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 3maq_1_A DATA FIRST_RESID -1 DATA SEQUENCE PHMAQAGFIL TRHWRDTPQG TEVSFWLATD NGPLQVTLAP QESVAFIPAD DATA SEQUENCE QVPRAQHILQ GEQGFRLTPL ALKDFHRQPV YGLYCRAHRQ LMNYEKRLRE DATA SEQUENCE GGVTVYEADV RPPERYLMER FITSPVWVEG DMHNGTIVNA RLKPHPDYRP DATA SEQUENCE PLKWVSIDIE TTRHGELYCI GLEGCGQRIV YMLGPENGDA SSLDFELEYV DATA SEQUENCE ASRPQLLEKL NAWFANYDPD VIIGWNVVQF DLRMLQKHAE RYRLPLRLGR DATA SEQUENCE DNSELEWREH GFKNGVFFAQ AKGRLIIDGI EALKSAFWNF SSFSLETVAQ DATA SEQUENCE ELLGEGXXXX XXXDRMDEID RRFAEDKPAL ATYNLKNCEL VTQIFHKTEI DATA SEQUENCE MPFLLERATV NGLPVDRHGG SVAAFGHLYF PRMHRAGYVA PNLGEVPPHA DATA SEQUENCE SPGGYVMDSR PGLYDSVLVL DYKSLYPSII RTFLIDPVGL VEGMAQPDPE DATA SEQUENCE HSTEGFLDAW FSREKHCLPE IVTNIWHGRD EAKRQGNKPL SQALKIIMNA DATA SEQUENCE FYGVLGTTAC RFFDPRLASS ITMRGHQIMR QTKALIEAQG YDVIYGDTDS DATA SEQUENCE TFVWLKGAHS EEEAAKIGRA LVQHVNAWWA ETLQKQRLTS ALELEYETHF DATA SEQUENCE CRFLMPTIRG ADTGSKKRYA GLIQEGDKQR MVFKGLETVR TDWTPLAQQF DATA SEQUENCE QQELYLRIFR NEPYQEYVRE TIDKLMAGEL DARLVYRKRL RRPLSEYQRN DATA SEQUENCE VPPHVRAARL ADEENQKRGR PLQYQNRGTI KYVWTTNGPE PLDYQRSPLD DATA SEQUENCE YEHYLTRQLQ PVAEGILPFI EDNFATLMTG QLXXF 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 -1 P HA 0.000 nan 4.420 nan 0.000 0.216 -1 P C 0.000 177.328 177.300 0.047 0.000 1.155 -1 P CA 0.000 63.128 63.100 0.047 0.000 0.800 -1 P CB 0.000 31.736 31.700 0.060 0.000 0.726 0 H N 0.766 119.844 119.070 0.013 0.000 3.216 0 H HA 0.211 4.002 4.556 -1.274 0.000 0.283 0 H C -0.713 174.626 175.328 0.018 0.000 0.921 0 H CA 1.002 57.059 56.048 0.014 0.000 1.419 0 H CB 0.171 29.937 29.762 0.008 0.000 1.460 0 H HN 0.088 nan 8.280 nan 0.000 0.553 1 M N 3.348 122.854 119.600 -0.156 0.000 2.501 1 M HA 0.507 4.223 4.480 -1.274 0.000 0.293 1 M C -1.570 174.704 176.300 -0.044 0.000 1.192 1 M CA -0.674 54.602 55.300 -0.041 0.000 0.886 1 M CB 1.933 34.511 32.600 -0.037 0.000 1.710 1 M HN 0.512 nan 8.290 nan 0.000 0.457 2 A N 3.247 126.093 122.820 0.043 0.000 2.355 2 A HA 0.887 4.443 4.320 -1.274 0.000 0.317 2 A C -1.252 176.413 177.584 0.136 0.000 1.094 2 A CA -0.406 51.680 52.037 0.082 0.000 0.764 2 A CB 1.499 20.537 19.000 0.064 0.000 1.230 2 A HN 0.779 nan 8.150 nan 0.000 0.448 3 Q N 0.167 120.099 119.800 0.221 0.000 2.522 3 Q HA 0.637 4.213 4.340 -1.274 0.000 0.285 3 Q C -1.245 174.850 176.000 0.158 0.000 0.982 3 Q CA -0.648 55.266 55.803 0.184 0.000 0.805 3 Q CB 2.270 31.044 28.738 0.060 0.000 1.457 3 Q HN 1.269 nan 8.270 nan 0.000 0.394 4 A N 0.464 123.207 122.820 -0.128 0.000 2.306 4 A HA 0.932 4.488 4.320 -1.274 0.000 0.314 4 A C -0.272 176.821 177.584 -0.819 0.000 1.164 4 A CA 0.406 52.054 52.037 -0.648 0.000 0.822 4 A CB 1.172 19.605 19.000 -0.944 0.000 1.130 4 A HN 0.701 nan 8.150 nan 0.000 0.496 5 G N -0.559 107.788 108.800 -0.755 0.000 2.649 5 G HA2 0.554 3.750 3.960 -1.274 0.000 0.290 5 G HA3 0.554 3.750 3.960 -1.274 0.000 0.290 5 G C -1.894 173.048 174.900 0.069 0.000 1.426 5 G CA -0.453 44.463 45.100 -0.306 0.000 0.794 5 G HN 0.737 nan 8.290 nan 0.000 0.483 6 F N 0.871 120.907 119.950 0.144 0.000 2.507 6 F HA 0.595 4.358 4.527 -1.274 0.000 0.328 6 F C 0.240 176.107 175.800 0.111 0.000 1.136 6 F CA -0.929 57.160 58.000 0.147 0.000 0.930 6 F CB 1.389 40.498 39.000 0.181 0.000 1.166 6 F HN 0.329 nan 8.300 nan 0.000 0.436 7 I N 7.477 127.948 120.570 -0.164 0.000 2.587 7 I HA -0.043 3.363 4.170 -1.274 0.000 0.284 7 I C 0.643 176.854 176.117 0.158 0.000 1.134 7 I CA 0.528 61.830 61.300 0.002 0.000 1.410 7 I CB 0.655 38.582 38.000 -0.122 0.000 1.392 7 I HN 0.756 nan 8.210 nan 0.000 0.545 8 L N 4.698 126.082 121.223 0.267 0.000 2.269 8 L HA 0.150 3.726 4.340 -1.274 0.000 0.200 8 L C 0.927 177.911 176.870 0.190 0.000 1.069 8 L CA 0.549 55.545 54.840 0.259 0.000 0.804 8 L CB -0.151 42.074 42.059 0.277 0.000 0.987 8 L HN 0.735 nan 8.230 nan 0.000 0.468 9 T N -1.402 113.301 114.554 0.249 0.000 2.903 9 T HA 0.641 4.227 4.350 -1.274 0.000 0.299 9 T C -0.621 174.133 174.700 0.090 0.000 1.093 9 T CA -0.837 61.335 62.100 0.120 0.000 1.002 9 T CB 2.635 71.572 68.868 0.116 0.000 1.127 9 T HN 0.009 nan 8.240 nan 0.000 0.488 10 R N 1.339 121.701 120.500 -0.229 0.000 2.670 10 R HA 0.692 4.268 4.340 -1.274 0.000 0.289 10 R C -0.586 175.308 176.300 -0.676 0.000 0.965 10 R CA -0.951 55.017 56.100 -0.220 0.000 0.899 10 R CB 1.413 31.771 30.300 0.096 0.000 1.173 10 R HN 0.690 nan 8.270 nan 0.000 0.456 11 H N 1.984 120.975 119.070 -0.131 0.000 2.961 11 H HA 0.424 4.216 4.556 -1.273 0.000 0.371 11 H C -0.970 174.333 175.328 -0.041 0.000 1.190 11 H CA -0.806 55.191 56.048 -0.085 0.000 1.138 11 H CB 2.590 32.315 29.762 -0.062 0.000 1.816 11 H HN 0.723 nan 8.280 nan 0.000 0.551 12 W N 0.987 122.273 121.300 -0.024 0.000 3.213 12 W HA 0.623 4.519 4.660 -1.272 0.000 0.318 12 W C -1.685 174.820 176.519 -0.023 0.000 1.248 12 W CA -1.009 56.293 57.345 -0.072 0.000 1.187 12 W CB 2.042 31.428 29.460 -0.123 0.000 1.403 12 W HN 0.787 nan 8.180 nan 0.000 0.556 13 R N 0.811 121.423 120.500 0.187 0.000 2.604 13 R HA 0.347 3.922 4.340 -1.274 0.000 0.261 13 R C -1.514 174.910 176.300 0.207 0.000 1.080 13 R CA -0.753 55.363 56.100 0.026 0.000 0.917 13 R CB 1.753 31.987 30.300 -0.110 0.000 1.252 13 R HN 0.131 nan 8.270 nan 0.000 0.456 14 D N 1.917 122.448 120.400 0.218 0.000 2.304 14 D HA 0.367 4.243 4.640 -1.274 0.000 0.247 14 D C -0.048 176.309 176.300 0.095 0.000 1.089 14 D CA 0.353 54.465 54.000 0.187 0.000 0.910 14 D CB 1.914 42.836 40.800 0.204 0.000 1.199 14 D HN 0.682 nan 8.370 nan 0.000 0.426 15 T N -2.059 112.543 114.554 0.080 0.000 2.841 15 T HA 0.432 4.017 4.350 -1.274 0.000 0.296 15 T C -2.338 172.393 174.700 0.050 0.000 1.166 15 T CA -1.573 60.558 62.100 0.052 0.000 1.007 15 T CB 1.694 70.586 68.868 0.041 0.000 1.253 15 T HN -0.133 nan 8.240 nan 0.000 0.511 16 P HA 0.005 nan 4.420 nan 0.000 0.220 16 P C 0.977 178.300 177.300 0.038 0.000 1.148 16 P CA 0.971 64.093 63.100 0.038 0.000 0.803 16 P CB 0.046 31.764 31.700 0.030 0.000 0.782 17 Q N -1.354 118.468 119.800 0.037 0.000 2.425 17 Q HA 0.373 3.949 4.340 -1.274 0.000 0.204 17 Q C 0.941 176.966 176.000 0.041 0.000 0.933 17 Q CA 0.502 56.326 55.803 0.035 0.000 0.939 17 Q CB 0.086 28.842 28.738 0.030 0.000 1.044 17 Q HN 0.151 nan 8.270 nan 0.000 0.513 18 G N -1.003 107.828 108.800 0.052 0.000 2.392 18 G HA2 -0.094 3.102 3.960 -1.274 0.000 0.677 18 G HA3 -0.094 3.102 3.960 -1.274 0.000 0.677 18 G C -0.809 174.136 174.900 0.075 0.000 1.334 18 G CA -0.896 44.240 45.100 0.061 0.000 0.961 18 G HN -0.108 nan 8.290 nan 0.000 0.616 19 T N 1.324 115.932 114.554 0.089 0.000 2.853 19 T HA 0.394 3.980 4.350 -1.274 0.000 0.298 19 T C 0.362 175.117 174.700 0.091 0.000 0.978 19 T CA 0.448 62.622 62.100 0.123 0.000 1.152 19 T CB 1.081 70.021 68.868 0.121 0.000 0.914 19 T HN 0.504 nan 8.240 nan 0.000 0.539 20 E N 2.617 122.881 120.200 0.107 0.000 2.134 20 E HA 0.425 4.011 4.350 -1.274 0.000 0.278 20 E C -1.033 175.596 176.600 0.048 0.000 0.959 20 E CA -0.532 55.900 56.400 0.053 0.000 0.783 20 E CB 0.991 30.713 29.700 0.036 0.000 1.095 20 E HN 0.312 nan 8.360 nan 0.000 0.399 21 V N 3.368 123.257 119.914 -0.043 0.000 2.459 21 V HA 0.428 3.784 4.120 -1.274 0.000 0.295 21 V C -0.183 175.739 176.094 -0.286 0.000 1.029 21 V CA -0.520 61.684 62.300 -0.159 0.000 0.874 21 V CB 1.595 33.288 31.823 -0.217 0.000 0.985 21 V HN 0.760 nan 8.190 nan 0.000 0.438 22 S N 3.670 119.118 115.700 -0.419 0.000 2.588 22 S HA 0.903 4.609 4.470 -1.274 0.000 0.275 22 S C -1.321 172.945 174.600 -0.557 0.000 1.130 22 S CA -0.682 57.303 58.200 -0.358 0.000 0.855 22 S CB 2.090 65.214 63.200 -0.127 0.000 1.116 22 S HN 0.311 nan 8.310 nan 0.000 0.472 23 F N -0.614 119.372 119.950 0.061 0.000 2.599 23 F HA 0.653 4.416 4.527 -1.274 0.000 0.311 23 F C -1.306 174.523 175.800 0.049 0.000 1.076 23 F CA -0.753 57.327 58.000 0.135 0.000 0.937 23 F CB 1.527 40.565 39.000 0.064 0.000 1.282 23 F HN 0.645 nan 8.300 nan 0.000 0.460 24 W N 3.657 125.159 121.300 0.337 0.000 2.417 24 W HA 0.756 4.652 4.660 -1.274 0.000 0.315 24 W C -1.226 175.415 176.519 0.203 0.000 1.045 24 W CA -0.441 57.042 57.345 0.230 0.000 1.221 24 W CB 1.401 30.989 29.460 0.215 0.000 1.309 24 W HN 0.155 nan 8.180 nan 0.000 0.453 25 L N 3.540 124.944 121.223 0.303 0.000 2.334 25 L HA 0.832 4.408 4.340 -1.274 0.000 0.273 25 L C 0.258 177.290 176.870 0.270 0.000 1.013 25 L CA -1.391 53.595 54.840 0.245 0.000 0.816 25 L CB 1.430 43.563 42.059 0.124 0.000 1.278 25 L HN 0.432 nan 8.230 nan 0.000 0.431 26 A N 1.396 124.393 122.820 0.295 0.000 2.260 26 A HA 0.686 4.242 4.320 -1.274 0.000 0.314 26 A C 0.013 177.764 177.584 0.278 0.000 1.257 26 A CA -0.330 51.873 52.037 0.276 0.000 0.871 26 A CB 0.758 19.923 19.000 0.275 0.000 1.166 26 A HN 0.769 nan 8.150 nan 0.000 0.522 27 T N -1.272 113.408 114.554 0.209 0.000 2.883 27 T HA 0.437 4.023 4.350 -1.274 0.000 0.284 27 T C 0.102 174.921 174.700 0.198 0.000 1.041 27 T CA -0.404 61.807 62.100 0.184 0.000 1.007 27 T CB 1.117 70.022 68.868 0.063 0.000 1.220 27 T HN 0.280 nan 8.240 nan 0.000 0.552 28 D N 0.399 120.917 120.400 0.196 0.000 2.263 28 D HA -0.030 3.846 4.640 -1.274 0.000 0.208 28 D C 0.987 177.348 176.300 0.102 0.000 0.971 28 D CA 0.952 55.046 54.000 0.157 0.000 0.867 28 D CB -0.064 40.828 40.800 0.153 0.000 0.929 28 D HN 0.493 nan 8.370 nan 0.000 0.492 29 N N 0.039 118.793 118.700 0.089 0.000 2.273 29 N HA 0.273 4.248 4.740 -1.274 0.000 0.231 29 N C 0.805 176.360 175.510 0.076 0.000 1.134 29 N CA 0.371 53.463 53.050 0.070 0.000 0.856 29 N CB 1.540 40.061 38.487 0.057 0.000 1.068 29 N HN 0.118 nan 8.380 nan 0.000 0.510 30 G N 2.003 110.860 108.800 0.096 0.000 2.631 30 G HA2 -0.176 3.020 3.960 -1.274 0.000 0.504 30 G HA3 -0.176 3.020 3.960 -1.274 0.000 0.504 30 G C -3.030 171.954 174.900 0.141 0.000 1.306 30 G CA -1.072 44.093 45.100 0.109 0.000 0.897 30 G HN 0.009 nan 8.290 nan 0.000 0.520 31 P HA 0.425 nan 4.420 nan 0.000 0.266 31 P C -0.629 176.795 177.300 0.206 0.000 1.195 31 P CA 0.184 63.444 63.100 0.267 0.000 0.768 31 P CB 1.386 33.306 31.700 0.367 0.000 0.838 32 L N 2.491 123.808 121.223 0.157 0.000 2.406 32 L HA 0.364 3.940 4.340 -1.274 0.000 0.272 32 L C -0.261 176.441 176.870 -0.280 0.000 0.980 32 L CA -0.560 54.261 54.840 -0.032 0.000 0.831 32 L CB 1.863 43.917 42.059 -0.007 0.000 1.253 32 L HN 0.348 nan 8.230 nan 0.000 0.406 33 Q N 3.204 122.622 119.800 -0.637 0.000 2.261 33 Q HA 0.641 4.217 4.340 -1.274 0.000 0.252 33 Q C -1.624 174.096 176.000 -0.468 0.000 0.915 33 Q CA -0.517 54.650 55.803 -1.061 0.000 0.915 33 Q CB 1.528 29.405 28.738 -1.435 0.000 1.204 33 Q HN 0.609 nan 8.270 nan 0.000 0.421 34 V N 3.327 123.040 119.914 -0.336 0.000 2.531 34 V HA 0.411 3.767 4.120 -1.274 0.000 0.301 34 V C -0.687 175.363 176.094 -0.075 0.000 1.034 34 V CA -0.612 61.619 62.300 -0.115 0.000 0.865 34 V CB 2.195 34.031 31.823 0.022 0.000 0.995 34 V HN 0.845 nan 8.190 nan 0.000 0.424 35 T N 6.060 120.575 114.554 -0.065 0.000 2.824 35 T HA 0.664 4.250 4.350 -1.274 0.000 0.282 35 T C -0.227 174.449 174.700 -0.040 0.000 0.993 35 T CA -0.395 61.667 62.100 -0.063 0.000 0.967 35 T CB 1.323 70.153 68.868 -0.063 0.000 0.960 35 T HN 0.329 nan 8.240 nan 0.000 0.441 36 L N 1.714 122.895 121.223 -0.070 0.000 2.454 36 L HA 0.733 4.309 4.340 -1.274 0.000 0.256 36 L C 1.014 177.860 176.870 -0.041 0.000 1.136 36 L CA -1.183 53.609 54.840 -0.080 0.000 0.804 36 L CB 0.407 42.346 42.059 -0.200 0.000 1.181 36 L HN 0.683 nan 8.230 nan 0.000 0.469 37 A N 1.003 123.813 122.820 -0.017 0.000 2.313 37 A HA 0.503 4.059 4.320 -1.274 0.000 0.261 37 A C -2.281 175.307 177.584 0.006 0.000 1.090 37 A CA -1.299 50.742 52.037 0.007 0.000 0.807 37 A CB -0.555 18.461 19.000 0.027 0.000 1.055 37 A HN 0.449 nan 8.150 nan 0.000 0.492 38 P HA 0.058 nan 4.420 nan 0.000 0.264 38 P C -0.979 176.345 177.300 0.041 0.000 1.183 38 P CA 0.453 63.571 63.100 0.030 0.000 0.763 38 P CB 0.338 32.060 31.700 0.037 0.000 0.807 39 Q N 1.839 121.665 119.800 0.044 0.000 2.333 39 Q HA 0.319 3.895 4.340 -1.274 0.000 0.267 39 Q C 0.053 176.098 176.000 0.075 0.000 1.012 39 Q CA -0.579 55.263 55.803 0.065 0.000 0.824 39 Q CB 2.175 30.946 28.738 0.055 0.000 1.290 39 Q HN 0.473 nan 8.270 nan 0.000 0.449 40 E N 0.718 120.981 120.200 0.105 0.000 2.373 40 E HA 0.292 3.878 4.350 -1.274 0.000 0.263 40 E C -0.547 176.125 176.600 0.121 0.000 1.073 40 E CA -0.105 56.374 56.400 0.133 0.000 0.894 40 E CB 1.014 30.834 29.700 0.198 0.000 1.008 40 E HN 0.353 nan 8.360 nan 0.000 0.420 41 S N 0.974 116.733 115.700 0.099 0.000 2.489 41 S HA 0.384 4.090 4.470 -1.274 0.000 0.291 41 S C -0.879 173.693 174.600 -0.045 0.000 1.151 41 S CA -0.671 57.559 58.200 0.050 0.000 1.082 41 S CB 1.598 64.853 63.200 0.091 0.000 1.019 41 S HN 0.280 nan 8.310 nan 0.000 0.492 42 V N 2.219 122.040 119.914 -0.155 0.000 2.735 42 V HA 0.939 4.295 4.120 -1.274 0.000 0.310 42 V C -0.623 175.137 176.094 -0.556 0.000 1.061 42 V CA -0.403 61.625 62.300 -0.453 0.000 0.913 42 V CB 1.630 33.092 31.823 -0.603 0.000 1.005 42 V HN 1.046 nan 8.190 nan 0.000 0.428 43 A N 4.972 127.363 122.820 -0.716 0.000 2.527 43 A HA 0.975 4.531 4.320 -1.274 0.000 0.293 43 A C -1.729 175.362 177.584 -0.823 0.000 1.117 43 A CA -0.531 51.130 52.037 -0.625 0.000 0.723 43 A CB 1.681 20.534 19.000 -0.246 0.000 1.313 43 A HN 0.725 nan 8.150 nan 0.000 0.411 44 F N -0.190 119.824 119.950 0.107 0.000 2.532 44 F HA 0.740 4.504 4.527 -1.271 0.000 0.321 44 F C -0.048 175.860 175.800 0.181 0.000 1.089 44 F CA -0.639 57.468 58.000 0.179 0.000 0.926 44 F CB 1.929 41.095 39.000 0.277 0.000 1.168 44 F HN 0.327 nan 8.300 nan 0.000 0.459 45 I N 3.237 124.027 120.570 0.368 0.000 2.582 45 I HA 0.372 3.778 4.170 -1.274 0.000 0.292 45 I C -2.657 173.604 176.117 0.240 0.000 1.066 45 I CA -2.430 58.984 61.300 0.189 0.000 1.053 45 I CB 2.732 40.783 38.000 0.086 0.000 1.241 45 I HN 0.243 nan 8.210 nan 0.000 0.421 46 P HA 0.066 nan 4.420 nan 0.000 0.268 46 P C 0.438 177.769 177.300 0.053 0.000 1.204 46 P CA 0.010 63.216 63.100 0.176 0.000 0.768 46 P CB 0.985 32.765 31.700 0.134 0.000 0.842 47 A N 4.262 127.126 122.820 0.074 0.000 1.948 47 A HA -0.236 3.320 4.320 -1.274 0.000 0.220 47 A C 1.642 179.131 177.584 -0.158 0.000 1.177 47 A CA 2.186 54.160 52.037 -0.105 0.000 0.636 47 A CB -1.240 17.827 19.000 0.112 0.000 0.815 47 A HN 0.641 nan 8.150 nan 0.000 0.449 48 D N -0.795 119.570 120.400 -0.059 0.000 2.371 48 D HA -0.116 3.759 4.640 -1.274 0.000 0.221 48 D C 1.366 177.609 176.300 -0.096 0.000 0.986 48 D CA 0.926 54.886 54.000 -0.066 0.000 0.899 48 D CB -0.441 40.344 40.800 -0.026 0.000 0.902 48 D HN 0.639 nan 8.370 nan 0.000 0.530 49 Q N -0.188 119.546 119.800 -0.111 0.000 2.247 49 Q HA 0.167 3.743 4.340 -1.274 0.000 0.211 49 Q C 1.824 177.726 176.000 -0.163 0.000 0.861 49 Q CA -0.179 55.551 55.803 -0.121 0.000 0.949 49 Q CB 1.166 29.848 28.738 -0.092 0.000 1.115 49 Q HN 0.106 nan 8.270 nan 0.000 0.507 50 V N 1.497 121.273 119.914 -0.230 0.000 2.343 50 V HA -0.174 3.182 4.120 -1.274 0.000 0.247 50 V C -0.857 175.115 176.094 -0.203 0.000 1.051 50 V CA 1.851 63.993 62.300 -0.263 0.000 1.036 50 V CB -1.157 30.361 31.823 -0.508 0.000 0.654 50 V HN 0.233 nan 8.190 nan 0.000 0.451 51 P HA -0.170 nan 4.420 nan 0.000 0.215 51 P C 1.785 178.798 177.300 -0.477 0.000 1.153 51 P CA 1.444 64.384 63.100 -0.266 0.000 0.853 51 P CB -0.049 31.524 31.700 -0.213 0.000 0.788 52 R N -0.414 119.867 120.500 -0.366 0.000 2.092 52 R HA -0.020 3.555 4.340 -1.274 0.000 0.231 52 R C 2.102 178.267 176.300 -0.225 0.000 1.119 52 R CA 1.364 57.258 56.100 -0.342 0.000 0.970 52 R CB -0.807 29.376 30.300 -0.194 0.000 0.864 52 R HN 0.043 nan 8.270 nan 0.000 0.440 53 A N 0.505 123.222 122.820 -0.170 0.000 1.933 53 A HA -0.200 3.355 4.320 -1.274 0.000 0.218 53 A C 1.965 179.502 177.584 -0.079 0.000 1.175 53 A CA 1.346 53.313 52.037 -0.116 0.000 0.628 53 A CB -0.374 18.576 19.000 -0.084 0.000 0.814 53 A HN 0.473 nan 8.150 nan 0.000 0.444 54 Q N -1.053 118.718 119.800 -0.048 0.000 2.119 54 Q HA -0.176 3.400 4.340 -1.274 0.000 0.201 54 Q C 1.856 177.952 176.000 0.159 0.000 0.972 54 Q CA 1.609 57.459 55.803 0.078 0.000 0.847 54 Q CB -0.344 28.457 28.738 0.105 0.000 0.903 54 Q HN 0.891 nan 8.270 nan 0.000 0.433 55 H N 0.006 119.058 119.070 -0.031 0.000 2.389 55 H HA -0.045 3.747 4.556 -1.273 0.000 0.299 55 H C 2.069 177.361 175.328 -0.061 0.000 1.081 55 H CA 0.437 56.464 56.048 -0.036 0.000 1.345 55 H CB 0.251 29.993 29.762 -0.032 0.000 1.393 55 H HN 0.170 nan 8.280 nan 0.000 0.520 56 I N 1.064 121.652 120.570 0.031 0.000 2.286 56 I HA -0.208 3.198 4.170 -1.274 0.000 0.248 56 I C 1.709 177.743 176.117 -0.138 0.000 1.115 56 I CA 1.330 62.594 61.300 -0.060 0.000 1.392 56 I CB -0.321 37.615 38.000 -0.107 0.000 1.065 56 I HN 0.317 nan 8.210 nan 0.000 0.418 57 L N 0.392 121.505 121.223 -0.184 0.000 2.629 57 L HA 0.070 3.645 4.340 -1.274 0.000 0.230 57 L C 0.784 177.593 176.870 -0.102 0.000 1.151 57 L CA -0.243 54.405 54.840 -0.319 0.000 0.924 57 L CB -0.391 41.294 42.059 -0.624 0.000 1.137 57 L HN 0.186 nan 8.230 nan 0.000 0.457 58 Q N 1.349 121.141 119.800 -0.014 0.000 2.263 58 Q HA 0.202 3.778 4.340 -1.274 0.000 0.289 58 Q C 1.119 177.129 176.000 0.018 0.000 1.061 58 Q CA 1.315 57.137 55.803 0.032 0.000 0.927 58 Q CB 0.546 29.292 28.738 0.014 0.000 1.154 58 Q HN 0.396 nan 8.270 nan 0.000 0.378 59 G N 3.001 111.833 108.800 0.053 0.000 2.175 59 G HA2 -0.182 3.014 3.960 -1.274 0.000 0.244 59 G HA3 -0.182 3.014 3.960 -1.274 0.000 0.244 59 G C -0.279 174.668 174.900 0.078 0.000 0.982 59 G CA 0.100 45.231 45.100 0.051 0.000 0.641 59 G HN 0.579 nan 8.290 nan 0.000 0.527 60 E N 0.391 120.655 120.200 0.107 0.000 2.248 60 E HA 0.638 4.224 4.350 -1.274 0.000 0.272 60 E C 0.230 177.042 176.600 0.353 0.000 1.008 60 E CA -0.171 56.327 56.400 0.163 0.000 0.856 60 E CB 1.368 31.035 29.700 -0.056 0.000 1.120 60 E HN 0.565 nan 8.360 nan 0.000 0.397 61 Q N -1.065 118.939 119.800 0.340 0.000 2.458 61 Q HA 0.561 4.137 4.340 -1.274 0.000 0.282 61 Q C 0.041 176.256 176.000 0.359 0.000 1.106 61 Q CA -0.489 55.492 55.803 0.297 0.000 0.814 61 Q CB 2.237 31.070 28.738 0.160 0.000 1.425 61 Q HN 0.752 nan 8.270 nan 0.000 0.437 62 G N 0.859 109.805 108.800 0.242 0.000 2.149 62 G HA2 -0.234 2.962 3.960 -1.274 0.000 0.235 62 G HA3 -0.234 2.962 3.960 -1.274 0.000 0.235 62 G C -0.541 174.558 174.900 0.332 0.000 1.018 62 G CA 0.580 45.814 45.100 0.222 0.000 0.728 62 G HN 0.548 nan 8.290 nan 0.000 0.508 63 F N -1.321 118.716 119.950 0.145 0.000 2.662 63 F HA 0.918 4.681 4.527 -1.274 0.000 0.312 63 F C -0.527 175.365 175.800 0.153 0.000 1.113 63 F CA -1.485 56.623 58.000 0.181 0.000 0.951 63 F CB 1.151 40.324 39.000 0.289 0.000 1.344 63 F HN 0.384 nan 8.300 nan 0.000 0.462 64 R N 2.016 122.552 120.500 0.061 0.000 2.707 64 R HA 0.759 4.335 4.340 -1.274 0.000 0.272 64 R C -2.421 174.032 176.300 0.255 0.000 1.011 64 R CA -1.096 54.963 56.100 -0.068 0.000 0.893 64 R CB 2.189 32.476 30.300 -0.022 0.000 1.233 64 R HN 0.886 nan 8.270 nan 0.000 0.464 65 L N 1.960 123.308 121.223 0.208 0.000 2.319 65 L HA 0.490 4.066 4.340 -1.274 0.000 0.281 65 L C -0.888 176.167 176.870 0.309 0.000 1.005 65 L CA -0.487 54.565 54.840 0.353 0.000 0.828 65 L CB 2.358 44.641 42.059 0.374 0.000 1.227 65 L HN 0.789 nan 8.230 nan 0.000 0.415 66 T N 3.726 118.446 114.554 0.278 0.000 2.848 66 T HA 0.402 3.987 4.350 -1.274 0.000 0.285 66 T C -2.648 171.891 174.700 -0.269 0.000 0.995 66 T CA -1.479 60.648 62.100 0.044 0.000 0.970 66 T CB 2.049 70.992 68.868 0.124 0.000 0.976 66 T HN 0.202 nan 8.240 nan 0.000 0.441 67 P HA 0.338 nan 4.420 nan 0.000 0.267 67 P C -0.911 176.216 177.300 -0.289 0.000 1.205 67 P CA -0.181 62.399 63.100 -0.866 0.000 0.765 67 P CB 0.428 31.747 31.700 -0.636 0.000 0.828 68 L N 1.735 122.860 121.223 -0.163 0.000 2.354 68 L HA 0.661 4.236 4.340 -1.274 0.000 0.264 68 L C 0.470 177.305 176.870 -0.058 0.000 1.008 68 L CA -1.324 53.490 54.840 -0.044 0.000 0.819 68 L CB 2.052 44.140 42.059 0.048 0.000 1.339 68 L HN 0.203 nan 8.230 nan 0.000 0.420 69 A N 3.524 126.308 122.820 -0.059 0.000 3.063 69 A HA 0.618 4.173 4.320 -1.274 0.000 0.263 69 A C -0.387 177.126 177.584 -0.118 0.000 1.736 69 A CA 0.117 52.107 52.037 -0.077 0.000 1.408 69 A CB -0.820 18.140 19.000 -0.068 0.000 1.108 69 A HN 0.521 nan 8.150 nan 0.000 0.621 70 L N -0.401 120.743 121.223 -0.132 0.000 2.409 70 L HA 0.627 4.203 4.340 -1.274 0.000 0.255 70 L C -0.166 176.588 176.870 -0.194 0.000 1.027 70 L CA -0.775 53.939 54.840 -0.211 0.000 0.834 70 L CB 2.497 44.407 42.059 -0.248 0.000 1.426 70 L HN 0.326 nan 8.230 nan 0.000 0.411 71 K N -0.239 119.988 120.400 -0.287 0.000 2.480 71 K HA 0.435 3.990 4.320 -1.274 0.000 0.258 71 K C -1.656 174.956 176.600 0.021 0.000 0.990 71 K CA -0.897 55.300 56.287 -0.151 0.000 0.857 71 K CB 2.103 34.445 32.500 -0.262 0.000 1.384 71 K HN 0.641 nan 8.250 nan 0.000 0.446 72 D N -0.526 119.968 120.400 0.157 0.000 2.529 72 D HA 0.115 3.991 4.640 -1.274 0.000 0.273 72 D C 0.564 177.116 176.300 0.420 0.000 1.197 72 D CA -0.438 53.671 54.000 0.182 0.000 1.070 72 D CB 0.181 41.012 40.800 0.051 0.000 1.134 72 D HN 0.263 nan 8.370 nan 0.000 0.590 73 F N -1.111 118.847 119.950 0.014 0.000 2.641 73 F HA 0.002 3.765 4.527 -1.273 0.000 0.298 73 F C 1.518 177.236 175.800 -0.136 0.000 1.146 73 F CA 0.690 58.635 58.000 -0.091 0.000 1.464 73 F CB -0.596 38.305 39.000 -0.166 0.000 1.101 73 F HN 0.416 nan 8.300 nan 0.000 0.585 74 H N -0.831 118.370 119.070 0.217 0.000 2.529 74 H HA 0.267 4.066 4.556 -1.262 0.000 0.277 74 H C 0.581 175.985 175.328 0.126 0.000 1.004 74 H CA -0.020 56.117 56.048 0.149 0.000 1.167 74 H CB 0.101 29.955 29.762 0.153 0.000 1.445 74 H HN -0.031 nan 8.280 nan 0.000 0.554 75 R N -0.325 120.321 120.500 0.243 0.000 3.878 75 R HA -0.206 3.370 4.340 -1.274 0.000 0.330 75 R C -0.167 176.217 176.300 0.140 0.000 1.186 75 R CA 0.428 56.645 56.100 0.196 0.000 0.885 75 R CB -1.699 28.681 30.300 0.134 0.000 1.377 75 R HN 0.276 nan 8.270 nan 0.000 0.523 76 Q N 1.408 121.313 119.800 0.176 0.000 2.274 76 Q HA 0.329 3.905 4.340 -1.274 0.000 0.256 76 Q C -2.457 173.621 176.000 0.130 0.000 0.927 76 Q CA -2.401 53.488 55.803 0.144 0.000 0.939 76 Q CB 1.166 30.005 28.738 0.168 0.000 1.201 76 Q HN -0.133 nan 8.270 nan 0.000 0.426 77 P HA -0.026 nan 4.420 nan 0.000 0.266 77 P C -1.135 176.279 177.300 0.190 0.000 1.195 77 P CA -0.037 63.127 63.100 0.107 0.000 0.768 77 P CB 0.617 32.383 31.700 0.109 0.000 0.838 78 V N 1.129 121.160 119.914 0.194 0.000 2.919 78 V HA 0.565 3.921 4.120 -1.274 0.000 0.316 78 V C -0.989 175.353 176.094 0.413 0.000 1.077 78 V CA -1.020 61.468 62.300 0.313 0.000 0.977 78 V CB 1.596 33.589 31.823 0.283 0.000 1.039 78 V HN 0.372 nan 8.190 nan 0.000 0.441 79 Y N 0.172 120.597 120.300 0.209 0.000 2.487 79 Y HA 0.750 4.535 4.550 -1.275 0.000 0.337 79 Y C 0.911 176.978 175.900 0.277 0.000 1.076 79 Y CA -0.489 57.735 58.100 0.207 0.000 1.115 79 Y CB 2.480 41.032 38.460 0.154 0.000 1.235 79 Y HN 0.989 nan 8.280 nan 0.000 0.468 80 G N 2.229 111.236 108.800 0.345 0.000 2.343 80 G HA2 0.468 3.664 3.960 -1.274 0.000 0.319 80 G HA3 0.468 3.664 3.960 -1.274 0.000 0.319 80 G C -1.935 172.977 174.900 0.020 0.000 1.126 80 G CA -0.498 44.660 45.100 0.096 0.000 0.889 80 G HN 0.446 nan 8.290 nan 0.000 0.457 81 L N 2.836 123.944 121.223 -0.192 0.000 2.276 81 L HA 0.592 4.168 4.340 -1.274 0.000 0.286 81 L C -1.337 175.444 176.870 -0.148 0.000 1.024 81 L CA -1.081 53.769 54.840 0.016 0.000 0.826 81 L CB 0.222 42.306 42.059 0.040 0.000 1.211 81 L HN 0.484 nan 8.230 nan 0.000 0.422 82 Y N 3.761 124.142 120.300 0.136 0.000 2.341 82 Y HA 0.593 4.380 4.550 -1.273 0.000 0.337 82 Y C 0.159 176.148 175.900 0.149 0.000 1.014 82 Y CA -0.474 57.680 58.100 0.090 0.000 1.111 82 Y CB 1.491 39.991 38.460 0.066 0.000 1.194 82 Y HN 0.509 nan 8.280 nan 0.000 0.462 83 C N 3.165 122.594 119.300 0.215 0.000 2.563 83 C HA 0.398 4.093 4.460 -1.274 0.000 0.314 83 C C 1.272 176.330 174.990 0.113 0.000 1.199 83 C CA -1.167 57.943 59.018 0.152 0.000 1.564 83 C CB 1.925 29.656 27.740 -0.015 0.000 2.173 83 C HN 0.871 nan 8.230 nan 0.000 0.485 84 R N 1.021 121.584 120.500 0.105 0.000 2.236 84 R HA 0.145 3.720 4.340 -1.274 0.000 0.208 84 R C 0.533 176.874 176.300 0.068 0.000 1.036 84 R CA 0.432 56.583 56.100 0.085 0.000 1.001 84 R CB -0.383 29.966 30.300 0.082 0.000 0.896 84 R HN 0.802 nan 8.270 nan 0.000 0.464 85 A N -0.625 122.217 122.820 0.037 0.000 2.386 85 A HA 0.376 3.931 4.320 -1.274 0.000 0.311 85 A C 0.104 177.691 177.584 0.005 0.000 1.068 85 A CA -0.616 51.449 52.037 0.046 0.000 0.743 85 A CB 1.274 20.291 19.000 0.028 0.000 1.258 85 A HN 0.180 nan 8.150 nan 0.000 0.429 86 H N 0.961 120.002 119.070 -0.049 0.000 2.395 86 H HA -0.011 3.780 4.556 -1.274 0.000 0.299 86 H C 1.901 177.165 175.328 -0.106 0.000 1.070 86 H CA 1.958 57.902 56.048 -0.173 0.000 1.356 86 H CB 0.233 29.712 29.762 -0.472 0.000 1.401 86 H HN 0.641 nan 8.280 nan 0.000 0.524 87 R N 0.595 121.100 120.500 0.008 0.000 2.096 87 R HA -0.111 3.465 4.340 -1.274 0.000 0.235 87 R C 2.428 178.621 176.300 -0.178 0.000 1.127 87 R CA 1.604 57.689 56.100 -0.024 0.000 0.968 87 R CB -0.475 29.877 30.300 0.087 0.000 0.861 87 R HN 0.596 nan 8.270 nan 0.000 0.440 88 Q N -0.334 119.327 119.800 -0.232 0.000 2.079 88 Q HA -0.155 3.420 4.340 -1.274 0.000 0.200 88 Q C 1.810 177.373 176.000 -0.729 0.000 0.974 88 Q CA 1.534 57.065 55.803 -0.454 0.000 0.840 88 Q CB -0.165 28.343 28.738 -0.383 0.000 0.898 88 Q HN 0.324 nan 8.270 nan 0.000 0.430 89 L N 0.383 121.291 121.223 -0.526 0.000 2.093 89 L HA -0.094 3.482 4.340 -1.274 0.000 0.208 89 L C 2.237 178.896 176.870 -0.353 0.000 1.085 89 L CA 1.580 56.153 54.840 -0.445 0.000 0.755 89 L CB -0.245 41.601 42.059 -0.356 0.000 0.904 89 L HN 0.294 nan 8.230 nan 0.000 0.435 90 M N -0.667 118.702 119.600 -0.385 0.000 2.159 90 M HA -0.181 3.535 4.480 -1.274 0.000 0.263 90 M C 1.815 178.037 176.300 -0.131 0.000 1.063 90 M CA 1.425 56.581 55.300 -0.240 0.000 1.110 90 M CB -0.492 31.985 32.600 -0.205 0.000 1.374 90 M HN 0.301 nan 8.290 nan 0.000 0.411 91 N N -0.345 118.267 118.700 -0.147 0.000 2.142 91 N HA -0.126 3.849 4.740 -1.274 0.000 0.186 91 N C 1.551 177.108 175.510 0.078 0.000 1.023 91 N CA 1.318 54.344 53.050 -0.041 0.000 0.852 91 N CB -0.433 38.030 38.487 -0.039 0.000 0.998 91 N HN 0.332 nan 8.380 nan 0.000 0.424 92 Y N 1.738 121.963 120.300 -0.125 0.000 2.224 92 Y HA -0.046 3.739 4.550 -1.274 0.000 0.289 92 Y C 2.448 178.271 175.900 -0.128 0.000 1.146 92 Y CA 0.437 58.448 58.100 -0.149 0.000 1.182 92 Y CB -0.845 37.492 38.460 -0.206 0.000 0.983 92 Y HN 0.176 nan 8.280 nan 0.000 0.524 93 E N 1.142 121.373 120.200 0.052 0.000 2.085 93 E HA -0.226 3.360 4.350 -1.274 0.000 0.194 93 E C 2.140 178.731 176.600 -0.015 0.000 0.994 93 E CA 1.243 57.637 56.400 -0.011 0.000 0.801 93 E CB -0.097 29.576 29.700 -0.045 0.000 0.743 93 E HN 0.399 nan 8.360 nan 0.000 0.453 94 K N 0.269 120.666 120.400 -0.005 0.000 2.057 94 K HA -0.113 3.443 4.320 -1.274 0.000 0.206 94 K C 2.395 178.989 176.600 -0.009 0.000 1.050 94 K CA 0.993 57.277 56.287 -0.006 0.000 0.935 94 K CB 0.016 32.517 32.500 0.002 0.000 0.715 94 K HN 0.023 nan 8.250 nan 0.000 0.439 95 R N 0.254 120.753 120.500 -0.001 0.000 2.092 95 R HA -0.037 3.539 4.340 -1.274 0.000 0.231 95 R C 2.389 178.660 176.300 -0.048 0.000 1.119 95 R CA 1.029 57.116 56.100 -0.021 0.000 0.970 95 R CB -0.164 30.122 30.300 -0.024 0.000 0.864 95 R HN 0.172 nan 8.270 nan 0.000 0.440 96 L N -0.158 121.031 121.223 -0.056 0.000 2.109 96 L HA -0.076 3.500 4.340 -1.274 0.000 0.207 96 L C 2.713 179.542 176.870 -0.068 0.000 1.086 96 L CA 1.055 55.849 54.840 -0.076 0.000 0.760 96 L CB -0.269 41.739 42.059 -0.085 0.000 0.910 96 L HN 0.131 nan 8.230 nan 0.000 0.437 97 R N 0.421 120.887 120.500 -0.056 0.000 2.075 97 R HA -0.158 3.418 4.340 -1.274 0.000 0.232 97 R C 2.083 178.356 176.300 -0.045 0.000 1.126 97 R CA 1.393 57.459 56.100 -0.056 0.000 0.963 97 R CB -0.019 30.253 30.300 -0.046 0.000 0.858 97 R HN 0.337 nan 8.270 nan 0.000 0.435 98 E N -0.970 119.209 120.200 -0.035 0.000 2.204 98 E HA -0.105 3.481 4.350 -1.274 0.000 0.195 98 E C 1.280 177.861 176.600 -0.031 0.000 0.990 98 E CA 1.012 57.396 56.400 -0.028 0.000 0.821 98 E CB -0.000 29.688 29.700 -0.020 0.000 0.750 98 E HN 0.528 nan 8.360 nan 0.000 0.477 99 G N -0.489 108.288 108.800 -0.039 0.000 3.262 99 G HA2 0.202 3.398 3.960 -1.274 0.000 0.228 99 G HA3 0.202 3.398 3.960 -1.274 0.000 0.228 99 G C 0.893 175.765 174.900 -0.046 0.000 1.197 99 G CA 0.148 45.224 45.100 -0.040 0.000 0.819 99 G HN 0.345 nan 8.290 nan 0.000 0.531 100 G N -1.216 107.555 108.800 -0.048 0.000 2.143 100 G HA2 -0.233 2.962 3.960 -1.274 0.000 0.248 100 G HA3 -0.233 2.962 3.960 -1.274 0.000 0.248 100 G C 0.106 174.964 174.900 -0.070 0.000 0.991 100 G CA 0.234 45.302 45.100 -0.053 0.000 0.689 100 G HN 0.737 nan 8.290 nan 0.000 0.522 101 V N 1.066 120.931 119.914 -0.082 0.000 2.435 101 V HA 0.575 3.931 4.120 -1.274 0.000 0.290 101 V C 0.775 176.792 176.094 -0.129 0.000 1.030 101 V CA -0.228 62.011 62.300 -0.102 0.000 0.881 101 V CB 1.769 33.530 31.823 -0.103 0.000 0.983 101 V HN 0.285 nan 8.190 nan 0.000 0.445 102 T N 4.740 119.195 114.554 -0.166 0.000 2.814 102 T HA 0.456 4.042 4.350 -1.274 0.000 0.297 102 T C -0.209 174.265 174.700 -0.377 0.000 0.956 102 T CA -0.109 61.822 62.100 -0.281 0.000 1.123 102 T CB 0.873 69.546 68.868 -0.325 0.000 0.902 102 T HN 0.397 nan 8.240 nan 0.000 0.528 103 V N 4.486 124.170 119.914 -0.384 0.000 2.531 103 V HA 0.429 3.784 4.120 -1.274 0.000 0.301 103 V C -1.142 174.786 176.094 -0.277 0.000 1.034 103 V CA -1.057 61.072 62.300 -0.286 0.000 0.865 103 V CB 1.198 32.946 31.823 -0.125 0.000 0.995 103 V HN 0.756 nan 8.190 nan 0.000 0.424 104 Y N 1.490 121.868 120.300 0.131 0.000 2.420 104 Y HA 0.448 4.236 4.550 -1.270 0.000 0.334 104 Y C 1.116 177.137 175.900 0.202 0.000 1.094 104 Y CA -1.184 57.025 58.100 0.181 0.000 1.126 104 Y CB 1.019 39.644 38.460 0.275 0.000 1.217 104 Y HN 0.817 nan 8.280 nan 0.000 0.462 105 E N -0.498 119.936 120.200 0.391 0.000 2.883 105 E HA -0.321 3.265 4.350 -1.274 0.000 0.271 105 E C 0.929 177.631 176.600 0.170 0.000 1.049 105 E CA 0.518 57.127 56.400 0.349 0.000 0.817 105 E CB -1.290 28.730 29.700 0.533 0.000 1.407 105 E HN 0.771 nan 8.360 nan 0.000 0.434 106 A N 1.300 124.173 122.820 0.089 0.000 2.119 106 A HA -0.168 3.387 4.320 -1.274 0.000 0.217 106 A C 1.906 179.517 177.584 0.045 0.000 1.153 106 A CA 1.362 53.404 52.037 0.007 0.000 0.692 106 A CB -0.147 18.831 19.000 -0.037 0.000 0.799 106 A HN 0.483 nan 8.150 nan 0.000 0.458 107 D N 0.078 120.532 120.400 0.089 0.000 2.312 107 D HA -0.041 3.835 4.640 -1.274 0.000 0.211 107 D C 0.328 176.683 176.300 0.092 0.000 0.964 107 D CA 0.471 54.527 54.000 0.093 0.000 0.877 107 D CB -0.577 40.282 40.800 0.097 0.000 0.924 107 D HN 0.185 nan 8.370 nan 0.000 0.515 108 V N 2.664 122.636 119.914 0.097 0.000 2.446 108 V HA 0.066 3.422 4.120 -1.274 0.000 0.276 108 V C 0.909 176.972 176.094 -0.052 0.000 1.030 108 V CA -0.401 61.921 62.300 0.036 0.000 1.033 108 V CB 0.552 32.424 31.823 0.082 0.000 0.993 108 V HN 0.071 nan 8.190 nan 0.000 0.477 109 R N 5.895 126.288 120.500 -0.177 0.000 2.582 109 R HA 0.239 3.815 4.340 -1.274 0.000 0.271 109 R C -1.542 174.440 176.300 -0.530 0.000 1.078 109 R CA -2.248 53.519 56.100 -0.555 0.000 1.127 109 R CB 0.226 30.316 30.300 -0.350 0.000 1.038 109 R HN 0.358 nan 8.270 nan 0.000 0.500 110 P HA -0.128 nan 4.420 nan 0.000 0.216 110 P C -1.441 175.792 177.300 -0.111 0.000 1.157 110 P CA 1.682 64.519 63.100 -0.440 0.000 0.880 110 P CB -0.593 30.784 31.700 -0.538 0.000 0.791 111 P HA -0.147 nan 4.420 nan 0.000 0.215 111 P C 1.458 178.946 177.300 0.314 0.000 1.157 111 P CA 1.508 64.721 63.100 0.190 0.000 0.863 111 P CB -0.377 31.401 31.700 0.130 0.000 0.787 112 E N -0.855 119.441 120.200 0.160 0.000 2.110 112 E HA -0.191 3.395 4.350 -1.274 0.000 0.193 112 E C 2.111 178.768 176.600 0.095 0.000 0.988 112 E CA 0.943 57.434 56.400 0.152 0.000 0.804 112 E CB -0.548 29.201 29.700 0.081 0.000 0.745 112 E HN 0.009 nan 8.360 nan 0.000 0.458 113 R N -0.357 120.184 120.500 0.068 0.000 2.081 113 R HA -0.165 3.411 4.340 -1.274 0.000 0.235 113 R C 2.107 178.477 176.300 0.115 0.000 1.131 113 R CA 1.395 57.538 56.100 0.072 0.000 0.960 113 R CB -0.870 29.463 30.300 0.055 0.000 0.856 113 R HN 0.338 nan 8.270 nan 0.000 0.436 114 Y N 0.360 120.702 120.300 0.070 0.000 2.163 114 Y HA -0.101 3.685 4.550 -1.273 0.000 0.288 114 Y C 1.707 177.647 175.900 0.067 0.000 1.136 114 Y CA 1.981 60.141 58.100 0.099 0.000 1.147 114 Y CB -0.141 38.430 38.460 0.186 0.000 0.987 114 Y HN 0.045 nan 8.280 nan 0.000 0.509 115 L N -0.380 120.937 121.223 0.157 0.000 2.027 115 L HA -0.232 3.343 4.340 -1.274 0.000 0.206 115 L C 2.695 179.498 176.870 -0.112 0.000 1.074 115 L CA 1.740 56.591 54.840 0.019 0.000 0.745 115 L CB -0.631 41.527 42.059 0.165 0.000 0.898 115 L HN 0.359 nan 8.230 nan 0.000 0.433 116 M N -0.141 119.326 119.600 -0.221 0.000 2.108 116 M HA -0.218 3.498 4.480 -1.274 0.000 0.261 116 M C 2.034 178.089 176.300 -0.409 0.000 1.066 116 M CA 1.753 56.720 55.300 -0.555 0.000 1.107 116 M CB -0.029 32.264 32.600 -0.511 0.000 1.356 116 M HN 0.124 nan 8.290 nan 0.000 0.406 117 E N 0.294 120.345 120.200 -0.248 0.000 2.347 117 E HA -0.088 3.498 4.350 -1.274 0.000 0.196 117 E C 1.460 177.909 176.600 -0.251 0.000 1.008 117 E CA 0.885 57.151 56.400 -0.223 0.000 0.852 117 E CB -0.164 29.488 29.700 -0.080 0.000 0.783 117 E HN 0.588 nan 8.360 nan 0.000 0.505 118 R N -0.608 119.758 120.500 -0.224 0.000 2.427 118 R HA 0.158 3.734 4.340 -1.274 0.000 0.262 118 R C -0.277 176.114 176.300 0.151 0.000 0.943 118 R CA -0.261 55.801 56.100 -0.064 0.000 1.081 118 R CB -0.047 30.120 30.300 -0.221 0.000 1.166 118 R HN -0.019 nan 8.270 nan 0.000 0.534 119 F N -0.308 119.609 119.950 -0.056 0.000 3.057 119 F HA -0.262 3.500 4.527 -1.276 0.000 0.287 119 F C -0.044 175.773 175.800 0.028 0.000 0.834 119 F CA 0.273 58.266 58.000 -0.011 0.000 1.147 119 F CB -1.711 37.289 39.000 0.001 0.000 1.245 119 F HN 0.034 nan 8.300 nan 0.000 0.509 120 I N -0.001 120.646 120.570 0.128 0.000 2.428 120 I HA 0.328 3.734 4.170 -1.274 0.000 0.296 120 I C 1.272 177.501 176.117 0.186 0.000 0.985 120 I CA 0.452 61.817 61.300 0.108 0.000 1.260 120 I CB 1.496 39.501 38.000 0.009 0.000 1.389 120 I HN 0.245 nan 8.210 nan 0.000 0.484 121 T N -0.354 114.232 114.554 0.054 0.000 3.518 121 T HA 0.188 3.774 4.350 -1.274 0.000 0.211 121 T C 1.147 175.726 174.700 -0.201 0.000 0.940 121 T CA 0.296 62.359 62.100 -0.063 0.000 1.307 121 T CB 0.248 69.082 68.868 -0.055 0.000 1.392 121 T HN 0.459 nan 8.240 nan 0.000 0.382 122 S N 1.442 116.950 115.700 -0.320 0.000 2.931 122 S HA 0.392 4.098 4.470 -1.274 0.000 0.251 122 S C -2.484 171.651 174.600 -0.774 0.000 1.078 122 S CA -0.207 57.586 58.200 -0.680 0.000 0.835 122 S CB 0.040 62.554 63.200 -1.143 0.000 0.798 122 S HN 0.375 nan 8.310 nan 0.000 0.495 123 P HA 0.309 nan 4.420 nan 0.000 0.276 123 P C -0.757 176.481 177.300 -0.103 0.000 1.235 123 P CA 0.072 63.060 63.100 -0.187 0.000 0.772 123 P CB 1.147 32.885 31.700 0.064 0.000 0.871 124 V N -0.047 119.795 119.914 -0.120 0.000 3.206 124 V HA 0.654 4.010 4.120 -1.274 0.000 0.305 124 V C -1.706 174.317 176.094 -0.117 0.000 1.257 124 V CA -0.931 61.328 62.300 -0.069 0.000 1.057 124 V CB 2.542 34.325 31.823 -0.068 0.000 1.075 124 V HN 0.416 nan 8.190 nan 0.000 0.443 125 W N 0.658 122.002 121.300 0.074 0.000 2.632 125 W HA 0.825 4.720 4.660 -1.274 0.000 0.328 125 W C -0.992 175.541 176.519 0.023 0.000 1.044 125 W CA -0.850 56.530 57.345 0.059 0.000 1.225 125 W CB 2.089 31.575 29.460 0.043 0.000 1.396 125 W HN 0.660 nan 8.180 nan 0.000 0.499 126 V N 4.621 124.710 119.914 0.292 0.000 2.588 126 V HA 0.461 3.816 4.120 -1.274 0.000 0.304 126 V C -0.757 175.405 176.094 0.113 0.000 1.042 126 V CA -0.431 61.962 62.300 0.155 0.000 0.877 126 V CB 1.926 33.791 31.823 0.071 0.000 0.996 126 V HN 0.558 nan 8.190 nan 0.000 0.425 127 E N 3.881 124.124 120.200 0.072 0.000 2.288 127 E HA 0.848 4.434 4.350 -1.274 0.000 0.268 127 E C -0.167 176.360 176.600 -0.121 0.000 0.885 127 E CA -0.356 56.036 56.400 -0.013 0.000 0.767 127 E CB 2.410 32.182 29.700 0.120 0.000 1.220 127 E HN 1.070 nan 8.360 nan 0.000 0.427 128 G N 1.558 110.075 108.800 -0.471 0.000 2.323 128 G HA2 0.103 3.299 3.960 -1.274 0.000 0.291 128 G HA3 0.103 3.299 3.960 -1.274 0.000 0.291 128 G C -1.810 172.784 174.900 -0.509 0.000 1.278 128 G CA -0.840 44.037 45.100 -0.371 0.000 0.860 128 G HN 0.416 nan 8.290 nan 0.000 0.504 129 D N 0.650 120.943 120.400 -0.179 0.000 2.217 129 D HA 0.483 4.359 4.640 -1.274 0.000 0.243 129 D C 0.000 176.280 176.300 -0.034 0.000 1.054 129 D CA -0.349 53.603 54.000 -0.080 0.000 0.838 129 D CB 2.031 42.833 40.800 0.005 0.000 1.162 129 D HN 0.363 nan 8.370 nan 0.000 0.472 130 M N 2.624 122.216 119.600 -0.013 0.000 2.188 130 M HA 0.072 3.788 4.480 -1.274 0.000 0.354 130 M C -0.827 175.535 176.300 0.104 0.000 1.342 130 M CA 0.247 55.561 55.300 0.023 0.000 1.117 130 M CB 0.123 32.732 32.600 0.015 0.000 1.670 130 M HN 0.321 nan 8.290 nan 0.000 0.466 131 H N 5.682 124.733 119.070 -0.031 0.000 3.092 131 H HA 0.260 4.052 4.556 -1.274 0.000 0.308 131 H C -0.551 174.763 175.328 -0.023 0.000 1.047 131 H CA -0.498 55.537 56.048 -0.022 0.000 1.466 131 H CB 0.395 30.145 29.762 -0.021 0.000 1.597 131 H HN 0.877 nan 8.280 nan 0.000 0.512 132 N N 3.704 122.356 118.700 -0.080 0.000 2.725 132 N HA -0.187 3.788 4.740 -1.274 0.000 0.251 132 N C 1.063 176.516 175.510 -0.095 0.000 1.031 132 N CA 1.513 54.479 53.050 -0.141 0.000 0.720 132 N CB -1.260 37.048 38.487 -0.298 0.000 0.930 132 N HN 1.114 nan 8.380 nan 0.000 0.543 133 G N -2.393 106.379 108.800 -0.047 0.000 2.176 133 G HA2 -0.305 2.890 3.960 -1.274 0.000 0.253 133 G HA3 -0.305 2.890 3.960 -1.274 0.000 0.253 133 G C 0.182 175.043 174.900 -0.065 0.000 0.979 133 G CA 0.749 45.826 45.100 -0.038 0.000 0.641 133 G HN 0.542 nan 8.290 nan 0.000 0.530 134 T N 1.807 116.316 114.554 -0.076 0.000 2.855 134 T HA 0.643 4.229 4.350 -1.274 0.000 0.281 134 T C 0.196 174.863 174.700 -0.056 0.000 1.007 134 T CA -0.556 61.482 62.100 -0.105 0.000 1.009 134 T CB 1.655 70.450 68.868 -0.121 0.000 0.983 134 T HN 0.198 nan 8.240 nan 0.000 0.455 135 I N 4.254 124.778 120.570 -0.077 0.000 2.325 135 I HA 0.359 3.765 4.170 -1.274 0.000 0.291 135 I C 0.538 176.634 176.117 -0.035 0.000 1.019 135 I CA -0.634 60.635 61.300 -0.052 0.000 1.302 135 I CB 0.440 38.405 38.000 -0.060 0.000 1.401 135 I HN 0.389 nan 8.210 nan 0.000 0.485 136 V N 3.738 123.647 119.914 -0.008 0.000 2.994 136 V HA 0.616 3.972 4.120 -1.274 0.000 0.318 136 V C 0.399 176.492 176.094 -0.002 0.000 1.085 136 V CA -0.888 61.415 62.300 0.005 0.000 0.998 136 V CB 1.735 33.583 31.823 0.042 0.000 1.063 136 V HN 0.813 nan 8.190 nan 0.000 0.447 137 N N -0.281 118.423 118.700 0.007 0.000 2.740 137 N HA -0.157 3.819 4.740 -1.274 0.000 0.248 137 N C 0.221 175.750 175.510 0.032 0.000 1.062 137 N CA 1.112 54.176 53.050 0.023 0.000 0.704 137 N CB -1.361 37.147 38.487 0.034 0.000 0.968 137 N HN 1.511 nan 8.380 nan 0.000 0.547 138 A N 0.371 123.203 122.820 0.020 0.000 2.386 138 A HA 0.584 4.139 4.320 -1.274 0.000 0.248 138 A C 0.683 178.324 177.584 0.095 0.000 1.082 138 A CA 0.080 52.141 52.037 0.039 0.000 0.789 138 A CB 0.734 19.754 19.000 0.032 0.000 1.025 138 A HN 0.316 nan 8.150 nan 0.000 0.490 139 R N 0.595 121.174 120.500 0.131 0.000 2.575 139 R HA 0.590 4.166 4.340 -1.274 0.000 0.293 139 R C -1.526 174.903 176.300 0.214 0.000 0.983 139 R CA -0.452 55.773 56.100 0.209 0.000 0.887 139 R CB 1.749 32.150 30.300 0.169 0.000 1.184 139 R HN 0.679 nan 8.270 nan 0.000 0.445 140 L N 3.503 124.905 121.223 0.298 0.000 2.362 140 L HA 0.601 4.177 4.340 -1.274 0.000 0.271 140 L C -0.505 176.459 176.870 0.156 0.000 1.002 140 L CA -0.808 54.160 54.840 0.214 0.000 0.818 140 L CB 2.033 44.219 42.059 0.213 0.000 1.298 140 L HN 0.614 nan 8.230 nan 0.000 0.420 141 K N 1.873 122.378 120.400 0.175 0.000 2.477 141 K HA 0.669 4.225 4.320 -1.274 0.000 0.255 141 K C -3.031 173.687 176.600 0.196 0.000 0.952 141 K CA -2.117 54.271 56.287 0.168 0.000 0.826 141 K CB 2.120 34.728 32.500 0.181 0.000 1.331 141 K HN 0.069 nan 8.250 nan 0.000 0.437 142 P HA -0.043 nan 4.420 nan 0.000 0.265 142 P C -1.136 176.270 177.300 0.176 0.000 1.193 142 P CA 0.143 63.328 63.100 0.142 0.000 0.765 142 P CB 0.281 32.063 31.700 0.136 0.000 0.823 143 H N 5.290 124.334 119.070 -0.043 0.000 2.459 143 H HA 0.215 4.007 4.556 -1.274 0.000 0.332 143 H C -1.484 173.803 175.328 -0.069 0.000 1.094 143 H CA -2.201 53.699 56.048 -0.246 0.000 1.224 143 H CB 1.530 30.968 29.762 -0.541 0.000 1.449 143 H HN 0.293 nan 8.280 nan 0.000 0.484 144 P HA -0.120 nan 4.420 nan 0.000 0.215 144 P C 0.023 177.454 177.300 0.218 0.000 1.153 144 P CA 1.481 64.675 63.100 0.156 0.000 0.853 144 P CB 0.620 32.388 31.700 0.115 0.000 0.788 145 D N -5.020 115.588 120.400 0.347 0.000 2.516 145 D HA -0.015 3.861 4.640 -1.274 0.000 0.241 145 D C 0.267 176.625 176.300 0.097 0.000 1.246 145 D CA -0.647 53.473 54.000 0.201 0.000 0.808 145 D CB -1.155 39.744 40.800 0.165 0.000 1.147 145 D HN 0.008 nan 8.370 nan 0.000 0.527 146 Y N 2.382 122.563 120.300 -0.198 0.000 2.717 146 Y HA 0.241 4.027 4.550 -1.274 0.000 0.330 146 Y C -0.131 175.722 175.900 -0.079 0.000 1.217 146 Y CA 0.190 58.060 58.100 -0.383 0.000 1.506 146 Y CB 0.403 38.264 38.460 -0.999 0.000 1.268 146 Y HN -0.180 nan 8.280 nan 0.000 0.561 147 R N 7.372 127.285 120.500 -0.979 0.000 2.575 147 R HA 0.439 4.015 4.340 -1.274 0.000 0.293 147 R C -2.836 172.819 176.300 -1.075 0.000 0.983 147 R CA -2.269 53.382 56.100 -0.749 0.000 0.887 147 R CB 1.549 31.605 30.300 -0.407 0.000 1.184 147 R HN 0.497 nan 8.270 nan 0.000 0.445 148 P HA 0.462 nan 4.420 nan 0.000 0.283 148 P C -2.580 174.626 177.300 -0.156 0.000 1.271 148 P CA -1.682 61.243 63.100 -0.291 0.000 0.841 148 P CB 0.881 32.603 31.700 0.036 0.000 1.122 149 P HA 0.441 nan 4.420 nan 0.000 0.297 149 P C -0.919 176.402 177.300 0.034 0.000 1.319 149 P CA -0.228 62.864 63.100 -0.014 0.000 0.810 149 P CB 1.135 32.838 31.700 0.005 0.000 0.947 150 L N 2.994 124.247 121.223 0.050 0.000 2.346 150 L HA 0.502 4.078 4.340 -1.274 0.000 0.274 150 L C 0.520 177.437 176.870 0.079 0.000 1.007 150 L CA -0.858 54.060 54.840 0.131 0.000 0.818 150 L CB 2.236 44.450 42.059 0.259 0.000 1.284 150 L HN 0.191 nan 8.230 nan 0.000 0.424 151 K N 2.018 122.497 120.400 0.131 0.000 2.185 151 K HA 0.471 4.027 4.320 -1.274 0.000 0.269 151 K C -1.433 175.348 176.600 0.301 0.000 0.987 151 K CA -0.603 55.731 56.287 0.077 0.000 0.865 151 K CB 1.630 34.168 32.500 0.063 0.000 1.090 151 K HN 0.269 nan 8.250 nan 0.000 0.450 152 W N 1.611 122.917 121.300 0.009 0.000 2.655 152 W HA 0.567 4.463 4.660 -1.273 0.000 0.358 152 W C -0.542 175.967 176.519 -0.015 0.000 1.100 152 W CA -1.080 56.250 57.345 -0.024 0.000 1.195 152 W CB 0.937 30.340 29.460 -0.094 0.000 1.403 152 W HN 0.142 nan 8.180 nan 0.000 0.589 153 V N 2.004 122.046 119.914 0.212 0.000 2.482 153 V HA 0.460 3.816 4.120 -1.274 0.000 0.295 153 V C -0.718 175.369 176.094 -0.012 0.000 1.026 153 V CA -0.517 61.832 62.300 0.081 0.000 0.856 153 V CB 1.563 33.388 31.823 0.002 0.000 1.001 153 V HN 0.505 nan 8.190 nan 0.000 0.424 154 S N 7.292 122.958 115.700 -0.057 0.000 2.430 154 S HA 0.598 4.304 4.470 -1.274 0.000 0.289 154 S C -0.507 174.021 174.600 -0.120 0.000 1.143 154 S CA -0.456 57.677 58.200 -0.112 0.000 1.067 154 S CB 0.436 63.568 63.200 -0.114 0.000 0.964 154 S HN 0.788 nan 8.310 nan 0.000 0.485 155 I N 4.187 124.709 120.570 -0.079 0.000 2.441 155 I HA 0.571 3.977 4.170 -1.274 0.000 0.295 155 I C -1.085 175.018 176.117 -0.024 0.000 0.994 155 I CA -0.513 60.750 61.300 -0.062 0.000 1.144 155 I CB 1.636 39.634 38.000 -0.002 0.000 1.314 155 I HN 0.640 nan 8.210 nan 0.000 0.445 156 D N 7.173 127.551 120.400 -0.037 0.000 2.934 156 D HA 0.520 4.395 4.640 -1.274 0.000 0.230 156 D C -1.187 175.131 176.300 0.029 0.000 1.204 156 D CA -0.495 53.511 54.000 0.010 0.000 0.873 156 D CB 1.859 42.629 40.800 -0.050 0.000 1.645 156 D HN 0.505 nan 8.370 nan 0.000 0.502 157 I N -0.577 120.059 120.570 0.109 0.000 2.646 157 I HA 0.721 4.127 4.170 -1.274 0.000 0.299 157 I C -0.981 175.249 176.117 0.190 0.000 1.036 157 I CA -0.707 60.653 61.300 0.100 0.000 1.074 157 I CB 2.188 40.200 38.000 0.020 0.000 1.258 157 I HN 0.093 nan 8.210 nan 0.000 0.430 158 E N 3.888 124.189 120.200 0.169 0.000 2.210 158 E HA 0.512 4.097 4.350 -1.274 0.000 0.266 158 E C -0.680 176.003 176.600 0.139 0.000 0.883 158 E CA -0.365 56.173 56.400 0.231 0.000 0.761 158 E CB 2.411 32.295 29.700 0.307 0.000 1.156 158 E HN 0.887 nan 8.360 nan 0.000 0.412 159 T N -1.612 112.982 114.554 0.067 0.000 2.831 159 T HA 0.581 4.167 4.350 -1.274 0.000 0.287 159 T C 0.437 174.878 174.700 -0.433 0.000 1.070 159 T CA -0.723 61.228 62.100 -0.248 0.000 1.010 159 T CB 1.122 69.945 68.868 -0.076 0.000 1.264 159 T HN 0.336 nan 8.240 nan 0.000 0.532 160 T N -0.963 113.208 114.554 -0.638 0.000 2.754 160 T HA 0.259 3.845 4.350 -1.274 0.000 0.286 160 T C 1.528 176.121 174.700 -0.178 0.000 0.997 160 T CA -0.581 61.264 62.100 -0.425 0.000 0.982 160 T CB 0.459 69.137 68.868 -0.316 0.000 1.027 160 T HN 0.928 nan 8.240 nan 0.000 0.529 161 R N -0.066 120.326 120.500 -0.180 0.000 2.237 161 R HA -0.081 3.494 4.340 -1.274 0.000 0.219 161 R C 0.994 177.100 176.300 -0.325 0.000 1.080 161 R CA 1.068 57.022 56.100 -0.244 0.000 0.995 161 R CB -0.536 29.571 30.300 -0.322 0.000 0.875 161 R HN 0.687 nan 8.270 nan 0.000 0.462 162 H N -0.193 118.853 119.070 -0.041 0.000 2.529 162 H HA 0.212 4.003 4.556 -1.274 0.000 0.277 162 H C 1.063 176.362 175.328 -0.048 0.000 1.004 162 H CA 0.560 56.583 56.048 -0.041 0.000 1.167 162 H CB 1.187 30.920 29.762 -0.048 0.000 1.445 162 H HN 0.580 nan 8.280 nan 0.000 0.554 163 G N 1.245 110.062 108.800 0.030 0.000 2.175 163 G HA2 -0.243 2.953 3.960 -1.274 0.000 0.244 163 G HA3 -0.243 2.953 3.960 -1.274 0.000 0.244 163 G C 0.080 175.014 174.900 0.058 0.000 0.982 163 G CA -0.110 45.013 45.100 0.038 0.000 0.641 163 G HN 0.421 nan 8.290 nan 0.000 0.527 164 E N 0.199 120.393 120.200 -0.010 0.000 2.331 164 E HA 0.488 4.074 4.350 -1.274 0.000 0.272 164 E C 0.824 177.379 176.600 -0.075 0.000 1.036 164 E CA -0.600 55.842 56.400 0.069 0.000 0.864 164 E CB 1.007 30.699 29.700 -0.013 0.000 1.035 164 E HN 0.338 nan 8.360 nan 0.000 0.408 165 L N 3.100 124.358 121.223 0.057 0.000 2.453 165 L HA -0.065 3.511 4.340 -1.274 0.000 0.272 165 L C 0.398 177.186 176.870 -0.137 0.000 1.182 165 L CA 0.217 54.974 54.840 -0.138 0.000 0.858 165 L CB 0.038 41.987 42.059 -0.183 0.000 1.120 165 L HN 0.680 nan 8.230 nan 0.000 0.474 166 Y N 1.511 121.744 120.300 -0.111 0.000 2.506 166 Y HA 0.157 3.943 4.550 -1.274 0.000 0.287 166 Y C 0.878 176.791 175.900 0.023 0.000 1.147 166 Y CA -0.906 57.057 58.100 -0.229 0.000 1.241 166 Y CB 0.466 38.741 38.460 -0.309 0.000 1.279 166 Y HN 0.745 nan 8.280 nan 0.000 0.527 167 C N -0.915 118.517 119.300 0.221 0.000 3.321 167 C HA 0.755 4.451 4.460 -1.274 0.000 0.329 167 C C -0.920 174.135 174.990 0.108 0.000 1.394 167 C CA -1.646 57.479 59.018 0.179 0.000 1.291 167 C CB 1.127 28.982 27.740 0.193 0.000 1.606 167 C HN 0.085 nan 8.230 nan 0.000 0.463 168 I N 1.498 122.130 120.570 0.103 0.000 2.499 168 I HA 0.630 4.036 4.170 -1.274 0.000 0.288 168 I C 0.423 176.530 176.117 -0.018 0.000 1.048 168 I CA -0.263 61.072 61.300 0.058 0.000 1.062 168 I CB 1.978 40.040 38.000 0.103 0.000 1.238 168 I HN 1.072 nan 8.210 nan 0.000 0.426 169 G N 6.971 115.720 108.800 -0.084 0.000 2.416 169 G HA2 0.778 3.974 3.960 -1.274 0.000 0.324 169 G HA3 0.778 3.974 3.960 -1.274 0.000 0.324 169 G C -1.030 173.722 174.900 -0.247 0.000 1.194 169 G CA -0.443 44.542 45.100 -0.192 0.000 0.922 169 G HN 0.427 nan 8.290 nan 0.000 0.467 170 L N 1.462 122.464 121.223 -0.368 0.000 2.385 170 L HA 0.598 4.174 4.340 -1.274 0.000 0.273 170 L C -0.304 176.346 176.870 -0.367 0.000 0.990 170 L CA -0.751 53.805 54.840 -0.473 0.000 0.821 170 L CB 2.620 44.116 42.059 -0.938 0.000 1.279 170 L HN 0.466 nan 8.230 nan 0.000 0.412 171 E N 2.453 122.501 120.200 -0.254 0.000 2.244 171 E HA 0.681 4.267 4.350 -1.274 0.000 0.260 171 E C -0.781 175.794 176.600 -0.042 0.000 0.884 171 E CA -0.340 55.977 56.400 -0.140 0.000 0.777 171 E CB 2.267 31.891 29.700 -0.126 0.000 1.197 171 E HN 0.812 nan 8.360 nan 0.000 0.416 172 G N 1.336 110.147 108.800 0.018 0.000 2.347 172 G HA2 0.022 3.218 3.960 -1.274 0.000 0.321 172 G HA3 0.022 3.218 3.960 -1.274 0.000 0.321 172 G C -0.204 174.758 174.900 0.102 0.000 1.412 172 G CA -0.277 44.865 45.100 0.070 0.000 0.990 172 G HN 0.730 nan 8.290 nan 0.000 0.637 173 C N -0.331 118.992 119.300 0.040 0.000 4.432 173 C HA 0.140 3.836 4.460 -1.274 0.000 0.294 173 C C 2.231 177.175 174.990 -0.078 0.000 1.398 173 C CA 2.001 61.012 59.018 -0.011 0.000 1.988 173 C CB -1.560 26.167 27.740 -0.020 0.000 1.251 173 C HN 3.057 nan 8.230 nan 0.000 0.791 174 G N -0.763 108.000 108.800 -0.063 0.000 2.143 174 G HA2 -0.211 2.984 3.960 -1.274 0.000 0.248 174 G HA3 -0.211 2.984 3.960 -1.274 0.000 0.248 174 G C -0.279 174.565 174.900 -0.092 0.000 0.991 174 G CA 0.757 45.815 45.100 -0.069 0.000 0.689 174 G HN 0.768 nan 8.290 nan 0.000 0.522 175 Q N -0.617 119.129 119.800 -0.089 0.000 2.365 175 Q HA 0.681 4.257 4.340 -1.274 0.000 0.269 175 Q C -0.067 175.914 176.000 -0.031 0.000 1.061 175 Q CA -0.637 55.122 55.803 -0.074 0.000 0.816 175 Q CB 1.852 30.532 28.738 -0.097 0.000 1.325 175 Q HN 0.442 nan 8.270 nan 0.000 0.446 176 R N 1.562 122.047 120.500 -0.026 0.000 2.422 176 R HA 0.655 4.231 4.340 -1.274 0.000 0.307 176 R C -0.757 175.520 176.300 -0.037 0.000 1.004 176 R CA -0.217 55.853 56.100 -0.051 0.000 0.882 176 R CB 1.369 31.668 30.300 -0.003 0.000 1.164 176 R HN 0.598 nan 8.270 nan 0.000 0.489 177 I N 2.044 122.517 120.570 -0.163 0.000 2.894 177 I HA 0.516 3.922 4.170 -1.274 0.000 0.302 177 I C -1.366 174.536 176.117 -0.358 0.000 1.188 177 I CA -1.128 60.042 61.300 -0.215 0.000 1.014 177 I CB 2.501 40.324 38.000 -0.294 0.000 1.242 177 I HN 0.227 nan 8.210 nan 0.000 0.430 178 V N 6.229 125.955 119.914 -0.313 0.000 2.525 178 V HA 0.386 3.741 4.120 -1.274 0.000 0.299 178 V C -1.414 174.491 176.094 -0.315 0.000 1.034 178 V CA -0.526 61.604 62.300 -0.283 0.000 0.863 178 V CB 1.624 33.380 31.823 -0.113 0.000 0.999 178 V HN 0.452 nan 8.190 nan 0.000 0.423 179 Y N 4.960 125.242 120.300 -0.030 0.000 2.353 179 Y HA 0.698 4.484 4.550 -1.274 0.000 0.340 179 Y C 0.163 176.068 175.900 0.008 0.000 0.972 179 Y CA -0.725 57.370 58.100 -0.007 0.000 1.157 179 Y CB 1.663 40.134 38.460 0.018 0.000 1.157 179 Y HN 0.656 nan 8.280 nan 0.000 0.495 180 M N 4.776 124.448 119.600 0.120 0.000 2.311 180 M HA 0.468 4.183 4.480 -1.274 0.000 0.325 180 M C -1.689 174.776 176.300 0.276 0.000 1.061 180 M CA -1.044 54.336 55.300 0.133 0.000 0.957 180 M CB 1.057 33.611 32.600 -0.077 0.000 1.646 180 M HN 0.576 nan 8.290 nan 0.000 0.434 181 L N 5.204 126.660 121.223 0.389 0.000 2.513 181 L HA 0.560 4.135 4.340 -1.274 0.000 0.272 181 L C 0.378 177.544 176.870 0.493 0.000 1.187 181 L CA 0.766 55.862 54.840 0.426 0.000 0.895 181 L CB 0.128 42.463 42.059 0.460 0.000 1.147 181 L HN 0.838 nan 8.230 nan 0.000 0.483 182 G N 4.994 114.024 108.800 0.383 0.000 2.563 182 G HA2 0.528 3.724 3.960 -1.274 0.000 0.283 182 G HA3 0.528 3.724 3.960 -1.274 0.000 0.283 182 G C -2.579 172.375 174.900 0.091 0.000 1.309 182 G CA -0.909 44.328 45.100 0.228 0.000 1.022 182 G HN 0.650 nan 8.290 nan 0.000 0.501 183 P HA 0.218 nan 4.420 nan 0.000 0.277 183 P C -0.252 176.811 177.300 -0.394 0.000 1.271 183 P CA -0.638 62.343 63.100 -0.198 0.000 0.795 183 P CB 0.523 32.130 31.700 -0.155 0.000 1.101 184 E N 0.832 120.622 120.200 -0.682 0.000 2.366 184 E HA 0.302 3.887 4.350 -1.274 0.000 0.266 184 E C -0.698 175.707 176.600 -0.324 0.000 1.051 184 E CA -0.570 55.344 56.400 -0.809 0.000 0.884 184 E CB 0.060 29.220 29.700 -0.899 0.000 1.006 184 E HN 0.512 nan 8.360 nan 0.000 0.417 185 N N 0.720 119.316 118.700 -0.174 0.000 2.825 185 N HA 0.569 4.545 4.740 -1.274 0.000 0.253 185 N C -0.064 175.423 175.510 -0.039 0.000 1.426 185 N CA -0.369 52.616 53.050 -0.108 0.000 0.851 185 N CB 1.497 39.910 38.487 -0.124 0.000 1.470 185 N HN 0.824 nan 8.380 nan 0.000 0.517 186 G N -0.070 108.708 108.800 -0.036 0.000 2.645 186 G HA2 -0.099 3.096 3.960 -1.274 0.000 0.239 186 G HA3 -0.099 3.096 3.960 -1.274 0.000 0.239 186 G C -1.434 173.464 174.900 -0.003 0.000 1.331 186 G CA 0.216 45.308 45.100 -0.014 0.000 0.890 186 G HN 0.996 nan 8.290 nan 0.000 0.572 187 D N -0.001 120.401 120.400 0.003 0.000 2.425 187 D HA 0.707 4.583 4.640 -1.274 0.000 0.240 187 D C 0.693 176.991 176.300 -0.003 0.000 1.080 187 D CA 0.529 54.527 54.000 -0.002 0.000 0.836 187 D CB 1.073 41.868 40.800 -0.009 0.000 1.125 187 D HN 1.030 nan 8.370 nan 0.000 0.525 188 A N 2.585 125.402 122.820 -0.005 0.000 2.465 188 A HA 0.148 3.704 4.320 -1.274 0.000 0.255 188 A C 1.763 179.299 177.584 -0.080 0.000 1.274 188 A CA -0.130 51.882 52.037 -0.042 0.000 0.920 188 A CB 0.138 19.135 19.000 -0.005 0.000 1.033 188 A HN 0.452 nan 8.150 nan 0.000 0.516 189 S N -0.160 115.509 115.700 -0.052 0.000 2.423 189 S HA -0.051 3.655 4.470 -1.274 0.000 0.231 189 S C 1.552 176.112 174.600 -0.067 0.000 1.014 189 S CA 1.367 59.535 58.200 -0.053 0.000 0.965 189 S CB -0.005 63.175 63.200 -0.033 0.000 0.785 189 S HN 0.493 nan 8.310 nan 0.000 0.495 190 S N 1.045 116.704 115.700 -0.069 0.000 2.573 190 S HA 0.383 4.089 4.470 -1.274 0.000 0.244 190 S C -0.001 174.539 174.600 -0.100 0.000 0.984 190 S CA -0.197 57.965 58.200 -0.064 0.000 1.001 190 S CB -0.060 63.119 63.200 -0.034 0.000 0.788 190 S HN 0.304 nan 8.310 nan 0.000 0.456 191 L N 2.423 123.532 121.223 -0.189 0.000 2.292 191 L HA 0.328 3.904 4.340 -1.274 0.000 0.284 191 L C 0.562 177.232 176.870 -0.334 0.000 1.065 191 L CA -0.564 54.054 54.840 -0.370 0.000 0.806 191 L CB 0.951 42.588 42.059 -0.705 0.000 1.175 191 L HN 0.172 nan 8.230 nan 0.000 0.431 192 D N 2.091 122.369 120.400 -0.204 0.000 2.395 192 D HA 0.095 3.971 4.640 -1.274 0.000 0.226 192 D C -0.284 176.049 176.300 0.055 0.000 1.146 192 D CA -0.116 53.858 54.000 -0.045 0.000 0.830 192 D CB -0.204 40.624 40.800 0.047 0.000 0.958 192 D HN 0.219 nan 8.370 nan 0.000 0.501 193 F N -1.945 117.982 119.950 -0.039 0.000 2.664 193 F HA 0.597 4.360 4.527 -1.273 0.000 0.317 193 F C -0.361 175.404 175.800 -0.058 0.000 1.108 193 F CA -1.864 56.104 58.000 -0.054 0.000 0.957 193 F CB 0.949 39.906 39.000 -0.073 0.000 1.365 193 F HN -0.223 nan 8.300 nan 0.000 0.475 194 E N 1.248 121.542 120.200 0.157 0.000 2.289 194 E HA 0.456 4.042 4.350 -1.274 0.000 0.278 194 E C -1.754 174.898 176.600 0.087 0.000 1.032 194 E CA -0.655 55.772 56.400 0.045 0.000 0.854 194 E CB 1.244 30.968 29.700 0.041 0.000 1.046 194 E HN 0.678 nan 8.360 nan 0.000 0.409 195 L N 4.272 125.475 121.223 -0.032 0.000 2.376 195 L HA 0.444 4.019 4.340 -1.274 0.000 0.275 195 L C -1.291 175.522 176.870 -0.094 0.000 0.987 195 L CA -0.218 54.582 54.840 -0.065 0.000 0.828 195 L CB 1.731 43.716 42.059 -0.123 0.000 1.249 195 L HN 0.607 nan 8.230 nan 0.000 0.409 196 E N 3.461 123.603 120.200 -0.097 0.000 2.199 196 E HA 0.376 3.962 4.350 -1.274 0.000 0.265 196 E C -1.633 174.981 176.600 0.024 0.000 0.882 196 E CA -0.664 55.770 56.400 0.057 0.000 0.759 196 E CB 1.407 31.254 29.700 0.245 0.000 1.148 196 E HN 0.545 nan 8.360 nan 0.000 0.412 197 Y N 1.272 121.668 120.300 0.160 0.000 2.376 197 Y HA 0.428 4.213 4.550 -1.274 0.000 0.325 197 Y C 0.117 176.099 175.900 0.137 0.000 1.199 197 Y CA -0.566 57.620 58.100 0.143 0.000 1.206 197 Y CB 1.573 40.087 38.460 0.090 0.000 1.229 197 Y HN 0.245 nan 8.280 nan 0.000 0.480 198 V N -0.804 119.299 119.914 0.315 0.000 2.841 198 V HA 0.782 4.138 4.120 -1.274 0.000 0.310 198 V C 0.129 176.330 176.094 0.178 0.000 1.090 198 V CA -0.634 61.782 62.300 0.193 0.000 0.930 198 V CB 1.352 33.253 31.823 0.130 0.000 1.014 198 V HN 0.878 nan 8.190 nan 0.000 0.425 199 A N 3.084 125.973 122.820 0.114 0.000 1.968 199 A HA 0.331 3.886 4.320 -1.274 0.000 0.217 199 A C 1.266 178.897 177.584 0.079 0.000 1.169 199 A CA 1.348 53.437 52.037 0.087 0.000 0.638 199 A CB -0.478 18.552 19.000 0.050 0.000 0.812 199 A HN 1.740 nan 8.150 nan 0.000 0.446 200 S N -2.743 112.990 115.700 0.054 0.000 2.599 200 S HA 0.598 4.304 4.470 -1.274 0.000 0.287 200 S C 0.341 174.944 174.600 0.005 0.000 1.105 200 S CA -0.729 57.479 58.200 0.014 0.000 0.899 200 S CB 1.572 64.742 63.200 -0.049 0.000 1.100 200 S HN 0.289 nan 8.310 nan 0.000 0.482 201 R N 0.552 121.041 120.500 -0.018 0.000 2.096 201 R HA 0.013 3.589 4.340 -1.274 0.000 0.235 201 R C -1.011 175.267 176.300 -0.038 0.000 1.127 201 R CA 1.546 57.665 56.100 0.031 0.000 0.968 201 R CB -1.457 28.939 30.300 0.161 0.000 0.861 201 R HN 0.547 nan 8.270 nan 0.000 0.440 202 P HA -0.140 nan 4.420 nan 0.000 0.220 202 P C 0.708 177.973 177.300 -0.058 0.000 1.148 202 P CA 1.259 64.203 63.100 -0.260 0.000 0.803 202 P CB 0.061 31.511 31.700 -0.417 0.000 0.782 203 Q N -1.078 118.688 119.800 -0.056 0.000 2.297 203 Q HA -0.051 3.525 4.340 -1.274 0.000 0.204 203 Q C 1.959 177.934 176.000 -0.041 0.000 0.962 203 Q CA 0.819 56.603 55.803 -0.031 0.000 0.879 203 Q CB -0.502 28.230 28.738 -0.010 0.000 0.947 203 Q HN 0.301 nan 8.270 nan 0.000 0.462 204 L N -0.367 120.851 121.223 -0.008 0.000 2.093 204 L HA -0.200 3.376 4.340 -1.274 0.000 0.208 204 L C 1.879 178.714 176.870 -0.058 0.000 1.085 204 L CA 0.586 55.410 54.840 -0.026 0.000 0.755 204 L CB -0.263 41.821 42.059 0.042 0.000 0.904 204 L HN 0.235 nan 8.230 nan 0.000 0.435 205 L N -0.386 120.840 121.223 0.004 0.000 2.141 205 L HA -0.148 3.428 4.340 -1.274 0.000 0.209 205 L C 2.441 179.302 176.870 -0.015 0.000 1.094 205 L CA 1.579 56.427 54.840 0.013 0.000 0.763 205 L CB -0.600 41.512 42.059 0.088 0.000 0.908 205 L HN 0.221 nan 8.230 nan 0.000 0.437 206 E N -0.992 119.191 120.200 -0.029 0.000 2.107 206 E HA -0.156 3.430 4.350 -1.274 0.000 0.191 206 E C 2.036 178.597 176.600 -0.064 0.000 0.982 206 E CA 0.545 56.927 56.400 -0.030 0.000 0.809 206 E CB 0.079 29.765 29.700 -0.024 0.000 0.756 206 E HN 0.274 nan 8.360 nan 0.000 0.459 207 K N 0.708 120.999 120.400 -0.182 0.000 2.057 207 K HA -0.137 3.418 4.320 -1.274 0.000 0.207 207 K C 2.237 178.702 176.600 -0.224 0.000 1.049 207 K CA 0.592 56.648 56.287 -0.384 0.000 0.931 207 K CB -0.396 31.476 32.500 -1.048 0.000 0.714 207 K HN 0.113 nan 8.250 nan 0.000 0.440 208 L N 2.178 123.323 121.223 -0.130 0.000 2.046 208 L HA -0.154 3.422 4.340 -1.274 0.000 0.208 208 L C 1.638 178.659 176.870 0.252 0.000 1.077 208 L CA 1.702 56.618 54.840 0.126 0.000 0.747 208 L CB -0.572 41.522 42.059 0.058 0.000 0.896 208 L HN 0.114 nan 8.230 nan 0.000 0.432 209 N N 0.147 118.914 118.700 0.112 0.000 2.142 209 N HA -0.115 3.861 4.740 -1.274 0.000 0.186 209 N C 1.851 177.488 175.510 0.211 0.000 1.023 209 N CA 1.576 54.698 53.050 0.121 0.000 0.852 209 N CB -0.513 37.998 38.487 0.041 0.000 0.998 209 N HN 0.511 nan 8.380 nan 0.000 0.424 210 A N -0.134 122.787 122.820 0.169 0.000 1.933 210 A HA -0.156 3.400 4.320 -1.274 0.000 0.218 210 A C 2.181 179.908 177.584 0.239 0.000 1.175 210 A CA 1.176 53.306 52.037 0.156 0.000 0.628 210 A CB -1.111 17.952 19.000 0.105 0.000 0.814 210 A HN 0.535 nan 8.150 nan 0.000 0.444 211 W N -0.790 120.642 121.300 0.220 0.000 2.381 211 W HA -0.128 3.768 4.660 -1.274 0.000 0.301 211 W C 1.768 178.450 176.519 0.272 0.000 1.205 211 W CA 1.668 59.211 57.345 0.331 0.000 1.285 211 W CB -0.273 29.454 29.460 0.445 0.000 1.133 211 W HN 0.308 nan 8.180 nan 0.000 0.521 212 F N 0.309 120.556 119.950 0.494 0.000 2.146 212 F HA -0.150 3.612 4.527 -1.274 0.000 0.298 212 F C 2.550 178.379 175.800 0.050 0.000 1.096 212 F CA 1.969 60.160 58.000 0.318 0.000 1.275 212 F CB -0.937 38.219 39.000 0.261 0.000 1.008 212 F HN -0.054 nan 8.300 nan 0.000 0.480 213 A N 0.102 123.041 122.820 0.199 0.000 1.902 213 A HA -0.196 3.360 4.320 -1.274 0.000 0.217 213 A C 2.063 179.578 177.584 -0.116 0.000 1.181 213 A CA 1.942 54.005 52.037 0.043 0.000 0.623 213 A CB -0.721 18.298 19.000 0.032 0.000 0.818 213 A HN 0.339 nan 8.150 nan 0.000 0.443 214 N N -0.966 117.579 118.700 -0.257 0.000 2.062 214 N HA -0.122 3.854 4.740 -1.274 0.000 0.191 214 N C 1.469 176.502 175.510 -0.796 0.000 1.042 214 N CA 1.795 54.494 53.050 -0.586 0.000 0.845 214 N CB -0.628 37.306 38.487 -0.921 0.000 1.024 214 N HN 0.604 nan 8.380 nan 0.000 0.424 215 Y N 0.569 120.504 120.300 -0.609 0.000 2.519 215 Y HA 0.057 3.843 4.550 -1.274 0.000 0.287 215 Y C 0.193 175.849 175.900 -0.406 0.000 1.128 215 Y CA -0.122 57.580 58.100 -0.663 0.000 1.282 215 Y CB -0.222 37.457 38.460 -1.303 0.000 1.027 215 Y HN 0.017 nan 8.280 nan 0.000 0.551 216 D N 0.665 120.934 120.400 -0.218 0.000 2.803 216 D HA -0.143 3.733 4.640 -1.274 0.000 0.233 216 D C -2.669 173.612 176.300 -0.031 0.000 1.182 216 D CA 0.004 53.954 54.000 -0.083 0.000 0.726 216 D CB -0.166 40.607 40.800 -0.044 0.000 0.987 216 D HN 0.175 nan 8.370 nan 0.000 0.412 217 P HA 0.153 nan 4.420 nan 0.000 0.278 217 P C 0.394 177.751 177.300 0.095 0.000 1.238 217 P CA -0.275 62.852 63.100 0.044 0.000 0.794 217 P CB 0.941 32.667 31.700 0.044 0.000 0.955 218 D N 0.527 121.011 120.400 0.139 0.000 2.213 218 D HA 0.027 3.903 4.640 -1.274 0.000 0.205 218 D C 0.445 176.835 176.300 0.149 0.000 0.961 218 D CA 1.223 55.314 54.000 0.153 0.000 0.853 218 D CB 0.353 41.261 40.800 0.180 0.000 0.967 218 D HN 0.146 nan 8.370 nan 0.000 0.496 219 V N 1.498 121.515 119.914 0.170 0.000 2.656 219 V HA 0.370 3.726 4.120 -1.274 0.000 0.307 219 V C -0.166 175.964 176.094 0.060 0.000 1.051 219 V CA -0.764 61.589 62.300 0.089 0.000 0.893 219 V CB 2.651 34.469 31.823 -0.009 0.000 0.999 219 V HN -0.122 nan 8.190 nan 0.000 0.426 220 I N 5.823 126.416 120.570 0.038 0.000 2.339 220 I HA 0.575 3.980 4.170 -1.274 0.000 0.290 220 I C -0.221 175.857 176.117 -0.064 0.000 0.994 220 I CA -0.347 60.981 61.300 0.047 0.000 1.191 220 I CB 1.339 39.417 38.000 0.130 0.000 1.343 220 I HN 0.650 nan 8.210 nan 0.000 0.458 221 I N 2.916 123.393 120.570 -0.156 0.000 2.846 221 I HA 1.070 4.475 4.170 -1.274 0.000 0.307 221 I C -0.087 175.934 176.117 -0.160 0.000 1.053 221 I CA -0.378 60.750 61.300 -0.286 0.000 1.050 221 I CB 2.338 39.809 38.000 -0.882 0.000 1.239 221 I HN 0.617 nan 8.210 nan 0.000 0.439 222 G N 2.291 111.057 108.800 -0.056 0.000 2.428 222 G HA2 0.228 3.423 3.960 -1.274 0.000 0.304 222 G HA3 0.228 3.423 3.960 -1.274 0.000 0.304 222 G C -2.684 172.383 174.900 0.279 0.000 1.303 222 G CA -0.701 44.452 45.100 0.088 0.000 0.825 222 G HN 0.770 nan 8.290 nan 0.000 0.484 223 W N 1.773 123.084 121.300 0.018 0.000 2.362 223 W HA 0.412 4.308 4.660 -1.273 0.000 0.316 223 W C 0.562 177.116 176.519 0.059 0.000 1.024 223 W CA -0.298 57.067 57.345 0.033 0.000 1.270 223 W CB 1.283 30.740 29.460 -0.006 0.000 1.273 223 W HN 0.750 nan 8.180 nan 0.000 0.424 224 N N 3.646 122.267 118.700 -0.131 0.000 2.740 224 N HA -0.221 3.755 4.740 -1.274 0.000 0.248 224 N C 0.446 176.032 175.510 0.126 0.000 1.062 224 N CA 1.036 54.067 53.050 -0.032 0.000 0.704 224 N CB -1.051 37.439 38.487 0.006 0.000 0.968 224 N HN 0.315 nan 8.380 nan 0.000 0.547 225 V N -0.609 119.368 119.914 0.104 0.000 2.515 225 V HA -0.153 3.203 4.120 -1.274 0.000 0.250 225 V C 1.922 178.091 176.094 0.126 0.000 1.058 225 V CA 2.121 64.500 62.300 0.131 0.000 1.064 225 V CB 0.063 31.941 31.823 0.091 0.000 0.675 225 V HN 0.361 nan 8.190 nan 0.000 0.461 226 V N -0.555 119.429 119.914 0.116 0.000 2.273 226 V HA -0.142 3.214 4.120 -1.274 0.000 0.242 226 V C 2.488 178.714 176.094 0.220 0.000 1.035 226 V CA 1.706 64.103 62.300 0.163 0.000 1.013 226 V CB -0.658 31.243 31.823 0.130 0.000 0.652 226 V HN 0.448 nan 8.190 nan 0.000 0.452 227 Q N -1.282 118.611 119.800 0.155 0.000 2.291 227 Q HA -0.076 3.500 4.340 -1.274 0.000 0.205 227 Q C 1.771 177.862 176.000 0.153 0.000 0.970 227 Q CA 1.558 57.439 55.803 0.131 0.000 0.876 227 Q CB -0.183 28.605 28.738 0.083 0.000 0.935 227 Q HN 0.695 nan 8.270 nan 0.000 0.455 228 F N 0.694 120.673 119.950 0.047 0.000 2.484 228 F HA 0.053 3.816 4.527 -1.274 0.000 0.268 228 F C 1.185 177.013 175.800 0.046 0.000 0.965 228 F CA 0.644 58.665 58.000 0.036 0.000 1.119 228 F CB -0.155 38.867 39.000 0.036 0.000 1.153 228 F HN -0.083 nan 8.300 nan 0.000 0.689 229 D N 1.236 121.574 120.400 -0.103 0.000 2.092 229 D HA -0.196 3.680 4.640 -1.274 0.000 0.193 229 D C 2.314 178.540 176.300 -0.124 0.000 0.994 229 D CA 2.139 56.024 54.000 -0.191 0.000 0.828 229 D CB -0.467 40.366 40.800 0.055 0.000 0.963 229 D HN 0.275 nan 8.370 nan 0.000 0.450 230 L N -0.030 121.213 121.223 0.034 0.000 2.141 230 L HA -0.054 3.522 4.340 -1.274 0.000 0.209 230 L C 2.523 179.527 176.870 0.222 0.000 1.094 230 L CA 0.725 55.654 54.840 0.149 0.000 0.763 230 L CB -0.248 41.937 42.059 0.211 0.000 0.908 230 L HN -0.002 nan 8.230 nan 0.000 0.437 231 R N -0.328 120.233 120.500 0.101 0.000 2.075 231 R HA -0.182 3.394 4.340 -1.274 0.000 0.232 231 R C 2.296 178.467 176.300 -0.215 0.000 1.126 231 R CA 1.401 57.401 56.100 -0.166 0.000 0.963 231 R CB -0.076 30.111 30.300 -0.189 0.000 0.858 231 R HN 0.130 nan 8.270 nan 0.000 0.435 232 M N 0.401 119.858 119.600 -0.239 0.000 2.132 232 M HA -0.067 3.649 4.480 -1.274 0.000 0.263 232 M C 1.860 178.132 176.300 -0.048 0.000 1.065 232 M CA 1.544 56.721 55.300 -0.205 0.000 1.122 232 M CB -0.153 32.179 32.600 -0.447 0.000 1.365 232 M HN 0.156 nan 8.290 nan 0.000 0.411 233 L N -0.944 120.207 121.223 -0.119 0.000 2.083 233 L HA -0.223 3.353 4.340 -1.274 0.000 0.209 233 L C 2.461 179.316 176.870 -0.025 0.000 1.083 233 L CA 1.202 55.987 54.840 -0.092 0.000 0.752 233 L CB -0.701 41.308 42.059 -0.083 0.000 0.899 233 L HN 0.327 nan 8.230 nan 0.000 0.433 234 Q N 0.606 120.390 119.800 -0.027 0.000 2.079 234 Q HA -0.192 3.383 4.340 -1.274 0.000 0.200 234 Q C 2.108 178.011 176.000 -0.162 0.000 0.974 234 Q CA 1.659 57.426 55.803 -0.061 0.000 0.840 234 Q CB 0.025 28.691 28.738 -0.121 0.000 0.898 234 Q HN 0.265 nan 8.270 nan 0.000 0.430 235 K N -1.228 119.057 120.400 -0.192 0.000 2.057 235 K HA -0.162 3.394 4.320 -1.274 0.000 0.206 235 K C 2.036 178.447 176.600 -0.314 0.000 1.050 235 K CA 1.435 57.570 56.287 -0.253 0.000 0.935 235 K CB -0.160 32.187 32.500 -0.255 0.000 0.715 235 K HN 0.381 nan 8.250 nan 0.000 0.439 236 H N -0.140 118.717 119.070 -0.355 0.000 2.353 236 H HA -0.052 3.740 4.556 -1.274 0.000 0.300 236 H C 1.895 176.869 175.328 -0.589 0.000 1.090 236 H CA 1.565 57.268 56.048 -0.575 0.000 1.327 236 H CB -0.151 29.392 29.762 -0.365 0.000 1.383 236 H HN 0.259 nan 8.280 nan 0.000 0.508 237 A N 0.809 123.541 122.820 -0.146 0.000 1.902 237 A HA -0.205 3.351 4.320 -1.274 0.000 0.217 237 A C 2.107 179.631 177.584 -0.100 0.000 1.181 237 A CA 1.870 53.866 52.037 -0.069 0.000 0.623 237 A CB -0.317 18.670 19.000 -0.022 0.000 0.818 237 A HN 0.501 nan 8.150 nan 0.000 0.443 238 E N -0.694 119.412 120.200 -0.157 0.000 2.106 238 E HA -0.124 3.462 4.350 -1.274 0.000 0.192 238 E C 2.339 178.848 176.600 -0.152 0.000 0.984 238 E CA 0.780 57.095 56.400 -0.141 0.000 0.806 238 E CB -0.118 29.480 29.700 -0.171 0.000 0.750 238 E HN 0.488 nan 8.360 nan 0.000 0.458 239 R N -0.136 120.203 120.500 -0.269 0.000 2.092 239 R HA -0.096 3.480 4.340 -1.274 0.000 0.231 239 R C 1.501 177.765 176.300 -0.059 0.000 1.119 239 R CA 0.987 56.939 56.100 -0.248 0.000 0.970 239 R CB -0.044 29.993 30.300 -0.437 0.000 0.864 239 R HN 0.264 nan 8.270 nan 0.000 0.440 240 Y N 0.269 120.546 120.300 -0.038 0.000 2.511 240 Y HA 0.187 3.973 4.550 -1.273 0.000 0.279 240 Y C 0.409 176.297 175.900 -0.020 0.000 1.157 240 Y CA -0.374 57.714 58.100 -0.020 0.000 1.300 240 Y CB -0.089 38.371 38.460 0.001 0.000 1.052 240 Y HN -0.044 nan 8.280 nan 0.000 0.529 241 R N -0.274 120.280 120.500 0.090 0.000 3.423 241 R HA -0.205 3.371 4.340 -1.274 0.000 0.271 241 R C -0.672 175.660 176.300 0.053 0.000 1.093 241 R CA 0.323 56.449 56.100 0.043 0.000 0.730 241 R CB -2.364 27.957 30.300 0.035 0.000 1.190 241 R HN 0.319 nan 8.270 nan 0.000 0.437 242 L N 1.656 122.922 121.223 0.071 0.000 2.341 242 L HA 0.528 4.103 4.340 -1.274 0.000 0.278 242 L C -1.856 175.035 176.870 0.035 0.000 1.005 242 L CA -2.086 52.794 54.840 0.067 0.000 0.818 242 L CB 1.728 43.864 42.059 0.129 0.000 1.259 242 L HN -0.150 nan 8.230 nan 0.000 0.418 243 P HA 0.042 nan 4.420 nan 0.000 0.271 243 P C -0.901 176.394 177.300 -0.007 0.000 1.220 243 P CA -0.378 62.722 63.100 0.001 0.000 0.768 243 P CB 1.263 32.960 31.700 -0.005 0.000 0.848 244 L N 5.365 126.578 121.223 -0.018 0.000 2.315 244 L HA 0.258 3.833 4.340 -1.274 0.000 0.278 244 L C 0.656 177.472 176.870 -0.089 0.000 1.088 244 L CA -0.180 54.633 54.840 -0.046 0.000 0.899 244 L CB -0.232 41.813 42.059 -0.024 0.000 1.277 244 L HN 0.203 nan 8.230 nan 0.000 0.431 245 R N 5.702 126.142 120.500 -0.099 0.000 3.701 245 R HA 0.207 3.783 4.340 -1.274 0.000 0.210 245 R C 0.510 176.685 176.300 -0.209 0.000 1.598 245 R CA -0.124 55.907 56.100 -0.114 0.000 1.427 245 R CB 0.054 30.321 30.300 -0.055 0.000 1.339 245 R HN 0.703 nan 8.270 nan 0.000 0.720 246 L N 0.042 121.079 121.223 -0.311 0.000 2.591 246 L HA 0.142 3.718 4.340 -1.274 0.000 0.228 246 L C 1.279 178.016 176.870 -0.223 0.000 1.133 246 L CA -0.022 54.495 54.840 -0.539 0.000 0.880 246 L CB 0.078 41.795 42.059 -0.570 0.000 1.033 246 L HN 0.418 nan 8.230 nan 0.000 0.450 247 G N 0.006 108.712 108.800 -0.157 0.000 2.477 247 G HA2 0.422 3.618 3.960 -1.274 0.000 0.304 247 G HA3 0.422 3.618 3.960 -1.274 0.000 0.304 247 G C -0.223 174.589 174.900 -0.148 0.000 1.175 247 G CA -0.546 44.465 45.100 -0.148 0.000 0.907 247 G HN 0.050 nan 8.290 nan 0.000 0.509 248 R N -0.492 119.831 120.500 -0.294 0.000 2.707 248 R HA 0.198 3.774 4.340 -1.274 0.000 0.270 248 R C 0.209 176.335 176.300 -0.289 0.000 1.083 248 R CA 0.331 56.205 56.100 -0.375 0.000 1.182 248 R CB 0.288 30.082 30.300 -0.843 0.000 1.084 248 R HN 0.704 nan 8.270 nan 0.000 0.528 249 D N 1.450 121.776 120.400 -0.123 0.000 2.723 249 D HA -0.208 3.667 4.640 -1.274 0.000 0.236 249 D C -0.984 175.304 176.300 -0.021 0.000 1.138 249 D CA 0.838 54.847 54.000 0.014 0.000 0.676 249 D CB -1.276 39.598 40.800 0.123 0.000 1.069 249 D HN 0.769 nan 8.370 nan 0.000 0.430 250 N N -0.830 117.853 118.700 -0.028 0.000 2.699 250 N HA -0.232 3.744 4.740 -1.274 0.000 0.256 250 N C -0.428 175.057 175.510 -0.042 0.000 0.993 250 N CA 1.287 54.324 53.050 -0.023 0.000 0.759 250 N CB -1.490 36.993 38.487 -0.005 0.000 0.906 250 N HN 0.664 nan 8.380 nan 0.000 0.541 251 S N -1.246 114.410 115.700 -0.074 0.000 2.621 251 S HA 0.499 4.205 4.470 -1.274 0.000 0.302 251 S C -0.053 174.491 174.600 -0.093 0.000 1.093 251 S CA -0.915 57.235 58.200 -0.084 0.000 1.017 251 S CB 2.553 65.686 63.200 -0.112 0.000 1.077 251 S HN 0.167 nan 8.310 nan 0.000 0.517 252 E N 0.703 120.857 120.200 -0.078 0.000 2.354 252 E HA 0.229 3.815 4.350 -1.274 0.000 0.269 252 E C -0.375 176.166 176.600 -0.098 0.000 1.036 252 E CA -0.614 55.742 56.400 -0.074 0.000 0.876 252 E CB 0.691 30.367 29.700 -0.041 0.000 1.009 252 E HN 0.546 nan 8.360 nan 0.000 0.416 253 L N 3.055 124.211 121.223 -0.113 0.000 2.490 253 L HA -0.008 3.567 4.340 -1.274 0.000 0.274 253 L C -0.145 176.621 176.870 -0.174 0.000 1.201 253 L CA 0.838 55.568 54.840 -0.183 0.000 0.869 253 L CB 0.269 42.221 42.059 -0.179 0.000 1.123 253 L HN 0.444 nan 8.230 nan 0.000 0.484 254 E N 3.633 123.661 120.200 -0.286 0.000 2.235 254 E HA 0.351 3.937 4.350 -1.274 0.000 0.265 254 E C -1.631 174.722 176.600 -0.411 0.000 0.940 254 E CA -0.476 55.809 56.400 -0.192 0.000 0.819 254 E CB 1.354 30.992 29.700 -0.102 0.000 1.206 254 E HN 0.587 nan 8.360 nan 0.000 0.409 255 W N 0.858 122.157 121.300 -0.001 0.000 2.739 255 W HA 0.387 4.283 4.660 -1.274 0.000 0.331 255 W C 0.006 176.629 176.519 0.173 0.000 1.049 255 W CA -0.707 56.673 57.345 0.058 0.000 1.234 255 W CB 1.440 30.841 29.460 -0.099 0.000 1.404 255 W HN 0.024 nan 8.180 nan 0.000 0.477 256 R N 1.917 122.724 120.500 0.512 0.000 2.599 256 R HA 0.277 3.852 4.340 -1.274 0.000 0.295 256 R C -0.567 176.040 176.300 0.511 0.000 0.963 256 R CA -1.208 55.151 56.100 0.433 0.000 0.883 256 R CB 2.322 32.760 30.300 0.230 0.000 1.171 256 R HN 0.667 nan 8.270 nan 0.000 0.450 257 E N 2.141 122.539 120.200 0.331 0.000 2.354 257 E HA -0.016 3.569 4.350 -1.274 0.000 0.269 257 E C -0.236 176.392 176.600 0.048 0.000 1.036 257 E CA -0.361 55.995 56.400 -0.074 0.000 0.876 257 E CB 0.635 30.281 29.700 -0.091 0.000 1.009 257 E HN 0.367 nan 8.360 nan 0.000 0.416 258 H N 3.181 122.190 119.070 -0.101 0.000 2.871 258 H HA 0.008 3.800 4.556 -1.274 0.000 0.355 258 H C 1.139 176.385 175.328 -0.136 0.000 1.092 258 H CA 0.996 57.034 56.048 -0.017 0.000 1.420 258 H CB 1.294 31.024 29.762 -0.053 0.000 1.400 258 H HN 0.810 nan 8.280 nan 0.000 0.604 259 G N 3.411 112.050 108.800 -0.269 0.000 2.476 259 G HA2 -0.278 2.918 3.960 -1.274 0.000 0.218 259 G HA3 -0.278 2.918 3.960 -1.274 0.000 0.218 259 G C 0.732 175.616 174.900 -0.026 0.000 1.164 259 G CA 1.391 46.330 45.100 -0.269 0.000 0.768 259 G HN 0.669 nan 8.290 nan 0.000 0.560 260 F N -1.998 118.206 119.950 0.424 0.000 2.915 260 F HA 0.492 4.255 4.527 -1.274 0.000 0.347 260 F C 0.375 176.169 175.800 -0.011 0.000 1.104 260 F CA -0.664 57.425 58.000 0.148 0.000 1.126 260 F CB 0.561 39.619 39.000 0.097 0.000 1.145 260 F HN -0.221 nan 8.300 nan 0.000 0.541 261 K N 1.789 122.110 120.400 -0.131 0.000 2.965 261 K HA 0.188 3.744 4.320 -1.274 0.000 0.216 261 K C -0.670 175.810 176.600 -0.200 0.000 1.164 261 K CA -0.638 55.488 56.287 -0.269 0.000 1.153 261 K CB -1.211 30.925 32.500 -0.606 0.000 1.045 261 K HN 0.524 nan 8.250 nan 0.000 0.460 262 N N 0.398 119.032 118.700 -0.110 0.000 1.810 262 N HA -0.130 3.846 4.740 -1.274 0.000 0.329 262 N C 1.006 176.419 175.510 -0.162 0.000 1.228 262 N CA 1.088 54.057 53.050 -0.135 0.000 0.794 262 N CB 0.055 38.504 38.487 -0.064 0.000 1.012 262 N HN 0.377 nan 8.380 nan 0.000 0.502 263 G N -0.700 107.958 108.800 -0.235 0.000 2.194 263 G HA2 -0.240 2.955 3.960 -1.274 0.000 0.236 263 G HA3 -0.240 2.955 3.960 -1.274 0.000 0.236 263 G C -0.221 174.539 174.900 -0.233 0.000 0.987 263 G CA 0.106 45.109 45.100 -0.161 0.000 0.635 263 G HN 0.702 nan 8.290 nan 0.000 0.520 264 V N 1.476 121.161 119.914 -0.382 0.000 2.370 264 V HA 0.743 4.098 4.120 -1.274 0.000 0.283 264 V C -0.391 175.408 176.094 -0.491 0.000 1.023 264 V CA -0.587 61.516 62.300 -0.328 0.000 0.857 264 V CB 1.039 32.705 31.823 -0.261 0.000 0.985 264 V HN 0.208 nan 8.190 nan 0.000 0.443 265 F N 4.224 124.144 119.950 -0.050 0.000 2.495 265 F HA 0.665 4.428 4.527 -1.273 0.000 0.327 265 F C -0.269 175.599 175.800 0.114 0.000 1.103 265 F CA -0.729 57.340 58.000 0.114 0.000 0.949 265 F CB 1.730 40.853 39.000 0.206 0.000 1.142 265 F HN 0.283 nan 8.300 nan 0.000 0.457 266 F N 1.850 122.055 119.950 0.426 0.000 2.421 266 F HA 0.682 4.445 4.527 -1.274 0.000 0.337 266 F C 0.362 176.149 175.800 -0.023 0.000 1.105 266 F CA -0.832 57.278 58.000 0.183 0.000 1.049 266 F CB 1.370 40.400 39.000 0.050 0.000 1.139 266 F HN 0.514 nan 8.300 nan 0.000 0.479 267 A N 3.625 126.332 122.820 -0.188 0.000 2.310 267 A HA 0.701 4.257 4.320 -1.274 0.000 0.299 267 A C -0.820 176.527 177.584 -0.395 0.000 1.147 267 A CA -0.569 50.960 52.037 -0.846 0.000 0.818 267 A CB 0.626 18.878 19.000 -1.246 0.000 1.096 267 A HN 0.762 nan 8.150 nan 0.000 0.495 268 Q N 0.397 119.949 119.800 -0.413 0.000 2.323 268 Q HA 0.626 4.201 4.340 -1.274 0.000 0.271 268 Q C -1.035 174.833 176.000 -0.220 0.000 1.048 268 Q CA -0.741 54.927 55.803 -0.225 0.000 0.792 268 Q CB 2.431 31.085 28.738 -0.140 0.000 1.280 268 Q HN 0.846 nan 8.270 nan 0.000 0.441 269 A N 2.442 125.170 122.820 -0.153 0.000 2.319 269 A HA 0.408 3.963 4.320 -1.274 0.000 0.310 269 A C -0.522 176.992 177.584 -0.117 0.000 1.152 269 A CA -0.744 51.206 52.037 -0.143 0.000 0.783 269 A CB 0.977 19.905 19.000 -0.120 0.000 1.184 269 A HN 0.693 nan 8.150 nan 0.000 0.474 270 K N 1.965 122.270 120.400 -0.158 0.000 2.484 270 K HA 0.280 3.836 4.320 -1.274 0.000 0.280 270 K C 1.167 177.486 176.600 -0.468 0.000 1.013 270 K CA 1.421 57.564 56.287 -0.241 0.000 1.029 270 K CB -0.013 32.250 32.500 -0.395 0.000 0.902 270 K HN 1.869 nan 8.250 nan 0.000 0.481 271 G N 3.543 112.088 108.800 -0.424 0.000 2.168 271 G HA2 -0.299 2.897 3.960 -1.274 0.000 0.263 271 G HA3 -0.299 2.897 3.960 -1.274 0.000 0.263 271 G C -0.262 174.580 174.900 -0.097 0.000 0.977 271 G CA 0.533 45.379 45.100 -0.424 0.000 0.659 271 G HN 0.667 nan 8.290 nan 0.000 0.533 272 R N -1.032 119.442 120.500 -0.044 0.000 2.725 272 R HA 0.685 4.261 4.340 -1.274 0.000 0.277 272 R C -0.297 176.026 176.300 0.039 0.000 0.987 272 R CA -0.995 55.123 56.100 0.031 0.000 0.901 272 R CB 1.525 31.858 30.300 0.053 0.000 1.207 272 R HN 0.131 nan 8.270 nan 0.000 0.463 273 L N 2.914 124.173 121.223 0.060 0.000 2.325 273 L HA 0.541 4.116 4.340 -1.274 0.000 0.279 273 L C -0.195 176.687 176.870 0.020 0.000 1.054 273 L CA -0.643 54.219 54.840 0.037 0.000 0.804 273 L CB 1.166 43.255 42.059 0.050 0.000 1.200 273 L HN 0.431 nan 8.230 nan 0.000 0.436 274 I N 4.373 124.943 120.570 0.001 0.000 2.382 274 I HA 0.332 3.737 4.170 -1.274 0.000 0.285 274 I C -0.709 175.420 176.117 0.021 0.000 1.007 274 I CA -0.396 60.906 61.300 0.003 0.000 1.142 274 I CB 1.557 39.544 38.000 -0.022 0.000 1.289 274 I HN 0.317 nan 8.210 nan 0.000 0.453 275 I N 4.813 125.405 120.570 0.037 0.000 2.382 275 I HA 0.248 3.653 4.170 -1.274 0.000 0.286 275 I C -0.342 175.861 176.117 0.142 0.000 1.002 275 I CA -0.560 60.803 61.300 0.106 0.000 1.135 275 I CB 1.390 39.495 38.000 0.175 0.000 1.288 275 I HN 0.498 nan 8.210 nan 0.000 0.448 276 D N 4.234 124.702 120.400 0.113 0.000 2.277 276 D HA 0.326 4.202 4.640 -1.274 0.000 0.249 276 D C 1.395 177.693 176.300 -0.004 0.000 1.134 276 D CA -0.150 53.875 54.000 0.042 0.000 0.863 276 D CB 1.925 42.713 40.800 -0.020 0.000 1.143 276 D HN 0.690 nan 8.370 nan 0.000 0.458 277 G N 3.402 112.210 108.800 0.013 0.000 2.442 277 G HA2 -0.224 2.972 3.960 -1.274 0.000 0.219 277 G HA3 -0.224 2.972 3.960 -1.274 0.000 0.219 277 G C 1.545 176.138 174.900 -0.511 0.000 1.141 277 G CA 0.625 45.683 45.100 -0.071 0.000 0.763 277 G HN 0.658 nan 8.290 nan 0.000 0.554 278 I N 0.387 120.439 120.570 -0.863 0.000 2.252 278 I HA -0.092 3.314 4.170 -1.274 0.000 0.245 278 I C 2.681 178.475 176.117 -0.539 0.000 1.102 278 I CA 0.927 61.765 61.300 -0.770 0.000 1.385 278 I CB -0.107 37.405 38.000 -0.812 0.000 1.064 278 I HN 0.063 nan 8.210 nan 0.000 0.414 279 E N 1.052 121.021 120.200 -0.384 0.000 2.072 279 E HA -0.145 3.441 4.350 -1.274 0.000 0.191 279 E C 2.364 178.643 176.600 -0.536 0.000 0.985 279 E CA 1.385 57.579 56.400 -0.345 0.000 0.801 279 E CB -0.342 29.306 29.700 -0.087 0.000 0.750 279 E HN 0.480 nan 8.360 nan 0.000 0.452 280 A N 1.043 123.622 122.820 -0.402 0.000 1.902 280 A HA -0.157 3.398 4.320 -1.274 0.000 0.217 280 A C 2.241 179.624 177.584 -0.335 0.000 1.181 280 A CA 1.151 52.953 52.037 -0.391 0.000 0.623 280 A CB -0.532 18.348 19.000 -0.200 0.000 0.818 280 A HN 0.154 nan 8.150 nan 0.000 0.443 281 L N -0.200 120.868 121.223 -0.259 0.000 2.093 281 L HA -0.100 3.476 4.340 -1.274 0.000 0.208 281 L C 2.354 179.266 176.870 0.070 0.000 1.085 281 L CA 1.833 56.637 54.840 -0.061 0.000 0.755 281 L CB -0.455 41.684 42.059 0.133 0.000 0.904 281 L HN 0.329 nan 8.230 nan 0.000 0.435 282 K N -1.484 118.844 120.400 -0.121 0.000 2.148 282 K HA -0.131 3.425 4.320 -1.274 0.000 0.204 282 K C 2.364 178.814 176.600 -0.250 0.000 1.050 282 K CA 1.300 57.510 56.287 -0.128 0.000 0.942 282 K CB -0.259 32.064 32.500 -0.294 0.000 0.724 282 K HN 0.199 nan 8.250 nan 0.000 0.446 283 S N 0.646 116.123 115.700 -0.372 0.000 2.382 283 S HA -0.112 3.594 4.470 -1.274 0.000 0.228 283 S C 1.654 175.851 174.600 -0.672 0.000 1.027 283 S CA 1.254 59.205 58.200 -0.415 0.000 0.991 283 S CB -0.040 62.901 63.200 -0.432 0.000 0.823 283 S HN 0.371 nan 8.310 nan 0.000 0.469 284 A N -0.496 121.925 122.820 -0.666 0.000 2.415 284 A HA 0.519 4.075 4.320 -1.274 0.000 0.248 284 A C 0.307 177.460 177.584 -0.718 0.000 1.299 284 A CA -0.272 51.156 52.037 -1.014 0.000 0.899 284 A CB -0.751 17.554 19.000 -1.158 0.000 0.997 284 A HN 0.568 nan 8.150 nan 0.000 0.506 285 F N -4.526 115.397 119.950 -0.044 0.000 3.018 285 F HA -0.217 3.546 4.527 -1.274 0.000 0.287 285 F C -0.029 175.682 175.800 -0.147 0.000 0.813 285 F CA -0.178 57.772 58.000 -0.083 0.000 1.209 285 F CB -2.825 36.085 39.000 -0.150 0.000 1.321 285 F HN 0.454 nan 8.300 nan 0.000 0.477 286 W N 1.531 122.843 121.300 0.019 0.000 2.238 286 W HA 0.537 4.433 4.660 -1.274 0.000 0.321 286 W C 0.727 177.215 176.519 -0.052 0.000 1.293 286 W CA -0.002 57.317 57.345 -0.043 0.000 1.204 286 W CB 0.400 29.934 29.460 0.124 0.000 1.167 286 W HN -0.060 nan 8.180 nan 0.000 0.553 287 N N 2.182 120.721 118.700 -0.267 0.000 2.238 287 N HA 0.560 4.535 4.740 -1.274 0.000 0.302 287 N C -1.691 173.310 175.510 -0.849 0.000 1.072 287 N CA -0.756 52.140 53.050 -0.255 0.000 0.792 287 N CB 1.270 39.713 38.487 -0.074 0.000 1.425 287 N HN 0.160 nan 8.380 nan 0.000 0.478 288 F N -0.629 119.180 119.950 -0.235 0.000 2.643 288 F HA 0.249 4.011 4.527 -1.274 0.000 0.314 288 F C 1.784 177.486 175.800 -0.165 0.000 1.096 288 F CA -0.731 57.110 58.000 -0.266 0.000 0.953 288 F CB 1.308 40.000 39.000 -0.513 0.000 1.345 288 F HN 0.447 nan 8.300 nan 0.000 0.468 289 S N -0.314 115.446 115.700 0.100 0.000 2.383 289 S HA -0.048 3.658 4.470 -1.274 0.000 0.229 289 S C 0.571 175.230 174.600 0.099 0.000 1.030 289 S CA 1.028 59.276 58.200 0.080 0.000 1.002 289 S CB -0.456 62.785 63.200 0.068 0.000 0.829 289 S HN 0.765 nan 8.310 nan 0.000 0.467 290 S N -1.171 114.578 115.700 0.083 0.000 2.570 290 S HA 0.645 4.351 4.470 -1.274 0.000 0.270 290 S C -0.711 173.927 174.600 0.064 0.000 1.149 290 S CA -0.911 57.367 58.200 0.130 0.000 0.837 290 S CB 0.426 63.702 63.200 0.126 0.000 1.124 290 S HN 0.053 nan 8.310 nan 0.000 0.465 291 F N 2.403 122.461 119.950 0.181 0.000 2.693 291 F HA 0.292 4.055 4.527 -1.274 0.000 0.303 291 F C 1.666 177.658 175.800 0.319 0.000 1.097 291 F CA 0.243 58.367 58.000 0.205 0.000 1.330 291 F CB 0.287 39.368 39.000 0.134 0.000 1.067 291 F HN 0.756 nan 8.300 nan 0.000 0.565 292 S N 0.001 115.907 115.700 0.343 0.000 2.576 292 S HA -0.020 3.686 4.470 -1.274 0.000 0.272 292 S C 1.326 176.040 174.600 0.190 0.000 1.352 292 S CA -0.627 57.767 58.200 0.322 0.000 1.021 292 S CB 0.910 64.195 63.200 0.142 0.000 0.887 292 S HN 0.271 nan 8.310 nan 0.000 0.542 293 L N 1.159 122.363 121.223 -0.031 0.000 2.046 293 L HA -0.040 3.535 4.340 -1.274 0.000 0.208 293 L C 2.662 179.295 176.870 -0.395 0.000 1.077 293 L CA 1.965 56.428 54.840 -0.629 0.000 0.747 293 L CB -1.244 40.354 42.059 -0.769 0.000 0.896 293 L HN 0.935 nan 8.230 nan 0.000 0.432 294 E N -0.874 119.203 120.200 -0.206 0.000 2.058 294 E HA -0.200 3.386 4.350 -1.274 0.000 0.194 294 E C 1.977 178.491 176.600 -0.143 0.000 0.997 294 E CA 1.949 58.258 56.400 -0.151 0.000 0.801 294 E CB -0.081 29.575 29.700 -0.074 0.000 0.746 294 E HN 0.553 nan 8.360 nan 0.000 0.450 295 T N 0.643 115.128 114.554 -0.114 0.000 2.737 295 T HA -0.096 3.490 4.350 -1.274 0.000 0.265 295 T C 2.081 176.673 174.700 -0.180 0.000 1.038 295 T CA 1.341 63.384 62.100 -0.096 0.000 1.144 295 T CB -0.247 68.596 68.868 -0.041 0.000 0.866 295 T HN -0.005 nan 8.240 nan 0.000 0.434 296 V N 1.703 121.410 119.914 -0.344 0.000 2.427 296 V HA -0.131 3.224 4.120 -1.274 0.000 0.248 296 V C 2.862 178.706 176.094 -0.416 0.000 1.051 296 V CA 1.590 63.503 62.300 -0.644 0.000 1.048 296 V CB -1.159 30.154 31.823 -0.849 0.000 0.666 296 V HN 0.521 nan 8.190 nan 0.000 0.456 297 A N -1.142 121.462 122.820 -0.360 0.000 1.898 297 A HA -0.274 3.282 4.320 -1.274 0.000 0.216 297 A C 2.237 179.733 177.584 -0.148 0.000 1.181 297 A CA 1.909 53.787 52.037 -0.264 0.000 0.620 297 A CB -0.477 18.354 19.000 -0.282 0.000 0.819 297 A HN 0.562 nan 8.150 nan 0.000 0.442 298 Q N -0.558 119.170 119.800 -0.120 0.000 2.050 298 Q HA -0.203 3.373 4.340 -1.274 0.000 0.202 298 Q C 2.025 178.015 176.000 -0.016 0.000 0.980 298 Q CA 1.745 57.514 55.803 -0.057 0.000 0.840 298 Q CB -0.105 28.608 28.738 -0.041 0.000 0.898 298 Q HN 0.793 nan 8.270 nan 0.000 0.424 299 E N -0.174 120.030 120.200 0.008 0.000 2.047 299 E HA -0.193 3.393 4.350 -1.274 0.000 0.191 299 E C 1.959 178.625 176.600 0.110 0.000 0.987 299 E CA 0.948 57.405 56.400 0.095 0.000 0.799 299 E CB 0.075 29.915 29.700 0.233 0.000 0.752 299 E HN 0.205 nan 8.360 nan 0.000 0.449 300 L N -0.166 121.109 121.223 0.086 0.000 2.095 300 L HA -0.069 3.507 4.340 -1.274 0.000 0.204 300 L C 2.026 178.918 176.870 0.036 0.000 1.080 300 L CA 1.430 56.324 54.840 0.088 0.000 0.759 300 L CB -0.204 41.879 42.059 0.039 0.000 0.914 300 L HN 0.092 nan 8.230 nan 0.000 0.439 301 L N -1.532 119.685 121.223 -0.010 0.000 2.766 301 L HA 0.425 4.001 4.340 -1.274 0.000 0.242 301 L C 1.185 178.048 176.870 -0.012 0.000 1.136 301 L CA 0.312 55.144 54.840 -0.014 0.000 0.933 301 L CB -0.232 41.802 42.059 -0.042 0.000 1.241 301 L HN 0.325 nan 8.230 nan 0.000 0.522 302 G N 1.350 110.146 108.800 -0.007 0.000 2.249 302 G HA2 -0.328 2.867 3.960 -1.274 0.000 0.273 302 G HA3 -0.328 2.867 3.960 -1.274 0.000 0.273 302 G C 0.037 174.926 174.900 -0.018 0.000 1.036 302 G CA 0.329 45.426 45.100 -0.005 0.000 0.824 302 G HN 0.423 nan 8.290 nan 0.000 0.504 303 E N 0.645 120.823 120.200 -0.036 0.000 2.052 303 E HA 0.551 4.137 4.350 -1.274 0.000 0.283 303 E C 1.247 177.823 176.600 -0.041 0.000 1.071 303 E CA 0.501 56.874 56.400 -0.046 0.000 0.851 303 E CB 0.020 29.676 29.700 -0.074 0.000 1.066 303 E HN 0.503 nan 8.360 nan 0.000 0.396 313 R N 0.784 121.269 120.500 -0.025 0.000 2.073 313 R HA -0.049 3.527 4.340 -1.274 0.000 0.229 313 R C 2.138 178.410 176.300 -0.047 0.000 1.120 313 R CA 1.489 57.565 56.100 -0.040 0.000 0.967 313 R CB -0.236 30.053 30.300 -0.018 0.000 0.862 313 R HN 0.034 nan 8.270 nan 0.000 0.436 314 M N 1.717 121.303 119.600 -0.023 0.000 2.159 314 M HA -0.116 3.600 4.480 -1.274 0.000 0.263 314 M C 1.056 177.359 176.300 0.005 0.000 1.063 314 M CA 1.716 57.012 55.300 -0.006 0.000 1.110 314 M CB -0.334 32.258 32.600 -0.012 0.000 1.374 314 M HN 0.145 nan 8.290 nan 0.000 0.411 315 D N -0.356 120.041 120.400 -0.004 0.000 2.117 315 D HA -0.171 3.705 4.640 -1.274 0.000 0.197 315 D C 1.940 178.235 176.300 -0.008 0.000 0.987 315 D CA 1.310 55.312 54.000 0.004 0.000 0.829 315 D CB -0.269 40.531 40.800 0.000 0.000 0.961 315 D HN 0.421 nan 8.370 nan 0.000 0.460 316 E N 0.749 120.925 120.200 -0.040 0.000 2.077 316 E HA -0.096 3.490 4.350 -1.274 0.000 0.193 316 E C 2.153 178.697 176.600 -0.095 0.000 0.989 316 E CA 0.664 57.021 56.400 -0.072 0.000 0.800 316 E CB -0.345 29.291 29.700 -0.107 0.000 0.746 316 E HN 0.313 nan 8.360 nan 0.000 0.452 317 I N 0.852 121.362 120.570 -0.100 0.000 2.315 317 I HA -0.237 3.168 4.170 -1.274 0.000 0.248 317 I C 1.624 177.737 176.117 -0.007 0.000 1.117 317 I CA 1.262 62.514 61.300 -0.079 0.000 1.404 317 I CB -0.291 37.706 38.000 -0.004 0.000 1.071 317 I HN 0.074 nan 8.210 nan 0.000 0.419 318 D N 0.568 121.005 120.400 0.061 0.000 2.117 318 D HA -0.192 3.683 4.640 -1.274 0.000 0.197 318 D C 2.181 178.512 176.300 0.052 0.000 0.987 318 D CA 1.020 55.079 54.000 0.098 0.000 0.829 318 D CB -0.332 40.546 40.800 0.131 0.000 0.961 318 D HN 0.279 nan 8.370 nan 0.000 0.460 319 R N 0.889 121.400 120.500 0.019 0.000 2.075 319 R HA -0.045 3.531 4.340 -1.274 0.000 0.232 319 R C 2.206 178.496 176.300 -0.017 0.000 1.126 319 R CA 0.932 57.034 56.100 0.002 0.000 0.963 319 R CB 0.106 30.400 30.300 -0.010 0.000 0.858 319 R HN 0.089 nan 8.270 nan 0.000 0.435 320 R N -0.681 119.800 120.500 -0.031 0.000 2.092 320 R HA -0.141 3.435 4.340 -1.274 0.000 0.231 320 R C 2.185 178.463 176.300 -0.036 0.000 1.119 320 R CA 1.482 57.561 56.100 -0.034 0.000 0.970 320 R CB -0.412 29.865 30.300 -0.039 0.000 0.864 320 R HN 0.228 nan 8.270 nan 0.000 0.440 321 F N 1.446 121.255 119.950 -0.235 0.000 2.146 321 F HA -0.080 3.683 4.527 -1.274 0.000 0.298 321 F C 2.266 177.963 175.800 -0.171 0.000 1.096 321 F CA 1.186 58.995 58.000 -0.319 0.000 1.275 321 F CB -0.282 38.227 39.000 -0.818 0.000 1.008 321 F HN -0.039 nan 8.300 nan 0.000 0.480 322 A N -0.138 122.640 122.820 -0.069 0.000 1.898 322 A HA -0.143 3.412 4.320 -1.274 0.000 0.216 322 A C 1.981 179.494 177.584 -0.119 0.000 1.181 322 A CA 2.011 54.000 52.037 -0.080 0.000 0.620 322 A CB -0.502 18.509 19.000 0.019 0.000 0.819 322 A HN 0.584 nan 8.150 nan 0.000 0.442 323 E N -2.352 117.793 120.200 -0.091 0.000 2.391 323 E HA 0.078 3.663 4.350 -1.274 0.000 0.206 323 E C -0.540 176.018 176.600 -0.069 0.000 0.851 323 E CA 0.215 56.571 56.400 -0.074 0.000 1.059 323 E CB 0.490 30.165 29.700 -0.041 0.000 1.065 323 E HN 0.315 nan 8.360 nan 0.000 0.512 324 D N 0.776 121.139 120.400 -0.062 0.000 2.552 324 D HA 0.172 4.048 4.640 -1.274 0.000 0.285 324 D C 0.285 176.581 176.300 -0.006 0.000 1.206 324 D CA -0.090 53.893 54.000 -0.029 0.000 0.826 324 D CB 0.503 41.296 40.800 -0.012 0.000 1.179 324 D HN -0.135 nan 8.370 nan 0.000 0.508 325 K N 0.517 120.912 120.400 -0.008 0.000 2.152 325 K HA -0.092 3.464 4.320 -1.274 0.000 0.206 325 K C -0.990 175.670 176.600 0.101 0.000 1.048 325 K CA 1.094 57.412 56.287 0.052 0.000 0.933 325 K CB -0.277 32.283 32.500 0.100 0.000 0.721 325 K HN 0.287 nan 8.250 nan 0.000 0.447 326 P HA -0.136 nan 4.420 nan 0.000 0.218 326 P C 0.923 178.312 177.300 0.148 0.000 1.149 326 P CA 1.393 64.561 63.100 0.114 0.000 0.817 326 P CB 0.084 31.823 31.700 0.065 0.000 0.785 327 A N -0.802 122.079 122.820 0.100 0.000 1.929 327 A HA -0.134 3.421 4.320 -1.274 0.000 0.216 327 A C 2.070 179.729 177.584 0.124 0.000 1.176 327 A CA 1.146 53.243 52.037 0.099 0.000 0.628 327 A CB -1.540 17.489 19.000 0.049 0.000 0.816 327 A HN 0.142 nan 8.150 nan 0.000 0.444 328 L N -0.197 121.092 121.223 0.111 0.000 2.056 328 L HA -0.003 3.573 4.340 -1.274 0.000 0.207 328 L C 2.610 179.600 176.870 0.201 0.000 1.078 328 L CA 2.100 57.026 54.840 0.143 0.000 0.749 328 L CB -0.726 41.407 42.059 0.124 0.000 0.901 328 L HN 0.316 nan 8.230 nan 0.000 0.433 329 A N -1.622 121.297 122.820 0.164 0.000 1.933 329 A HA -0.179 3.377 4.320 -1.274 0.000 0.218 329 A C 2.236 179.802 177.584 -0.031 0.000 1.175 329 A CA 2.163 54.265 52.037 0.108 0.000 0.628 329 A CB -1.126 18.020 19.000 0.244 0.000 0.814 329 A HN 0.513 nan 8.150 nan 0.000 0.444 330 T N -1.558 113.077 114.554 0.135 0.000 2.777 330 T HA -0.149 3.436 4.350 -1.274 0.000 0.266 330 T C 1.796 176.487 174.700 -0.015 0.000 1.040 330 T CA 1.610 63.745 62.100 0.058 0.000 1.141 330 T CB -0.418 68.568 68.868 0.196 0.000 0.868 330 T HN 0.643 nan 8.240 nan 0.000 0.444 331 Y N 2.803 123.074 120.300 -0.048 0.000 2.200 331 Y HA -0.130 3.655 4.550 -1.274 0.000 0.290 331 Y C 2.420 178.268 175.900 -0.086 0.000 1.137 331 Y CA 1.474 59.542 58.100 -0.054 0.000 1.163 331 Y CB -0.474 37.975 38.460 -0.018 0.000 0.988 331 Y HN 0.107 nan 8.280 nan 0.000 0.518 332 N N 0.837 119.461 118.700 -0.125 0.000 2.084 332 N HA -0.187 3.788 4.740 -1.274 0.000 0.190 332 N C 1.800 177.124 175.510 -0.309 0.000 1.030 332 N CA 1.774 54.690 53.050 -0.224 0.000 0.849 332 N CB -0.676 37.798 38.487 -0.021 0.000 1.012 332 N HN 0.494 nan 8.380 nan 0.000 0.423 333 L N 1.378 122.387 121.223 -0.356 0.000 2.141 333 L HA 0.009 3.585 4.340 -1.274 0.000 0.209 333 L C 2.294 178.964 176.870 -0.333 0.000 1.094 333 L CA 1.571 56.161 54.840 -0.417 0.000 0.763 333 L CB -0.714 40.919 42.059 -0.710 0.000 0.908 333 L HN 0.167 nan 8.230 nan 0.000 0.437 334 K N -0.622 119.590 120.400 -0.313 0.000 2.097 334 K HA -0.191 3.365 4.320 -1.274 0.000 0.206 334 K C 1.715 178.151 176.600 -0.273 0.000 1.049 334 K CA 1.474 57.611 56.287 -0.250 0.000 0.933 334 K CB -0.070 32.307 32.500 -0.205 0.000 0.717 334 K HN 0.413 nan 8.250 nan 0.000 0.442 335 N N 0.737 119.224 118.700 -0.356 0.000 2.244 335 N HA -0.122 3.854 4.740 -1.274 0.000 0.183 335 N C 1.867 177.231 175.510 -0.244 0.000 1.016 335 N CA 1.021 53.871 53.050 -0.333 0.000 0.866 335 N CB -0.615 37.638 38.487 -0.389 0.000 0.980 335 N HN 0.251 nan 8.380 nan 0.000 0.430 336 C N 1.137 120.302 119.300 -0.224 0.000 2.453 336 C HA -0.028 3.668 4.460 -1.274 0.000 0.277 336 C C 2.463 177.363 174.990 -0.150 0.000 1.262 336 C CA 0.365 59.277 59.018 -0.176 0.000 1.718 336 C CB -0.825 26.800 27.740 -0.191 0.000 2.031 336 C HN 0.526 nan 8.230 nan 0.000 0.480 337 E N 0.673 120.779 120.200 -0.156 0.000 2.150 337 E HA -0.140 3.446 4.350 -1.274 0.000 0.193 337 E C 2.017 178.560 176.600 -0.095 0.000 0.985 337 E CA 0.906 57.243 56.400 -0.106 0.000 0.814 337 E CB -0.177 29.458 29.700 -0.108 0.000 0.752 337 E HN 0.636 nan 8.360 nan 0.000 0.466 338 L N 0.389 121.520 121.223 -0.152 0.000 2.093 338 L HA -0.139 3.437 4.340 -1.274 0.000 0.208 338 L C 2.414 179.179 176.870 -0.175 0.000 1.085 338 L CA 0.590 55.324 54.840 -0.177 0.000 0.755 338 L CB -0.294 41.608 42.059 -0.261 0.000 0.904 338 L HN 0.052 nan 8.230 nan 0.000 0.435 339 V N -0.471 119.337 119.914 -0.176 0.000 2.427 339 V HA -0.250 3.106 4.120 -1.274 0.000 0.248 339 V C 2.545 178.629 176.094 -0.017 0.000 1.051 339 V CA 2.227 64.469 62.300 -0.096 0.000 1.048 339 V CB -0.550 31.234 31.823 -0.065 0.000 0.666 339 V HN 0.473 nan 8.190 nan 0.000 0.456 340 T N -0.915 113.617 114.554 -0.037 0.000 2.777 340 T HA -0.191 3.395 4.350 -1.274 0.000 0.266 340 T C 1.967 176.804 174.700 0.228 0.000 1.040 340 T CA 1.150 63.299 62.100 0.082 0.000 1.141 340 T CB -0.219 68.725 68.868 0.127 0.000 0.868 340 T HN 0.364 nan 8.240 nan 0.000 0.444 341 Q N 0.443 120.335 119.800 0.153 0.000 2.119 341 Q HA 0.110 3.686 4.340 -1.274 0.000 0.201 341 Q C 2.406 178.489 176.000 0.139 0.000 0.972 341 Q CA 0.964 56.869 55.803 0.169 0.000 0.847 341 Q CB -0.487 28.285 28.738 0.058 0.000 0.903 341 Q HN 0.535 nan 8.270 nan 0.000 0.433 342 I N -0.200 120.412 120.570 0.069 0.000 2.286 342 I HA -0.248 3.157 4.170 -1.274 0.000 0.248 342 I C 1.985 178.132 176.117 0.049 0.000 1.115 342 I CA 0.961 62.260 61.300 -0.001 0.000 1.392 342 I CB -0.245 37.705 38.000 -0.084 0.000 1.065 342 I HN 0.063 nan 8.210 nan 0.000 0.418 343 F N 0.126 120.035 119.950 -0.070 0.000 2.102 343 F HA -0.279 3.484 4.527 -1.273 0.000 0.298 343 F C 2.729 178.535 175.800 0.009 0.000 1.105 343 F CA 1.430 59.362 58.000 -0.113 0.000 1.239 343 F CB -0.307 38.530 39.000 -0.271 0.000 0.991 343 F HN 0.141 nan 8.300 nan 0.000 0.474 344 H N -0.265 119.039 119.070 0.391 0.000 2.326 344 H HA -0.140 3.652 4.556 -1.274 0.000 0.301 344 H C 2.128 177.539 175.328 0.138 0.000 1.081 344 H CA 1.660 57.878 56.048 0.283 0.000 1.334 344 H CB -0.437 29.445 29.762 0.200 0.000 1.385 344 H HN 0.100 nan 8.280 nan 0.000 0.504 345 K N 0.871 121.394 120.400 0.205 0.000 2.147 345 K HA -0.095 3.461 4.320 -1.274 0.000 0.205 345 K C 1.900 178.529 176.600 0.048 0.000 1.049 345 K CA 1.758 58.108 56.287 0.105 0.000 0.936 345 K CB -0.109 32.424 32.500 0.055 0.000 0.722 345 K HN 0.368 nan 8.250 nan 0.000 0.446 346 T N -2.001 112.492 114.554 -0.102 0.000 3.107 346 T HA 0.122 3.708 4.350 -1.274 0.000 0.249 346 T C -0.143 174.579 174.700 0.038 0.000 1.096 346 T CA 0.080 62.036 62.100 -0.240 0.000 1.012 346 T CB -0.328 67.966 68.868 -0.957 0.000 0.977 346 T HN 0.371 nan 8.240 nan 0.000 0.527 347 E N -0.171 120.083 120.200 0.091 0.000 2.403 347 E HA -0.220 3.366 4.350 -1.274 0.000 0.241 347 E C 0.555 177.230 176.600 0.125 0.000 1.201 347 E CA 0.348 56.844 56.400 0.159 0.000 0.721 347 E CB -1.655 28.162 29.700 0.194 0.000 1.245 347 E HN 0.493 nan 8.360 nan 0.000 0.392 348 I N -0.203 120.348 120.570 -0.032 0.000 2.315 348 I HA -0.201 3.205 4.170 -1.274 0.000 0.248 348 I C 2.091 178.233 176.117 0.042 0.000 1.117 348 I CA 1.401 62.645 61.300 -0.093 0.000 1.404 348 I CB -0.012 37.701 38.000 -0.479 0.000 1.071 348 I HN 0.210 nan 8.210 nan 0.000 0.419 349 M N 0.806 120.425 119.600 0.030 0.000 2.086 349 M HA -0.039 3.677 4.480 -1.274 0.000 0.261 349 M C -0.615 175.759 176.300 0.124 0.000 1.067 349 M CA 1.875 57.231 55.300 0.094 0.000 1.116 349 M CB -1.735 30.998 32.600 0.221 0.000 1.348 349 M HN 0.029 nan 8.290 nan 0.000 0.407 350 P HA -0.127 nan 4.420 nan 0.000 0.217 350 P C 1.614 178.994 177.300 0.134 0.000 1.150 350 P CA 1.076 64.244 63.100 0.113 0.000 0.832 350 P CB -0.338 31.444 31.700 0.138 0.000 0.787 351 F N 0.248 120.226 119.950 0.046 0.000 2.102 351 F HA -0.144 3.619 4.527 -1.274 0.000 0.298 351 F C 1.836 177.664 175.800 0.047 0.000 1.105 351 F CA 1.458 59.492 58.000 0.056 0.000 1.239 351 F CB -0.872 38.172 39.000 0.073 0.000 0.991 351 F HN -0.268 nan 8.300 nan 0.000 0.474 352 L N -0.384 120.882 121.223 0.072 0.000 2.141 352 L HA -0.200 3.376 4.340 -1.274 0.000 0.209 352 L C 2.337 179.165 176.870 -0.070 0.000 1.094 352 L CA 0.371 55.178 54.840 -0.054 0.000 0.763 352 L CB -0.716 41.408 42.059 0.108 0.000 0.908 352 L HN 0.234 nan 8.230 nan 0.000 0.437 353 L N -0.339 120.857 121.223 -0.044 0.000 2.046 353 L HA -0.172 3.404 4.340 -1.274 0.000 0.208 353 L C 2.688 179.573 176.870 0.025 0.000 1.077 353 L CA 1.658 56.463 54.840 -0.059 0.000 0.747 353 L CB -0.874 41.040 42.059 -0.242 0.000 0.896 353 L HN 0.205 nan 8.230 nan 0.000 0.432 354 E N -0.701 119.469 120.200 -0.050 0.000 2.072 354 E HA -0.223 3.363 4.350 -1.274 0.000 0.191 354 E C 2.325 178.878 176.600 -0.077 0.000 0.985 354 E CA 0.895 57.274 56.400 -0.035 0.000 0.801 354 E CB -0.287 29.381 29.700 -0.053 0.000 0.750 354 E HN 0.401 nan 8.360 nan 0.000 0.452 355 R N 0.642 120.997 120.500 -0.241 0.000 2.096 355 R HA -0.075 3.501 4.340 -1.274 0.000 0.235 355 R C 2.112 178.357 176.300 -0.092 0.000 1.127 355 R CA 1.406 57.355 56.100 -0.252 0.000 0.968 355 R CB -0.128 29.858 30.300 -0.523 0.000 0.861 355 R HN 0.126 nan 8.270 nan 0.000 0.440 356 A N -0.240 122.562 122.820 -0.030 0.000 1.968 356 A HA -0.061 3.495 4.320 -1.274 0.000 0.217 356 A C 2.083 179.679 177.584 0.020 0.000 1.169 356 A CA 1.670 53.716 52.037 0.014 0.000 0.638 356 A CB -0.587 18.474 19.000 0.101 0.000 0.812 356 A HN 0.431 nan 8.150 nan 0.000 0.446 357 T N -0.469 114.138 114.554 0.088 0.000 2.788 357 T HA -0.097 3.489 4.350 -1.274 0.000 0.268 357 T C 1.853 176.583 174.700 0.051 0.000 1.044 357 T CA 1.608 63.754 62.100 0.077 0.000 1.139 357 T CB -0.259 68.701 68.868 0.153 0.000 0.867 357 T HN 0.152 nan 8.240 nan 0.000 0.454 358 V N 3.313 123.254 119.914 0.045 0.000 2.346 358 V HA -0.090 3.266 4.120 -1.274 0.000 0.244 358 V C 2.320 178.460 176.094 0.076 0.000 1.037 358 V CA 1.699 64.037 62.300 0.064 0.000 1.029 358 V CB -0.502 31.349 31.823 0.048 0.000 0.663 358 V HN 0.631 nan 8.190 nan 0.000 0.454 359 N N 0.415 119.139 118.700 0.040 0.000 2.336 359 N HA 0.112 4.088 4.740 -1.274 0.000 0.189 359 N C 1.418 176.920 175.510 -0.013 0.000 1.113 359 N CA 1.093 54.178 53.050 0.059 0.000 0.858 359 N CB 0.533 39.053 38.487 0.056 0.000 0.970 359 N HN 0.470 nan 8.380 nan 0.000 0.471 360 G N -0.005 108.717 108.800 -0.129 0.000 2.184 360 G HA2 -0.270 2.926 3.960 -1.274 0.000 0.264 360 G HA3 -0.270 2.926 3.960 -1.274 0.000 0.264 360 G C -0.163 174.422 174.900 -0.526 0.000 0.975 360 G CA 0.659 45.453 45.100 -0.510 0.000 0.642 360 G HN 0.365 nan 8.290 nan 0.000 0.536 361 L N 0.615 121.700 121.223 -0.230 0.000 2.416 361 L HA 0.504 4.079 4.340 -1.274 0.000 0.262 361 L C -1.830 174.965 176.870 -0.125 0.000 1.093 361 L CA -2.374 52.369 54.840 -0.162 0.000 0.801 361 L CB 0.817 42.825 42.059 -0.085 0.000 1.191 361 L HN -0.152 nan 8.230 nan 0.000 0.459 362 P HA 0.005 nan 4.420 nan 0.000 0.269 362 P C 0.798 178.066 177.300 -0.055 0.000 1.209 362 P CA -0.298 62.761 63.100 -0.068 0.000 0.776 362 P CB 0.694 32.343 31.700 -0.084 0.000 0.876 363 V N 1.628 121.550 119.914 0.013 0.000 2.392 363 V HA -0.256 3.100 4.120 -1.274 0.000 0.249 363 V C 1.264 177.315 176.094 -0.073 0.000 1.059 363 V CA 2.398 64.712 62.300 0.023 0.000 1.051 363 V CB -1.397 30.494 31.823 0.113 0.000 0.658 363 V HN 0.614 nan 8.190 nan 0.000 0.455 364 D N -0.376 119.958 120.400 -0.110 0.000 2.349 364 D HA -0.040 3.836 4.640 -1.274 0.000 0.224 364 D C 1.206 177.257 176.300 -0.415 0.000 1.029 364 D CA 0.087 53.959 54.000 -0.214 0.000 0.879 364 D CB -0.331 40.398 40.800 -0.119 0.000 0.906 364 D HN 0.359 nan 8.370 nan 0.000 0.528 365 R N 1.122 121.423 120.500 -0.332 0.000 2.196 365 R HA 0.136 3.711 4.340 -1.274 0.000 0.340 365 R C -0.473 175.657 176.300 -0.285 0.000 1.043 365 R CA -0.486 55.423 56.100 -0.319 0.000 0.883 365 R CB 0.215 30.393 30.300 -0.204 0.000 1.078 365 R HN 0.121 nan 8.270 nan 0.000 0.462 366 H N 2.298 121.377 119.070 0.015 0.000 2.488 366 H HA 0.369 4.160 4.556 -1.274 0.000 0.347 366 H C 1.142 176.499 175.328 0.048 0.000 1.174 366 H CA 0.364 56.433 56.048 0.034 0.000 1.307 366 H CB 1.682 31.467 29.762 0.038 0.000 1.517 366 H HN 0.908 nan 8.280 nan 0.000 0.554 367 G N 0.486 109.404 108.800 0.196 0.000 2.527 367 G HA2 -0.170 3.025 3.960 -1.274 0.000 0.268 367 G HA3 -0.170 3.025 3.960 -1.274 0.000 0.268 367 G C 0.732 175.704 174.900 0.120 0.000 1.175 367 G CA 0.598 45.788 45.100 0.151 0.000 0.962 367 G HN 1.590 nan 8.290 nan 0.000 0.560 368 G N -1.780 107.088 108.800 0.112 0.000 2.198 368 G HA2 0.003 3.198 3.960 -1.274 0.000 0.257 368 G HA3 0.003 3.198 3.960 -1.274 0.000 0.257 368 G C 1.293 176.280 174.900 0.146 0.000 1.042 368 G CA 1.421 46.582 45.100 0.101 0.000 0.791 368 G HN 1.823 nan 8.290 nan 0.000 0.502 369 S N -1.251 114.549 115.700 0.166 0.000 2.370 369 S HA -0.126 3.579 4.470 -1.274 0.000 0.226 369 S C 2.578 177.346 174.600 0.281 0.000 1.033 369 S CA 1.574 59.904 58.200 0.217 0.000 1.011 369 S CB -0.039 63.274 63.200 0.189 0.000 0.852 369 S HN 0.555 nan 8.310 nan 0.000 0.457 370 V N 1.607 121.652 119.914 0.219 0.000 2.379 370 V HA -0.126 3.230 4.120 -1.274 0.000 0.245 370 V C 2.584 178.832 176.094 0.256 0.000 1.044 370 V CA 1.609 64.043 62.300 0.224 0.000 1.036 370 V CB -1.112 30.804 31.823 0.154 0.000 0.664 370 V HN 0.528 nan 8.190 nan 0.000 0.453 371 A N 0.021 122.954 122.820 0.188 0.000 1.930 371 A HA -0.066 3.490 4.320 -1.274 0.000 0.217 371 A C 2.396 180.096 177.584 0.194 0.000 1.175 371 A CA 1.928 54.054 52.037 0.149 0.000 0.627 371 A CB -0.704 18.343 19.000 0.077 0.000 0.815 371 A HN 0.551 nan 8.150 nan 0.000 0.443 372 A N -1.405 121.548 122.820 0.223 0.000 1.930 372 A HA -0.030 3.525 4.320 -1.274 0.000 0.217 372 A C 2.040 179.836 177.584 0.353 0.000 1.175 372 A CA 1.418 53.604 52.037 0.248 0.000 0.627 372 A CB -0.677 18.463 19.000 0.234 0.000 0.815 372 A HN 0.625 nan 8.150 nan 0.000 0.443 373 F N 0.920 121.041 119.950 0.284 0.000 2.134 373 F HA -0.030 3.729 4.527 -1.281 0.000 0.299 373 F C 2.320 178.260 175.800 0.232 0.000 1.097 373 F CA 1.457 59.599 58.000 0.237 0.000 1.264 373 F CB -0.362 38.768 39.000 0.217 0.000 1.001 373 F HN 0.246 nan 8.300 nan 0.000 0.479 374 G N -1.004 108.114 108.800 0.530 0.000 2.404 374 G HA2 -0.300 2.895 3.960 -1.274 0.000 0.215 374 G HA3 -0.300 2.895 3.960 -1.274 0.000 0.215 374 G C 1.732 176.692 174.900 0.100 0.000 1.174 374 G CA 0.957 46.286 45.100 0.383 0.000 0.780 374 G HN 0.473 nan 8.290 nan 0.000 0.537 375 H N 0.648 119.714 119.070 -0.006 0.000 2.352 375 H HA 0.040 3.831 4.556 -1.274 0.000 0.299 375 H C 2.542 177.870 175.328 -0.000 0.000 1.097 375 H CA 1.354 57.374 56.048 -0.046 0.000 1.311 375 H CB -0.028 29.724 29.762 -0.016 0.000 1.377 375 H HN 0.279 nan 8.280 nan 0.000 0.504 376 L N -0.969 120.349 121.223 0.158 0.000 2.095 376 L HA -0.168 3.408 4.340 -1.274 0.000 0.204 376 L C 2.490 179.346 176.870 -0.023 0.000 1.080 376 L CA 0.920 55.797 54.840 0.062 0.000 0.759 376 L CB -0.708 41.370 42.059 0.031 0.000 0.914 376 L HN 0.194 nan 8.230 nan 0.000 0.439 377 Y N 0.131 120.339 120.300 -0.153 0.000 2.220 377 Y HA -0.182 3.600 4.550 -1.280 0.000 0.291 377 Y C 2.414 178.330 175.900 0.026 0.000 1.129 377 Y CA 1.297 59.306 58.100 -0.151 0.000 1.161 377 Y CB -0.323 37.990 38.460 -0.246 0.000 0.997 377 Y HN -0.073 nan 8.280 nan 0.000 0.522 378 F N 0.840 120.770 119.950 -0.033 0.000 2.087 378 F HA -0.286 3.478 4.527 -1.271 0.000 0.299 378 F C -0.266 175.302 175.800 -0.387 0.000 1.100 378 F CA 1.365 59.236 58.000 -0.215 0.000 1.226 378 F CB -1.547 37.405 39.000 -0.080 0.000 0.983 378 F HN 0.149 nan 8.300 nan 0.000 0.479 379 P HA -0.142 nan 4.420 nan 0.000 0.217 379 P C 1.034 178.230 177.300 -0.173 0.000 1.151 379 P CA 1.620 64.552 63.100 -0.279 0.000 0.828 379 P CB -0.143 30.984 31.700 -0.954 0.000 0.788 380 R N -0.836 119.545 120.500 -0.198 0.000 2.090 380 R HA 0.061 3.637 4.340 -1.274 0.000 0.228 380 R C 2.707 178.863 176.300 -0.240 0.000 1.110 380 R CA 1.115 57.125 56.100 -0.149 0.000 0.973 380 R CB -0.792 29.364 30.300 -0.240 0.000 0.869 380 R HN 0.183 nan 8.270 nan 0.000 0.440 381 M N -0.022 119.339 119.600 -0.398 0.000 2.132 381 M HA -0.184 3.532 4.480 -1.274 0.000 0.263 381 M C 1.474 177.717 176.300 -0.094 0.000 1.065 381 M CA 1.895 57.026 55.300 -0.281 0.000 1.122 381 M CB -0.101 32.348 32.600 -0.251 0.000 1.365 381 M HN 0.262 nan 8.290 nan 0.000 0.411 382 H N -0.728 118.308 119.070 -0.057 0.000 2.387 382 H HA -0.085 3.709 4.556 -1.271 0.000 0.299 382 H C 1.969 177.267 175.328 -0.051 0.000 1.090 382 H CA 1.000 57.011 56.048 -0.061 0.000 1.332 382 H CB 0.039 29.774 29.762 -0.045 0.000 1.386 382 H HN 0.232 nan 8.280 nan 0.000 0.516 383 R N 0.781 121.332 120.500 0.085 0.000 2.120 383 R HA 0.008 3.584 4.340 -1.274 0.000 0.234 383 R C 1.955 178.260 176.300 0.009 0.000 1.123 383 R CA 0.987 57.117 56.100 0.050 0.000 0.975 383 R CB -0.573 29.767 30.300 0.068 0.000 0.866 383 R HN 0.349 nan 8.270 nan 0.000 0.446 384 A N -1.260 121.564 122.820 0.007 0.000 2.251 384 A HA 0.368 3.923 4.320 -1.274 0.000 0.209 384 A C 1.142 178.726 177.584 -0.000 0.000 1.187 384 A CA 0.730 52.779 52.037 0.020 0.000 0.823 384 A CB -0.142 18.884 19.000 0.044 0.000 0.846 384 A HN 0.355 nan 8.150 nan 0.000 0.486 385 G N -2.476 106.277 108.800 -0.078 0.000 2.141 385 G HA2 -0.238 2.958 3.960 -1.274 0.000 0.231 385 G HA3 -0.238 2.958 3.960 -1.274 0.000 0.231 385 G C -0.220 174.360 174.900 -0.533 0.000 0.984 385 G CA 0.271 45.194 45.100 -0.296 0.000 0.660 385 G HN 0.449 nan 8.290 nan 0.000 0.525 386 Y N -0.927 119.345 120.300 -0.047 0.000 2.536 386 Y HA 0.638 4.434 4.550 -1.255 0.000 0.347 386 Y C 0.511 176.408 175.900 -0.004 0.000 1.000 386 Y CA -0.679 57.406 58.100 -0.025 0.000 1.051 386 Y CB 2.275 40.731 38.460 -0.005 0.000 1.259 386 Y HN 0.542 nan 8.280 nan 0.000 0.468 387 V N -0.375 119.595 119.914 0.094 0.000 2.769 387 V HA 0.952 4.308 4.120 -1.274 0.000 0.312 387 V C 0.083 176.097 176.094 -0.134 0.000 1.058 387 V CA -1.364 60.878 62.300 -0.096 0.000 0.952 387 V CB 1.204 32.780 31.823 -0.410 0.000 1.019 387 V HN 0.935 nan 8.190 nan 0.000 0.445 388 A N 4.555 127.192 122.820 -0.305 0.000 2.462 388 A HA 0.631 4.187 4.320 -1.274 0.000 0.243 388 A C -1.950 175.317 177.584 -0.528 0.000 1.076 388 A CA -1.094 50.639 52.037 -0.508 0.000 0.773 388 A CB -0.447 18.165 19.000 -0.647 0.000 1.010 388 A HN 0.854 nan 8.150 nan 0.000 0.493 389 P HA 0.145 nan 4.420 nan 0.000 0.274 389 P C -0.601 176.601 177.300 -0.164 0.000 1.237 389 P CA -0.519 62.318 63.100 -0.438 0.000 0.793 389 P CB 0.716 32.031 31.700 -0.643 0.000 0.977 390 N N 0.358 119.116 118.700 0.096 0.000 2.413 390 N HA 0.301 4.277 4.740 -1.274 0.000 0.266 390 N C 0.185 175.685 175.510 -0.016 0.000 1.238 390 N CA -0.612 52.475 53.050 0.062 0.000 0.972 390 N CB 0.141 38.689 38.487 0.101 0.000 1.210 390 N HN 0.349 nan 8.380 nan 0.000 0.547 391 L N 0.077 121.288 121.223 -0.020 0.000 2.439 391 L HA 0.196 3.772 4.340 -1.274 0.000 0.269 391 L C 1.502 178.364 176.870 -0.012 0.000 1.179 391 L CA 0.191 55.009 54.840 -0.036 0.000 0.828 391 L CB 0.351 42.383 42.059 -0.046 0.000 1.106 391 L HN 0.865 nan 8.230 nan 0.000 0.467 392 G N 1.366 110.158 108.800 -0.013 0.000 2.176 392 G HA2 -0.250 2.945 3.960 -1.274 0.000 0.253 392 G HA3 -0.250 2.945 3.960 -1.274 0.000 0.253 392 G C 0.719 175.654 174.900 0.058 0.000 0.979 392 G CA 0.389 45.493 45.100 0.006 0.000 0.641 392 G HN 0.768 nan 8.290 nan 0.000 0.530 393 E N -0.797 119.458 120.200 0.092 0.000 2.216 393 E HA 0.172 3.758 4.350 -1.274 0.000 0.192 393 E C 0.667 177.366 176.600 0.165 0.000 0.988 393 E CA 0.909 57.395 56.400 0.144 0.000 0.834 393 E CB 0.399 30.209 29.700 0.184 0.000 0.772 393 E HN 0.395 nan 8.360 nan 0.000 0.479 394 V N 3.089 123.117 119.914 0.190 0.000 2.417 394 V HA 0.215 3.571 4.120 -1.274 0.000 0.291 394 V C -2.369 173.895 176.094 0.284 0.000 1.024 394 V CA -2.144 60.294 62.300 0.230 0.000 0.861 394 V CB 1.318 33.283 31.823 0.236 0.000 0.985 394 V HN -0.009 nan 8.190 nan 0.000 0.436 395 P HA 0.192 nan 4.420 nan 0.000 0.267 395 P C -2.525 174.956 177.300 0.302 0.000 1.205 395 P CA -0.975 62.242 63.100 0.194 0.000 0.765 395 P CB -0.237 31.551 31.700 0.147 0.000 0.828 396 P HA 0.090 nan 4.420 nan 0.000 0.268 396 P C -0.790 176.678 177.300 0.280 0.000 1.204 396 P CA 0.508 63.777 63.100 0.283 0.000 0.768 396 P CB 0.451 32.177 31.700 0.044 0.000 0.842 397 H N 0.675 119.911 119.070 0.275 0.000 2.865 397 H HA 0.575 4.375 4.556 -1.259 0.000 0.362 397 H C -0.774 174.658 175.328 0.174 0.000 1.114 397 H CA -0.825 55.321 56.048 0.163 0.000 1.208 397 H CB 1.716 31.546 29.762 0.113 0.000 1.727 397 H HN 0.493 nan 8.280 nan 0.000 0.534 398 A N 2.862 125.872 122.820 0.316 0.000 2.371 398 A HA 0.503 4.058 4.320 -1.274 0.000 0.257 398 A C -0.428 177.317 177.584 0.269 0.000 1.089 398 A CA -0.216 51.970 52.037 0.247 0.000 0.794 398 A CB 0.542 19.636 19.000 0.157 0.000 1.029 398 A HN 0.569 nan 8.150 nan 0.000 0.488 399 S N 2.158 117.971 115.700 0.188 0.000 2.500 399 S HA 0.659 4.365 4.470 -1.274 0.000 0.301 399 S C -2.408 172.274 174.600 0.137 0.000 1.092 399 S CA -0.834 57.446 58.200 0.133 0.000 1.030 399 S CB 1.298 64.561 63.200 0.105 0.000 1.031 399 S HN 0.758 nan 8.310 nan 0.000 0.483 400 P HA 0.276 nan 4.420 nan 0.000 0.269 400 P C 0.302 177.709 177.300 0.179 0.000 1.215 400 P CA -0.227 62.962 63.100 0.149 0.000 0.780 400 P CB 0.335 32.137 31.700 0.171 0.000 0.898 401 G N 0.281 109.221 108.800 0.232 0.000 2.849 401 G HA2 0.552 3.747 3.960 -1.274 0.000 0.174 401 G HA3 0.552 3.747 3.960 -1.274 0.000 0.174 401 G C -0.013 175.094 174.900 0.345 0.000 1.370 401 G CA -0.444 44.813 45.100 0.262 0.000 1.040 401 G HN 0.665 nan 8.290 nan 0.000 0.582 402 G N -1.683 107.293 108.800 0.293 0.000 2.503 402 G HA2 0.403 3.599 3.960 -1.274 0.000 0.257 402 G HA3 0.403 3.599 3.960 -1.274 0.000 0.257 402 G C -1.086 173.997 174.900 0.306 0.000 1.214 402 G CA -0.218 45.068 45.100 0.309 0.000 0.839 402 G HN 0.498 nan 8.290 nan 0.000 0.559 403 Y N 1.663 122.070 120.300 0.178 0.000 2.313 403 Y HA 0.506 4.292 4.550 -1.273 0.000 0.332 403 Y C -0.439 175.462 175.900 0.002 0.000 1.071 403 Y CA -1.169 56.924 58.100 -0.013 0.000 1.169 403 Y CB 1.362 39.782 38.460 -0.067 0.000 1.192 403 Y HN 0.285 nan 8.280 nan 0.000 0.487 404 V N 8.249 127.874 119.914 -0.481 0.000 2.409 404 V HA 0.293 3.649 4.120 -1.274 0.000 0.291 404 V C 0.136 175.801 176.094 -0.714 0.000 1.020 404 V CA -1.017 60.977 62.300 -0.509 0.000 0.848 404 V CB 1.191 32.931 31.823 -0.140 0.000 0.990 404 V HN 0.878 nan 8.190 nan 0.000 0.430 405 M N 3.241 122.397 119.600 -0.739 0.000 2.245 405 M HA 0.169 3.885 4.480 -1.274 0.000 0.344 405 M C 0.024 176.300 176.300 -0.040 0.000 1.170 405 M CA 0.100 55.156 55.300 -0.407 0.000 1.135 405 M CB 0.209 32.651 32.600 -0.263 0.000 1.574 405 M HN 0.565 nan 8.290 nan 0.000 0.452 406 D N 1.819 122.244 120.400 0.042 0.000 2.389 406 D HA 0.130 4.005 4.640 -1.274 0.000 0.247 406 D C -0.054 176.310 176.300 0.107 0.000 1.128 406 D CA 0.197 54.248 54.000 0.085 0.000 0.884 406 D CB 0.866 41.719 40.800 0.089 0.000 1.194 406 D HN 0.569 nan 8.370 nan 0.000 0.441 407 S N 2.207 117.959 115.700 0.088 0.000 2.617 407 S HA 0.340 4.046 4.470 -1.274 0.000 0.283 407 S C 0.089 174.711 174.600 0.037 0.000 1.189 407 S CA -1.005 57.225 58.200 0.049 0.000 1.036 407 S CB 1.960 65.075 63.200 -0.143 0.000 1.014 407 S HN 0.428 nan 8.310 nan 0.000 0.522 408 R N 2.817 123.347 120.500 0.051 0.000 2.233 408 R HA 0.345 3.921 4.340 -1.274 0.000 0.334 408 R C -2.586 173.774 176.300 0.101 0.000 1.037 408 R CA -2.075 54.078 56.100 0.089 0.000 0.920 408 R CB 0.509 30.891 30.300 0.136 0.000 1.137 408 R HN 0.544 nan 8.270 nan 0.000 0.492 409 P HA 0.222 nan 4.420 nan 0.000 0.268 409 P C -0.408 176.911 177.300 0.032 0.000 1.205 409 P CA 0.213 63.360 63.100 0.079 0.000 0.771 409 P CB 1.435 33.241 31.700 0.177 0.000 0.858 410 G N 1.286 109.923 108.800 -0.271 0.000 2.328 410 G HA2 0.387 3.583 3.960 -1.274 0.000 0.295 410 G HA3 0.387 3.583 3.960 -1.274 0.000 0.295 410 G C -2.401 171.931 174.900 -0.947 0.000 1.413 410 G CA -0.675 44.017 45.100 -0.681 0.000 0.817 410 G HN 0.590 nan 8.290 nan 0.000 0.546 411 L N 0.834 121.541 121.223 -0.860 0.000 2.316 411 L HA 0.820 4.395 4.340 -1.274 0.000 0.280 411 L C -1.328 175.279 176.870 -0.438 0.000 1.006 411 L CA -1.196 53.337 54.840 -0.512 0.000 0.836 411 L CB 0.290 42.142 42.059 -0.347 0.000 1.221 411 L HN 0.548 nan 8.230 nan 0.000 0.418 412 Y N 2.035 122.239 120.300 -0.159 0.000 2.602 412 Y HA 0.616 4.402 4.550 -1.273 0.000 0.330 412 Y C -0.024 175.908 175.900 0.052 0.000 1.114 412 Y CA -0.884 57.156 58.100 -0.100 0.000 1.182 412 Y CB 1.409 39.746 38.460 -0.205 0.000 1.305 412 Y HN 0.475 nan 8.280 nan 0.000 0.502 413 D N -0.309 120.297 120.400 0.344 0.000 2.269 413 D HA 0.233 4.109 4.640 -1.274 0.000 0.244 413 D C -0.764 175.773 176.300 0.394 0.000 0.992 413 D CA -0.305 53.873 54.000 0.296 0.000 0.894 413 D CB 1.824 42.798 40.800 0.289 0.000 1.248 413 D HN 0.549 nan 8.370 nan 0.000 0.468 414 S N -0.013 115.892 115.700 0.342 0.000 3.305 414 S HA -0.115 3.591 4.470 -1.274 0.000 0.392 414 S C -0.429 174.350 174.600 0.299 0.000 0.833 414 S CA -0.037 58.403 58.200 0.400 0.000 1.355 414 S CB -0.549 62.889 63.200 0.397 0.000 1.105 414 S HN 0.284 nan 8.310 nan 0.000 0.614 415 V N 5.630 125.651 119.914 0.177 0.000 2.540 415 V HA 0.546 3.902 4.120 -1.274 0.000 0.302 415 V C 0.312 176.388 176.094 -0.029 0.000 1.035 415 V CA -0.748 61.529 62.300 -0.038 0.000 0.873 415 V CB 1.911 33.456 31.823 -0.463 0.000 0.992 415 V HN 0.607 nan 8.190 nan 0.000 0.428 416 L N 4.562 125.718 121.223 -0.113 0.000 2.325 416 L HA 0.696 4.271 4.340 -1.274 0.000 0.278 416 L C -0.701 175.994 176.870 -0.291 0.000 1.023 416 L CA -0.912 53.850 54.840 -0.129 0.000 0.811 416 L CB 2.014 43.983 42.059 -0.150 0.000 1.249 416 L HN 0.324 nan 8.230 nan 0.000 0.431 417 V N 4.289 123.997 119.914 -0.343 0.000 2.409 417 V HA 0.443 3.799 4.120 -1.274 0.000 0.291 417 V C -0.135 175.761 176.094 -0.330 0.000 1.020 417 V CA -0.395 61.570 62.300 -0.558 0.000 0.848 417 V CB 1.715 33.137 31.823 -0.668 0.000 0.990 417 V HN 0.486 nan 8.190 nan 0.000 0.430 418 L N 4.572 125.618 121.223 -0.295 0.000 2.333 418 L HA 0.701 4.276 4.340 -1.274 0.000 0.280 418 L C -0.661 176.078 176.870 -0.218 0.000 1.004 418 L CA -0.294 54.426 54.840 -0.200 0.000 0.820 418 L CB 1.921 43.883 42.059 -0.162 0.000 1.247 418 L HN 0.559 nan 8.230 nan 0.000 0.416 419 D N 1.914 122.188 120.400 -0.209 0.000 2.787 419 D HA 0.240 4.116 4.640 -1.274 0.000 0.246 419 D C -1.130 175.083 176.300 -0.144 0.000 1.150 419 D CA -0.453 53.462 54.000 -0.141 0.000 0.864 419 D CB 1.744 42.469 40.800 -0.124 0.000 1.481 419 D HN 0.217 nan 8.370 nan 0.000 0.509 420 Y N 1.768 122.067 120.300 -0.002 0.000 2.497 420 Y HA 0.049 3.838 4.550 -1.268 0.000 0.334 420 Y C 1.307 177.201 175.900 -0.011 0.000 1.199 420 Y CA 0.341 58.455 58.100 0.023 0.000 1.425 420 Y CB 0.715 39.202 38.460 0.044 0.000 1.291 420 Y HN 0.128 nan 8.280 nan 0.000 0.562 421 K N 2.174 122.672 120.400 0.164 0.000 2.349 421 K HA 0.086 3.642 4.320 -1.274 0.000 0.289 421 K C 0.012 176.599 176.600 -0.022 0.000 1.064 421 K CA 0.211 56.508 56.287 0.017 0.000 0.947 421 K CB 0.162 32.687 32.500 0.042 0.000 1.007 421 K HN 0.843 nan 8.250 nan 0.000 0.478 422 S N 3.229 118.839 115.700 -0.150 0.000 3.405 422 S HA -0.170 3.536 4.470 -1.274 0.000 0.373 422 S C 0.848 175.501 174.600 0.088 0.000 0.939 422 S CA 0.362 58.471 58.200 -0.153 0.000 1.295 422 S CB -1.122 61.759 63.200 -0.532 0.000 0.919 422 S HN 0.753 nan 8.310 nan 0.000 0.535 423 L N 1.609 122.892 121.223 0.100 0.000 1.971 423 L HA -0.144 3.432 4.340 -1.274 0.000 0.215 423 L C 1.963 178.980 176.870 0.244 0.000 1.072 423 L CA 2.133 57.063 54.840 0.150 0.000 0.758 423 L CB -0.492 41.626 42.059 0.098 0.000 0.889 423 L HN 0.600 nan 8.230 nan 0.000 0.433 424 Y N -0.215 120.059 120.300 -0.044 0.000 2.224 424 Y HA -0.085 3.709 4.550 -1.260 0.000 0.289 424 Y C -0.177 175.757 175.900 0.055 0.000 1.146 424 Y CA 0.699 58.758 58.100 -0.068 0.000 1.182 424 Y CB -2.410 35.955 38.460 -0.158 0.000 0.983 424 Y HN 0.317 nan 8.280 nan 0.000 0.524 425 P HA -0.123 nan 4.420 nan 0.000 0.217 425 P C 1.923 179.421 177.300 0.329 0.000 1.151 425 P CA 2.409 65.709 63.100 0.333 0.000 0.828 425 P CB -0.115 31.802 31.700 0.362 0.000 0.788 426 S N -1.326 114.602 115.700 0.381 0.000 2.428 426 S HA -0.067 3.639 4.470 -1.274 0.000 0.230 426 S C 1.942 176.573 174.600 0.052 0.000 1.014 426 S CA 0.748 59.077 58.200 0.215 0.000 0.957 426 S CB -1.433 61.953 63.200 0.310 0.000 0.784 426 S HN 0.029 nan 8.310 nan 0.000 0.499 427 I N 1.098 121.715 120.570 0.078 0.000 2.353 427 I HA -0.061 3.344 4.170 -1.274 0.000 0.248 427 I C 2.265 178.424 176.117 0.069 0.000 1.119 427 I CA 1.050 62.412 61.300 0.104 0.000 1.417 427 I CB -0.249 37.720 38.000 -0.052 0.000 1.078 427 I HN 0.299 nan 8.210 nan 0.000 0.421 428 I N 0.365 120.944 120.570 0.016 0.000 2.226 428 I HA -0.279 3.127 4.170 -1.274 0.000 0.245 428 I C 2.638 178.694 176.117 -0.101 0.000 1.100 428 I CA 1.370 62.645 61.300 -0.042 0.000 1.374 428 I CB -0.344 37.680 38.000 0.040 0.000 1.057 428 I HN 0.154 nan 8.210 nan 0.000 0.413 429 R N -0.094 120.350 120.500 -0.092 0.000 2.066 429 R HA -0.092 3.484 4.340 -1.274 0.000 0.232 429 R C 2.328 178.480 176.300 -0.246 0.000 1.131 429 R CA 1.860 57.853 56.100 -0.178 0.000 0.955 429 R CB -0.605 29.558 30.300 -0.227 0.000 0.851 429 R HN 0.295 nan 8.270 nan 0.000 0.432 430 T N 0.415 114.804 114.554 -0.274 0.000 2.770 430 T HA -0.043 3.543 4.350 -1.274 0.000 0.263 430 T C 1.001 175.345 174.700 -0.594 0.000 1.039 430 T CA 1.183 62.998 62.100 -0.474 0.000 1.142 430 T CB -0.088 68.395 68.868 -0.642 0.000 0.868 430 T HN 0.092 nan 8.240 nan 0.000 0.435 431 F N 1.038 120.862 119.950 -0.210 0.000 2.660 431 F HA 0.449 4.205 4.527 -1.285 0.000 0.302 431 F C 0.579 176.201 175.800 -0.296 0.000 1.103 431 F CA -0.361 57.512 58.000 -0.212 0.000 1.340 431 F CB -0.639 38.240 39.000 -0.201 0.000 1.048 431 F HN -0.060 nan 8.300 nan 0.000 0.551 432 L N 0.212 121.292 121.223 -0.238 0.000 3.678 432 L HA -0.271 3.304 4.340 -1.274 0.000 0.425 432 L C -0.299 176.245 176.870 -0.542 0.000 1.240 432 L CA 0.074 54.684 54.840 -0.383 0.000 0.876 432 L CB -2.261 39.606 42.059 -0.320 0.000 1.766 432 L HN 0.103 nan 8.230 nan 0.000 0.917 433 I N 0.996 121.195 120.570 -0.618 0.000 2.533 433 I HA 0.251 3.656 4.170 -1.274 0.000 0.284 433 I C 0.401 176.274 176.117 -0.407 0.000 1.109 433 I CA 0.758 61.497 61.300 -0.936 0.000 1.412 433 I CB 0.838 38.463 38.000 -0.626 0.000 1.396 433 I HN 0.201 nan 8.210 nan 0.000 0.543 434 D N 6.594 126.849 120.400 -0.241 0.000 2.745 434 D HA 0.277 4.153 4.640 -1.274 0.000 0.221 434 D C -2.365 174.061 176.300 0.210 0.000 1.237 434 D CA -1.122 52.922 54.000 0.073 0.000 0.781 434 D CB 2.177 43.053 40.800 0.127 0.000 1.575 434 D HN -0.001 nan 8.370 nan 0.000 0.482 435 P HA -0.060 nan 4.420 nan 0.000 0.215 435 P C 1.375 178.730 177.300 0.092 0.000 1.157 435 P CA 0.519 63.748 63.100 0.216 0.000 0.859 435 P CB 0.330 32.118 31.700 0.147 0.000 0.786 436 V N -0.065 119.894 119.914 0.075 0.000 2.427 436 V HA -0.140 3.216 4.120 -1.274 0.000 0.248 436 V C 2.552 178.525 176.094 -0.201 0.000 1.051 436 V CA 2.452 64.565 62.300 -0.312 0.000 1.048 436 V CB -1.859 29.877 31.823 -0.145 0.000 0.666 436 V HN 0.173 nan 8.190 nan 0.000 0.456 437 G N -0.059 108.781 108.800 0.066 0.000 2.442 437 G HA2 -0.275 2.921 3.960 -1.274 0.000 0.219 437 G HA3 -0.275 2.921 3.960 -1.274 0.000 0.219 437 G C 1.587 176.585 174.900 0.165 0.000 1.141 437 G CA 1.205 46.418 45.100 0.189 0.000 0.763 437 G HN 0.466 nan 8.290 nan 0.000 0.554 438 L N 0.678 121.997 121.223 0.159 0.000 2.093 438 L HA 0.054 3.630 4.340 -1.274 0.000 0.208 438 L C 2.840 179.610 176.870 -0.167 0.000 1.085 438 L CA 1.277 56.070 54.840 -0.080 0.000 0.755 438 L CB -0.336 41.734 42.059 0.017 0.000 0.904 438 L HN 0.070 nan 8.230 nan 0.000 0.435 439 V N -0.253 119.507 119.914 -0.258 0.000 2.307 439 V HA -0.203 3.153 4.120 -1.274 0.000 0.245 439 V C 2.615 178.568 176.094 -0.234 0.000 1.045 439 V CA 1.804 63.894 62.300 -0.350 0.000 1.024 439 V CB -0.624 30.747 31.823 -0.753 0.000 0.651 439 V HN 0.449 nan 8.190 nan 0.000 0.449 440 E N 0.464 120.543 120.200 -0.201 0.000 2.106 440 E HA -0.123 3.463 4.350 -1.274 0.000 0.192 440 E C 2.314 178.879 176.600 -0.058 0.000 0.984 440 E CA 1.348 57.696 56.400 -0.087 0.000 0.806 440 E CB -0.514 29.166 29.700 -0.032 0.000 0.750 440 E HN 0.624 nan 8.360 nan 0.000 0.458 441 G N 0.792 109.569 108.800 -0.039 0.000 2.402 441 G HA2 -0.237 2.958 3.960 -1.274 0.000 0.216 441 G HA3 -0.237 2.958 3.960 -1.274 0.000 0.216 441 G C 1.519 176.381 174.900 -0.062 0.000 1.162 441 G CA 0.628 45.726 45.100 -0.002 0.000 0.777 441 G HN 0.116 nan 8.290 nan 0.000 0.539 442 M N 1.322 120.864 119.600 -0.097 0.000 2.229 442 M HA 0.208 3.924 4.480 -1.274 0.000 0.264 442 M C 2.738 178.958 176.300 -0.133 0.000 1.063 442 M CA 0.675 55.911 55.300 -0.106 0.000 1.114 442 M CB -0.655 31.889 32.600 -0.094 0.000 1.387 442 M HN 0.285 nan 8.290 nan 0.000 0.420 443 A N -1.112 121.636 122.820 -0.120 0.000 1.968 443 A HA -0.070 3.486 4.320 -1.274 0.000 0.217 443 A C 1.211 178.700 177.584 -0.159 0.000 1.169 443 A CA 1.036 53.004 52.037 -0.116 0.000 0.638 443 A CB -0.207 18.740 19.000 -0.088 0.000 0.812 443 A HN 0.570 nan 8.150 nan 0.000 0.446 444 Q N -0.156 119.534 119.800 -0.184 0.000 3.075 444 Q HA 0.182 3.758 4.340 -1.274 0.000 0.318 444 Q C -2.657 173.176 176.000 -0.279 0.000 0.907 444 Q CA -1.759 53.912 55.803 -0.220 0.000 0.882 444 Q CB 1.537 30.103 28.738 -0.286 0.000 1.386 444 Q HN 0.341 nan 8.270 nan 0.000 0.408 445 P HA -0.014 nan 4.420 nan 0.000 0.230 445 P C -1.391 175.092 177.300 -1.362 0.000 1.791 445 P CA 0.294 62.679 63.100 -1.192 0.000 1.020 445 P CB -0.390 30.573 31.700 -1.228 0.000 1.977 446 D N 0.630 120.540 120.400 -0.817 0.000 2.756 446 D HA 0.285 4.161 4.640 -1.274 0.000 0.226 446 D C -2.143 174.087 176.300 -0.116 0.000 1.186 446 D CA -2.296 51.421 54.000 -0.472 0.000 0.845 446 D CB 0.941 41.623 40.800 -0.197 0.000 1.610 446 D HN -0.175 nan 8.370 nan 0.000 0.465 447 P HA -0.269 nan 4.420 nan 0.000 0.220 447 P C 0.937 178.269 177.300 0.053 0.000 1.144 447 P CA 1.205 64.421 63.100 0.194 0.000 0.800 447 P CB 0.448 32.245 31.700 0.162 0.000 0.772 448 E N -0.584 119.571 120.200 -0.076 0.000 2.072 448 E HA -0.191 3.395 4.350 -1.274 0.000 0.190 448 E C 1.767 178.199 176.600 -0.279 0.000 0.982 448 E CA 0.899 57.164 56.400 -0.226 0.000 0.803 448 E CB -0.184 29.286 29.700 -0.383 0.000 0.755 448 E HN 0.365 nan 8.360 nan 0.000 0.453 449 H N -0.957 118.120 119.070 0.012 0.000 2.582 449 H HA 0.306 4.094 4.556 -1.281 0.000 0.269 449 H C 0.366 175.739 175.328 0.076 0.000 0.962 449 H CA 0.355 56.416 56.048 0.022 0.000 1.230 449 H CB 0.940 30.691 29.762 -0.018 0.000 1.445 449 H HN -0.028 nan 8.280 nan 0.000 0.528 450 S N -0.420 115.419 115.700 0.232 0.000 2.667 450 S HA 0.377 4.083 4.470 -1.274 0.000 0.292 450 S C -0.312 174.531 174.600 0.406 0.000 1.126 450 S CA -0.679 57.715 58.200 0.324 0.000 0.881 450 S CB 3.158 66.584 63.200 0.377 0.000 1.132 450 S HN 0.132 nan 8.310 nan 0.000 0.492 451 T N 0.992 115.766 114.554 0.366 0.000 2.824 451 T HA 0.374 3.960 4.350 -1.274 0.000 0.282 451 T C -0.873 173.838 174.700 0.019 0.000 0.993 451 T CA -0.544 61.681 62.100 0.209 0.000 0.967 451 T CB 0.973 69.934 68.868 0.156 0.000 0.960 451 T HN 0.605 nan 8.240 nan 0.000 0.441 452 E N 2.842 122.764 120.200 -0.463 0.000 2.384 452 E HA 0.478 4.064 4.350 -1.274 0.000 0.266 452 E C 0.502 176.767 176.600 -0.559 0.000 1.012 452 E CA -0.149 55.621 56.400 -1.049 0.000 0.901 452 E CB 0.541 29.406 29.700 -1.393 0.000 0.967 452 E HN 0.791 nan 8.360 nan 0.000 0.435 453 G N 3.010 111.479 108.800 -0.553 0.000 3.099 453 G HA2 0.424 3.620 3.960 -1.274 0.000 0.151 453 G HA3 0.424 3.620 3.960 -1.274 0.000 0.151 453 G C -1.094 173.450 174.900 -0.594 0.000 1.265 453 G CA -0.561 44.361 45.100 -0.296 0.000 0.981 453 G HN 0.460 nan 8.290 nan 0.000 0.601 454 F N -0.929 118.927 119.950 -0.156 0.000 2.557 454 F HA 0.535 4.296 4.527 -1.278 0.000 0.336 454 F C 0.760 176.475 175.800 -0.143 0.000 1.058 454 F CA -0.528 57.377 58.000 -0.158 0.000 0.988 454 F CB 1.535 40.445 39.000 -0.149 0.000 1.275 454 F HN 0.208 nan 8.300 nan 0.000 0.488 455 L N 1.675 122.949 121.223 0.085 0.000 3.843 455 L HA -0.325 3.251 4.340 -1.274 0.000 0.411 455 L C -0.410 176.441 176.870 -0.032 0.000 1.205 455 L CA 0.567 55.407 54.840 -0.001 0.000 0.945 455 L CB -1.653 40.369 42.059 -0.061 0.000 1.929 455 L HN 0.777 nan 8.230 nan 0.000 0.934 456 D N -2.759 117.605 120.400 -0.060 0.000 3.077 456 D HA -0.150 3.726 4.640 -1.274 0.000 0.212 456 D C 0.816 177.082 176.300 -0.057 0.000 1.125 456 D CA 1.431 55.407 54.000 -0.040 0.000 0.970 456 D CB -0.714 40.109 40.800 0.038 0.000 1.110 456 D HN 0.756 nan 8.370 nan 0.000 0.419 457 A N -0.595 122.113 122.820 -0.186 0.000 2.371 457 A HA 0.462 4.018 4.320 -1.274 0.000 0.257 457 A C -0.246 177.023 177.584 -0.525 0.000 1.089 457 A CA 0.164 52.022 52.037 -0.297 0.000 0.794 457 A CB 0.512 19.320 19.000 -0.319 0.000 1.029 457 A HN 0.199 nan 8.150 nan 0.000 0.488 458 W N 0.230 121.166 121.300 -0.607 0.000 2.915 458 W HA 0.652 4.495 4.660 -1.362 0.000 0.337 458 W C -1.340 174.727 176.519 -0.753 0.000 1.102 458 W CA -0.203 56.849 57.345 -0.488 0.000 1.224 458 W CB 1.741 31.058 29.460 -0.237 0.000 1.416 458 W HN 0.489 nan 8.180 nan 0.000 0.503 459 F N 1.601 121.674 119.950 0.205 0.000 2.507 459 F HA 0.380 4.928 4.527 0.035 0.000 0.325 459 F C 0.623 176.515 175.800 0.153 0.000 1.116 459 F CA -1.151 56.925 58.000 0.126 0.000 0.930 459 F CB 1.837 40.867 39.000 0.051 0.000 1.146 459 F HN 0.107 nan 8.300 nan 0.000 0.447 460 S N 2.616 118.497 115.700 0.301 0.000 2.546 460 S HA 0.108 3.814 4.470 -1.274 0.000 0.290 460 S C 1.392 176.171 174.600 0.300 0.000 1.290 460 S CA -0.234 58.113 58.200 0.245 0.000 1.069 460 S CB 0.486 63.791 63.200 0.175 0.000 0.846 460 S HN 0.739 nan 8.310 nan 0.000 0.495 461 R N 2.532 123.175 120.500 0.239 0.000 2.119 461 R HA 0.047 3.623 4.340 -1.274 0.000 0.222 461 R C 1.367 177.820 176.300 0.255 0.000 1.088 461 R CA 0.922 57.154 56.100 0.220 0.000 0.984 461 R CB 0.036 30.421 30.300 0.142 0.000 0.884 461 R HN 0.586 nan 8.270 nan 0.000 0.447 462 E N 0.292 120.584 120.200 0.152 0.000 2.389 462 E HA 0.015 3.601 4.350 -1.274 0.000 0.199 462 E C -0.071 176.420 176.600 -0.181 0.000 0.978 462 E CA 0.463 56.867 56.400 0.008 0.000 0.912 462 E CB 0.498 30.205 29.700 0.012 0.000 0.907 462 E HN -0.107 nan 8.360 nan 0.000 0.494 463 K N 1.506 121.856 120.400 -0.083 0.000 2.478 463 K HA 0.210 3.766 4.320 -1.274 0.000 0.236 463 K C -1.421 175.143 176.600 -0.060 0.000 1.021 463 K CA -0.319 55.889 56.287 -0.132 0.000 1.010 463 K CB -0.127 32.360 32.500 -0.022 0.000 1.331 463 K HN 0.036 nan 8.250 nan 0.000 0.470 464 H N -0.499 118.572 119.070 0.001 0.000 2.990 464 H HA 0.507 4.297 4.556 -1.276 0.000 0.336 464 H C -0.263 175.036 175.328 -0.049 0.000 1.306 464 H CA -1.076 54.970 56.048 -0.003 0.000 1.118 464 H CB 1.064 30.837 29.762 0.017 0.000 1.856 464 H HN 0.221 nan 8.280 nan 0.000 0.538 465 C N -0.482 118.876 119.300 0.097 0.000 2.683 465 C HA 0.138 3.833 4.460 -1.274 0.000 0.491 465 C C 2.284 177.269 174.990 -0.009 0.000 1.342 465 C CA 0.179 59.148 59.018 -0.083 0.000 2.476 465 C CB -0.491 26.947 27.740 -0.504 0.000 3.150 465 C HN 0.804 nan 8.230 nan 0.000 0.551 466 L N 2.422 123.712 121.223 0.112 0.000 2.083 466 L HA 0.010 3.586 4.340 -1.274 0.000 0.209 466 L C -0.959 175.916 176.870 0.009 0.000 1.083 466 L CA 2.353 57.217 54.840 0.041 0.000 0.752 466 L CB -1.398 40.705 42.059 0.074 0.000 0.899 466 L HN 0.144 nan 8.230 nan 0.000 0.433 467 P HA -0.146 nan 4.420 nan 0.000 0.215 467 P C 1.263 178.562 177.300 -0.003 0.000 1.153 467 P CA 1.285 64.363 63.100 -0.037 0.000 0.853 467 P CB 0.118 31.730 31.700 -0.147 0.000 0.788 468 E N -0.696 119.526 120.200 0.038 0.000 2.077 468 E HA -0.130 3.456 4.350 -1.274 0.000 0.193 468 E C 1.987 178.598 176.600 0.017 0.000 0.989 468 E CA 0.999 57.412 56.400 0.022 0.000 0.800 468 E CB -0.983 28.733 29.700 0.027 0.000 0.746 468 E HN 0.245 nan 8.360 nan 0.000 0.452 469 I N -0.161 120.417 120.570 0.012 0.000 2.252 469 I HA -0.232 3.174 4.170 -1.274 0.000 0.245 469 I C 2.065 178.257 176.117 0.124 0.000 1.102 469 I CA 0.648 61.970 61.300 0.036 0.000 1.385 469 I CB -0.176 37.781 38.000 -0.071 0.000 1.064 469 I HN -0.002 nan 8.210 nan 0.000 0.414 470 V N 0.557 120.555 119.914 0.140 0.000 2.343 470 V HA -0.275 3.081 4.120 -1.274 0.000 0.247 470 V C 2.498 178.686 176.094 0.157 0.000 1.051 470 V CA 2.444 64.893 62.300 0.248 0.000 1.036 470 V CB -0.871 31.101 31.823 0.249 0.000 0.654 470 V HN 0.479 nan 8.190 nan 0.000 0.451 471 T N 0.342 114.900 114.554 0.007 0.000 2.788 471 T HA -0.208 3.378 4.350 -1.274 0.000 0.268 471 T C 1.793 176.332 174.700 -0.269 0.000 1.044 471 T CA 1.884 63.872 62.100 -0.187 0.000 1.139 471 T CB -0.460 68.282 68.868 -0.209 0.000 0.867 471 T HN 0.630 nan 8.240 nan 0.000 0.454 472 N N 1.076 119.742 118.700 -0.058 0.000 2.188 472 N HA -0.011 3.965 4.740 -1.274 0.000 0.184 472 N C 1.707 177.275 175.510 0.095 0.000 1.018 472 N CA 1.066 54.140 53.050 0.039 0.000 0.858 472 N CB -0.417 38.126 38.487 0.093 0.000 0.989 472 N HN 0.377 nan 8.380 nan 0.000 0.426 473 I N -0.840 119.810 120.570 0.133 0.000 2.394 473 I HA -0.190 3.216 4.170 -1.274 0.000 0.251 473 I C 1.993 178.214 176.117 0.173 0.000 1.136 473 I CA 0.456 61.851 61.300 0.157 0.000 1.425 473 I CB -0.371 37.736 38.000 0.178 0.000 1.079 473 I HN 0.392 nan 8.210 nan 0.000 0.425 474 W N 2.159 123.420 121.300 -0.064 0.000 2.342 474 W HA -0.218 3.677 4.660 -1.275 0.000 0.297 474 W C 2.357 178.885 176.519 0.015 0.000 1.213 474 W CA 1.798 59.105 57.345 -0.063 0.000 1.251 474 W CB -0.642 28.732 29.460 -0.143 0.000 1.136 474 W HN 0.331 nan 8.180 nan 0.000 0.526 475 H N -1.611 117.674 119.070 0.358 0.000 2.457 475 H HA -0.052 3.741 4.556 -1.272 0.000 0.294 475 H C 2.469 177.888 175.328 0.152 0.000 1.064 475 H CA 0.927 57.115 56.048 0.234 0.000 1.330 475 H CB -0.458 29.401 29.762 0.161 0.000 1.395 475 H HN 0.173 nan 8.280 nan 0.000 0.541 476 G N 0.659 109.601 108.800 0.237 0.000 2.394 476 G HA2 -0.242 2.954 3.960 -1.274 0.000 0.215 476 G HA3 -0.242 2.954 3.960 -1.274 0.000 0.215 476 G C 1.653 176.615 174.900 0.103 0.000 1.165 476 G CA 0.309 45.499 45.100 0.150 0.000 0.784 476 G HN 0.276 nan 8.290 nan 0.000 0.535 477 R N 0.253 120.795 120.500 0.069 0.000 2.115 477 R HA -0.045 3.531 4.340 -1.274 0.000 0.230 477 R C 1.833 178.133 176.300 0.001 0.000 1.111 477 R CA 1.512 57.608 56.100 -0.007 0.000 0.976 477 R CB -0.188 30.037 30.300 -0.124 0.000 0.870 477 R HN 0.154 nan 8.270 nan 0.000 0.445 478 D N 0.174 120.612 120.400 0.062 0.000 2.117 478 D HA -0.164 3.712 4.640 -1.274 0.000 0.198 478 D C 1.672 178.019 176.300 0.079 0.000 0.982 478 D CA 1.245 55.298 54.000 0.089 0.000 0.828 478 D CB -0.042 40.884 40.800 0.211 0.000 0.967 478 D HN 0.296 nan 8.370 nan 0.000 0.464 479 E N 0.594 120.851 120.200 0.094 0.000 2.107 479 E HA -0.033 3.553 4.350 -1.274 0.000 0.191 479 E C 1.834 178.471 176.600 0.061 0.000 0.982 479 E CA 1.238 57.684 56.400 0.076 0.000 0.809 479 E CB -0.231 29.521 29.700 0.086 0.000 0.756 479 E HN 0.134 nan 8.360 nan 0.000 0.459 480 A N 0.679 123.535 122.820 0.059 0.000 1.933 480 A HA -0.173 3.383 4.320 -1.274 0.000 0.218 480 A C 2.052 179.659 177.584 0.038 0.000 1.175 480 A CA 1.680 53.751 52.037 0.056 0.000 0.628 480 A CB -0.375 18.663 19.000 0.064 0.000 0.814 480 A HN 0.195 nan 8.150 nan 0.000 0.444 481 K N -0.875 119.537 120.400 0.021 0.000 2.057 481 K HA -0.067 3.488 4.320 -1.274 0.000 0.206 481 K C 2.348 178.956 176.600 0.013 0.000 1.050 481 K CA 1.083 57.372 56.287 0.003 0.000 0.935 481 K CB -0.162 32.330 32.500 -0.014 0.000 0.715 481 K HN 0.364 nan 8.250 nan 0.000 0.439 482 R N 1.277 121.793 120.500 0.026 0.000 2.127 482 R HA -0.164 3.412 4.340 -1.274 0.000 0.238 482 R C 1.616 177.933 176.300 0.029 0.000 1.134 482 R CA 1.590 57.707 56.100 0.028 0.000 0.975 482 R CB 0.082 30.405 30.300 0.038 0.000 0.865 482 R HN 0.322 nan 8.270 nan 0.000 0.447 483 Q N -1.646 118.175 119.800 0.035 0.000 2.408 483 Q HA 0.098 3.674 4.340 -1.274 0.000 0.205 483 Q C 0.749 176.770 176.000 0.036 0.000 0.919 483 Q CA 0.514 56.340 55.803 0.039 0.000 0.932 483 Q CB 0.911 29.679 28.738 0.050 0.000 1.058 483 Q HN 0.622 nan 8.270 nan 0.000 0.517 484 G N 1.857 110.673 108.800 0.027 0.000 2.157 484 G HA2 -0.240 2.956 3.960 -1.274 0.000 0.248 484 G HA3 -0.240 2.956 3.960 -1.274 0.000 0.248 484 G C 0.014 174.932 174.900 0.030 0.000 0.979 484 G CA 0.078 45.191 45.100 0.021 0.000 0.650 484 G HN 0.279 nan 8.290 nan 0.000 0.529 485 N N 0.833 119.562 118.700 0.047 0.000 2.605 485 N HA 0.286 4.261 4.740 -1.274 0.000 0.258 485 N C 1.516 177.059 175.510 0.056 0.000 1.156 485 N CA 0.102 53.195 53.050 0.072 0.000 1.008 485 N CB 0.341 38.891 38.487 0.106 0.000 1.354 485 N HN 0.516 nan 8.380 nan 0.000 0.509 486 K N 2.395 122.805 120.400 0.016 0.000 2.057 486 K HA -0.043 3.513 4.320 -1.274 0.000 0.206 486 K C -0.888 175.718 176.600 0.011 0.000 1.050 486 K CA 1.190 57.465 56.287 -0.020 0.000 0.935 486 K CB -0.325 32.127 32.500 -0.079 0.000 0.715 486 K HN 0.365 nan 8.250 nan 0.000 0.439 487 P HA -0.175 nan 4.420 nan 0.000 0.215 487 P C 1.226 178.725 177.300 0.331 0.000 1.153 487 P CA 0.909 64.056 63.100 0.078 0.000 0.853 487 P CB 0.135 31.774 31.700 -0.103 0.000 0.788 488 L N -0.737 120.692 121.223 0.344 0.000 2.093 488 L HA -0.077 3.499 4.340 -1.274 0.000 0.208 488 L C 2.413 179.411 176.870 0.213 0.000 1.085 488 L CA 1.863 56.923 54.840 0.367 0.000 0.755 488 L CB -1.589 40.624 42.059 0.257 0.000 0.904 488 L HN -0.083 nan 8.230 nan 0.000 0.435 489 S N -1.201 114.574 115.700 0.125 0.000 2.368 489 S HA -0.270 3.436 4.470 -1.274 0.000 0.225 489 S C 2.038 176.649 174.600 0.017 0.000 1.030 489 S CA 1.565 59.788 58.200 0.039 0.000 0.999 489 S CB -0.269 62.926 63.200 -0.008 0.000 0.844 489 S HN 0.624 nan 8.310 nan 0.000 0.459 490 Q N 1.081 120.901 119.800 0.034 0.000 2.124 490 Q HA 0.130 3.706 4.340 -1.274 0.000 0.202 490 Q C 2.026 178.058 176.000 0.053 0.000 0.977 490 Q CA 1.931 57.685 55.803 -0.082 0.000 0.850 490 Q CB -0.840 27.764 28.738 -0.223 0.000 0.901 490 Q HN 0.590 nan 8.270 nan 0.000 0.429 491 A N -0.300 122.772 122.820 0.421 0.000 1.898 491 A HA -0.098 3.458 4.320 -1.274 0.000 0.216 491 A C 1.880 179.579 177.584 0.192 0.000 1.181 491 A CA 1.315 53.656 52.037 0.506 0.000 0.620 491 A CB -0.567 18.770 19.000 0.562 0.000 0.819 491 A HN 0.417 nan 8.150 nan 0.000 0.442 492 L N 0.029 121.314 121.223 0.104 0.000 2.156 492 L HA -0.083 3.493 4.340 -1.274 0.000 0.208 492 L C 2.400 179.242 176.870 -0.046 0.000 1.095 492 L CA 2.191 57.041 54.840 0.016 0.000 0.770 492 L CB -0.530 41.538 42.059 0.016 0.000 0.914 492 L HN 0.591 nan 8.230 nan 0.000 0.439 493 K N -0.088 120.275 120.400 -0.062 0.000 2.062 493 K HA -0.137 3.419 4.320 -1.274 0.000 0.205 493 K C 2.161 178.704 176.600 -0.095 0.000 1.051 493 K CA 1.456 57.674 56.287 -0.115 0.000 0.941 493 K CB -0.196 32.214 32.500 -0.150 0.000 0.719 493 K HN 0.194 nan 8.250 nan 0.000 0.440 494 I N 1.285 121.818 120.570 -0.062 0.000 2.315 494 I HA -0.219 3.186 4.170 -1.274 0.000 0.248 494 I C 2.222 178.319 176.117 -0.034 0.000 1.117 494 I CA 0.942 62.227 61.300 -0.025 0.000 1.404 494 I CB -0.022 38.005 38.000 0.044 0.000 1.071 494 I HN 0.198 nan 8.210 nan 0.000 0.419 495 I N -0.254 120.275 120.570 -0.067 0.000 2.286 495 I HA -0.327 3.079 4.170 -1.274 0.000 0.248 495 I C 2.420 178.201 176.117 -0.559 0.000 1.115 495 I CA 1.492 62.660 61.300 -0.219 0.000 1.392 495 I CB -0.120 37.776 38.000 -0.174 0.000 1.065 495 I HN 0.241 nan 8.210 nan 0.000 0.418 496 M N -0.248 119.124 119.600 -0.379 0.000 2.156 496 M HA -0.144 3.571 4.480 -1.274 0.000 0.264 496 M C 1.826 178.088 176.300 -0.062 0.000 1.067 496 M CA 1.422 56.524 55.300 -0.330 0.000 1.131 496 M CB -0.370 32.197 32.600 -0.056 0.000 1.368 496 M HN 0.195 nan 8.290 nan 0.000 0.416 497 N N 0.785 119.488 118.700 0.005 0.000 2.309 497 N HA -0.027 3.949 4.740 -1.274 0.000 0.182 497 N C 1.540 177.190 175.510 0.234 0.000 1.018 497 N CA 1.337 54.486 53.050 0.165 0.000 0.876 497 N CB -0.289 38.244 38.487 0.077 0.000 0.972 497 N HN 0.292 nan 8.380 nan 0.000 0.434 498 A N -0.182 122.690 122.820 0.087 0.000 2.119 498 A HA 0.000 3.556 4.320 -1.274 0.000 0.217 498 A C 1.546 179.302 177.584 0.288 0.000 1.153 498 A CA 0.491 52.606 52.037 0.131 0.000 0.692 498 A CB -0.520 18.530 19.000 0.085 0.000 0.799 498 A HN 0.075 nan 8.150 nan 0.000 0.458 499 F N -1.165 118.957 119.950 0.287 0.000 2.186 499 F HA -0.087 3.676 4.527 -1.272 0.000 0.299 499 F C 2.177 178.151 175.800 0.291 0.000 1.090 499 F CA 0.618 58.858 58.000 0.400 0.000 1.307 499 F CB -1.336 37.897 39.000 0.389 0.000 1.019 499 F HN 0.569 nan 8.300 nan 0.000 0.489 500 Y N 0.485 121.017 120.300 0.386 0.000 2.200 500 Y HA 0.038 3.819 4.550 -1.283 0.000 0.290 500 Y C 2.383 178.399 175.900 0.193 0.000 1.137 500 Y CA 1.305 59.555 58.100 0.250 0.000 1.163 500 Y CB -1.061 37.572 38.460 0.287 0.000 0.988 500 Y HN -0.018 nan 8.280 nan 0.000 0.518 501 G N 0.837 109.415 108.800 -0.371 0.000 2.446 501 G HA2 -0.288 2.907 3.960 -1.274 0.000 0.217 501 G HA3 -0.288 2.907 3.960 -1.274 0.000 0.217 501 G C 1.677 176.457 174.900 -0.200 0.000 1.168 501 G CA 2.286 47.119 45.100 -0.446 0.000 0.771 501 G HN 0.628 nan 8.290 nan 0.000 0.551 502 V N -0.677 119.206 119.914 -0.052 0.000 2.594 502 V HA -0.003 3.353 4.120 -1.274 0.000 0.253 502 V C 2.632 178.671 176.094 -0.091 0.000 1.069 502 V CA 1.348 63.615 62.300 -0.054 0.000 1.082 502 V CB -0.582 31.205 31.823 -0.060 0.000 0.680 502 V HN 0.327 nan 8.190 nan 0.000 0.469 503 L N 1.094 122.234 121.223 -0.139 0.000 2.465 503 L HA 0.139 3.715 4.340 -1.274 0.000 0.224 503 L C 2.250 179.115 176.870 -0.009 0.000 1.145 503 L CA 1.142 55.922 54.840 -0.100 0.000 0.834 503 L CB -0.659 41.347 42.059 -0.089 0.000 0.944 503 L HN 0.557 nan 8.230 nan 0.000 0.451 504 G N -1.406 107.400 108.800 0.011 0.000 3.393 504 G HA2 0.062 3.258 3.960 -1.274 0.000 0.255 504 G HA3 0.062 3.258 3.960 -1.274 0.000 0.255 504 G C 0.275 175.409 174.900 0.390 0.000 1.097 504 G CA 0.075 45.268 45.100 0.154 0.000 0.780 504 G HN 0.138 nan 8.290 nan 0.000 0.540 505 T N -0.853 113.905 114.554 0.340 0.000 2.861 505 T HA 0.395 3.981 4.350 -1.274 0.000 0.287 505 T C 1.716 176.266 174.700 -0.249 0.000 1.003 505 T CA 0.350 62.469 62.100 0.032 0.000 0.977 505 T CB 1.492 70.351 68.868 -0.014 0.000 0.996 505 T HN 0.064 nan 8.240 nan 0.000 0.448 506 T N 1.832 115.981 114.554 -0.675 0.000 3.051 506 T HA 0.057 3.643 4.350 -1.274 0.000 0.269 506 T C 2.081 176.599 174.700 -0.303 0.000 1.127 506 T CA 0.823 62.485 62.100 -0.730 0.000 1.107 506 T CB -0.342 68.124 68.868 -0.671 0.000 0.898 506 T HN 0.663 nan 8.240 nan 0.000 0.517 507 A N 0.006 122.709 122.820 -0.195 0.000 2.121 507 A HA 0.203 3.759 4.320 -1.274 0.000 0.218 507 A C 1.463 179.016 177.584 -0.051 0.000 1.154 507 A CA 0.257 52.229 52.037 -0.109 0.000 0.679 507 A CB -0.910 18.051 19.000 -0.064 0.000 0.795 507 A HN 0.682 nan 8.150 nan 0.000 0.458 508 C N 0.555 119.830 119.300 -0.041 0.000 2.319 508 C HA 0.530 4.226 4.460 -1.274 0.000 0.335 508 C C 2.064 177.023 174.990 -0.051 0.000 1.274 508 C CA -0.692 58.314 59.018 -0.020 0.000 1.806 508 C CB 0.544 28.277 27.740 -0.011 0.000 2.329 508 C HN 0.737 nan 8.230 nan 0.000 0.524 509 R N 2.386 122.782 120.500 -0.173 0.000 2.189 509 R HA -0.038 3.538 4.340 -1.274 0.000 0.223 509 R C 0.440 176.473 176.300 -0.445 0.000 1.092 509 R CA 1.783 57.691 56.100 -0.320 0.000 0.989 509 R CB -0.355 29.671 30.300 -0.457 0.000 0.876 509 R HN 0.646 nan 8.270 nan 0.000 0.457 510 F N 0.574 120.447 119.950 -0.128 0.000 2.765 510 F HA 0.208 3.967 4.527 -1.279 0.000 0.302 510 F C 0.484 176.224 175.800 -0.098 0.000 1.111 510 F CA -1.389 56.496 58.000 -0.193 0.000 1.359 510 F CB -0.262 38.528 39.000 -0.350 0.000 1.097 510 F HN -0.095 nan 8.300 nan 0.000 0.577 511 F N 2.461 122.384 119.950 -0.045 0.000 2.612 511 F HA 0.146 3.925 4.527 -1.247 0.000 0.389 511 F C 0.102 175.908 175.800 0.010 0.000 1.055 511 F CA 0.359 58.341 58.000 -0.031 0.000 1.232 511 F CB 0.158 39.131 39.000 -0.045 0.000 1.044 511 F HN -0.026 nan 8.300 nan 0.000 0.560 512 D N 7.702 127.559 120.400 -0.905 0.000 2.871 512 D HA 0.192 4.067 4.640 -1.274 0.000 0.209 512 D C -2.412 173.463 176.300 -0.709 0.000 1.292 512 D CA -1.367 52.186 54.000 -0.745 0.000 0.869 512 D CB 2.480 43.139 40.800 -0.235 0.000 1.663 512 D HN 0.150 nan 8.370 nan 0.000 0.557 513 P HA -0.049 nan 4.420 nan 0.000 0.218 513 P C 1.199 178.367 177.300 -0.220 0.000 1.148 513 P CA 1.020 63.909 63.100 -0.352 0.000 0.822 513 P CB 0.337 31.887 31.700 -0.250 0.000 0.784 514 R N -1.030 119.366 120.500 -0.175 0.000 2.152 514 R HA -0.042 3.534 4.340 -1.274 0.000 0.232 514 R C 2.172 178.500 176.300 0.046 0.000 1.117 514 R CA 0.977 57.038 56.100 -0.065 0.000 0.981 514 R CB -0.755 29.507 30.300 -0.063 0.000 0.870 514 R HN 0.266 nan 8.270 nan 0.000 0.451 515 L N -0.471 120.764 121.223 0.021 0.000 2.068 515 L HA -0.022 3.554 4.340 -1.274 0.000 0.204 515 L C 2.658 179.549 176.870 0.034 0.000 1.076 515 L CA 1.093 55.985 54.840 0.086 0.000 0.753 515 L CB -0.587 41.498 42.059 0.042 0.000 0.910 515 L HN 0.165 nan 8.230 nan 0.000 0.439 516 A N -0.392 122.428 122.820 0.000 0.000 1.902 516 A HA -0.182 3.374 4.320 -1.274 0.000 0.217 516 A C 2.492 180.087 177.584 0.018 0.000 1.181 516 A CA 2.140 54.232 52.037 0.091 0.000 0.623 516 A CB -0.633 18.413 19.000 0.076 0.000 0.818 516 A HN 0.364 nan 8.150 nan 0.000 0.443 517 S N -0.066 115.605 115.700 -0.048 0.000 2.428 517 S HA -0.067 3.639 4.470 -1.274 0.000 0.230 517 S C 2.140 176.630 174.600 -0.183 0.000 1.014 517 S CA 1.182 59.300 58.200 -0.135 0.000 0.957 517 S CB -0.183 62.947 63.200 -0.118 0.000 0.784 517 S HN 0.604 nan 8.310 nan 0.000 0.499 518 S N 1.282 116.972 115.700 -0.018 0.000 2.423 518 S HA 0.112 3.818 4.470 -1.274 0.000 0.231 518 S C 1.637 176.148 174.600 -0.147 0.000 1.014 518 S CA 0.668 58.927 58.200 0.099 0.000 0.965 518 S CB -0.219 63.111 63.200 0.217 0.000 0.785 518 S HN 0.435 nan 8.310 nan 0.000 0.495 519 I N 1.264 121.674 120.570 -0.265 0.000 2.296 519 I HA -0.114 3.292 4.170 -1.274 0.000 0.242 519 I C 2.890 178.565 176.117 -0.736 0.000 1.087 519 I CA 1.505 62.511 61.300 -0.490 0.000 1.393 519 I CB -0.762 36.921 38.000 -0.528 0.000 1.093 519 I HN 0.361 nan 8.210 nan 0.000 0.421 520 T N -0.835 113.295 114.554 -0.706 0.000 2.857 520 T HA -0.108 3.478 4.350 -1.274 0.000 0.266 520 T C 1.842 175.949 174.700 -0.988 0.000 1.048 520 T CA 1.001 62.652 62.100 -0.748 0.000 1.139 520 T CB -0.325 68.292 68.868 -0.419 0.000 0.874 520 T HN 0.164 nan 8.240 nan 0.000 0.455 521 M N 0.232 119.235 119.600 -0.994 0.000 2.319 521 M HA 0.169 3.884 4.480 -1.274 0.000 0.265 521 M C 2.599 178.307 176.300 -0.987 0.000 1.068 521 M CA 1.071 55.606 55.300 -1.275 0.000 1.118 521 M CB -0.193 31.380 32.600 -1.712 0.000 1.395 521 M HN 0.155 nan 8.290 nan 0.000 0.435 522 R N 0.773 120.857 120.500 -0.693 0.000 2.115 522 R HA -0.027 3.549 4.340 -1.274 0.000 0.230 522 R C 2.050 178.136 176.300 -0.357 0.000 1.111 522 R CA 1.749 57.622 56.100 -0.377 0.000 0.976 522 R CB -1.036 28.962 30.300 -0.503 0.000 0.870 522 R HN 0.343 nan 8.270 nan 0.000 0.445 523 G N -1.095 107.453 108.800 -0.419 0.000 2.422 523 G HA2 -0.227 2.969 3.960 -1.274 0.000 0.218 523 G HA3 -0.227 2.969 3.960 -1.274 0.000 0.218 523 G C 1.030 175.916 174.900 -0.023 0.000 1.140 523 G CA 0.933 45.905 45.100 -0.214 0.000 0.775 523 G HN 0.526 nan 8.290 nan 0.000 0.545 524 H N -0.550 118.461 119.070 -0.099 0.000 2.357 524 H HA -0.069 3.727 4.556 -1.267 0.000 0.301 524 H C 2.579 177.876 175.328 -0.051 0.000 1.082 524 H CA 1.241 57.248 56.048 -0.069 0.000 1.342 524 H CB 0.117 29.759 29.762 -0.200 0.000 1.389 524 H HN 0.436 nan 8.280 nan 0.000 0.511 525 Q N 1.228 121.069 119.800 0.069 0.000 2.079 525 Q HA -0.141 3.435 4.340 -1.274 0.000 0.200 525 Q C 2.195 178.318 176.000 0.206 0.000 0.974 525 Q CA 1.394 57.267 55.803 0.116 0.000 0.840 525 Q CB 0.019 28.832 28.738 0.125 0.000 0.898 525 Q HN 0.507 nan 8.270 nan 0.000 0.430 526 I N 0.373 121.034 120.570 0.151 0.000 2.179 526 I HA -0.292 3.114 4.170 -1.274 0.000 0.242 526 I C 2.597 178.904 176.117 0.316 0.000 1.088 526 I CA 1.177 62.615 61.300 0.230 0.000 1.357 526 I CB -0.170 37.725 38.000 -0.176 0.000 1.051 526 I HN 0.384 nan 8.210 nan 0.000 0.409 527 M N 0.597 120.338 119.600 0.235 0.000 2.117 527 M HA -0.189 3.527 4.480 -1.274 0.000 0.262 527 M C 2.329 178.800 176.300 0.286 0.000 1.065 527 M CA 1.868 57.346 55.300 0.297 0.000 1.114 527 M CB -0.206 32.604 32.600 0.350 0.000 1.361 527 M HN -0.026 nan 8.290 nan 0.000 0.408 528 R N -0.994 119.649 120.500 0.238 0.000 2.090 528 R HA -0.127 3.449 4.340 -1.274 0.000 0.228 528 R C 2.254 178.625 176.300 0.117 0.000 1.110 528 R CA 1.429 57.629 56.100 0.166 0.000 0.973 528 R CB -0.378 29.965 30.300 0.071 0.000 0.869 528 R HN 0.412 nan 8.270 nan 0.000 0.440 529 Q N 0.281 120.166 119.800 0.142 0.000 2.172 529 Q HA -0.066 3.510 4.340 -1.274 0.000 0.200 529 Q C 1.581 177.543 176.000 -0.065 0.000 0.964 529 Q CA 1.771 57.581 55.803 0.012 0.000 0.855 529 Q CB -0.058 28.741 28.738 0.102 0.000 0.918 529 Q HN 0.131 nan 8.270 nan 0.000 0.444 530 T N 0.308 114.952 114.554 0.150 0.000 2.777 530 T HA -0.122 3.464 4.350 -1.274 0.000 0.266 530 T C 1.534 176.270 174.700 0.060 0.000 1.040 530 T CA 1.430 63.624 62.100 0.157 0.000 1.141 530 T CB -0.188 68.904 68.868 0.374 0.000 0.868 530 T HN 0.372 nan 8.240 nan 0.000 0.444 531 K N 1.148 121.602 120.400 0.090 0.000 2.097 531 K HA -0.021 3.534 4.320 -1.274 0.000 0.206 531 K C 2.441 179.051 176.600 0.018 0.000 1.049 531 K CA 1.239 57.568 56.287 0.070 0.000 0.933 531 K CB -0.282 32.282 32.500 0.107 0.000 0.717 531 K HN 0.274 nan 8.250 nan 0.000 0.442 532 A N 1.256 124.061 122.820 -0.025 0.000 1.930 532 A HA -0.068 3.488 4.320 -1.274 0.000 0.217 532 A C 2.093 179.605 177.584 -0.121 0.000 1.175 532 A CA 1.039 53.035 52.037 -0.068 0.000 0.627 532 A CB -0.473 18.470 19.000 -0.095 0.000 0.815 532 A HN 0.318 nan 8.150 nan 0.000 0.443 533 L N -0.638 120.464 121.223 -0.200 0.000 2.093 533 L HA -0.141 3.434 4.340 -1.274 0.000 0.208 533 L C 2.377 179.218 176.870 -0.048 0.000 1.085 533 L CA 1.071 55.788 54.840 -0.204 0.000 0.755 533 L CB -0.397 41.450 42.059 -0.353 0.000 0.904 533 L HN 0.374 nan 8.230 nan 0.000 0.435 534 I N -0.547 120.013 120.570 -0.017 0.000 2.353 534 I HA -0.226 3.180 4.170 -1.274 0.000 0.248 534 I C 2.279 178.425 176.117 0.048 0.000 1.119 534 I CA 1.154 62.473 61.300 0.033 0.000 1.417 534 I CB -0.187 37.834 38.000 0.034 0.000 1.078 534 I HN 0.251 nan 8.210 nan 0.000 0.421 535 E N 0.954 121.165 120.200 0.018 0.000 2.204 535 E HA -0.139 3.447 4.350 -1.274 0.000 0.194 535 E C 2.249 178.826 176.600 -0.038 0.000 0.989 535 E CA 1.026 57.429 56.400 0.005 0.000 0.824 535 E CB -0.099 29.608 29.700 0.011 0.000 0.756 535 E HN 0.489 nan 8.360 nan 0.000 0.477 536 A N 0.879 123.668 122.820 -0.051 0.000 2.066 536 A HA -0.114 3.442 4.320 -1.274 0.000 0.218 536 A C 1.883 179.405 177.584 -0.104 0.000 1.157 536 A CA 0.794 52.788 52.037 -0.072 0.000 0.670 536 A CB 0.071 19.029 19.000 -0.069 0.000 0.804 536 A HN 0.040 nan 8.150 nan 0.000 0.453 537 Q N -1.150 118.588 119.800 -0.103 0.000 2.365 537 Q HA 0.181 3.756 4.340 -1.274 0.000 0.203 537 Q C 1.075 176.954 176.000 -0.202 0.000 0.929 537 Q CA 0.689 56.411 55.803 -0.135 0.000 0.948 537 Q CB 0.163 28.849 28.738 -0.087 0.000 1.043 537 Q HN 0.931 nan 8.270 nan 0.000 0.505 538 G N 0.031 108.700 108.800 -0.218 0.000 2.141 538 G HA2 -0.263 2.933 3.960 -1.274 0.000 0.231 538 G HA3 -0.263 2.933 3.960 -1.274 0.000 0.231 538 G C -0.379 174.189 174.900 -0.553 0.000 0.984 538 G CA -0.144 44.725 45.100 -0.385 0.000 0.660 538 G HN 0.292 nan 8.290 nan 0.000 0.525 539 Y N 0.482 120.719 120.300 -0.105 0.000 2.509 539 Y HA 0.616 4.402 4.550 -1.274 0.000 0.341 539 Y C 0.218 176.084 175.900 -0.057 0.000 1.038 539 Y CA -1.176 56.856 58.100 -0.114 0.000 1.089 539 Y CB 1.238 39.624 38.460 -0.123 0.000 1.241 539 Y HN -0.026 nan 8.280 nan 0.000 0.468 540 D N 0.960 121.439 120.400 0.131 0.000 2.302 540 D HA 0.346 4.222 4.640 -1.274 0.000 0.248 540 D C -0.941 175.481 176.300 0.204 0.000 1.094 540 D CA -0.063 54.044 54.000 0.178 0.000 0.897 540 D CB 1.700 42.683 40.800 0.306 0.000 1.200 540 D HN 0.142 nan 8.370 nan 0.000 0.429 541 V N 3.524 123.538 119.914 0.168 0.000 2.357 541 V HA 0.185 3.541 4.120 -1.274 0.000 0.284 541 V C 1.285 177.465 176.094 0.143 0.000 1.018 541 V CA -0.497 61.887 62.300 0.140 0.000 0.841 541 V CB 1.294 33.183 31.823 0.110 0.000 0.991 541 V HN 0.495 nan 8.190 nan 0.000 0.437 542 I N 2.426 123.066 120.570 0.116 0.000 3.645 542 I HA 0.408 3.813 4.170 -1.274 0.000 0.300 542 I C 0.216 176.383 176.117 0.083 0.000 1.260 542 I CA 0.553 61.894 61.300 0.067 0.000 1.365 542 I CB 0.422 38.363 38.000 -0.099 0.000 1.077 542 I HN 0.515 nan 8.210 nan 0.000 0.439 543 Y N 0.905 121.132 120.300 -0.122 0.000 2.677 543 Y HA 0.692 4.479 4.550 -1.272 0.000 0.334 543 Y C -1.012 174.842 175.900 -0.076 0.000 1.196 543 Y CA -0.902 57.032 58.100 -0.277 0.000 1.059 543 Y CB 1.540 39.548 38.460 -0.754 0.000 1.315 543 Y HN 0.070 nan 8.280 nan 0.000 0.455 544 G N 2.396 110.657 108.800 -0.899 0.000 2.691 544 G HA2 0.458 3.653 3.960 -1.274 0.000 0.298 544 G HA3 0.458 3.653 3.960 -1.274 0.000 0.298 544 G C -2.656 171.790 174.900 -0.757 0.000 1.471 544 G CA -0.674 44.125 45.100 -0.500 0.000 0.912 544 G HN 0.531 nan 8.290 nan 0.000 0.553 545 D N 0.792 120.962 120.400 -0.382 0.000 2.479 545 D HA 0.528 4.404 4.640 -1.274 0.000 0.246 545 D C 1.183 177.438 176.300 -0.074 0.000 1.336 545 D CA 0.691 54.533 54.000 -0.265 0.000 0.967 545 D CB 1.228 41.929 40.800 -0.165 0.000 1.275 545 D HN 0.527 nan 8.370 nan 0.000 0.577 546 T N 2.467 116.996 114.554 -0.041 0.000 12.971 546 T HA -0.301 3.285 4.350 -1.274 0.000 0.419 546 T C 0.662 175.419 174.700 0.094 0.000 1.442 546 T CA 2.017 64.149 62.100 0.053 0.000 2.370 546 T CB -1.101 67.765 68.868 -0.003 0.000 2.822 546 T HN 0.645 nan 8.240 nan 0.000 0.691 547 D N 1.585 122.034 120.400 0.081 0.000 2.563 547 D HA 0.383 4.258 4.640 -1.274 0.000 0.237 547 D C 0.244 176.671 176.300 0.212 0.000 1.282 547 D CA 0.508 54.624 54.000 0.194 0.000 0.816 547 D CB 0.045 40.947 40.800 0.170 0.000 1.066 547 D HN 0.731 nan 8.370 nan 0.000 0.501 548 S N -0.827 114.935 115.700 0.103 0.000 2.607 548 S HA 0.727 4.432 4.470 -1.274 0.000 0.303 548 S C -0.582 174.050 174.600 0.053 0.000 1.086 548 S CA -0.489 57.737 58.200 0.044 0.000 0.995 548 S CB 2.524 65.740 63.200 0.028 0.000 1.084 548 S HN 0.016 nan 8.310 nan 0.000 0.507 549 T N 1.906 116.450 114.554 -0.016 0.000 2.991 549 T HA 0.575 4.161 4.350 -1.274 0.000 0.303 549 T C -1.828 172.846 174.700 -0.043 0.000 1.015 549 T CA -0.535 61.599 62.100 0.057 0.000 1.007 549 T CB 0.252 69.147 68.868 0.046 0.000 1.034 549 T HN 0.530 nan 8.240 nan 0.000 0.446 550 F N 3.973 123.846 119.950 -0.130 0.000 2.404 550 F HA 0.578 4.340 4.527 -1.275 0.000 0.354 550 F C 0.189 175.905 175.800 -0.140 0.000 1.122 550 F CA -0.924 56.969 58.000 -0.179 0.000 1.080 550 F CB 1.645 40.507 39.000 -0.229 0.000 1.131 550 F HN 0.204 nan 8.300 nan 0.000 0.471 551 V N 3.216 123.106 119.914 -0.041 0.000 2.347 551 V HA 0.095 3.451 4.120 -1.274 0.000 0.280 551 V C -0.830 175.278 176.094 0.025 0.000 1.021 551 V CA -0.841 61.445 62.300 -0.024 0.000 0.847 551 V CB 0.940 32.675 31.823 -0.146 0.000 0.990 551 V HN 0.694 nan 8.190 nan 0.000 0.444 552 W N 6.297 127.531 121.300 -0.110 0.000 2.387 552 W HA 0.413 4.308 4.660 -1.275 0.000 0.310 552 W C 0.715 177.252 176.519 0.030 0.000 1.181 552 W CA -1.244 56.052 57.345 -0.082 0.000 1.333 552 W CB 0.538 29.959 29.460 -0.065 0.000 1.286 552 W HN 0.547 nan 8.180 nan 0.000 0.455 553 L N 5.352 126.580 121.223 0.009 0.000 2.353 553 L HA -0.158 3.418 4.340 -1.274 0.000 0.220 553 L C 1.748 178.491 176.870 -0.210 0.000 1.133 553 L CA 1.246 55.999 54.840 -0.146 0.000 0.798 553 L CB -0.565 41.209 42.059 -0.475 0.000 0.922 553 L HN 0.616 nan 8.230 nan 0.000 0.445 554 K N -0.138 119.811 120.400 -0.752 0.000 3.291 554 K HA -0.142 3.413 4.320 -1.274 0.000 0.290 554 K C 0.015 176.514 176.600 -0.168 0.000 1.235 554 K CA 0.423 56.066 56.287 -1.073 0.000 0.848 554 K CB -1.135 30.786 32.500 -0.966 0.000 1.295 554 K HN 0.586 nan 8.250 nan 0.000 0.497 555 G N -1.599 107.314 108.800 0.188 0.000 2.466 555 G HA2 0.588 3.784 3.960 -1.274 0.000 0.291 555 G HA3 0.588 3.784 3.960 -1.274 0.000 0.291 555 G C -1.592 173.548 174.900 0.400 0.000 1.460 555 G CA -0.372 44.884 45.100 0.259 0.000 0.791 555 G HN 0.439 nan 8.290 nan 0.000 0.505 556 A N 0.171 123.130 122.820 0.233 0.000 2.328 556 A HA 0.784 4.340 4.320 -1.274 0.000 0.284 556 A C -0.452 177.202 177.584 0.117 0.000 1.160 556 A CA -0.099 52.087 52.037 0.249 0.000 0.818 556 A CB 0.371 19.462 19.000 0.151 0.000 1.087 556 A HN 0.795 nan 8.150 nan 0.000 0.504 557 H N 0.200 119.326 119.070 0.093 0.000 2.797 557 H HA 0.574 4.366 4.556 -1.273 0.000 0.372 557 H C 0.439 175.793 175.328 0.043 0.000 1.168 557 H CA 0.089 56.148 56.048 0.019 0.000 1.163 557 H CB 1.788 31.504 29.762 -0.077 0.000 1.778 557 H HN 0.762 nan 8.280 nan 0.000 0.551 558 S N 0.541 116.306 115.700 0.109 0.000 2.645 558 S HA 0.103 3.809 4.470 -1.274 0.000 0.266 558 S C 0.963 175.603 174.600 0.066 0.000 1.258 558 S CA -0.695 57.560 58.200 0.092 0.000 0.990 558 S CB 1.052 64.278 63.200 0.044 0.000 0.967 558 S HN 0.635 nan 8.310 nan 0.000 0.556 559 E N 0.958 121.218 120.200 0.099 0.000 2.118 559 E HA -0.198 3.388 4.350 -1.274 0.000 0.195 559 E C 1.815 178.423 176.600 0.015 0.000 0.992 559 E CA 1.662 58.120 56.400 0.097 0.000 0.804 559 E CB -0.440 29.324 29.700 0.108 0.000 0.741 559 E HN 0.927 nan 8.360 nan 0.000 0.458 560 E N 0.623 120.828 120.200 0.009 0.000 2.072 560 E HA -0.209 3.377 4.350 -1.274 0.000 0.191 560 E C 2.012 178.587 176.600 -0.042 0.000 0.985 560 E CA 1.316 57.709 56.400 -0.011 0.000 0.801 560 E CB 0.065 29.763 29.700 -0.003 0.000 0.750 560 E HN 0.133 nan 8.360 nan 0.000 0.452 561 E N 0.387 120.566 120.200 -0.035 0.000 2.107 561 E HA -0.092 3.494 4.350 -1.274 0.000 0.191 561 E C 1.723 178.255 176.600 -0.113 0.000 0.982 561 E CA 1.306 57.685 56.400 -0.035 0.000 0.809 561 E CB -0.226 29.493 29.700 0.033 0.000 0.756 561 E HN 0.294 nan 8.360 nan 0.000 0.459 562 A N 0.780 123.482 122.820 -0.197 0.000 1.969 562 A HA 0.079 3.635 4.320 -1.274 0.000 0.218 562 A C 2.405 179.735 177.584 -0.424 0.000 1.169 562 A CA 1.623 53.406 52.037 -0.425 0.000 0.635 562 A CB -0.792 17.703 19.000 -0.842 0.000 0.810 562 A HN 0.419 nan 8.150 nan 0.000 0.445 563 A N -0.477 122.184 122.820 -0.265 0.000 1.970 563 A HA -0.026 3.530 4.320 -1.274 0.000 0.216 563 A C 2.079 179.453 177.584 -0.349 0.000 1.170 563 A CA 1.458 53.330 52.037 -0.276 0.000 0.645 563 A CB -0.280 18.733 19.000 0.022 0.000 0.816 563 A HN 0.486 nan 8.150 nan 0.000 0.447 564 K N -0.367 119.896 120.400 -0.228 0.000 2.057 564 K HA 0.001 3.556 4.320 -1.274 0.000 0.206 564 K C 1.726 178.178 176.600 -0.247 0.000 1.050 564 K CA 1.355 57.531 56.287 -0.185 0.000 0.935 564 K CB -0.290 32.145 32.500 -0.108 0.000 0.715 564 K HN 0.516 nan 8.250 nan 0.000 0.439 565 I N 0.390 120.779 120.570 -0.302 0.000 2.226 565 I HA -0.197 3.208 4.170 -1.274 0.000 0.245 565 I C 2.439 178.281 176.117 -0.460 0.000 1.100 565 I CA 1.299 62.393 61.300 -0.343 0.000 1.374 565 I CB -0.546 37.201 38.000 -0.423 0.000 1.057 565 I HN 0.280 nan 8.210 nan 0.000 0.413 566 G N 0.565 108.953 108.800 -0.686 0.000 2.421 566 G HA2 -0.234 2.962 3.960 -1.274 0.000 0.216 566 G HA3 -0.234 2.962 3.960 -1.274 0.000 0.216 566 G C 1.806 176.347 174.900 -0.599 0.000 1.171 566 G CA 0.489 45.038 45.100 -0.919 0.000 0.775 566 G HN 0.256 nan 8.290 nan 0.000 0.543 567 R N 0.369 120.570 120.500 -0.498 0.000 2.096 567 R HA 0.060 3.635 4.340 -1.274 0.000 0.235 567 R C 2.983 179.205 176.300 -0.130 0.000 1.127 567 R CA 1.207 57.184 56.100 -0.206 0.000 0.968 567 R CB -0.287 29.935 30.300 -0.130 0.000 0.861 567 R HN 0.358 nan 8.270 nan 0.000 0.440 568 A N 0.657 123.387 122.820 -0.150 0.000 1.930 568 A HA -0.084 3.472 4.320 -1.274 0.000 0.217 568 A C 2.088 179.644 177.584 -0.046 0.000 1.175 568 A CA 0.974 52.964 52.037 -0.079 0.000 0.627 568 A CB -0.388 18.561 19.000 -0.086 0.000 0.815 568 A HN 0.184 nan 8.150 nan 0.000 0.443 569 L N 0.014 121.169 121.223 -0.113 0.000 2.056 569 L HA -0.148 3.428 4.340 -1.274 0.000 0.207 569 L C 2.707 179.574 176.870 -0.005 0.000 1.078 569 L CA 1.565 56.367 54.840 -0.063 0.000 0.749 569 L CB -0.552 41.408 42.059 -0.166 0.000 0.901 569 L HN 0.457 nan 8.230 nan 0.000 0.433 570 V N -2.820 117.067 119.914 -0.045 0.000 2.515 570 V HA -0.265 3.091 4.120 -1.274 0.000 0.250 570 V C 2.200 178.318 176.094 0.040 0.000 1.058 570 V CA 1.654 63.947 62.300 -0.012 0.000 1.064 570 V CB -0.689 31.119 31.823 -0.025 0.000 0.675 570 V HN 0.533 nan 8.190 nan 0.000 0.461 571 Q N 0.229 120.054 119.800 0.042 0.000 2.079 571 Q HA -0.284 3.292 4.340 -1.274 0.000 0.200 571 Q C 2.348 178.404 176.000 0.093 0.000 0.974 571 Q CA 2.148 57.989 55.803 0.064 0.000 0.840 571 Q CB -0.367 28.399 28.738 0.046 0.000 0.898 571 Q HN 0.914 nan 8.270 nan 0.000 0.430 572 H N -0.549 118.534 119.070 0.020 0.000 2.353 572 H HA -0.079 3.714 4.556 -1.272 0.000 0.300 572 H C 1.760 177.125 175.328 0.062 0.000 1.090 572 H CA 1.908 57.975 56.048 0.032 0.000 1.327 572 H CB -0.170 29.590 29.762 -0.003 0.000 1.383 572 H HN 0.113 nan 8.280 nan 0.000 0.508 573 V N 1.049 120.926 119.914 -0.061 0.000 2.358 573 V HA -0.239 3.117 4.120 -1.274 0.000 0.246 573 V C 1.966 178.134 176.094 0.124 0.000 1.047 573 V CA 1.928 64.186 62.300 -0.069 0.000 1.035 573 V CB -0.441 31.422 31.823 0.067 0.000 0.658 573 V HN 0.565 nan 8.190 nan 0.000 0.452 574 N N 0.659 119.480 118.700 0.201 0.000 2.244 574 N HA -0.068 3.907 4.740 -1.274 0.000 0.183 574 N C 1.835 177.479 175.510 0.224 0.000 1.016 574 N CA 1.500 54.733 53.050 0.305 0.000 0.866 574 N CB -0.397 38.218 38.487 0.213 0.000 0.980 574 N HN 0.496 nan 8.380 nan 0.000 0.430 575 A N -0.252 122.634 122.820 0.110 0.000 1.930 575 A HA -0.110 3.446 4.320 -1.274 0.000 0.217 575 A C 2.143 179.749 177.584 0.037 0.000 1.175 575 A CA 0.787 52.860 52.037 0.061 0.000 0.627 575 A CB -0.954 18.066 19.000 0.033 0.000 0.815 575 A HN 0.460 nan 8.150 nan 0.000 0.443 576 W N -0.713 120.455 121.300 -0.219 0.000 2.381 576 W HA -0.148 3.746 4.660 -1.276 0.000 0.301 576 W C 1.918 178.310 176.519 -0.212 0.000 1.205 576 W CA 1.640 58.798 57.345 -0.312 0.000 1.285 576 W CB -0.348 28.779 29.460 -0.555 0.000 1.133 576 W HN 0.463 nan 8.180 nan 0.000 0.521 577 W N -0.109 121.336 121.300 0.241 0.000 2.388 577 W HA -0.123 3.775 4.660 -1.270 0.000 0.294 577 W C 2.571 179.052 176.519 -0.063 0.000 1.212 577 W CA 1.464 58.882 57.345 0.121 0.000 1.271 577 W CB -0.818 28.767 29.460 0.208 0.000 1.126 577 W HN -0.081 nan 8.180 nan 0.000 0.535 578 A N 0.169 123.097 122.820 0.180 0.000 1.873 578 A HA -0.257 3.299 4.320 -1.274 0.000 0.215 578 A C 1.872 179.423 177.584 -0.056 0.000 1.186 578 A CA 1.875 53.941 52.037 0.049 0.000 0.616 578 A CB -0.965 18.059 19.000 0.040 0.000 0.823 578 A HN 0.384 nan 8.150 nan 0.000 0.442 579 E N -0.660 119.457 120.200 -0.137 0.000 2.051 579 E HA -0.179 3.407 4.350 -1.274 0.000 0.192 579 E C 1.968 178.399 176.600 -0.281 0.000 0.991 579 E CA 1.795 58.066 56.400 -0.215 0.000 0.799 579 E CB -0.177 29.355 29.700 -0.280 0.000 0.748 579 E HN 0.554 nan 8.360 nan 0.000 0.449 580 T N 1.218 115.506 114.554 -0.444 0.000 2.737 580 T HA -0.114 3.472 4.350 -1.274 0.000 0.265 580 T C 1.720 176.323 174.700 -0.161 0.000 1.038 580 T CA 0.968 62.811 62.100 -0.428 0.000 1.144 580 T CB -0.086 68.318 68.868 -0.774 0.000 0.866 580 T HN 0.074 nan 8.240 nan 0.000 0.434 581 L N 1.218 122.403 121.223 -0.064 0.000 2.217 581 L HA 0.098 3.674 4.340 -1.274 0.000 0.211 581 L C 2.544 179.363 176.870 -0.086 0.000 1.107 581 L CA 1.251 56.058 54.840 -0.056 0.000 0.783 581 L CB -1.110 40.893 42.059 -0.093 0.000 0.919 581 L HN 0.314 nan 8.230 nan 0.000 0.442 582 Q N 0.124 119.871 119.800 -0.087 0.000 2.170 582 Q HA -0.257 3.319 4.340 -1.274 0.000 0.203 582 Q C 2.160 178.118 176.000 -0.070 0.000 0.976 582 Q CA 1.563 57.319 55.803 -0.078 0.000 0.858 582 Q CB 0.042 28.736 28.738 -0.074 0.000 0.907 582 Q HN 0.379 nan 8.270 nan 0.000 0.433 583 K N -0.095 120.256 120.400 -0.081 0.000 2.283 583 K HA -0.117 3.439 4.320 -1.274 0.000 0.202 583 K C 1.518 178.090 176.600 -0.046 0.000 1.048 583 K CA 1.083 57.330 56.287 -0.068 0.000 0.948 583 K CB 0.217 32.664 32.500 -0.088 0.000 0.742 583 K HN 0.278 nan 8.250 nan 0.000 0.458 584 Q N -0.230 119.544 119.800 -0.044 0.000 2.320 584 Q HA 0.146 3.722 4.340 -1.274 0.000 0.201 584 Q C -0.548 175.436 176.000 -0.027 0.000 0.910 584 Q CA -0.070 55.719 55.803 -0.022 0.000 0.946 584 Q CB 0.492 29.226 28.738 -0.008 0.000 1.062 584 Q HN 0.157 nan 8.270 nan 0.000 0.503 585 R N -0.061 120.415 120.500 -0.040 0.000 3.651 585 R HA -0.183 3.393 4.340 -1.274 0.000 0.292 585 R C -0.897 175.370 176.300 -0.055 0.000 1.161 585 R CA 0.342 56.418 56.100 -0.040 0.000 0.787 585 R CB -1.752 28.534 30.300 -0.024 0.000 1.249 585 R HN 0.225 nan 8.270 nan 0.000 0.476 586 L N -0.825 120.345 121.223 -0.087 0.000 2.303 586 L HA 0.522 4.098 4.340 -1.274 0.000 0.266 586 L C 0.509 177.288 176.870 -0.151 0.000 1.011 586 L CA -0.807 53.947 54.840 -0.142 0.000 0.818 586 L CB 2.262 44.184 42.059 -0.229 0.000 1.326 586 L HN -0.121 nan 8.230 nan 0.000 0.435 587 T N 0.403 114.849 114.554 -0.179 0.000 2.779 587 T HA 0.181 3.767 4.350 -1.274 0.000 0.280 587 T C -0.243 174.335 174.700 -0.203 0.000 0.987 587 T CA -0.258 61.750 62.100 -0.154 0.000 0.966 587 T CB 1.475 70.269 68.868 -0.123 0.000 0.933 587 T HN 0.491 nan 8.240 nan 0.000 0.442 588 S N 2.007 117.616 115.700 -0.151 0.000 2.481 588 S HA 0.464 4.170 4.470 -1.274 0.000 0.276 588 S C 0.933 175.452 174.600 -0.135 0.000 1.247 588 S CA -0.570 57.539 58.200 -0.152 0.000 1.053 588 S CB 0.195 63.382 63.200 -0.021 0.000 0.925 588 S HN 0.815 nan 8.310 nan 0.000 0.491 589 A N 5.653 128.358 122.820 -0.192 0.000 2.430 589 A HA 0.395 3.951 4.320 -1.274 0.000 0.243 589 A C 0.401 177.939 177.584 -0.077 0.000 1.254 589 A CA -0.339 51.575 52.037 -0.204 0.000 0.914 589 A CB -0.040 18.749 19.000 -0.351 0.000 0.998 589 A HN 0.762 nan 8.150 nan 0.000 0.515 590 L N 0.993 122.183 121.223 -0.055 0.000 2.410 590 L HA 0.264 3.840 4.340 -1.274 0.000 0.273 590 L C 0.276 177.288 176.870 0.236 0.000 1.144 590 L CA 0.203 55.060 54.840 0.028 0.000 0.863 590 L CB 0.543 42.431 42.059 -0.286 0.000 1.140 590 L HN 0.358 nan 8.230 nan 0.000 0.463 591 E N 3.696 124.123 120.200 0.379 0.000 2.325 591 E HA 0.282 3.868 4.350 -1.274 0.000 0.248 591 E C -1.364 175.361 176.600 0.209 0.000 0.912 591 E CA -0.837 55.747 56.400 0.307 0.000 0.782 591 E CB 1.598 31.479 29.700 0.302 0.000 1.264 591 E HN 0.353 nan 8.360 nan 0.000 0.417 592 L N 3.532 124.757 121.223 0.004 0.000 2.371 592 L HA 0.375 3.951 4.340 -1.274 0.000 0.272 592 L C -0.625 176.152 176.870 -0.155 0.000 1.124 592 L CA 0.386 54.979 54.840 -0.412 0.000 0.816 592 L CB 0.999 42.754 42.059 -0.507 0.000 1.129 592 L HN 0.515 nan 8.230 nan 0.000 0.448 593 E N 2.955 123.053 120.200 -0.171 0.000 2.288 593 E HA 0.181 3.767 4.350 -1.274 0.000 0.268 593 E C -1.770 174.800 176.600 -0.051 0.000 0.885 593 E CA -0.840 55.517 56.400 -0.073 0.000 0.767 593 E CB 1.955 31.612 29.700 -0.072 0.000 1.220 593 E HN 0.472 nan 8.360 nan 0.000 0.427 594 Y N 2.326 122.538 120.300 -0.146 0.000 2.504 594 Y HA 0.112 3.897 4.550 -1.274 0.000 0.351 594 Y C 0.741 176.538 175.900 -0.170 0.000 0.988 594 Y CA -0.058 57.941 58.100 -0.169 0.000 1.239 594 Y CB 0.589 38.961 38.460 -0.146 0.000 1.128 594 Y HN 0.702 nan 8.280 nan 0.000 0.525 595 E N 2.906 122.841 120.200 -0.441 0.000 2.079 595 E HA 0.126 3.711 4.350 -1.274 0.000 0.191 595 E C -0.446 175.754 176.600 -0.667 0.000 0.961 595 E CA 0.893 57.000 56.400 -0.488 0.000 0.823 595 E CB 0.469 29.974 29.700 -0.324 0.000 0.789 595 E HN 0.663 nan 8.360 nan 0.000 0.459 596 T N -0.998 113.154 114.554 -0.670 0.000 2.932 596 T HA 0.189 3.775 4.350 -1.274 0.000 0.318 596 T C -1.533 172.925 174.700 -0.403 0.000 1.265 596 T CA -0.708 61.012 62.100 -0.634 0.000 1.036 596 T CB 1.477 69.890 68.868 -0.760 0.000 1.209 596 T HN 0.215 nan 8.240 nan 0.000 0.484 597 H N 1.970 120.789 119.070 -0.418 0.000 2.638 597 H HA 0.492 4.284 4.556 -1.274 0.000 0.317 597 H C -1.428 173.736 175.328 -0.273 0.000 1.006 597 H CA -0.826 55.097 56.048 -0.208 0.000 1.222 597 H CB 0.342 30.087 29.762 -0.028 0.000 1.419 597 H HN 0.349 nan 8.280 nan 0.000 0.489 598 F N 5.117 124.908 119.950 -0.266 0.000 2.404 598 F HA 0.093 3.855 4.527 -1.274 0.000 0.358 598 F C 1.709 177.222 175.800 -0.478 0.000 1.120 598 F CA -0.696 57.111 58.000 -0.321 0.000 1.144 598 F CB 0.683 39.619 39.000 -0.106 0.000 1.133 598 F HN 0.685 nan 8.300 nan 0.000 0.495 599 C N 1.932 120.996 119.300 -0.394 0.000 2.446 599 C HA 0.249 3.944 4.460 -1.274 0.000 0.279 599 C C 0.893 175.851 174.990 -0.054 0.000 1.366 599 C CA 0.062 58.916 59.018 -0.274 0.000 1.763 599 C CB -0.526 27.091 27.740 -0.204 0.000 1.929 599 C HN 0.552 nan 8.230 nan 0.000 0.509 600 R N -0.181 120.235 120.500 -0.140 0.000 2.686 600 R HA 0.692 4.268 4.340 -1.274 0.000 0.283 600 R C -1.806 174.330 176.300 -0.274 0.000 0.978 600 R CA -0.544 55.426 56.100 -0.216 0.000 0.897 600 R CB 1.822 31.838 30.300 -0.473 0.000 1.192 600 R HN 0.445 nan 8.270 nan 0.000 0.457 601 F N 2.034 121.829 119.950 -0.259 0.000 2.588 601 F HA 0.446 4.209 4.527 -1.274 0.000 0.314 601 F C -1.672 174.104 175.800 -0.040 0.000 1.134 601 F CA -1.032 56.820 58.000 -0.246 0.000 0.961 601 F CB 1.509 40.399 39.000 -0.182 0.000 1.239 601 F HN 0.357 nan 8.300 nan 0.000 0.448 602 L N 7.096 127.883 121.223 -0.727 0.000 2.333 602 L HA 0.718 4.294 4.340 -1.274 0.000 0.280 602 L C -1.401 174.992 176.870 -0.794 0.000 1.004 602 L CA -0.590 53.903 54.840 -0.579 0.000 0.820 602 L CB 1.486 43.306 42.059 -0.398 0.000 1.247 602 L HN 0.696 nan 8.230 nan 0.000 0.416 603 M N 9.293 128.572 119.600 -0.535 0.000 2.043 603 M HA 0.594 4.310 4.480 -1.274 0.000 0.322 603 M C -2.627 173.478 176.300 -0.325 0.000 0.962 603 M CA -2.659 52.414 55.300 -0.378 0.000 0.927 603 M CB 1.137 33.653 32.600 -0.139 0.000 1.466 603 M HN 0.337 nan 8.290 nan 0.000 0.412 604 P HA 0.310 nan 4.420 nan 0.000 0.274 604 P C -0.797 176.545 177.300 0.069 0.000 1.256 604 P CA -0.206 62.897 63.100 0.005 0.000 0.795 604 P CB 0.421 32.121 31.700 -0.001 0.000 1.038 605 T N -1.853 112.798 114.554 0.161 0.000 2.927 605 T HA 0.501 4.087 4.350 -1.274 0.000 0.281 605 T C 0.719 175.434 174.700 0.025 0.000 0.998 605 T CA -0.905 61.240 62.100 0.075 0.000 1.019 605 T CB 0.430 69.323 68.868 0.040 0.000 1.061 605 T HN 0.219 nan 8.240 nan 0.000 0.518 606 I N 1.455 122.031 120.570 0.009 0.000 2.779 606 I HA 0.171 3.577 4.170 -1.274 0.000 0.285 606 I C 1.293 177.411 176.117 0.001 0.000 1.134 606 I CA -0.726 60.576 61.300 0.003 0.000 1.398 606 I CB 0.634 38.639 38.000 0.007 0.000 1.404 606 I HN 0.505 nan 8.210 nan 0.000 0.587 607 R N 3.690 124.192 120.500 0.002 0.000 2.538 607 R HA 0.025 3.601 4.340 -1.274 0.000 0.282 607 R C 0.918 177.216 176.300 -0.004 0.000 1.009 607 R CA 0.966 57.065 56.100 -0.001 0.000 1.063 607 R CB -0.061 30.245 30.300 0.010 0.000 0.945 607 R HN 1.032 nan 8.270 nan 0.000 0.414 608 G N 0.720 109.512 108.800 -0.014 0.000 2.155 608 G HA2 -0.293 2.903 3.960 -1.274 0.000 0.257 608 G HA3 -0.293 2.903 3.960 -1.274 0.000 0.257 608 G C 0.012 174.903 174.900 -0.015 0.000 0.983 608 G CA 0.502 45.593 45.100 -0.014 0.000 0.676 608 G HN 0.914 nan 8.290 nan 0.000 0.528 609 A N -1.457 121.352 122.820 -0.018 0.000 2.564 609 A HA 0.746 4.302 4.320 -1.274 0.000 0.288 609 A C 0.373 177.943 177.584 -0.023 0.000 1.164 609 A CA 0.388 52.416 52.037 -0.015 0.000 0.712 609 A CB 0.608 19.607 19.000 -0.002 0.000 1.303 609 A HN -0.048 nan 8.150 nan 0.000 0.418 610 D N 0.367 120.757 120.400 -0.016 0.000 2.348 610 D HA 0.084 3.959 4.640 -1.274 0.000 0.211 610 D C 0.350 176.654 176.300 0.007 0.000 0.998 610 D CA 0.967 54.957 54.000 -0.017 0.000 0.873 610 D CB -0.007 40.784 40.800 -0.015 0.000 0.925 610 D HN 0.540 nan 8.370 nan 0.000 0.524 611 T N 0.606 115.167 114.554 0.012 0.000 2.940 611 T HA 0.334 3.920 4.350 -1.274 0.000 0.309 611 T C 0.838 175.552 174.700 0.023 0.000 1.056 611 T CA -0.172 61.941 62.100 0.022 0.000 1.137 611 T CB 1.262 70.142 68.868 0.021 0.000 0.976 611 T HN 0.015 nan 8.240 nan 0.000 0.547 612 G N 1.426 110.240 108.800 0.024 0.000 2.442 612 G HA2 0.404 3.600 3.960 -1.274 0.000 0.249 612 G HA3 0.404 3.600 3.960 -1.274 0.000 0.249 612 G C 0.116 175.003 174.900 -0.022 0.000 1.263 612 G CA -0.514 44.588 45.100 0.003 0.000 0.846 612 G HN 0.695 nan 8.290 nan 0.000 0.555 613 S N 0.297 115.963 115.700 -0.056 0.000 2.632 613 S HA 0.485 4.191 4.470 -1.274 0.000 0.267 613 S C 0.217 174.739 174.600 -0.130 0.000 1.276 613 S CA -0.467 57.694 58.200 -0.065 0.000 0.998 613 S CB 0.639 63.802 63.200 -0.063 0.000 0.953 613 S HN 0.505 nan 8.310 nan 0.000 0.547 614 K N 1.439 121.804 120.400 -0.058 0.000 2.267 614 K HA 0.420 3.976 4.320 -1.274 0.000 0.246 614 K C -0.228 176.391 176.600 0.033 0.000 0.954 614 K CA -0.872 55.415 56.287 -0.000 0.000 0.824 614 K CB 1.221 33.790 32.500 0.115 0.000 1.167 614 K HN 0.663 nan 8.250 nan 0.000 0.431 615 K N 0.998 121.496 120.400 0.162 0.000 3.274 615 K HA -0.227 3.329 4.320 -1.274 0.000 0.300 615 K C -0.637 175.982 176.600 0.031 0.000 1.230 615 K CA 1.053 57.445 56.287 0.175 0.000 0.884 615 K CB -0.872 31.702 32.500 0.124 0.000 1.242 615 K HN 0.573 nan 8.250 nan 0.000 0.467 616 R N 0.106 120.595 120.500 -0.018 0.000 2.514 616 R HA 0.449 4.025 4.340 -1.274 0.000 0.296 616 R C -0.791 175.469 176.300 -0.066 0.000 1.012 616 R CA -0.723 55.310 56.100 -0.112 0.000 0.897 616 R CB 1.350 31.590 30.300 -0.100 0.000 1.184 616 R HN 0.210 nan 8.270 nan 0.000 0.440 617 Y N -1.252 118.943 120.300 -0.175 0.000 2.741 617 Y HA 0.773 4.558 4.550 -1.274 0.000 0.339 617 Y C -1.925 173.799 175.900 -0.294 0.000 1.226 617 Y CA -1.309 56.600 58.100 -0.318 0.000 1.072 617 Y CB 1.171 39.393 38.460 -0.396 0.000 1.331 617 Y HN 0.669 nan 8.280 nan 0.000 0.453 618 A N 0.579 123.227 122.820 -0.287 0.000 2.539 618 A HA 0.995 4.551 4.320 -1.274 0.000 0.296 618 A C -0.665 176.574 177.584 -0.574 0.000 1.073 618 A CA -0.405 51.398 52.037 -0.389 0.000 0.700 618 A CB 1.528 20.389 19.000 -0.231 0.000 1.296 618 A HN 1.952 nan 8.150 nan 0.000 0.405 619 G N -0.717 107.679 108.800 -0.674 0.000 2.660 619 G HA2 0.630 3.826 3.960 -1.274 0.000 0.290 619 G HA3 0.630 3.826 3.960 -1.274 0.000 0.290 619 G C -2.183 172.369 174.900 -0.580 0.000 1.432 619 G CA -0.533 44.009 45.100 -0.930 0.000 0.807 619 G HN 1.222 nan 8.290 nan 0.000 0.485 620 L N 0.465 121.385 121.223 -0.504 0.000 2.341 620 L HA 0.767 4.343 4.340 -1.274 0.000 0.278 620 L C -0.683 176.185 176.870 -0.004 0.000 1.005 620 L CA -0.741 53.937 54.840 -0.271 0.000 0.818 620 L CB 1.392 43.170 42.059 -0.468 0.000 1.259 620 L HN 0.435 nan 8.230 nan 0.000 0.418 621 I N 3.804 124.375 120.570 0.001 0.000 2.404 621 I HA 0.398 3.803 4.170 -1.274 0.000 0.293 621 I C -0.639 175.434 176.117 -0.073 0.000 0.992 621 I CA -0.761 60.493 61.300 -0.077 0.000 1.149 621 I CB 1.927 39.864 38.000 -0.106 0.000 1.315 621 I HN 0.569 nan 8.210 nan 0.000 0.446 622 Q N 6.237 125.984 119.800 -0.087 0.000 2.314 622 Q HA 0.320 3.896 4.340 -1.274 0.000 0.259 622 Q C -1.286 174.695 176.000 -0.030 0.000 0.951 622 Q CA -0.246 55.533 55.803 -0.040 0.000 0.909 622 Q CB 1.081 29.808 28.738 -0.019 0.000 1.236 622 Q HN 0.502 nan 8.270 nan 0.000 0.444 623 E N 3.728 123.915 120.200 -0.022 0.000 2.235 623 E HA 0.471 4.057 4.350 -1.274 0.000 0.252 623 E C 0.183 176.779 176.600 -0.008 0.000 0.886 623 E CA -0.353 56.035 56.400 -0.021 0.000 0.767 623 E CB 1.201 30.883 29.700 -0.031 0.000 1.205 623 E HN 0.936 nan 8.360 nan 0.000 0.421 624 G N 4.502 113.301 108.800 -0.001 0.000 2.591 624 G HA2 -0.349 2.846 3.960 -1.274 0.000 0.298 624 G HA3 -0.349 2.846 3.960 -1.274 0.000 0.298 624 G C 0.212 175.116 174.900 0.007 0.000 1.195 624 G CA 0.451 45.553 45.100 0.004 0.000 0.989 624 G HN 0.639 nan 8.290 nan 0.000 0.551 625 D N 1.702 122.106 120.400 0.006 0.000 2.340 625 D HA 0.177 4.053 4.640 -1.274 0.000 0.217 625 D C 0.839 177.144 176.300 0.009 0.000 1.081 625 D CA 0.550 54.555 54.000 0.009 0.000 0.842 625 D CB 0.394 41.200 40.800 0.009 0.000 0.934 625 D HN 0.267 nan 8.370 nan 0.000 0.511 626 K N 0.983 121.386 120.400 0.005 0.000 2.208 626 K HA 0.441 3.996 4.320 -1.274 0.000 0.247 626 K C -0.022 176.580 176.600 0.003 0.000 0.953 626 K CA -0.482 55.809 56.287 0.005 0.000 0.837 626 K CB 2.420 34.922 32.500 0.003 0.000 1.131 626 K HN -0.050 nan 8.250 nan 0.000 0.431 627 Q N 1.557 121.362 119.800 0.008 0.000 2.353 627 Q HA 0.392 3.968 4.340 -1.274 0.000 0.268 627 Q C -0.729 175.280 176.000 0.015 0.000 1.045 627 Q CA -0.842 54.965 55.803 0.007 0.000 0.811 627 Q CB 3.051 31.799 28.738 0.016 0.000 1.305 627 Q HN 0.517 nan 8.270 nan 0.000 0.447 628 R N 2.147 122.654 120.500 0.011 0.000 2.725 628 R HA 0.615 4.191 4.340 -1.274 0.000 0.277 628 R C -1.283 175.037 176.300 0.033 0.000 0.987 628 R CA -0.697 55.420 56.100 0.027 0.000 0.901 628 R CB 1.607 31.917 30.300 0.018 0.000 1.207 628 R HN 0.528 nan 8.270 nan 0.000 0.463 629 M N 2.760 122.391 119.600 0.052 0.000 2.318 629 M HA 0.373 4.089 4.480 -1.274 0.000 0.347 629 M C -0.933 175.344 176.300 -0.038 0.000 1.175 629 M CA -0.997 54.300 55.300 -0.005 0.000 1.075 629 M CB 2.187 34.820 32.600 0.054 0.000 1.614 629 M HN 0.405 nan 8.290 nan 0.000 0.456 630 V N 3.580 123.404 119.914 -0.149 0.000 2.495 630 V HA 0.527 3.882 4.120 -1.274 0.000 0.298 630 V C -1.165 174.696 176.094 -0.389 0.000 1.031 630 V CA -0.510 61.750 62.300 -0.067 0.000 0.871 630 V CB 1.778 33.742 31.823 0.235 0.000 0.988 630 V HN 0.595 nan 8.190 nan 0.000 0.432 631 F N 3.948 123.857 119.950 -0.068 0.000 2.529 631 F HA 0.643 4.405 4.527 -1.274 0.000 0.320 631 F C 0.230 175.877 175.800 -0.256 0.000 1.118 631 F CA -0.767 57.121 58.000 -0.187 0.000 0.915 631 F CB 2.105 40.979 39.000 -0.210 0.000 1.161 631 F HN 0.143 nan 8.300 nan 0.000 0.445 632 K N 1.661 121.894 120.400 -0.280 0.000 2.463 632 K HA 0.487 4.043 4.320 -1.274 0.000 0.255 632 K C 0.634 177.046 176.600 -0.312 0.000 0.942 632 K CA -0.082 55.969 56.287 -0.393 0.000 0.814 632 K CB 1.581 33.559 32.500 -0.871 0.000 1.122 632 K HN 0.807 nan 8.250 nan 0.000 0.425 633 G N 2.166 110.860 108.800 -0.176 0.000 2.270 633 G HA2 -0.309 2.887 3.960 -1.274 0.000 0.268 633 G HA3 -0.309 2.887 3.960 -1.274 0.000 0.268 633 G C 0.354 175.151 174.900 -0.171 0.000 0.982 633 G CA 0.535 45.553 45.100 -0.137 0.000 0.628 633 G HN 0.459 nan 8.290 nan 0.000 0.544 634 L N -0.240 120.863 121.223 -0.199 0.000 2.475 634 L HA 0.399 3.975 4.340 -1.274 0.000 0.253 634 L C 1.991 178.610 176.870 -0.418 0.000 1.198 634 L CA -0.340 54.327 54.840 -0.288 0.000 0.814 634 L CB 0.278 42.198 42.059 -0.231 0.000 1.134 634 L HN 0.081 nan 8.230 nan 0.000 0.478 635 E N -0.215 119.596 120.200 -0.649 0.000 2.171 635 E HA -0.194 3.392 4.350 -1.274 0.000 0.197 635 E C 1.796 178.098 176.600 -0.497 0.000 0.997 635 E CA 1.671 57.551 56.400 -0.867 0.000 0.810 635 E CB -0.237 28.713 29.700 -1.249 0.000 0.738 635 E HN 0.665 nan 8.360 nan 0.000 0.467 636 T N -0.202 114.027 114.554 -0.541 0.000 2.788 636 T HA -0.106 3.480 4.350 -1.274 0.000 0.268 636 T C 1.613 176.123 174.700 -0.318 0.000 1.044 636 T CA 1.458 63.240 62.100 -0.530 0.000 1.139 636 T CB -0.047 68.193 68.868 -1.047 0.000 0.867 636 T HN 0.237 nan 8.240 nan 0.000 0.454 637 V N -1.069 118.693 119.914 -0.253 0.000 3.342 637 V HA 0.451 3.807 4.120 -1.274 0.000 0.322 637 V C 0.383 176.430 176.094 -0.077 0.000 1.370 637 V CA -0.453 61.771 62.300 -0.126 0.000 1.170 637 V CB -0.614 31.161 31.823 -0.079 0.000 1.101 637 V HN 0.126 nan 8.190 nan 0.000 0.442 638 R N 1.272 121.724 120.500 -0.081 0.000 2.229 638 R HA 0.374 3.950 4.340 -1.274 0.000 0.332 638 R C 1.518 177.885 176.300 0.112 0.000 0.989 638 R CA 0.451 56.568 56.100 0.027 0.000 0.842 638 R CB 1.662 31.988 30.300 0.044 0.000 1.119 638 R HN 0.547 nan 8.270 nan 0.000 0.456 639 T N -1.968 112.650 114.554 0.107 0.000 3.051 639 T HA -0.131 3.454 4.350 -1.274 0.000 0.269 639 T C 0.997 175.786 174.700 0.149 0.000 1.127 639 T CA 1.197 63.364 62.100 0.112 0.000 1.107 639 T CB -0.095 68.831 68.868 0.097 0.000 0.898 639 T HN 0.587 nan 8.240 nan 0.000 0.517 640 D N -1.339 119.186 120.400 0.209 0.000 2.339 640 D HA 0.058 3.933 4.640 -1.274 0.000 0.217 640 D C -0.132 176.292 176.300 0.207 0.000 1.050 640 D CA -0.465 53.652 54.000 0.196 0.000 0.856 640 D CB -0.394 40.495 40.800 0.149 0.000 0.922 640 D HN 0.496 nan 8.370 nan 0.000 0.518 641 W N 1.834 123.162 121.300 0.048 0.000 2.436 641 W HA 0.383 4.279 4.660 -1.274 0.000 0.347 641 W C 0.839 177.308 176.519 -0.082 0.000 1.136 641 W CA -0.758 56.597 57.345 0.017 0.000 1.286 641 W CB 1.029 30.476 29.460 -0.021 0.000 1.253 641 W HN -0.237 nan 8.180 nan 0.000 0.617 642 T N -0.446 114.086 114.554 -0.036 0.000 2.898 642 T HA 0.160 3.746 4.350 -1.274 0.000 0.301 642 T C -1.939 172.754 174.700 -0.012 0.000 1.049 642 T CA -1.218 60.792 62.100 -0.151 0.000 1.095 642 T CB 1.310 70.005 68.868 -0.289 0.000 0.976 642 T HN 0.120 nan 8.240 nan 0.000 0.539 643 P HA -0.032 nan 4.420 nan 0.000 0.218 643 P C 1.655 178.953 177.300 -0.004 0.000 1.148 643 P CA 0.308 63.396 63.100 -0.021 0.000 0.822 643 P CB -0.044 31.635 31.700 -0.035 0.000 0.784 644 L N -0.475 120.734 121.223 -0.023 0.000 2.017 644 L HA -0.109 3.467 4.340 -1.274 0.000 0.208 644 L C 2.166 179.077 176.870 0.070 0.000 1.073 644 L CA 2.214 57.049 54.840 -0.008 0.000 0.745 644 L CB -1.307 40.710 42.059 -0.069 0.000 0.894 644 L HN -0.119 nan 8.230 nan 0.000 0.432 645 A N -1.091 121.796 122.820 0.112 0.000 1.930 645 A HA -0.188 3.368 4.320 -1.274 0.000 0.217 645 A C 2.186 179.840 177.584 0.117 0.000 1.175 645 A CA 1.593 53.752 52.037 0.204 0.000 0.627 645 A CB -0.521 18.724 19.000 0.408 0.000 0.815 645 A HN 0.682 nan 8.150 nan 0.000 0.443 646 Q N -1.010 118.813 119.800 0.039 0.000 2.079 646 Q HA -0.207 3.369 4.340 -1.274 0.000 0.200 646 Q C 2.307 178.244 176.000 -0.105 0.000 0.974 646 Q CA 1.590 57.334 55.803 -0.098 0.000 0.840 646 Q CB -0.163 28.521 28.738 -0.088 0.000 0.898 646 Q HN 0.840 nan 8.270 nan 0.000 0.430 647 Q N -0.085 119.716 119.800 0.002 0.000 2.123 647 Q HA -0.170 3.406 4.340 -1.274 0.000 0.199 647 Q C 1.824 177.901 176.000 0.129 0.000 0.966 647 Q CA 0.932 56.758 55.803 0.037 0.000 0.845 647 Q CB -0.035 28.746 28.738 0.072 0.000 0.907 647 Q HN 0.308 nan 8.270 nan 0.000 0.439 648 F N 1.487 121.455 119.950 0.029 0.000 2.102 648 F HA -0.217 3.546 4.527 -1.274 0.000 0.298 648 F C 2.351 178.188 175.800 0.062 0.000 1.105 648 F CA 2.127 60.199 58.000 0.120 0.000 1.239 648 F CB -0.428 38.609 39.000 0.063 0.000 0.991 648 F HN 0.169 nan 8.300 nan 0.000 0.474 649 Q N -0.100 119.627 119.800 -0.121 0.000 2.084 649 Q HA -0.253 3.323 4.340 -1.274 0.000 0.202 649 Q C 2.235 177.998 176.000 -0.395 0.000 0.978 649 Q CA 1.990 57.566 55.803 -0.380 0.000 0.844 649 Q CB -0.232 28.186 28.738 -0.534 0.000 0.898 649 Q HN 0.589 nan 8.270 nan 0.000 0.426 650 Q N -0.084 119.516 119.800 -0.333 0.000 2.050 650 Q HA -0.180 3.395 4.340 -1.274 0.000 0.202 650 Q C 2.006 177.975 176.000 -0.052 0.000 0.980 650 Q CA 1.695 57.399 55.803 -0.165 0.000 0.840 650 Q CB 0.054 28.707 28.738 -0.142 0.000 0.898 650 Q HN 0.501 nan 8.270 nan 0.000 0.424 651 E N 0.412 120.550 120.200 -0.104 0.000 2.072 651 E HA -0.182 3.404 4.350 -1.274 0.000 0.191 651 E C 2.062 178.485 176.600 -0.295 0.000 0.985 651 E CA 0.768 57.037 56.400 -0.218 0.000 0.801 651 E CB -0.139 29.378 29.700 -0.304 0.000 0.750 651 E HN 0.199 nan 8.360 nan 0.000 0.452 652 L N 0.329 121.407 121.223 -0.242 0.000 2.027 652 L HA -0.143 3.433 4.340 -1.274 0.000 0.206 652 L C 2.127 178.889 176.870 -0.180 0.000 1.074 652 L CA 1.644 56.352 54.840 -0.221 0.000 0.745 652 L CB -0.679 41.156 42.059 -0.374 0.000 0.898 652 L HN 0.071 nan 8.230 nan 0.000 0.433 653 Y N -1.548 118.525 120.300 -0.378 0.000 2.224 653 Y HA -0.254 3.532 4.550 -1.274 0.000 0.289 653 Y C 2.399 177.972 175.900 -0.546 0.000 1.146 653 Y CA 0.898 58.646 58.100 -0.586 0.000 1.182 653 Y CB -0.078 38.102 38.460 -0.466 0.000 0.983 653 Y HN 0.258 nan 8.280 nan 0.000 0.524 654 L N 0.487 121.690 121.223 -0.034 0.000 2.046 654 L HA -0.183 3.393 4.340 -1.274 0.000 0.208 654 L C 2.213 179.087 176.870 0.007 0.000 1.077 654 L CA 1.658 56.534 54.840 0.061 0.000 0.747 654 L CB -0.503 41.595 42.059 0.064 0.000 0.896 654 L HN 0.029 nan 8.230 nan 0.000 0.432 655 R N -0.843 119.614 120.500 -0.072 0.000 2.075 655 R HA -0.062 3.514 4.340 -1.274 0.000 0.232 655 R C 2.293 178.588 176.300 -0.009 0.000 1.126 655 R CA 1.748 57.831 56.100 -0.028 0.000 0.963 655 R CB -0.341 29.945 30.300 -0.023 0.000 0.858 655 R HN 0.368 nan 8.270 nan 0.000 0.435 656 I N -0.114 120.374 120.570 -0.136 0.000 2.252 656 I HA -0.259 3.147 4.170 -1.274 0.000 0.245 656 I C 1.630 177.718 176.117 -0.047 0.000 1.102 656 I CA 1.043 62.238 61.300 -0.175 0.000 1.385 656 I CB -0.172 37.561 38.000 -0.445 0.000 1.064 656 I HN 0.067 nan 8.210 nan 0.000 0.414 657 F N 1.064 120.966 119.950 -0.080 0.000 2.216 657 F HA -0.133 3.630 4.527 -1.274 0.000 0.300 657 F C 2.342 178.131 175.800 -0.018 0.000 1.085 657 F CA 1.260 59.225 58.000 -0.057 0.000 1.326 657 F CB -0.732 38.240 39.000 -0.047 0.000 1.027 657 F HN -0.032 nan 8.300 nan 0.000 0.497 658 R N 0.206 120.815 120.500 0.182 0.000 2.320 658 R HA 0.052 3.628 4.340 -1.274 0.000 0.211 658 R C 0.189 176.541 176.300 0.087 0.000 0.931 658 R CA 0.142 56.310 56.100 0.113 0.000 1.071 658 R CB -0.276 30.075 30.300 0.085 0.000 1.025 658 R HN 0.180 nan 8.270 nan 0.000 0.495 659 N N 1.203 119.958 118.700 0.091 0.000 2.741 659 N HA -0.196 3.780 4.740 -1.274 0.000 0.251 659 N C -0.832 174.728 175.510 0.083 0.000 1.112 659 N CA 1.209 54.310 53.050 0.084 0.000 0.750 659 N CB -0.815 37.715 38.487 0.073 0.000 1.119 659 N HN 0.499 nan 8.380 nan 0.000 0.561 660 E N 0.429 120.680 120.200 0.084 0.000 2.312 660 E HA 0.365 3.951 4.350 -1.274 0.000 0.259 660 E C -2.247 174.415 176.600 0.104 0.000 1.122 660 E CA -1.520 54.923 56.400 0.072 0.000 0.922 660 E CB 0.503 30.233 29.700 0.049 0.000 1.109 660 E HN 0.015 nan 8.360 nan 0.000 0.442 661 P HA -0.008 nan 4.420 nan 0.000 0.275 661 P C -0.857 176.462 177.300 0.032 0.000 1.228 661 P CA 0.389 63.465 63.100 -0.041 0.000 0.786 661 P CB 0.205 31.868 31.700 -0.061 0.000 0.927 662 Y N -0.585 119.742 120.300 0.046 0.000 2.476 662 Y HA 0.303 4.089 4.550 -1.273 0.000 0.261 662 Y C 1.656 177.647 175.900 0.152 0.000 1.077 662 Y CA -0.072 58.084 58.100 0.095 0.000 1.240 662 Y CB -0.664 37.825 38.460 0.048 0.000 1.317 662 Y HN 0.133 nan 8.280 nan 0.000 0.540 663 Q N 1.123 120.681 119.800 -0.403 0.000 2.061 663 Q HA -0.218 3.357 4.340 -1.274 0.000 0.204 663 Q C 1.690 177.702 176.000 0.020 0.000 0.984 663 Q CA 2.179 57.897 55.803 -0.142 0.000 0.846 663 Q CB -0.028 28.548 28.738 -0.269 0.000 0.902 663 Q HN 0.454 nan 8.270 nan 0.000 0.421 664 E N 0.086 120.292 120.200 0.010 0.000 2.150 664 E HA -0.191 3.395 4.350 -1.274 0.000 0.193 664 E C 1.569 178.228 176.600 0.099 0.000 0.985 664 E CA 0.894 57.316 56.400 0.036 0.000 0.814 664 E CB -0.273 29.442 29.700 0.025 0.000 0.752 664 E HN 0.418 nan 8.360 nan 0.000 0.466 665 Y N -0.220 120.124 120.300 0.073 0.000 2.224 665 Y HA -0.165 3.621 4.550 -1.274 0.000 0.289 665 Y C 1.868 177.890 175.900 0.204 0.000 1.146 665 Y CA 1.582 59.756 58.100 0.124 0.000 1.182 665 Y CB -0.274 38.265 38.460 0.133 0.000 0.983 665 Y HN -0.047 nan 8.280 nan 0.000 0.524 666 V N 0.818 120.804 119.914 0.120 0.000 2.358 666 V HA -0.248 3.108 4.120 -1.274 0.000 0.246 666 V C 2.433 178.546 176.094 0.032 0.000 1.047 666 V CA 2.161 64.568 62.300 0.178 0.000 1.035 666 V CB -0.593 31.469 31.823 0.399 0.000 0.658 666 V HN 0.309 nan 8.190 nan 0.000 0.452 667 R N -0.123 120.381 120.500 0.007 0.000 2.075 667 R HA -0.188 3.388 4.340 -1.274 0.000 0.232 667 R C 2.365 178.617 176.300 -0.080 0.000 1.126 667 R CA 1.621 57.692 56.100 -0.049 0.000 0.963 667 R CB -0.238 30.033 30.300 -0.048 0.000 0.858 667 R HN 0.461 nan 8.270 nan 0.000 0.435 668 E N -0.175 119.975 120.200 -0.083 0.000 2.150 668 E HA -0.106 3.479 4.350 -1.274 0.000 0.193 668 E C 1.576 178.086 176.600 -0.149 0.000 0.985 668 E CA 1.462 57.806 56.400 -0.093 0.000 0.814 668 E CB 0.080 29.749 29.700 -0.051 0.000 0.752 668 E HN 0.153 nan 8.360 nan 0.000 0.466 669 T N 0.101 114.514 114.554 -0.235 0.000 2.812 669 T HA -0.028 3.558 4.350 -1.274 0.000 0.264 669 T C 1.834 176.396 174.700 -0.229 0.000 1.042 669 T CA 1.088 63.023 62.100 -0.275 0.000 1.140 669 T CB -0.168 68.456 68.868 -0.406 0.000 0.870 669 T HN 0.133 nan 8.240 nan 0.000 0.445 670 I N 1.063 121.522 120.570 -0.185 0.000 2.226 670 I HA -0.168 3.238 4.170 -1.274 0.000 0.245 670 I C 2.394 178.429 176.117 -0.137 0.000 1.100 670 I CA 1.300 62.516 61.300 -0.141 0.000 1.374 670 I CB -0.255 37.694 38.000 -0.085 0.000 1.057 670 I HN 0.168 nan 8.210 nan 0.000 0.413 671 D N 0.829 121.153 120.400 -0.127 0.000 2.117 671 D HA -0.173 3.702 4.640 -1.274 0.000 0.197 671 D C 2.193 178.408 176.300 -0.142 0.000 0.987 671 D CA 1.319 55.247 54.000 -0.119 0.000 0.829 671 D CB 0.115 40.857 40.800 -0.096 0.000 0.961 671 D HN 0.140 nan 8.370 nan 0.000 0.460 672 K N -0.437 119.875 120.400 -0.147 0.000 2.097 672 K HA -0.101 3.455 4.320 -1.274 0.000 0.205 672 K C 2.030 178.495 176.600 -0.226 0.000 1.050 672 K CA 0.622 56.816 56.287 -0.156 0.000 0.938 672 K CB -0.147 32.278 32.500 -0.126 0.000 0.718 672 K HN 0.156 nan 8.250 nan 0.000 0.442 673 L N 0.692 121.766 121.223 -0.248 0.000 2.056 673 L HA -0.115 3.461 4.340 -1.274 0.000 0.207 673 L C 1.885 178.403 176.870 -0.587 0.000 1.078 673 L CA 1.687 56.323 54.840 -0.340 0.000 0.749 673 L CB -0.256 41.668 42.059 -0.226 0.000 0.901 673 L HN 0.085 nan 8.230 nan 0.000 0.433 674 M N -0.237 119.134 119.600 -0.381 0.000 2.476 674 M HA 0.101 3.816 4.480 -1.274 0.000 0.262 674 M C 1.958 178.048 176.300 -0.350 0.000 1.079 674 M CA 1.091 56.178 55.300 -0.354 0.000 1.104 674 M CB -1.701 30.824 32.600 -0.125 0.000 1.409 674 M HN 0.472 nan 8.290 nan 0.000 0.467 675 A N -0.501 122.132 122.820 -0.311 0.000 2.345 675 A HA 0.503 4.059 4.320 -1.274 0.000 0.225 675 A C 1.535 178.986 177.584 -0.221 0.000 1.243 675 A CA 0.504 52.424 52.037 -0.195 0.000 0.875 675 A CB -0.760 18.163 19.000 -0.128 0.000 0.929 675 A HN 0.594 nan 8.150 nan 0.000 0.502 676 G N -0.045 108.475 108.800 -0.466 0.000 2.221 676 G HA2 -0.275 2.921 3.960 -1.274 0.000 0.265 676 G HA3 -0.275 2.921 3.960 -1.274 0.000 0.265 676 G C 0.317 175.133 174.900 -0.140 0.000 1.041 676 G CA 0.675 45.595 45.100 -0.300 0.000 0.807 676 G HN 0.653 nan 8.290 nan 0.000 0.502 677 E N -1.041 119.051 120.200 -0.180 0.000 2.472 677 E HA 0.274 3.860 4.350 -1.274 0.000 0.196 677 E C 1.506 178.048 176.600 -0.097 0.000 1.033 677 E CA 0.065 56.401 56.400 -0.107 0.000 0.886 677 E CB 0.287 29.928 29.700 -0.098 0.000 0.944 677 E HN 0.567 nan 8.360 nan 0.000 0.492 678 L N 0.936 122.081 121.223 -0.129 0.000 3.154 678 L HA 0.193 3.769 4.340 -1.274 0.000 0.266 678 L C 0.345 177.154 176.870 -0.102 0.000 1.300 678 L CA -0.256 54.518 54.840 -0.109 0.000 1.028 678 L CB 0.556 42.535 42.059 -0.134 0.000 1.412 678 L HN -0.122 nan 8.230 nan 0.000 0.564 679 D N 1.500 121.864 120.400 -0.060 0.000 2.178 679 D HA -0.149 3.727 4.640 -1.274 0.000 0.201 679 D C 2.197 178.452 176.300 -0.074 0.000 0.980 679 D CA 1.313 55.285 54.000 -0.046 0.000 0.842 679 D CB 0.273 41.080 40.800 0.010 0.000 0.948 679 D HN 0.395 nan 8.370 nan 0.000 0.472 680 A N 0.436 123.221 122.820 -0.059 0.000 2.178 680 A HA -0.123 3.433 4.320 -1.274 0.000 0.218 680 A C 1.762 179.304 177.584 -0.071 0.000 1.157 680 A CA 0.820 52.826 52.037 -0.053 0.000 0.689 680 A CB -0.243 18.736 19.000 -0.035 0.000 0.787 680 A HN 0.172 nan 8.150 nan 0.000 0.465 681 R N -1.204 119.236 120.500 -0.100 0.000 2.393 681 R HA 0.247 3.822 4.340 -1.274 0.000 0.244 681 R C -0.081 176.112 176.300 -0.178 0.000 0.920 681 R CA -0.207 55.827 56.100 -0.111 0.000 1.076 681 R CB 0.125 30.370 30.300 -0.092 0.000 1.119 681 R HN 0.257 nan 8.270 nan 0.000 0.524 682 L N 0.857 121.936 121.223 -0.240 0.000 2.653 682 L HA 0.157 3.733 4.340 -1.274 0.000 0.231 682 L C 0.001 176.748 176.870 -0.204 0.000 1.153 682 L CA 0.165 54.773 54.840 -0.386 0.000 0.933 682 L CB 0.643 42.275 42.059 -0.712 0.000 1.175 682 L HN -0.143 nan 8.230 nan 0.000 0.473 683 V N -0.286 119.530 119.914 -0.164 0.000 2.461 683 V HA 0.150 3.506 4.120 -1.274 0.000 0.275 683 V C -0.095 175.866 176.094 -0.222 0.000 1.047 683 V CA -0.706 61.518 62.300 -0.127 0.000 0.955 683 V CB 0.492 32.277 31.823 -0.064 0.000 0.988 683 V HN 0.075 nan 8.190 nan 0.000 0.471 684 Y N 4.173 124.303 120.300 -0.285 0.000 2.301 684 Y HA 0.569 4.355 4.550 -1.274 0.000 0.325 684 Y C 0.644 176.360 175.900 -0.307 0.000 1.203 684 Y CA -0.268 57.568 58.100 -0.440 0.000 1.255 684 Y CB 0.987 38.788 38.460 -1.098 0.000 1.232 684 Y HN 0.470 nan 8.280 nan 0.000 0.501 685 R N 3.389 123.926 120.500 0.060 0.000 2.502 685 R HA 0.410 3.986 4.340 -1.274 0.000 0.298 685 R C -1.461 174.938 176.300 0.165 0.000 1.018 685 R CA -0.685 55.488 56.100 0.123 0.000 0.899 685 R CB 0.907 31.262 30.300 0.091 0.000 1.181 685 R HN 0.694 nan 8.270 nan 0.000 0.444 686 K N 2.967 123.495 120.400 0.213 0.000 2.502 686 K HA 0.437 3.993 4.320 -1.274 0.000 0.257 686 K C -0.882 175.799 176.600 0.135 0.000 0.938 686 K CA -0.862 55.495 56.287 0.115 0.000 0.819 686 K CB 1.837 34.321 32.500 -0.027 0.000 1.333 686 K HN 0.486 nan 8.250 nan 0.000 0.434 687 R N 2.113 122.675 120.500 0.103 0.000 2.531 687 R HA 0.352 3.927 4.340 -1.274 0.000 0.273 687 R C -0.397 176.055 176.300 0.254 0.000 1.070 687 R CA -0.531 55.670 56.100 0.170 0.000 1.112 687 R CB 0.544 30.932 30.300 0.146 0.000 1.049 687 R HN 0.367 nan 8.270 nan 0.000 0.508 688 L N 3.318 124.711 121.223 0.283 0.000 2.264 688 L HA 0.357 3.932 4.340 -1.274 0.000 0.287 688 L C 1.253 178.298 176.870 0.291 0.000 1.039 688 L CA -0.157 54.885 54.840 0.338 0.000 0.829 688 L CB 1.143 43.352 42.059 0.249 0.000 1.211 688 L HN 0.491 nan 8.230 nan 0.000 0.427 689 R N 1.749 122.435 120.500 0.310 0.000 2.310 689 R HA 0.151 3.727 4.340 -1.274 0.000 0.202 689 R C 0.541 176.908 176.300 0.112 0.000 0.933 689 R CA 0.131 56.340 56.100 0.183 0.000 1.054 689 R CB 0.328 30.721 30.300 0.154 0.000 0.985 689 R HN 0.474 nan 8.270 nan 0.000 0.489 690 R N 1.094 121.674 120.500 0.133 0.000 2.807 690 R HA 0.356 3.932 4.340 -1.274 0.000 0.276 690 R C -2.850 173.465 176.300 0.026 0.000 0.979 690 R CA -2.228 53.821 56.100 -0.085 0.000 0.928 690 R CB 1.905 31.869 30.300 -0.561 0.000 1.191 690 R HN -0.238 nan 8.270 nan 0.000 0.471 691 P HA -0.002 nan 4.420 nan 0.000 0.268 691 P C 0.494 177.849 177.300 0.092 0.000 1.205 691 P CA -0.148 62.979 63.100 0.045 0.000 0.771 691 P CB 0.609 32.309 31.700 -0.000 0.000 0.858 692 L N 3.845 125.177 121.223 0.182 0.000 2.089 692 L HA -0.255 3.321 4.340 -1.274 0.000 0.213 692 L C 2.030 179.020 176.870 0.201 0.000 1.079 692 L CA 2.480 57.470 54.840 0.251 0.000 0.758 692 L CB -1.280 40.862 42.059 0.139 0.000 0.891 692 L HN 0.408 nan 8.230 nan 0.000 0.433 693 S N -2.424 113.328 115.700 0.087 0.000 2.561 693 S HA -0.086 3.620 4.470 -1.274 0.000 0.225 693 S C 1.590 176.200 174.600 0.016 0.000 0.977 693 S CA 0.672 58.900 58.200 0.047 0.000 0.926 693 S CB -0.405 62.806 63.200 0.019 0.000 0.769 693 S HN 0.565 nan 8.310 nan 0.000 0.533 694 E N -0.044 120.133 120.200 -0.039 0.000 2.489 694 E HA 0.132 3.717 4.350 -1.274 0.000 0.193 694 E C -0.884 175.592 176.600 -0.207 0.000 1.057 694 E CA -0.091 56.226 56.400 -0.139 0.000 0.866 694 E CB 0.091 29.669 29.700 -0.204 0.000 0.916 694 E HN 0.652 nan 8.360 nan 0.000 0.500 695 Y N 1.278 121.561 120.300 -0.029 0.000 2.595 695 Y HA 0.105 3.891 4.550 -1.274 0.000 0.347 695 Y C 1.011 176.889 175.900 -0.035 0.000 1.025 695 Y CA -0.040 58.038 58.100 -0.036 0.000 1.295 695 Y CB 0.515 38.934 38.460 -0.067 0.000 1.147 695 Y HN 0.012 nan 8.280 nan 0.000 0.515 696 Q N 1.072 120.911 119.800 0.067 0.000 2.431 696 Q HA 0.126 3.702 4.340 -1.274 0.000 0.244 696 Q C 1.768 177.788 176.000 0.034 0.000 0.880 696 Q CA 0.022 55.847 55.803 0.037 0.000 0.954 696 Q CB 0.323 29.066 28.738 0.008 0.000 1.105 696 Q HN 0.581 nan 8.270 nan 0.000 0.558 697 R N 1.481 122.004 120.500 0.038 0.000 2.096 697 R HA -0.055 3.521 4.340 -1.274 0.000 0.235 697 R C 0.559 176.880 176.300 0.035 0.000 1.127 697 R CA 1.450 57.570 56.100 0.032 0.000 0.968 697 R CB -0.106 30.214 30.300 0.033 0.000 0.861 697 R HN 0.343 nan 8.270 nan 0.000 0.440 698 N N -2.131 116.599 118.700 0.049 0.000 3.308 698 N HA 0.104 4.080 4.740 -1.274 0.000 0.276 698 N C -1.579 173.943 175.510 0.019 0.000 1.533 698 N CA -0.821 52.247 53.050 0.030 0.000 0.878 698 N CB 1.320 39.827 38.487 0.034 0.000 1.566 698 N HN -0.226 nan 8.380 nan 0.000 0.546 699 V N 0.717 120.616 119.914 -0.025 0.000 2.380 699 V HA 0.512 3.868 4.120 -1.274 0.000 0.286 699 V C -2.298 173.723 176.094 -0.123 0.000 1.015 699 V CA -1.038 61.205 62.300 -0.095 0.000 0.834 699 V CB 0.998 32.753 31.823 -0.112 0.000 1.009 699 V HN 0.643 nan 8.190 nan 0.000 0.428 700 P HA 0.285 nan 4.420 nan 0.000 0.274 700 P C -1.901 175.268 177.300 -0.217 0.000 1.237 700 P CA -1.507 61.525 63.100 -0.114 0.000 0.793 700 P CB 0.492 32.166 31.700 -0.043 0.000 0.977 701 P HA -0.232 nan 4.420 nan 0.000 0.215 701 P C 1.338 178.277 177.300 -0.602 0.000 1.153 701 P CA 1.806 64.727 63.100 -0.299 0.000 0.853 701 P CB -0.414 31.253 31.700 -0.056 0.000 0.788 702 H N -0.494 118.133 119.070 -0.737 0.000 2.389 702 H HA 0.005 3.797 4.556 -1.274 0.000 0.299 702 H C 1.825 176.785 175.328 -0.613 0.000 1.081 702 H CA 0.858 56.355 56.048 -0.918 0.000 1.345 702 H CB -1.470 27.992 29.762 -0.499 0.000 1.393 702 H HN -0.072 nan 8.280 nan 0.000 0.520 703 V N 1.586 120.824 119.914 -1.126 0.000 2.407 703 V HA -0.215 3.141 4.120 -1.274 0.000 0.248 703 V C 3.076 178.828 176.094 -0.570 0.000 1.055 703 V CA 2.022 63.749 62.300 -0.956 0.000 1.049 703 V CB -0.723 30.414 31.823 -1.143 0.000 0.662 703 V HN 0.373 nan 8.190 nan 0.000 0.455 704 R N 0.272 120.474 120.500 -0.497 0.000 2.075 704 R HA -0.117 3.459 4.340 -1.274 0.000 0.232 704 R C 2.247 178.333 176.300 -0.355 0.000 1.126 704 R CA 1.625 57.504 56.100 -0.367 0.000 0.963 704 R CB -0.421 29.673 30.300 -0.344 0.000 0.858 704 R HN 0.459 nan 8.270 nan 0.000 0.435 705 A N 0.556 123.110 122.820 -0.444 0.000 1.969 705 A HA -0.025 3.530 4.320 -1.274 0.000 0.218 705 A C 2.294 179.675 177.584 -0.337 0.000 1.169 705 A CA 1.460 53.276 52.037 -0.367 0.000 0.635 705 A CB -0.597 18.149 19.000 -0.423 0.000 0.810 705 A HN 0.541 nan 8.150 nan 0.000 0.445 706 A N -0.246 122.312 122.820 -0.437 0.000 1.898 706 A HA -0.098 3.458 4.320 -1.274 0.000 0.216 706 A C 2.229 179.697 177.584 -0.194 0.000 1.181 706 A CA 1.364 53.108 52.037 -0.489 0.000 0.620 706 A CB -0.404 18.309 19.000 -0.478 0.000 0.819 706 A HN 0.514 nan 8.150 nan 0.000 0.442 707 R N -1.265 119.123 120.500 -0.187 0.000 2.096 707 R HA -0.063 3.513 4.340 -1.274 0.000 0.235 707 R C 1.917 178.169 176.300 -0.081 0.000 1.127 707 R CA 1.157 57.195 56.100 -0.103 0.000 0.968 707 R CB -0.387 29.835 30.300 -0.129 0.000 0.861 707 R HN 0.406 nan 8.270 nan 0.000 0.440 708 L N 0.293 121.447 121.223 -0.116 0.000 2.093 708 L HA -0.065 3.511 4.340 -1.274 0.000 0.208 708 L C 2.201 179.040 176.870 -0.052 0.000 1.085 708 L CA 1.748 56.531 54.840 -0.096 0.000 0.755 708 L CB -0.715 41.272 42.059 -0.119 0.000 0.904 708 L HN 0.129 nan 8.230 nan 0.000 0.435 709 A N -1.490 121.335 122.820 0.008 0.000 1.968 709 A HA -0.150 3.406 4.320 -1.274 0.000 0.217 709 A C 1.991 179.667 177.584 0.153 0.000 1.169 709 A CA 1.541 53.678 52.037 0.167 0.000 0.638 709 A CB -0.439 18.739 19.000 0.297 0.000 0.812 709 A HN 0.387 nan 8.150 nan 0.000 0.446 710 D N -0.387 120.097 120.400 0.139 0.000 2.194 710 D HA -0.041 3.835 4.640 -1.274 0.000 0.204 710 D C 1.901 178.202 176.300 0.001 0.000 0.964 710 D CA 0.891 54.955 54.000 0.107 0.000 0.846 710 D CB -0.183 40.697 40.800 0.133 0.000 0.962 710 D HN 0.601 nan 8.370 nan 0.000 0.490 711 E N 0.314 120.494 120.200 -0.033 0.000 2.077 711 E HA -0.206 3.380 4.350 -1.274 0.000 0.193 711 E C 1.757 178.285 176.600 -0.120 0.000 0.989 711 E CA 0.942 57.302 56.400 -0.067 0.000 0.800 711 E CB 0.087 29.743 29.700 -0.073 0.000 0.746 711 E HN 0.119 nan 8.360 nan 0.000 0.452 712 E N 0.833 120.915 120.200 -0.198 0.000 2.152 712 E HA -0.133 3.453 4.350 -1.274 0.000 0.192 712 E C 1.644 178.015 176.600 -0.382 0.000 0.983 712 E CA 0.941 57.111 56.400 -0.383 0.000 0.818 712 E CB 0.022 29.284 29.700 -0.731 0.000 0.758 712 E HN 0.114 nan 8.360 nan 0.000 0.467 713 N N 0.314 118.874 118.700 -0.233 0.000 2.188 713 N HA -0.158 3.818 4.740 -1.274 0.000 0.184 713 N C 1.679 177.153 175.510 -0.059 0.000 1.018 713 N CA 1.015 54.017 53.050 -0.079 0.000 0.858 713 N CB -0.235 38.275 38.487 0.039 0.000 0.989 713 N HN 0.322 nan 8.380 nan 0.000 0.426 714 Q N 0.784 120.548 119.800 -0.060 0.000 2.084 714 Q HA -0.067 3.509 4.340 -1.274 0.000 0.202 714 Q C 1.571 177.540 176.000 -0.052 0.000 0.978 714 Q CA 1.403 57.179 55.803 -0.043 0.000 0.844 714 Q CB 0.101 28.815 28.738 -0.040 0.000 0.898 714 Q HN 0.215 nan 8.270 nan 0.000 0.426 715 K N -0.380 119.971 120.400 -0.081 0.000 2.211 715 K HA -0.082 3.473 4.320 -1.274 0.000 0.203 715 K C 1.366 177.929 176.600 -0.061 0.000 1.050 715 K CA 0.920 57.162 56.287 -0.076 0.000 0.945 715 K CB 0.212 32.651 32.500 -0.102 0.000 0.732 715 K HN 0.020 nan 8.250 nan 0.000 0.451 716 R N -0.860 119.601 120.500 -0.064 0.000 2.432 716 R HA 0.142 3.718 4.340 -1.274 0.000 0.260 716 R C 0.279 176.576 176.300 -0.005 0.000 0.935 716 R CA 0.370 56.452 56.100 -0.029 0.000 1.080 716 R CB 1.068 31.357 30.300 -0.017 0.000 1.155 716 R HN 0.210 nan 8.270 nan 0.000 0.531 717 G N 1.998 110.792 108.800 -0.009 0.000 2.273 717 G HA2 -0.341 2.855 3.960 -1.274 0.000 0.280 717 G HA3 -0.341 2.855 3.960 -1.274 0.000 0.280 717 G C -0.244 174.664 174.900 0.013 0.000 1.047 717 G CA 0.188 45.290 45.100 0.003 0.000 0.869 717 G HN 0.262 nan 8.290 nan 0.000 0.502 718 R N 0.174 120.683 120.500 0.016 0.000 2.664 718 R HA 0.525 4.101 4.340 -1.274 0.000 0.286 718 R C -2.255 174.056 176.300 0.018 0.000 0.967 718 R CA -1.996 54.121 56.100 0.029 0.000 0.933 718 R CB 1.751 32.090 30.300 0.065 0.000 1.146 718 R HN 0.106 nan 8.270 nan 0.000 0.468 719 P HA 0.014 nan 4.420 nan 0.000 0.268 719 P C -0.378 176.912 177.300 -0.017 0.000 1.204 719 P CA 0.147 63.243 63.100 -0.005 0.000 0.768 719 P CB 0.544 32.236 31.700 -0.014 0.000 0.842 720 L N 2.750 123.960 121.223 -0.022 0.000 2.461 720 L HA 0.051 3.627 4.340 -1.274 0.000 0.272 720 L C 1.691 178.490 176.870 -0.117 0.000 1.197 720 L CA 0.267 55.086 54.840 -0.035 0.000 0.836 720 L CB -0.288 41.765 42.059 -0.010 0.000 1.105 720 L HN 0.446 nan 8.230 nan 0.000 0.477 721 Q N 0.962 120.604 119.800 -0.263 0.000 2.322 721 Q HA 0.080 3.656 4.340 -1.274 0.000 0.250 721 Q C 0.106 175.679 176.000 -0.713 0.000 0.853 721 Q CA 0.393 55.856 55.803 -0.567 0.000 0.951 721 Q CB 0.635 28.831 28.738 -0.903 0.000 1.114 721 Q HN 0.636 nan 8.270 nan 0.000 0.523 722 Y N -0.097 120.226 120.300 0.038 0.000 2.612 722 Y HA 0.202 3.988 4.550 -1.274 0.000 0.250 722 Y C 1.640 177.562 175.900 0.036 0.000 1.175 722 Y CA -0.343 57.779 58.100 0.037 0.000 1.205 722 Y CB 0.668 39.141 38.460 0.021 0.000 1.201 722 Y HN -0.036 nan 8.280 nan 0.000 0.532 723 Q N 0.539 120.396 119.800 0.095 0.000 2.170 723 Q HA -0.110 3.466 4.340 -1.274 0.000 0.203 723 Q C 0.218 176.265 176.000 0.078 0.000 0.976 723 Q CA 1.143 56.993 55.803 0.079 0.000 0.858 723 Q CB -0.062 28.699 28.738 0.037 0.000 0.907 723 Q HN 0.289 nan 8.270 nan 0.000 0.433 724 N N 0.135 118.876 118.700 0.067 0.000 2.765 724 N HA 0.198 4.174 4.740 -1.274 0.000 0.277 724 N C -1.223 174.333 175.510 0.077 0.000 1.750 724 N CA -0.096 52.990 53.050 0.060 0.000 0.827 724 N CB 0.283 38.787 38.487 0.029 0.000 1.200 724 N HN 0.106 nan 8.380 nan 0.000 0.494 725 R N -0.835 119.739 120.500 0.122 0.000 3.967 725 R HA 0.043 3.619 4.340 -1.274 0.000 0.450 725 R C 0.155 176.547 176.300 0.153 0.000 0.241 725 R CA 0.657 56.841 56.100 0.140 0.000 1.421 725 R CB -1.299 29.059 30.300 0.097 0.000 1.115 725 R HN 0.658 nan 8.270 nan 0.000 0.508 726 G N -1.010 107.886 108.800 0.160 0.000 2.373 726 G HA2 0.036 3.232 3.960 -1.274 0.000 0.634 726 G HA3 0.036 3.232 3.960 -1.274 0.000 0.634 726 G C -1.208 173.824 174.900 0.220 0.000 1.267 726 G CA -0.357 44.846 45.100 0.172 0.000 1.008 726 G HN 0.661 nan 8.290 nan 0.000 0.497 727 T N 0.295 114.989 114.554 0.233 0.000 2.797 727 T HA 0.606 4.192 4.350 -1.274 0.000 0.279 727 T C -0.342 174.526 174.700 0.281 0.000 0.991 727 T CA -0.033 62.207 62.100 0.233 0.000 0.979 727 T CB 1.612 70.594 68.868 0.190 0.000 0.943 727 T HN 0.969 nan 8.240 nan 0.000 0.444 728 I N 2.738 123.436 120.570 0.214 0.000 2.474 728 I HA 0.481 3.887 4.170 -1.274 0.000 0.294 728 I C -0.742 175.507 176.117 0.219 0.000 1.005 728 I CA -0.626 60.744 61.300 0.118 0.000 1.113 728 I CB 1.161 39.066 38.000 -0.158 0.000 1.289 728 I HN 0.396 nan 8.210 nan 0.000 0.436 729 K N 7.389 127.901 120.400 0.187 0.000 2.206 729 K HA 0.531 4.086 4.320 -1.274 0.000 0.264 729 K C -1.683 175.063 176.600 0.243 0.000 0.967 729 K CA -0.561 55.837 56.287 0.186 0.000 0.844 729 K CB 1.681 34.246 32.500 0.108 0.000 1.099 729 K HN 0.635 nan 8.250 nan 0.000 0.441 730 Y N -1.209 119.143 120.300 0.087 0.000 2.655 730 Y HA 0.678 4.464 4.550 -1.274 0.000 0.336 730 Y C -0.985 175.034 175.900 0.199 0.000 1.154 730 Y CA -1.448 56.694 58.100 0.070 0.000 1.055 730 Y CB 0.921 39.372 38.460 -0.015 0.000 1.295 730 Y HN 0.228 nan 8.280 nan 0.000 0.465 731 V N -2.425 117.625 119.914 0.227 0.000 3.102 731 V HA 0.538 3.894 4.120 -1.274 0.000 0.312 731 V C -1.402 174.863 176.094 0.285 0.000 1.135 731 V CA -1.012 61.459 62.300 0.287 0.000 1.022 731 V CB 2.490 34.433 31.823 0.200 0.000 1.056 731 V HN 1.012 nan 8.190 nan 0.000 0.436 732 W N 3.311 124.699 121.300 0.147 0.000 2.316 732 W HA 0.621 4.517 4.660 -1.274 0.000 0.308 732 W C 0.133 176.614 176.519 -0.065 0.000 1.106 732 W CA 0.433 57.685 57.345 -0.155 0.000 1.262 732 W CB 1.733 30.706 29.460 -0.811 0.000 1.233 732 W HN 1.062 nan 8.180 nan 0.000 0.447 733 T N 0.140 114.617 114.554 -0.129 0.000 2.922 733 T HA 0.216 3.802 4.350 -1.274 0.000 0.281 733 T C 1.393 176.088 174.700 -0.008 0.000 1.005 733 T CA 0.131 62.208 62.100 -0.038 0.000 0.982 733 T CB 1.425 70.240 68.868 -0.088 0.000 1.158 733 T HN 0.380 nan 8.240 nan 0.000 0.566 734 T N -1.165 113.388 114.554 -0.001 0.000 3.051 734 T HA -0.004 3.582 4.350 -1.274 0.000 0.269 734 T C 1.085 175.780 174.700 -0.009 0.000 1.127 734 T CA 0.639 62.755 62.100 0.027 0.000 1.107 734 T CB -0.464 68.411 68.868 0.011 0.000 0.898 734 T HN 0.590 nan 8.240 nan 0.000 0.517 735 N N 1.192 119.846 118.700 -0.077 0.000 2.234 735 N HA 0.361 4.337 4.740 -1.274 0.000 0.227 735 N C 0.875 176.255 175.510 -0.217 0.000 1.151 735 N CA 0.684 53.669 53.050 -0.109 0.000 0.865 735 N CB 1.061 39.490 38.487 -0.098 0.000 1.066 735 N HN 0.718 nan 8.380 nan 0.000 0.515 736 G N 1.751 110.338 108.800 -0.355 0.000 2.549 736 G HA2 -0.173 3.022 3.960 -1.274 0.000 0.404 736 G HA3 -0.173 3.022 3.960 -1.274 0.000 0.404 736 G C -3.036 171.211 174.900 -1.088 0.000 1.292 736 G CA -1.019 43.611 45.100 -0.782 0.000 0.935 736 G HN -0.013 nan 8.290 nan 0.000 0.512 737 P HA 0.309 nan 4.420 nan 0.000 0.271 737 P C -0.571 176.472 177.300 -0.427 0.000 1.233 737 P CA 0.709 63.286 63.100 -0.871 0.000 0.764 737 P CB 0.852 32.002 31.700 -0.916 0.000 0.825 738 E N 5.057 125.134 120.200 -0.204 0.000 2.248 738 E HA 0.362 3.948 4.350 -1.274 0.000 0.267 738 E C -2.369 174.241 176.600 0.017 0.000 0.877 738 E CA -2.682 53.654 56.400 -0.107 0.000 0.759 738 E CB 2.135 31.785 29.700 -0.083 0.000 1.182 738 E HN 0.387 nan 8.360 nan 0.000 0.418 739 P HA -0.059 nan 4.420 nan 0.000 0.268 739 P C 0.602 177.945 177.300 0.073 0.000 1.205 739 P CA -0.132 63.004 63.100 0.060 0.000 0.771 739 P CB 0.994 32.719 31.700 0.041 0.000 0.858 740 L N 3.013 124.278 121.223 0.070 0.000 2.042 740 L HA -0.170 3.406 4.340 -1.274 0.000 0.210 740 L C 1.656 178.509 176.870 -0.027 0.000 1.076 740 L CA 2.112 56.971 54.840 0.032 0.000 0.749 740 L CB -1.189 40.889 42.059 0.031 0.000 0.893 740 L HN 0.202 nan 8.230 nan 0.000 0.432 741 D N -0.991 119.353 120.400 -0.094 0.000 2.149 741 D HA -0.192 3.684 4.640 -1.274 0.000 0.198 741 D C 0.519 176.556 176.300 -0.439 0.000 0.990 741 D CA 1.534 55.341 54.000 -0.320 0.000 0.839 741 D CB -0.083 40.415 40.800 -0.505 0.000 0.948 741 D HN 0.458 nan 8.370 nan 0.000 0.460 742 Y N 0.412 120.730 120.300 0.030 0.000 2.634 742 Y HA 0.238 4.023 4.550 -1.274 0.000 0.292 742 Y C 0.279 176.177 175.900 -0.003 0.000 0.996 742 Y CA -0.711 57.397 58.100 0.013 0.000 1.165 742 Y CB -0.183 38.284 38.460 0.012 0.000 1.194 742 Y HN -0.191 nan 8.280 nan 0.000 0.585 743 Q N 1.473 121.332 119.800 0.100 0.000 2.271 743 Q HA 0.107 3.683 4.340 -1.274 0.000 0.273 743 Q C 0.892 176.919 176.000 0.046 0.000 1.051 743 Q CA 0.356 56.192 55.803 0.055 0.000 0.901 743 Q CB 0.716 29.471 28.738 0.030 0.000 1.174 743 Q HN 0.588 nan 8.270 nan 0.000 0.385 744 R N 1.399 121.913 120.500 0.024 0.000 2.142 744 R HA 0.150 3.726 4.340 -1.274 0.000 0.204 744 R C 0.256 176.552 176.300 -0.007 0.000 1.059 744 R CA 0.263 56.369 56.100 0.010 0.000 1.055 744 R CB 0.615 30.913 30.300 -0.004 0.000 0.976 744 R HN 0.456 nan 8.270 nan 0.000 0.483 745 S N 2.042 117.729 115.700 -0.022 0.000 2.687 745 S HA 0.356 4.062 4.470 -1.274 0.000 0.283 745 S C -2.445 172.137 174.600 -0.029 0.000 1.170 745 S CA -1.314 56.868 58.200 -0.030 0.000 1.008 745 S CB 1.633 64.804 63.200 -0.049 0.000 1.026 745 S HN 0.036 nan 8.310 nan 0.000 0.541 746 P HA 0.195 nan 4.420 nan 0.000 0.275 746 P C -0.718 176.530 177.300 -0.087 0.000 1.228 746 P CA -0.378 62.690 63.100 -0.054 0.000 0.786 746 P CB 0.364 32.037 31.700 -0.045 0.000 0.927 747 L N 2.292 123.424 121.223 -0.152 0.000 2.490 747 L HA 0.032 3.608 4.340 -1.274 0.000 0.274 747 L C 1.136 177.818 176.870 -0.314 0.000 1.201 747 L CA 0.350 55.074 54.840 -0.194 0.000 0.869 747 L CB -0.191 41.685 42.059 -0.305 0.000 1.123 747 L HN 0.377 nan 8.230 nan 0.000 0.484 748 D N 2.309 122.696 120.400 -0.022 0.000 2.441 748 D HA 0.059 3.935 4.640 -1.274 0.000 0.221 748 D C 0.543 176.958 176.300 0.193 0.000 1.156 748 D CA -0.185 53.853 54.000 0.063 0.000 0.896 748 D CB 0.501 41.441 40.800 0.233 0.000 1.028 748 D HN 0.254 nan 8.370 nan 0.000 0.509 749 Y N 1.867 122.327 120.300 0.266 0.000 2.352 749 Y HA -0.091 3.695 4.550 -1.274 0.000 0.292 749 Y C 2.163 178.191 175.900 0.214 0.000 1.136 749 Y CA 0.896 59.147 58.100 0.251 0.000 1.227 749 Y CB -0.360 38.172 38.460 0.120 0.000 0.991 749 Y HN 0.455 nan 8.280 nan 0.000 0.545 750 E N -0.474 119.903 120.200 0.296 0.000 2.150 750 E HA -0.230 3.356 4.350 -1.274 0.000 0.193 750 E C 2.234 178.902 176.600 0.113 0.000 0.985 750 E CA 1.549 58.057 56.400 0.180 0.000 0.814 750 E CB -0.547 29.236 29.700 0.139 0.000 0.752 750 E HN 0.539 nan 8.360 nan 0.000 0.466 751 H N -0.771 118.303 119.070 0.007 0.000 2.357 751 H HA -0.149 3.643 4.556 -1.274 0.000 0.301 751 H C 1.317 176.497 175.328 -0.246 0.000 1.082 751 H CA 1.830 57.742 56.048 -0.226 0.000 1.342 751 H CB -0.263 29.236 29.762 -0.438 0.000 1.389 751 H HN 0.333 nan 8.280 nan 0.000 0.511 752 Y N 0.181 120.545 120.300 0.107 0.000 2.242 752 Y HA -0.138 3.648 4.550 -1.274 0.000 0.291 752 Y C 2.738 178.598 175.900 -0.066 0.000 1.137 752 Y CA 0.939 59.059 58.100 0.035 0.000 1.181 752 Y CB -0.283 38.255 38.460 0.130 0.000 0.989 752 Y HN 0.176 nan 8.280 nan 0.000 0.527 753 L N -0.685 120.609 121.223 0.117 0.000 2.027 753 L HA -0.165 3.411 4.340 -1.274 0.000 0.206 753 L C 2.124 178.997 176.870 0.005 0.000 1.074 753 L CA 2.191 57.068 54.840 0.062 0.000 0.745 753 L CB -1.036 41.087 42.059 0.106 0.000 0.898 753 L HN 0.080 nan 8.230 nan 0.000 0.433 754 T N -0.228 114.298 114.554 -0.047 0.000 2.812 754 T HA -0.019 3.567 4.350 -1.274 0.000 0.264 754 T C 1.751 176.333 174.700 -0.197 0.000 1.042 754 T CA 1.114 63.158 62.100 -0.094 0.000 1.140 754 T CB -0.029 68.779 68.868 -0.101 0.000 0.870 754 T HN 0.279 nan 8.240 nan 0.000 0.445 755 R N 0.411 120.690 120.500 -0.367 0.000 2.308 755 R HA 0.304 3.879 4.340 -1.274 0.000 0.202 755 R C 1.787 177.951 176.300 -0.228 0.000 0.898 755 R CA 0.352 56.209 56.100 -0.405 0.000 1.046 755 R CB 0.065 29.882 30.300 -0.804 0.000 1.026 755 R HN 0.377 nan 8.270 nan 0.000 0.512 756 Q N -0.066 119.663 119.800 -0.118 0.000 2.581 756 Q HA 0.264 3.839 4.340 -1.274 0.000 0.222 756 Q C 2.304 178.376 176.000 0.121 0.000 0.904 756 Q CA 0.391 56.255 55.803 0.103 0.000 0.923 756 Q CB 0.133 28.929 28.738 0.097 0.000 1.117 756 Q HN 0.152 nan 8.270 nan 0.000 0.618 757 L N 1.085 122.274 121.223 -0.056 0.000 2.044 757 L HA -0.142 3.434 4.340 -1.274 0.000 0.205 757 L C 2.725 179.418 176.870 -0.296 0.000 1.075 757 L CA 1.407 56.113 54.840 -0.222 0.000 0.747 757 L CB -0.470 41.353 42.059 -0.393 0.000 0.903 757 L HN 0.301 nan 8.230 nan 0.000 0.435 758 Q N 0.484 120.036 119.800 -0.412 0.000 2.061 758 Q HA -0.168 3.408 4.340 -1.274 0.000 0.204 758 Q C -0.655 175.114 176.000 -0.386 0.000 0.984 758 Q CA 2.061 57.427 55.803 -0.728 0.000 0.846 758 Q CB -0.661 27.886 28.738 -0.319 0.000 0.902 758 Q HN 0.283 nan 8.270 nan 0.000 0.421 759 P HA -0.122 nan 4.420 nan 0.000 0.217 759 P C 1.392 178.664 177.300 -0.047 0.000 1.150 759 P CA 1.007 64.087 63.100 -0.034 0.000 0.832 759 P CB -0.036 31.734 31.700 0.117 0.000 0.787 760 V N 0.699 120.605 119.914 -0.013 0.000 2.358 760 V HA -0.216 3.140 4.120 -1.274 0.000 0.246 760 V C 2.715 178.815 176.094 0.011 0.000 1.047 760 V CA 2.302 64.602 62.300 -0.000 0.000 1.035 760 V CB -1.568 30.333 31.823 0.130 0.000 0.658 760 V HN 0.093 nan 8.190 nan 0.000 0.452 761 A N -0.462 122.348 122.820 -0.016 0.000 1.930 761 A HA -0.209 3.347 4.320 -1.274 0.000 0.217 761 A C 2.057 179.602 177.584 -0.065 0.000 1.175 761 A CA 1.614 53.625 52.037 -0.044 0.000 0.627 761 A CB -0.452 18.512 19.000 -0.059 0.000 0.815 761 A HN 0.628 nan 8.150 nan 0.000 0.443 762 E N -0.438 119.701 120.200 -0.103 0.000 2.409 762 E HA -0.050 3.536 4.350 -1.274 0.000 0.198 762 E C 1.819 178.389 176.600 -0.052 0.000 1.024 762 E CA 0.401 56.764 56.400 -0.062 0.000 0.861 762 E CB -0.225 29.439 29.700 -0.061 0.000 0.788 762 E HN 0.631 nan 8.360 nan 0.000 0.521 763 G N 0.775 109.562 108.800 -0.021 0.000 2.464 763 G HA2 -0.136 3.060 3.960 -1.274 0.000 0.217 763 G HA3 -0.136 3.060 3.960 -1.274 0.000 0.217 763 G C 1.503 176.449 174.900 0.077 0.000 1.138 763 G CA 0.228 45.349 45.100 0.036 0.000 0.793 763 G HN 0.262 nan 8.290 nan 0.000 0.539 764 I N -1.136 119.412 120.570 -0.036 0.000 4.338 764 I HA 0.301 3.707 4.170 -1.274 0.000 0.315 764 I C 2.138 178.206 176.117 -0.082 0.000 1.262 764 I CA -0.022 61.216 61.300 -0.103 0.000 1.298 764 I CB 0.266 37.912 38.000 -0.589 0.000 1.257 764 I HN -0.018 nan 8.210 nan 0.000 0.444 765 L N 1.956 123.095 121.223 -0.140 0.000 2.079 765 L HA -0.115 3.461 4.340 -1.274 0.000 0.210 765 L C -0.651 176.148 176.870 -0.119 0.000 1.081 765 L CA 1.508 56.269 54.840 -0.133 0.000 0.752 765 L CB -1.952 40.085 42.059 -0.036 0.000 0.896 765 L HN 0.225 nan 8.230 nan 0.000 0.433 766 P HA -0.151 nan 4.420 nan 0.000 0.220 766 P C 1.378 178.455 177.300 -0.371 0.000 1.148 766 P CA 1.356 64.268 63.100 -0.313 0.000 0.803 766 P CB -0.003 31.419 31.700 -0.464 0.000 0.782 767 F N -0.552 119.316 119.950 -0.135 0.000 2.325 767 F HA -0.013 3.750 4.527 -1.274 0.000 0.299 767 F C 1.808 177.533 175.800 -0.125 0.000 1.090 767 F CA 0.908 58.818 58.000 -0.149 0.000 1.392 767 F CB -0.906 37.974 39.000 -0.199 0.000 1.053 767 F HN -0.077 nan 8.300 nan 0.000 0.521 768 I N -2.337 118.247 120.570 0.022 0.000 3.856 768 I HA 0.278 3.684 4.170 -1.274 0.000 0.333 768 I C -0.220 175.910 176.117 0.022 0.000 1.525 768 I CA -0.148 61.162 61.300 0.017 0.000 1.173 768 I CB -0.738 37.263 38.000 0.001 0.000 1.175 768 I HN 0.041 nan 8.210 nan 0.000 0.424 769 E N 1.454 121.645 120.200 -0.015 0.000 2.297 769 E HA -0.240 3.346 4.350 -1.274 0.000 0.228 769 E C -0.479 176.129 176.600 0.014 0.000 1.213 769 E CA 0.690 57.081 56.400 -0.016 0.000 0.712 769 E CB -0.999 28.698 29.700 -0.004 0.000 1.202 769 E HN 0.658 nan 8.360 nan 0.000 0.376 770 D N 0.319 120.731 120.400 0.019 0.000 2.481 770 D HA 0.287 4.163 4.640 -1.274 0.000 0.244 770 D C -0.951 175.381 176.300 0.053 0.000 1.057 770 D CA -0.588 53.454 54.000 0.070 0.000 0.848 770 D CB 1.116 42.014 40.800 0.163 0.000 1.388 770 D HN 0.090 nan 8.370 nan 0.000 0.475 771 N N 3.202 121.942 118.700 0.066 0.000 2.362 771 N HA 0.105 4.081 4.740 -1.274 0.000 0.298 771 N C 0.163 175.746 175.510 0.122 0.000 1.048 771 N CA -0.411 52.684 53.050 0.074 0.000 0.858 771 N CB 0.982 39.490 38.487 0.035 0.000 1.218 771 N HN 0.337 nan 8.380 nan 0.000 0.488 772 F N 3.909 123.873 119.950 0.024 0.000 2.259 772 F HA 0.101 3.864 4.527 -1.273 0.000 0.298 772 F C 2.029 177.847 175.800 0.029 0.000 1.088 772 F CA 1.392 59.419 58.000 0.045 0.000 1.358 772 F CB -0.041 38.990 39.000 0.051 0.000 1.040 772 F HN 0.678 nan 8.300 nan 0.000 0.505 773 A N -0.498 122.348 122.820 0.043 0.000 1.858 773 A HA -0.188 3.367 4.320 -1.274 0.000 0.216 773 A C 2.253 179.764 177.584 -0.122 0.000 1.190 773 A CA 2.373 54.383 52.037 -0.044 0.000 0.617 773 A CB -1.479 17.540 19.000 0.032 0.000 0.827 773 A HN 0.378 nan 8.150 nan 0.000 0.443 774 T N -0.186 114.324 114.554 -0.074 0.000 2.746 774 T HA -0.099 3.487 4.350 -1.274 0.000 0.267 774 T C 1.824 176.450 174.700 -0.123 0.000 1.039 774 T CA 1.464 63.518 62.100 -0.077 0.000 1.142 774 T CB -0.345 68.500 68.868 -0.038 0.000 0.866 774 T HN 0.228 nan 8.240 nan 0.000 0.444 775 L N 1.633 122.769 121.223 -0.145 0.000 1.970 775 L HA -0.079 3.497 4.340 -1.274 0.000 0.212 775 L C 2.482 179.197 176.870 -0.259 0.000 1.071 775 L CA 2.218 56.959 54.840 -0.164 0.000 0.751 775 L CB -0.840 41.156 42.059 -0.105 0.000 0.889 775 L HN 0.454 nan 8.230 nan 0.000 0.432 776 M N -3.242 116.071 119.600 -0.479 0.000 2.175 776 M HA -0.126 3.589 4.480 -1.274 0.000 0.264 776 M C 1.942 178.073 176.300 -0.281 0.000 1.063 776 M CA 2.396 57.426 55.300 -0.451 0.000 1.119 776 M CB -1.274 30.887 32.600 -0.733 0.000 1.377 776 M HN 0.038 nan 8.290 nan 0.000 0.415 777 T N 0.799 115.202 114.554 -0.251 0.000 2.833 777 T HA -0.020 3.565 4.350 -1.274 0.000 0.269 777 T C 1.822 176.412 174.700 -0.184 0.000 1.054 777 T CA 1.618 63.605 62.100 -0.188 0.000 1.135 777 T CB -0.770 68.020 68.868 -0.130 0.000 0.869 777 T HN 0.756 nan 8.240 nan 0.000 0.466 778 G N 0.452 109.156 108.800 -0.159 0.000 2.422 778 G HA2 -0.198 2.998 3.960 -1.274 0.000 0.218 778 G HA3 -0.198 2.998 3.960 -1.274 0.000 0.218 778 G C 1.381 176.197 174.900 -0.140 0.000 1.140 778 G CA 0.883 45.904 45.100 -0.132 0.000 0.775 778 G HN 0.545 nan 8.290 nan 0.000 0.545 779 Q N -1.112 118.596 119.800 -0.153 0.000 2.016 779 Q HA 0.204 3.779 4.340 -1.274 0.000 0.200 779 Q C 0.279 176.185 176.000 -0.157 0.000 0.978 779 Q CA 0.842 56.562 55.803 -0.139 0.000 0.833 779 Q CB -0.014 28.642 28.738 -0.137 0.000 0.895 779 Q HN 0.325 nan 8.270 nan 0.000 0.427 783 F N 0.000 119.936 119.950 -0.023 0.000 2.286 783 F HA 0.000 3.763 4.527 -1.274 0.000 0.279 783 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 783 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 783 F HN 0.000 nan 8.300 nan 0.000 0.574