026 0.000 1.244 765 P CA -0.405 62.726 63.100 0.051 0.000 0.801 765 P CB 1.050 32.781 31.700 0.051 0.000 1.006 766 V N 0.265 120.190 119.914 0.019 0.000 3.012 766 V HA 0.200 4.320 4.120 -0.000 0.000 0.307 766 V C 0.219 176.314 176.094 0.001 0.000 1.166 766 V CA -0.724 61.582 62.300 0.010 0.000 0.974 766 V CB 2.068 33.901 31.823 0.016 0.000 1.040 766 V HN 0.577 nan 8.190 nan 0.000 0.428 767 S N 2.076 117.774 115.700 -0.003 0.000 2.566 767 S HA 0.527 4.997 4.470 -0.000 0.000 0.280 767 S C 0.159 174.760 174.600 0.002 0.000 1.343 767 S CA 0.208 58.404 58.200 -0.006 0.000 1.036 767 S CB 0.872 64.069 63.200 -0.005 0.000 0.866 767 S HN 1.221 nan 8.310 nan 0.000 0.526 768 A N 2.004 124.826 122.820 0.003 0.000 2.335 768 A HA 0.487 4.807 4.320 -0.000 0.000 0.304 768 A C 0.959 178.555 177.584 0.020 0.000 1.118 768 A CA -0.876 51.168 52.037 0.011 0.000 0.757 768 A CB 0.586 19.594 19.000 0.014 0.000 1.188 768 A HN 0.816 nan 8.150 nan 0.000 0.460 769 D N 1.668 122.080 120.400 0.020 0.000 2.585 769 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 769 D C 0.673 176.999 176.300 0.043 0.000 1.057 769 D CA 2.081 56.097 54.000 0.027 0.000 0.900 769 D CB -0.951 39.862 40.800 0.021 0.000 0.900 769 D HN 0.280 nan 8.370 nan 0.000 0.463 770 V N 0.809 120.753 119.914 0.049 0.000 2.532 770 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 770 V C 0.699 176.847 176.094 0.089 0.000 1.041 770 V CA -0.983 61.361 62.300 0.073 0.000 0.926 770 V CB 1.509 33.371 31.823 0.066 0.000 0.992 770 V HN 0.415 nan 8.190 nan 0.000 0.457 771 A N 4.669 127.570 122.820 0.135 0.000 2.445 771 A HA 0.558 4.878 4.320 -0.000 0.000 0.242 771 A C -0.473 177.224 177.584 0.189 0.000 1.075 771 A CA 0.022 52.162 52.037 0.171 0.000 0.777 771 A CB 0.274 19.462 19.000 0.313 0.000 1.013 771 A HN 0.772 nan 8.150 nan 0.000 0.493 772 L N 2.995 124.312 121.223 0.156 0.000 2.415 772 L HA 0.425 4.765 4.340 -0.000 0.000 0.268 772 L C -1.837 175.130 176.870 0.161 0.000 0.984 772 L CA -0.526 54.414 54.840 0.168 0.000 0.853 772 L CB 0.646 42.754 42.059 0.081 0.000 1.215 772 L HN 0.629 nan 8.230 nan 0.000 0.419 773 Y N 2.839 123.153 120.300 0.023 0.000 2.627 773 Y HA 0.237 4.787 4.550 -0.000 0.000 0.347 773 Y C 1.268 177.197 175.900 0.048 0.000 1.099 773 Y CA 0.176 58.288 58.100 0.020 0.000 1.408 773 Y CB 0.674 39.125 38.460 -0.014 0.000 1.247 773 Y HN 0.662 nan 8.280 nan 0.000 0.506 774 S N 1.422 117.190 115.700 0.114 0.000 2.537 774 S HA 0.009 4.479 4.470 -0.000 0.000 0.286 774 S C 1.304 175.963 174.600 0.099 0.000 1.299 774 S CA 0.232 58.512 58.200 0.132 0.000 1.067 774 S CB 0.390 63.675 63.200 0.142 0.000 0.864 774 S HN 0.805 nan 8.310 nan 0.000 0.494 775 T N 1.967 116.582 114.554 0.101 0.000 3.051 775 T HA 0.013 4.363 4.350 -0.000 0.000 0.255 775 T C 1.777 176.464 174.700 -0.022 0.000 1.085 775 T CA 0.754 62.885 62.100 0.052 0.000 1.109 775 T CB -0.486 68.432 68.868 0.083 0.000 0.921 775 T HN 0.609 nan 8.240 nan 0.000 0.488 776 T N 2.516 117.027 114.554 -0.071 0.000 2.668 776 T HA -0.095 4.255 4.350 -0.000 0.000 0.262 776 T C 2.178 176.782 174.700 -0.160 0.000 1.045 776 T CA 1.880 63.860 62.100 -0.199 0.000 1.152 776 T CB -0.890 67.664 68.868 -0.523 0.000 0.864 776 T HN 0.425 nan 8.240 nan 0.000 0.419 777 T N 0.216 114.700 114.554 -0.117 0.000 2.612 777 T HA 0.257 4.607 4.350 -0.000 0.000 0.259 777 T C 1.766 176.445 174.700 -0.034 0.000 1.065 777 T CA 1.593 63.657 62.100 -0.059 0.000 1.167 777 T CB -0.720 68.143 68.868 -0.008 0.000 0.863 777 T HN 0.644 nan 8.240 nan 0.000 0.407 778 G N 0.384 109.176 108.800 -0.013 0.000 2.164 778 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.154 778 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.154 778 G C -0.189 174.707 174.900 -0.005 0.000 1.014 778 G CA -0.427 44.671 45.100 -0.003 0.000 0.683 778 G HN 0.427 nan 8.290 nan 0.000 0.500 779 Q N -0.540 119.244 119.800 -0.026 0.000 2.544 779 Q HA 0.525 4.865 4.340 -0.000 0.000 0.291 779 Q C -3.023 172.874 176.000 -0.171 0.000 1.068 779 Q CA -1.758 53.997 55.803 -0.080 0.000 0.785 779 Q CB 2.665 31.361 28.738 -0.070 0.000 1.481 779 Q HN 0.159 nan 8.270 nan 0.000 0.430 780 P HA 0.293 nan 4.420 nan 0.000 0.287 780 P C -0.488 176.671 177.300 -0.234 0.000 1.281 780 P CA -0.121 62.680 63.100 -0.499 0.000 0.781 780 P CB 0.321 31.475 31.700 -0.910 0.000 0.903 781 I N -0.756 119.725 120.570 -0.148 0.000 3.217 781 I HA 0.653 4.823 4.170 -0.000 0.000 0.308 781 I C -0.397 175.674 176.117 -0.078 0.000 1.091 781 I CA -1.268 59.978 61.300 -0.090 0.000 1.013 781 I CB 1.571 39.532 38.000 -0.064 0.000 1.250 781 I HN 0.024 nan 8.210 nan 0.000 0.496 782 D N 1.166 121.527 120.400 -0.066 0.000 2.347 782 D HA 0.175 4.815 4.640 -0.000 0.000 0.235 782 D C 1.197 177.449 176.300 -0.079 0.000 1.149 782 D CA -0.087 53.879 54.000 -0.056 0.000 0.850 782 D CB 1.326 42.101 40.800 -0.041 0.000 1.061 782 D HN 0.742 nan 8.370 nan 0.000 0.487 783 T N 1.499 116.009 114.554 -0.073 0.000 2.803 783 T HA -0.243 4.107 4.350 -0.000 0.000 0.269 783 T C 1.983 176.616 174.700 -0.112 0.000 1.052 783 T CA 0.977 63.014 62.100 -0.105 0.000 1.136 783 T CB -0.448 68.389 68.868 -0.051 0.000 0.864 783 T HN 0.367 nan 8.240 nan 0.000 0.467 784 A N 1.571 124.353 122.820 -0.062 0.000 2.139 784 A HA 0.029 4.349 4.320 -0.000 0.000 0.221 784 A C 1.738 179.283 177.584 -0.065 0.000 1.159 784 A CA 1.426 53.438 52.037 -0.043 0.000 0.662 784 A CB -1.462 17.525 19.000 -0.022 0.000 0.796 784 A HN 0.594 nan 8.150 nan 0.000 0.463 788 T N -2.094 112.603 114.554 0.238 0.000 2.759 788 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 788 T C 2.047 176.896 174.700 0.249 0.000 1.042 788 T CA 2.457 64.719 62.100 0.271 0.000 1.140 788 T CB -0.842 68.122 68.868 0.160 0.000 0.864 788 T HN 0.714 nan 8.240 nan 0.000 0.455 789 A N 1.006 123.926 122.820 0.168 0.000 1.873 789 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 789 A C 2.152 179.827 177.584 0.153 0.000 1.193 789 A CA 1.938 54.067 52.037 0.153 0.000 0.629 789 A CB -1.453 17.604 19.000 0.095 0.000 0.826 789 A HN 0.613 nan 8.150 nan 0.000 0.447 790 Y N -0.966 119.298 120.300 -0.059 0.000 2.053 790 Y HA -0.307 4.243 4.550 -0.000 0.000 0.277 790 Y C 2.187 177.933 175.900 -0.258 0.000 1.159 790 Y CA 2.194 60.146 58.100 -0.247 0.000 1.125 790 Y CB -0.682 37.488 38.460 -0.483 0.000 0.969 790 Y HN 0.467 nan 8.280 nan 0.000 0.492 791 W N -1.554 119.940 121.300 0.324 0.000 2.421 791 W HA -0.215 4.445 4.660 -0.000 0.000 0.270 791 W C 2.271 178.844 176.519 0.089 0.000 1.233 791 W CA 1.113 58.580 57.345 0.204 0.000 1.226 791 W CB -0.697 28.866 29.460 0.170 0.000 1.121 791 W HN 0.247 nan 8.180 nan 0.000 0.579 792 Y N 1.212 121.615 120.300 0.173 0.000 2.200 792 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 792 Y C 2.294 178.191 175.900 -0.004 0.000 1.137 792 Y CA 1.863 60.006 58.100 0.072 0.000 1.163 792 Y CB -0.908 37.578 38.460 0.043 0.000 0.988 792 Y HN -0.106 nan 8.280 nan 0.000 0.518 793 A N 0.766 123.445 122.820 -0.235 0.000 1.933 793 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 793 A C 2.299 179.684 177.584 -0.332 0.000 1.175 793 A CA 1.647 53.471 52.037 -0.355 0.000 0.628 793 A CB -1.165 17.662 19.000 -0.288 0.000 0.814 793 A HN 0.684 nan 8.150 nan 0.000 0.444 794 N N 0.088 118.607 118.700 -0.301 0.000 2.132 794 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 794 N C 1.624 177.120 175.510 -0.022 0.000 1.015 794 N CA 1.650 54.631 53.050 -0.116 0.000 0.864 794 N CB -0.199 38.341 38.487 0.088 0.000 1.006 794 N HN 0.538 nan 8.380 nan 0.000 0.430 795 L N 0.054 121.173 121.223 -0.173 0.000 2.298 795 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 795 L C 2.544 179.120 176.870 -0.490 0.000 1.084 795 L CA 0.433 55.073 54.840 -0.333 0.000 0.816 795 L CB -0.108 41.819 42.059 -0.219 0.000 0.967 795 L HN 0.128 nan 8.230 nan 0.000 0.460 796 R N 0.320 120.533 120.500 -0.479 0.000 2.080 796 R HA 0.011 4.351 4.340 -0.000 0.000 0.222 796 R C 0.617 176.829 176.300 -0.146 0.000 1.107 796 R CA 0.656 56.525 56.100 -0.385 0.000 0.980 796 R CB 0.079 30.010 30.300 -0.615 0.000 0.879 796 R HN 0.109 nan 8.270 nan 0.000 0.439 797 E N 1.496 121.631 120.200 -0.108 0.000 2.349 797 E HA 0.020 4.370 4.350 -0.000 0.000 0.265 797 E C -0.717 175.937 176.600 0.090 0.000 1.064 797 E CA -0.329 56.055 56.400 -0.027 0.000 0.886 797 E CB 0.636 30.280 29.700 -0.094 0.000 1.036 797 E HN 0.314 nan 8.360 nan 0.000 0.413 798 Q N 0.945 120.758 119.800 0.022 0.000 2.395 798 Q HA 0.009 4.349 4.340 -0.000 0.000 0.271 798 Q C 0.694 176.648 176.000 -0.077 0.000 1.026 798 Q CA -0.170 55.620 55.803 -0.021 0.000 0.900 798 Q CB 0.923 29.649 28.738 -0.020 0.000 1.266 798 Q HN 0.311 nan 8.270 nan 0.000 0.430 799 V N 3.412 123.222 119.914 -0.174 0.000 2.407 799 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 799 V C 0.450 176.482 176.094 -0.103 0.000 1.041 799 V CA 1.414 63.583 62.300 -0.219 0.000 1.040 799 V CB -0.601 30.934 31.823 -0.481 0.000 0.671 799 V HN 1.020 nan 8.190 nan 0.000 0.455 800 R N -1.838 118.635 120.500 -0.045 0.000 3.322 800 R HA -0.237 4.103 4.340 -0.000 0.000 0.266 800 R C 0.681 177.014 176.300 0.054 0.000 1.072 800 R CA 0.656 56.761 56.100 0.008 0.000 0.715 800 R CB -2.483 27.811 30.300 -0.011 0.000 1.199 800 R HN 0.484 nan 8.270 nan 0.000 0.421 801 F N 1.085 120.999 119.950 -0.059 0.000 2.149 801 F HA -0.103 4.424 4.527 -0.000 0.000 0.294 801 F C 2.631 178.439 175.800 0.012 0.000 1.095 801 F CA 1.907 59.901 58.000 -0.010 0.000 1.276 801 F CB -0.084 38.954 39.000 0.063 0.000 1.023 801 F HN 0.275 nan 8.300 nan 0.000 0.480 802 Q N 0.339 120.174 119.800 0.057 0.000 2.133 802 Q HA -0.287 4.053 4.340 -0.000 0.000 0.208 802 Q C 1.578 177.506 176.000 -0.120 0.000 0.991 802 Q CA 2.509 58.281 55.803 -0.052 0.000 0.867 802 Q CB -0.331 28.430 28.738 0.038 0.000 0.911 802 Q HN 0.519 nan 8.270 nan 0.000 0.417 803 D N 0.063 120.423 120.400 -0.066 0.000 2.097 803 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 803 D C 1.714 177.981 176.300 -0.054 0.000 0.989 803 D CA 1.542 55.517 54.000 -0.042 0.000 0.827 803 D CB -0.273 40.520 40.800 -0.011 0.000 0.966 803 D HN 0.396 nan 8.370 nan 0.000 0.456 804 A N 0.292 123.056 122.820 -0.095 0.000 1.969 804 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 804 A C 2.223 179.700 177.584 -0.179 0.000 1.169 804 A CA 1.766 53.768 52.037 -0.058 0.000 0.635 804 A CB -0.986 17.992 19.000 -0.037 0.000 0.810 804 A HN 0.204 nan 8.150 nan 0.000 0.445 805 T N -0.410 113.912 114.554 -0.388 0.000 2.607 805 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 805 T C 2.105 176.716 174.700 -0.147 0.000 1.049 805 T CA 1.594 63.464 62.100 -0.382 0.000 1.162 805 T CB -0.287 68.305 68.868 -0.460 0.000 0.863 805 T HN 0.517 nan 8.240 nan 0.000 0.424 806 R N 0.806 121.247 120.500 -0.098 0.000 2.081 806 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 806 R C 2.559 178.887 176.300 0.048 0.000 1.131 806 R CA 1.423 57.515 56.100 -0.014 0.000 0.960 806 R CB -0.314 29.980 30.300 -0.011 0.000 0.856 806 R HN 0.528 nan 8.270 nan 0.000 0.436 807 Q N 0.139 119.983 119.800 0.074 0.000 2.217 807 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 807 Q C 2.199 178.317 176.000 0.198 0.000 0.988 807 Q CA 1.731 57.652 55.803 0.198 0.000 0.878 807 Q CB -0.090 28.856 28.738 0.348 0.000 0.909 807 Q HN 0.379 nan 8.270 nan 0.000 0.424 808 L N -0.555 120.667 121.223 -0.002 0.000 2.068 808 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 808 L C 2.516 179.520 176.870 0.223 0.000 1.076 808 L CA 0.857 55.671 54.840 -0.043 0.000 0.753 808 L CB -0.641 41.277 42.059 -0.235 0.000 0.910 808 L HN 0.107 nan 8.230 nan 0.000 0.439 809 A N 0.360 123.315 122.820 0.225 0.000 1.859 809 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 809 A C 2.163 179.822 177.584 0.126 0.000 1.198 809 A CA 2.160 54.324 52.037 0.211 0.000 0.629 809 A CB -0.666 18.421 19.000 0.145 0.000 0.830 809 A HN 0.492 nan 8.150 nan 0.000 0.446 810 E N -0.659 119.604 120.200 0.104 0.000 2.418 810 E HA 0.095 4.445 4.350 -0.000 0.000 0.197 810 E C 1.540 178.188 176.600 0.080 0.000 1.026 810 E CA 0.488 56.934 56.400 0.077 0.000 0.862 810 E CB -0.147 29.594 29.700 0.069 0.000 0.799 810 E HN 0.601 nan 8.360 nan 0.000 0.518 811 A N 0.511 123.406 122.820 0.125 0.000 2.379 811 A HA 0.379 4.699 4.320 -0.000 0.000 0.236 811 A C 1.182 178.734 177.584 -0.053 0.000 1.272 811 A CA 0.431 52.533 52.037 0.108 0.000 0.886 811 A CB -0.082 19.086 19.000 0.281 0.000 0.962 811 A HN 0.203 nan 8.150 nan 0.000 0.504 812 G N -0.857 107.906 108.800 -0.062 0.000 2.370 812 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.268 812 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.268 812 G C -0.465 174.192 174.900 -0.406 0.000 1.122 812 G CA -0.200 44.785 45.100 -0.192 0.000 0.963 812 G HN 0.296 nan 8.290 nan 0.000 0.500 813 F N 0.532 120.388 119.950 -0.156 0.000 2.467 813 F HA 0.485 5.012 4.527 0.000 0.000 0.336 813 F C 0.983 176.562 175.800 -0.368 0.000 1.123 813 F CA -0.540 57.265 58.000 -0.325 0.000 0.964 813 F CB 1.886 40.591 39.000 -0.491 0.000 1.136 813 F HN 0.158 nan 8.300 nan 0.000 0.447 814 D N 0.935 121.223 120.400 -0.187 0.000 2.431 814 D HA 0.255 4.895 4.640 -0.000 0.000 0.227 814 D C 0.351 176.556 176.300 -0.158 0.000 1.030 814 D CA 0.147 54.079 54.000 -0.114 0.000 0.897 814 D CB 0.044 40.795 40.800 -0.082 0.000 1.058 814 D HN 0.305 nan 8.370 nan 0.000 0.500 815 A N 0.015 122.662 122.820 -0.290 0.000 2.304 815 A HA 0.621 4.941 4.320 -0.000 0.000 0.323 815 A C -1.391 175.919 177.584 -0.457 0.000 1.195 815 A CA -0.611 51.288 52.037 -0.229 0.000 0.826 815 A CB 0.564 19.474 19.000 -0.150 0.000 1.184 815 A HN 0.082 nan 8.150 nan 0.000 0.496 816 F N 2.328 122.227 119.950 -0.085 0.000 2.500 816 F HA 0.395 4.922 4.527 -0.000 0.000 0.349 816 F C -0.141 175.551 175.800 -0.181 0.000 1.127 816 F CA -0.577 57.346 58.000 -0.128 0.000 0.998 816 F CB 2.150 41.097 39.000 -0.087 0.000 1.237 816 F HN 0.276 nan 8.300 nan 0.000 0.439 817 V N 2.937 122.760 119.914 -0.153 0.000 2.364 817 V HA 0.217 4.337 4.120 -0.000 0.000 0.272 817 V C 0.164 176.089 176.094 -0.283 0.000 1.036 817 V CA -0.691 61.401 62.300 -0.347 0.000 0.880 817 V CB 1.244 32.600 31.823 -0.779 0.000 0.991 817 V HN 0.598 nan 8.190 nan 0.000 0.460 818 E N 4.044 124.143 120.200 -0.168 0.000 2.001 818 E HA 0.233 4.583 4.350 -0.000 0.000 0.279 818 E C -0.894 175.634 176.600 -0.120 0.000 1.045 818 E CA -0.325 55.995 56.400 -0.133 0.000 0.833 818 E CB 1.596 31.264 29.700 -0.053 0.000 1.077 818 E HN 0.531 nan 8.360 nan 0.000 0.397 819 V N 4.743 124.503 119.914 -0.257 0.000 2.223 819 V HA 0.117 4.237 4.120 -0.000 0.000 0.249 819 V C 0.093 176.220 176.094 0.055 0.000 1.233 819 V CA -0.079 62.152 62.300 -0.115 0.000 1.131 819 V CB -0.432 31.152 31.823 -0.397 0.000 1.298 819 V HN 0.581 nan 8.190 nan 0.000 0.498 820 S N 3.821 119.611 115.700 0.149 0.000 2.547 820 S HA 0.577 5.047 4.470 -0.000 0.000 0.270 820 S C -2.605 172.137 174.600 0.235 0.000 1.150 820 S CA -1.267 57.042 58.200 0.181 0.000 0.850 820 S CB 2.428 65.709 63.200 0.134 0.000 1.118 820 S HN 0.204 nan 8.310 nan 0.000 0.461 821 P HA 0.096 nan 4.420 nan 0.000 0.230 821 P C -0.151 177.491 177.300 0.569 0.000 1.158 821 P CA 1.262 64.590 63.100 0.380 0.000 0.769 821 P CB -0.282 31.567 31.700 0.249 0.000 0.807 822 H N -0.847 118.383 119.070 0.266 0.000 3.083 822 H HA 0.304 4.860 4.556 -0.000 0.000 0.339 822 H C -2.867 172.518 175.328 0.095 0.000 1.020 822 H CA -2.299 53.858 56.048 0.181 0.000 1.360 822 H CB 1.511 31.394 29.762 0.202 0.000 1.811 822 H HN -0.256 nan 8.280 nan 0.000 0.493 823 P HA -0.023 nan 4.420 nan 0.000 0.267 823 P C 0.094 177.219 177.300 -0.292 0.000 1.209 823 P CA 0.261 63.225 63.100 -0.227 0.000 0.763 823 P CB 1.823 33.400 31.700 -0.205 0.000 0.816 824 V N 4.140 123.960 119.914 -0.157 0.000 3.350 824 V HA 0.068 4.188 4.120 -0.000 0.000 0.246 824 V C 1.702 177.704 176.094 -0.153 0.000 1.363 824 V CA 0.624 62.844 62.300 -0.132 0.000 1.162 824 V CB -0.127 31.649 31.823 -0.079 0.000 0.947 824 V HN 0.314 nan 8.190 nan 0.000 0.454 825 L N -0.337 120.782 121.223 -0.175 0.000 2.298 825 L HA 0.060 4.400 4.340 -0.000 0.000 0.209 825 L C 2.348 179.177 176.870 -0.068 0.000 1.084 825 L CA 1.244 55.975 54.840 -0.181 0.000 0.816 825 L CB -0.701 41.160 42.059 -0.331 0.000 0.967 825 L HN 0.253 nan 8.230 nan 0.000 0.460 826 T N 0.496 115.009 114.554 -0.069 0.000 2.634 826 T HA -0.321 4.029 4.350 -0.000 0.000 0.256 826 T C 1.899 176.572 174.700 -0.046 0.000 1.131 826 T CA 2.400 64.469 62.100 -0.053 0.000 1.149 826 T CB -0.385 68.445 68.868 -0.064 0.000 0.849 826 T HN 0.082 nan 8.240 nan 0.000 0.457 827 V N 0.878 120.763 119.914 -0.048 0.000 2.237 827 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 827 V C 2.856 178.939 176.094 -0.020 0.000 1.046 827 V CA 2.161 64.440 62.300 -0.034 0.000 1.007 827 V CB -1.423 30.380 31.823 -0.033 0.000 0.638 827 V HN 0.672 nan 8.190 nan 0.000 0.445 828 G N -0.334 108.465 108.800 -0.001 0.000 2.485 828 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.221 828 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.221 828 G C 1.534 176.453 174.900 0.031 0.000 1.115 828 G CA 1.217 46.339 45.100 0.036 0.000 0.751 828 G HN 0.522 nan 8.290 nan 0.000 0.567 829 I N 0.186 120.759 120.570 0.004 0.000 2.233 829 I HA -0.071 4.099 4.170 -0.000 0.000 0.243 829 I C 2.732 178.751 176.117 -0.163 0.000 1.093 829 I CA 1.102 62.326 61.300 -0.126 0.000 1.380 829 I CB -0.277 37.589 38.000 -0.224 0.000 1.067 829 I HN 0.202 nan 8.210 nan 0.000 0.413 830 E N 1.206 121.343 120.200 -0.105 0.000 2.023 830 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 830 E C 2.367 178.938 176.600 -0.049 0.000 1.003 830 E CA 1.483 57.841 56.400 -0.070 0.000 0.809 830 E CB -0.350 29.326 29.700 -0.039 0.000 0.755 830 E HN 0.501 nan 8.360 nan 0.000 0.449 831 A N 0.770 123.571 122.820 -0.033 0.000 1.958 831 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 831 A C 2.371 179.941 177.584 -0.024 0.000 1.178 831 A CA 2.271 54.297 52.037 -0.019 0.000 0.642 831 A CB -1.026 17.971 19.000 -0.006 0.000 0.816 831 A HN 0.229 nan 8.150 nan 0.000 0.453 832 T N -0.175 114.354 114.554 -0.043 0.000 2.904 832 T HA 0.058 4.408 4.350 -0.000 0.000 0.267 832 T C 1.624 176.289 174.700 -0.059 0.000 1.059 832 T CA 1.193 63.261 62.100 -0.053 0.000 1.137 832 T CB -0.242 68.576 68.868 -0.083 0.000 0.879 832 T HN 0.388 nan 8.240 nan 0.000 0.467 833 L N 0.663 121.843 121.223 -0.073 0.000 2.418 833 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 833 L C 2.137 179.001 176.870 -0.010 0.000 1.125 833 L CA 0.566 55.381 54.840 -0.042 0.000 0.835 833 L CB -0.337 41.694 42.059 -0.046 0.000 0.953 833 L HN 0.134 nan 8.230 nan 0.000 0.454 834 D N -0.577 119.816 120.400 -0.012 0.000 2.084 834 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 834 D C 2.280 178.580 176.300 -0.001 0.000 0.985 834 D CA 1.492 55.491 54.000 -0.003 0.000 0.826 834 D CB -0.165 40.633 40.800 -0.004 0.000 0.978 834 D HN 0.086 nan 8.370 nan 0.000 0.456 835 S N 0.050 115.748 115.700 -0.004 0.000 2.380 835 S HA -0.226 4.244 4.470 -0.000 0.000 0.229 835 S C 1.797 176.398 174.600 0.002 0.000 1.043 835 S CA 1.923 60.122 58.200 -0.002 0.000 1.038 835 S CB -0.042 63.155 63.200 -0.005 0.000 0.872 835 S HN 0.311 nan 8.310 nan 0.000 0.456 836 A N 0.621 123.441 122.820 0.001 0.000 1.919 836 A HA 0.468 4.788 4.320 -0.000 0.000 0.211 836 A C 0.963 178.558 177.584 0.019 0.000 1.310 836 A CA 0.024 52.067 52.037 0.010 0.000 0.651 836 A CB -0.494 18.512 19.000 0.010 0.000 0.996 836 A HN 0.465 nan 8.150 nan 0.000 0.479 837 L N 0.662 121.900 121.223 0.025 0.000 2.466 837 L HA 0.269 4.609 4.340 -0.000 0.000 0.257 837 L C -2.159 174.723 176.870 0.019 0.000 1.189 837 L CA -1.962 52.895 54.840 0.029 0.000 0.813 837 L CB 0.032 42.117 42.059 0.043 0.000 1.118 837 L HN 0.125 nan 8.230 nan 0.000 0.471 838 P HA -0.005 nan 4.420 nan 0.000 0.261 838 P C -0.830 176.477 177.300 0.012 0.000 1.183 838 P CA -0.171 62.936 63.100 0.012 0.000 0.761 838 P CB 0.390 32.095 31.700 0.009 0.000 0.785 839 A N 3.683 126.509 122.820 0.010 0.000 2.507 839 A HA 0.110 4.430 4.320 -0.000 0.000 0.281 839 A C 1.054 178.643 177.584 0.009 0.000 1.154 839 A CA 0.723 52.765 52.037 0.009 0.000 0.828 839 A CB -0.944 18.060 19.000 0.007 0.000 1.069 839 A HN 0.672 nan 8.150 nan 0.000 0.522 840 D N 0.238 120.644 120.400 0.010 0.000 2.703 840 D HA -0.184 4.455 4.640 -0.000 0.000 0.185 840 D C 1.113 177.418 176.300 0.008 0.000 0.893 840 D CA 1.559 55.564 54.000 0.009 0.000 0.978 840 D CB -1.430 39.375 40.800 0.008 0.000 1.029 840 D HN 0.793 nan 8.370 nan 0.000 0.468 841 A N 0.300 123.126 122.820 0.010 0.000 1.972 841 A HA 0.386 4.706 4.320 -0.000 0.000 0.219 841 A C 2.085 179.672 177.584 0.006 0.000 1.169 841 A CA 2.982 55.023 52.037 0.007 0.000 0.635 841 A CB -0.200 18.805 19.000 0.008 0.000 0.810 841 A HN 1.162 nan 8.150 nan 0.000 0.446 842 G N -2.803 106.005 108.800 0.013 0.000 3.505 842 G HA2 0.327 4.287 3.960 -0.000 0.000 0.210 842 G HA3 0.327 4.287 3.960 -0.000 0.000 0.210 842 G C 0.529 175.445 174.900 0.027 0.000 1.047 842 G CA 0.086 45.193 45.100 0.011 0.000 0.884 842 G HN 1.431 nan 8.290 nan 0.000 0.434 843 A N 0.828 123.678 122.820 0.051 0.000 2.598 843 A HA 0.394 4.714 4.320 -0.000 0.000 0.239 843 A C 1.142 178.789 177.584 0.106 0.000 1.032 843 A CA 1.039 53.133 52.037 0.095 0.000 0.760 843 A CB -0.730 18.380 19.000 0.182 0.000 0.946 843 A HN 2.000 nan 8.150 nan 0.000 0.512 844 C N 1.477 120.842 119.300 0.108 0.000 2.397 844 C HA 0.847 5.307 4.460 -0.000 0.000 0.343 844 C C -0.248 174.839 174.990 0.162 0.000 1.188 844 C CA -0.737 58.339 59.018 0.097 0.000 1.992 844 C CB 0.546 28.317 27.740 0.051 0.000 2.358 844 C HN 0.792 nan 8.230 nan 0.000 0.518 845 V N 3.574 123.554 119.914 0.110 0.000 2.488 845 V HA 0.542 4.662 4.120 -0.000 0.000 0.293 845 V C -0.488 175.638 176.094 0.052 0.000 1.027 845 V CA -0.202 62.160 62.300 0.103 0.000 0.862 845 V CB 1.337 33.181 31.823 0.034 0.000 1.008 845 V HN 0.902 nan 8.190 nan 0.000 0.428 846 V N 4.045 123.984 119.914 0.042 0.000 2.531 846 V HA 0.767 4.887 4.120 -0.000 0.000 0.301 846 V C 0.836 176.947 176.094 0.028 0.000 1.034 846 V CA -0.008 62.315 62.300 0.038 0.000 0.865 846 V CB 2.029 33.886 31.823 0.056 0.000 0.995 846 V HN 0.887 nan 8.190 nan 0.000 0.424 847 G N 3.236 112.062 108.800 0.043 0.000 2.516 847 G HA2 0.473 4.433 3.960 -0.000 0.000 0.276 847 G HA3 0.473 4.433 3.960 -0.000 0.000 0.276 847 G C 0.518 175.516 174.900 0.164 0.000 1.390 847 G CA 0.593 45.725 45.100 0.055 0.000 1.050 847 G HN 0.633 nan 8.290 nan 0.000 0.519 848 T N -1.038 113.633 114.554 0.196 0.000 3.409 848 T HA 0.288 4.638 4.350 -0.000 0.000 0.188 848 T C 0.919 175.732 174.700 0.189 0.000 0.929 848 T CA -0.254 62.022 62.100 0.294 0.000 1.184 848 T CB -0.438 68.710 68.868 0.467 0.000 1.570 848 T HN 0.176 nan 8.240 nan 0.000 0.367 849 L N 0.921 122.277 121.223 0.221 0.000 2.448 849 L HA 0.663 5.003 4.340 -0.000 0.000 0.258 849 L C 0.212 177.218 176.870 0.226 0.000 1.104 849 L CA -0.925 54.048 54.840 0.221 0.000 0.800 849 L CB 0.723 42.959 42.059 0.294 0.000 1.241 849 L HN 0.185 nan 8.230 nan 0.000 0.472 850 R N 0.006 120.627 120.500 0.202 0.000 2.912 850 R HA 0.401 4.741 4.340 -0.000 0.000 0.262 850 R C -0.619 175.620 176.300 -0.101 0.000 1.057 850 R CA -0.922 55.285 56.100 0.178 0.000 0.981 850 R CB 1.625 31.955 30.300 0.050 0.000 1.201 850 R HN 0.611 nan 8.270 nan 0.000 0.484 851 R N 1.863 122.130 120.500 -0.389 0.000 2.538 851 R HA -0.069 4.271 4.340 -0.000 0.000 0.282 851 R C -0.809 174.726 176.300 -1.276 0.000 1.009 851 R CA 0.795 56.000 56.100 -1.491 0.000 1.063 851 R CB 0.155 29.790 30.300 -1.110 0.000 0.945 851 R HN 0.734 nan 8.270 nan 0.000 0.414 852 D N 2.490 121.640 120.400 -2.083 0.000 2.955 852 D HA -0.199 4.441 4.640 -0.000 0.000 0.226 852 D C -0.562 175.492 176.300 -0.410 0.000 1.178 852 D CA 1.209 54.645 54.000 -0.939 0.000 0.808 852 D CB -0.353 40.174 40.800 -0.455 0.000 1.099 852 D HN 0.700 nan 8.370 nan 0.000 0.421 853 R N -0.353 119.940 120.500 -0.344 0.000 2.701 853 R HA 0.383 4.723 4.340 -0.000 0.000 0.281 853 R C 0.870 177.241 176.300 0.118 0.000 1.367 853 R CA 0.099 56.165 56.100 -0.058 0.000 1.510 853 R CB 0.929 31.189 30.300 -0.068 0.000 1.306 853 R HN 0.111 nan 8.270 nan 0.000 0.682 854 G N -0.288 108.682 108.800 0.283 0.000 2.783 854 G HA2 0.500 4.460 3.960 -0.000 0.000 0.182 854 G HA3 0.500 4.460 3.960 -0.000 0.000 0.182 854 G C 0.170 175.122 174.900 0.085 0.000 1.516 854 G CA 0.163 45.421 45.100 0.264 0.000 1.079 854 G HN 0.438 nan 8.290 nan 0.000 0.573 855 G N -1.935 106.866 108.800 0.000 0.000 2.880 855 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 855 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 855 G C 0.866 175.710 174.900 -0.094 0.000 1.505 855 G CA 0.010 45.078 45.100 -0.052 0.000 1.057 855 G HN 0.825 nan 8.290 nan 0.000 0.599 856 L N 1.478 122.609 121.223 -0.152 0.000 1.997 856 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 856 L C 3.380 180.115 176.870 -0.224 0.000 1.074 856 L CA 2.902 57.587 54.840 -0.258 0.000 0.763 856 L CB -0.792 41.118 42.059 -0.248 0.000 0.890 856 L HN 1.055 nan 8.230 nan 0.000 0.434 857 A N -0.691 122.093 122.820 -0.060 0.000 1.948 857 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 857 A C 1.877 179.482 177.584 0.037 0.000 1.177 857 A CA 2.165 54.230 52.037 0.046 0.000 0.636 857 A CB -0.530 18.504 19.000 0.057 0.000 0.815 857 A HN 0.514 nan 8.150 nan 0.000 0.449 858 D N -1.686 118.720 120.400 0.010 0.000 2.194 858 D HA -0.054 4.586 4.640 -0.000 0.000 0.204 858 D C 1.606 177.904 176.300 -0.004 0.000 0.964 858 D CA 0.862 54.872 54.000 0.018 0.000 0.846 858 D CB -0.236 40.584 40.800 0.033 0.000 0.962 858 D HN 0.508 nan 8.370 nan 0.000 0.490 859 F N 2.277 122.107 119.950 -0.201 0.000 2.075 859 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 859 F C 2.413 178.053 175.800 -0.266 0.000 1.113 859 F CA 1.581 59.396 58.000 -0.308 0.000 1.218 859 F CB -0.298 38.424 39.000 -0.463 0.000 0.984 859 F HN -0.032 nan 8.300 nan 0.000 0.472 860 H N -0.377 118.629 119.070 -0.106 0.000 2.426 860 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 860 H C 2.282 177.551 175.328 -0.097 0.000 1.107 860 H CA 1.832 57.811 56.048 -0.114 0.000 1.298 860 H CB -1.177 28.629 29.762 0.074 0.000 1.377 860 H HN 0.282 nan 8.280 nan 0.000 0.519 861 T N 0.556 115.127 114.554 0.029 0.000 2.777 861 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 861 T C 2.325 177.010 174.700 -0.024 0.000 1.040 861 T CA 1.192 63.308 62.100 0.026 0.000 1.141 861 T CB -0.341 68.542 68.868 0.025 0.000 0.868 861 T HN 0.480 nan 8.240 nan 0.000 0.444 862 A N 1.168 123.901 122.820 -0.145 0.000 1.908 862 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 862 A C 2.304 179.802 177.584 -0.144 0.000 1.181 862 A CA 1.157 53.119 52.037 -0.125 0.000 0.627 862 A CB -0.887 17.997 19.000 -0.193 0.000 0.818 862 A HN 0.451 nan 8.150 nan 0.000 0.445 863 L N -0.820 120.109 121.223 -0.490 0.000 1.970 863 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 863 L C 2.872 179.783 176.870 0.067 0.000 1.071 863 L CA 1.481 56.074 54.840 -0.413 0.000 0.751 863 L CB -0.912 40.679 42.059 -0.781 0.000 0.889 863 L HN 0.501 nan 8.230 nan 0.000 0.432 864 G N -1.170 107.794 108.800 0.273 0.000 2.469 864 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 864 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 864 G C 1.464 176.541 174.900 0.296 0.000 1.136 864 G CA 0.464 45.804 45.100 0.401 0.000 0.759 864 G HN 0.291 nan 8.290 nan 0.000 0.562 865 E N 0.670 120.979 120.200 0.181 0.000 2.058 865 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 865 E C 2.952 179.652 176.600 0.166 0.000 0.997 865 E CA 1.115 57.604 56.400 0.148 0.000 0.801 865 E CB -0.388 29.375 29.700 0.105 0.000 0.746 865 E HN 0.355 nan 8.360 nan 0.000 0.450 866 A N 0.545 123.484 122.820 0.199 0.000 1.841 866 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 866 A C 2.178 179.876 177.584 0.190 0.000 1.195 866 A CA 1.625 53.773 52.037 0.185 0.000 0.611 866 A CB -1.175 17.983 19.000 0.263 0.000 0.835 866 A HN 0.409 nan 8.150 nan 0.000 0.443 867 Y N 0.901 121.285 120.300 0.140 0.000 2.114 867 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 867 Y C 2.592 178.580 175.900 0.146 0.000 1.165 867 Y CA 1.700 59.906 58.100 0.177 0.000 1.148 867 Y CB -0.603 38.071 38.460 0.357 0.000 0.972 867 Y HN 0.315 nan 8.280 nan 0.000 0.504 868 A N 0.289 123.279 122.820 0.283 0.000 1.986 868 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 868 A C 1.941 179.510 177.584 -0.025 0.000 1.171 868 A CA 2.096 54.210 52.037 0.128 0.000 0.640 868 A CB -0.630 18.474 19.000 0.172 0.000 0.811 868 A HN 0.757 nan 8.150 nan 0.000 0.451 869 Q N -1.963 117.830 119.800 -0.011 0.000 2.319 869 Q HA 0.332 4.672 4.340 -0.000 0.000 0.202 869 Q C 0.916 176.874 176.000 -0.071 0.000 0.896 869 Q CA 0.421 56.203 55.803 -0.034 0.000 0.942 869 Q CB 0.480 29.220 28.738 0.004 0.000 1.083 869 Q HN 0.924 nan 8.270 nan 0.000 0.510 870 G N 0.751 109.477 108.800 -0.123 0.000 2.154 870 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.186 870 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.186 870 G C 0.108 174.958 174.900 -0.084 0.000 1.000 870 G CA -0.312 44.704 45.100 -0.140 0.000 0.664 870 G HN 0.180 nan 8.290 nan 0.000 0.513 871 V N 1.097 120.989 119.914 -0.037 0.000 2.585 871 V HA 0.306 4.426 4.120 -0.000 0.000 0.296 871 V C 0.844 176.962 176.094 0.041 0.000 1.035 871 V CA 0.071 62.375 62.300 0.008 0.000 1.084 871 V CB 1.107 32.958 31.823 0.046 0.000 0.953 871 V HN 0.417 nan 8.190 nan 0.000 0.483 872 E N 3.601 123.825 120.200 0.040 0.000 2.328 872 E HA 0.333 4.683 4.350 -0.000 0.000 0.265 872 E C -0.570 176.093 176.600 0.105 0.000 1.057 872 E CA 0.150 56.593 56.400 0.072 0.000 0.916 872 E CB 0.833 30.561 29.700 0.046 0.000 0.993 872 E HN 0.460 nan 8.360 nan 0.000 0.446 873 V N 3.071 123.075 119.914 0.150 0.000 2.735 873 V HA 0.257 4.377 4.120 -0.000 0.000 0.310 873 V C -0.575 175.508 176.094 -0.019 0.000 1.061 873 V CA -0.975 61.332 62.300 0.012 0.000 0.913 873 V CB 2.237 33.950 31.823 -0.183 0.000 1.005 873 V HN 0.595 nan 8.190 nan 0.000 0.428 874 D N 2.192 122.566 120.400 -0.043 0.000 2.392 874 D HA 0.257 4.897 4.640 -0.000 0.000 0.228 874 D C -0.047 176.284 176.300 0.051 0.000 1.074 874 D CA -0.352 53.676 54.000 0.046 0.000 0.838 874 D CB 1.299 42.142 40.800 0.072 0.000 1.067 874 D HN 0.530 nan 8.370 nan 0.000 0.511 875 W N 2.180 123.615 121.300 0.226 0.000 2.863 875 W HA -0.033 4.627 4.660 -0.000 0.000 0.258 875 W C 2.360 179.071 176.519 0.319 0.000 1.298 875 W CA -0.068 57.438 57.345 0.269 0.000 1.451 875 W CB 0.022 29.609 29.460 0.213 0.000 1.107 875 W HN 0.369 nan 8.180 nan 0.000 0.641 876 S N 1.302 117.283 115.700 0.467 0.000 2.381 876 S HA -0.266 4.204 4.470 -0.000 0.000 0.230 876 S C -0.579 174.193 174.600 0.288 0.000 1.052 876 S CA 1.625 60.076 58.200 0.418 0.000 1.068 876 S CB -2.200 61.160 63.200 0.266 0.000 0.918 876 S HN 0.144 nan 8.310 nan 0.000 0.448 877 P HA -0.124 nan 4.420 nan 0.000 0.218 877 P C 1.306 178.637 177.300 0.051 0.000 1.152 877 P CA 1.803 64.906 63.100 0.003 0.000 0.857 877 P CB -0.266 31.267 31.700 -0.279 0.000 0.787 878 A N -2.462 120.390 122.820 0.054 0.000 2.239 878 A HA -0.015 4.305 4.320 -0.000 0.000 0.209 878 A C 0.534 177.746 177.584 -0.622 0.000 1.171 878 A CA 0.725 52.586 52.037 -0.292 0.000 0.768 878 A CB -1.117 17.528 19.000 -0.592 0.000 0.790 878 A HN 0.147 nan 8.150 nan 0.000 0.478 879 F N -0.272 119.757 119.950 0.133 0.000 2.577 879 F HA 0.514 5.040 4.527 -0.000 0.000 0.342 879 F C 0.703 176.478 175.800 -0.041 0.000 1.479 879 F CA -1.076 56.962 58.000 0.064 0.000 1.110 879 F CB 0.030 39.133 39.000 0.171 0.000 1.306 879 F HN 0.144 nan 8.300 nan 0.000 0.554 880 A N 0.427 123.291 122.820 0.072 0.000 2.520 880 A HA 0.313 4.633 4.320 -0.000 0.000 0.245 880 A C 1.018 178.581 177.584 -0.035 0.000 1.072 880 A CA 0.334 52.378 52.037 0.011 0.000 0.761 880 A CB -0.017 18.987 19.000 0.006 0.000 1.004 880 A HN 0.716 nan 8.150 nan 0.000 0.499 881 D N -1.029 119.319 120.400 -0.087 0.000 3.046 881 D HA -0.209 4.431 4.640 -0.000 0.000 0.210 881 D C 0.573 176.751 176.300 -0.203 0.000 1.124 881 D CA 1.558 55.486 54.000 -0.118 0.000 0.986 881 D CB -1.938 38.824 40.800 -0.063 0.000 1.118 881 D HN 1.143 nan 8.370 nan 0.000 0.416 882 A N 0.283 122.896 122.820 -0.345 0.000 2.406 882 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 882 A C 0.720 177.925 177.584 -0.632 0.000 1.082 882 A CA 0.259 52.014 52.037 -0.471 0.000 0.786 882 A CB 0.617 19.279 19.000 -0.564 0.000 1.029 882 A HN 0.195 nan 8.150 nan 0.000 0.495 883 R N 0.808 121.134 120.500 -0.291 0.000 2.807 883 R HA 0.531 4.871 4.340 -0.000 0.000 0.276 883 R C -2.831 173.598 176.300 0.214 0.000 0.979 883 R CA -1.947 54.117 56.100 -0.060 0.000 0.928 883 R CB 1.715 32.003 30.300 -0.021 0.000 1.191 883 R HN 0.534 nan 8.270 nan 0.000 0.471 884 P HA 0.222 nan 4.420 nan 0.000 0.276 884 P C -0.926 176.425 177.300 0.085 0.000 1.252 884 P CA -0.340 62.878 63.100 0.196 0.000 0.802 884 P CB 1.181 32.941 31.700 0.099 0.000 1.035 885 V N -0.330 119.608 119.914 0.041 0.000 3.120 885 V HA 0.240 4.360 4.120 -0.000 0.000 0.303 885 V C -0.717 175.385 176.094 0.013 0.000 1.238 885 V CA -0.937 61.389 62.300 0.044 0.000 1.008 885 V CB 2.160 34.028 31.823 0.076 0.000 1.064 885 V HN 0.607 nan 8.190 nan 0.000 0.434 886 E N 3.591 123.811 120.200 0.032 0.000 2.338 886 E HA 0.491 4.841 4.350 -0.000 0.000 0.272 886 E C -1.394 175.168 176.600 -0.064 0.000 1.029 886 E CA -0.240 56.161 56.400 0.002 0.000 0.872 886 E CB 1.019 30.738 29.700 0.031 0.000 1.015 886 E HN 0.535 nan 8.360 nan 0.000 0.417 887 L N 4.618 125.758 121.223 -0.139 0.000 2.301 887 L HA 0.505 4.845 4.340 -0.000 0.000 0.264 887 L C -2.049 174.711 176.870 -0.183 0.000 1.016 887 L CA -2.379 52.273 54.840 -0.313 0.000 0.821 887 L CB 1.556 43.450 42.059 -0.276 0.000 1.346 887 L HN 0.515 nan 8.230 nan 0.000 0.429 888 P HA 0.051 nan 4.420 nan 0.000 0.271 888 P C -0.766 176.515 177.300 -0.033 0.000 1.233 888 P CA -0.169 62.884 63.100 -0.079 0.000 0.795 888 P CB 0.610 32.262 31.700 -0.080 0.000 0.936 889 V N -0.129 119.787 119.914 0.004 0.000 3.103 889 V HA 0.233 4.353 4.120 -0.000 0.000 0.318 889 V C -0.496 175.592 176.094 -0.009 0.000 1.114 889 V CA -0.916 61.420 62.300 0.060 0.000 1.020 889 V CB 1.576 33.464 31.823 0.108 0.000 1.085 889 V HN 0.403 nan 8.190 nan 0.000 0.446 890 Y N 5.626 125.836 120.300 -0.151 0.000 2.721 890 Y HA 0.161 4.711 4.550 0.000 0.000 0.329 890 Y C -1.798 173.695 175.900 -0.679 0.000 1.211 890 Y CA -1.380 56.456 58.100 -0.439 0.000 1.512 890 Y CB 0.749 38.808 38.460 -0.669 0.000 1.249 890 Y HN 0.359 nan 8.280 nan 0.000 0.549 891 P HA 0.049 nan 4.420 nan 0.000 0.268 891 P C -1.056 175.826 177.300 -0.696 0.000 1.541 891 P CA 0.123 62.827 63.100 -0.661 0.000 1.093 891 P CB -0.548 30.856 31.700 -0.494 0.000 1.551 892 F N 1.761 121.572 119.950 -0.230 0.000 2.572 892 F HA 0.060 4.587 4.527 -0.000 0.000 0.370 892 F C 1.612 177.335 175.800 -0.130 0.000 1.103 892 F CA 0.592 58.513 58.000 -0.131 0.000 1.286 892 F CB 0.330 39.260 39.000 -0.116 0.000 1.105 892 F HN 0.194 nan 8.300 nan 0.000 0.583 893 Q N 4.830 124.685 119.800 0.092 0.000 2.571 893 Q HA 0.260 4.600 4.340 -0.000 0.000 0.222 893 Q C -0.028 175.984 176.000 0.021 0.000 1.167 893 Q CA -0.103 55.707 55.803 0.011 0.000 0.966 893 Q CB 0.527 29.251 28.738 -0.022 0.000 1.274 893 Q HN 0.600 nan 8.270 nan 0.000 0.552 894 R N 1.018 121.530 120.500 0.020 0.000 2.532 894 R HA 0.448 4.788 4.340 -0.000 0.000 0.272 894 R C 0.163 176.443 176.300 -0.034 0.000 1.032 894 R CA -0.372 55.737 56.100 0.015 0.000 1.089 894 R CB 1.197 31.518 30.300 0.034 0.000 1.098 894 R HN 0.435 nan 8.270 nan 0.000 0.526 895 Q N 1.045 120.802 119.800 -0.072 0.000 2.421 895 Q HA 0.283 4.623 4.340 -0.000 0.000 0.280 895 Q C -1.040 174.725 176.000 -0.392 0.000 1.085 895 Q CA -0.951 54.694 55.803 -0.263 0.000 0.807 895 Q CB 3.201 31.701 28.738 -0.397 0.000 1.405 895 Q HN 0.374 nan 8.270 nan 0.000 0.419 896 R N 1.720 122.001 120.500 -0.364 0.000 2.248 896 R HA 0.282 4.622 4.340 -0.000 0.000 0.328 896 R C -1.470 174.636 176.300 -0.323 0.000 1.067 896 R CA 0.167 56.137 56.100 -0.216 0.000 0.924 896 R CB 0.279 30.518 30.300 -0.102 0.000 1.013 896 R HN 0.453 nan 8.270 nan 0.000 0.454 897 Y N 4.409 124.837 120.300 0.215 0.000 2.331 897 Y HA 0.398 4.948 4.550 0.000 0.000 0.334 897 Y C -0.592 175.541 175.900 0.389 0.000 0.960 897 Y CA -0.715 57.524 58.100 0.232 0.000 1.130 897 Y CB 1.502 40.062 38.460 0.167 0.000 1.164 897 Y HN 0.526 nan 8.280 nan 0.000 0.458 898 W N 6.827 128.291 121.300 0.273 0.000 2.783 898 W HA 0.334 4.994 4.660 0.000 0.000 0.304 898 W C -2.279 174.342 176.519 0.170 0.000 1.056 898 W CA -0.848 56.660 57.345 0.272 0.000 1.175 898 W CB 1.081 30.644 29.460 0.172 0.000 1.029 898 W HN 0.492 nan 8.180 nan 0.000 0.331 899 L N 8.700 129.846 121.223 -0.128 0.000 2.278 899 L HA 0.260 4.600 4.340 -0.000 0.000 0.287 899 L C -1.267 175.324 176.870 -0.466 0.000 1.072 899 L CA -1.193 53.504 54.840 -0.239 0.000 0.819 899 L CB 0.912 42.813 42.059 -0.265 0.000 1.176 899 L HN 0.154 nan 8.230 nan 0.000 0.435 900 P HA 0.312 nan 4.420 nan 0.000 0.337 900 P C -0.404 176.836 177.300 -0.099 0.000 1.340 900 P CA -0.078 63.018 63.100 -0.006 0.000 0.764 900 P CB 1.156 32.953 31.700 0.161 0.000 1.718 901 I N 0.000 120.565 120.570 -0.008 0.000 2.984 901 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 901 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 901 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 901 I HN 0.000 nan 8.210 nan 0.000 0.494