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 3k5m_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 XXKNGXFFAQ AKGRLIIDGI EALKSAFWNF SSFSLETVAQ DATA SEQUENCE ELLGEGXSID NPWDRMDEID 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 ED 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 0.000 177.347 177.300 0.078 0.000 1.155 -1 P CA 0.000 63.138 63.100 0.064 0.000 0.800 -1 P CB 0.000 31.722 31.700 0.036 0.000 0.726 0 H N 3.214 122.291 119.070 0.011 0.000 2.707 0 H HA 0.546 5.177 4.556 0.126 0.000 0.359 0 H C -0.217 175.112 175.328 0.003 0.000 1.113 0 H CA 0.342 56.395 56.048 0.009 0.000 1.422 0 H CB 1.181 30.954 29.762 0.019 0.000 1.443 0 H HN 0.550 nan 8.280 nan 0.000 0.591 1 M N 2.859 122.405 119.600 -0.091 0.000 2.520 1 M HA 0.641 5.197 4.480 0.126 0.000 0.283 1 M C -2.197 174.045 176.300 -0.097 0.000 1.237 1 M CA -0.792 54.485 55.300 -0.037 0.000 0.885 1 M CB 2.686 35.247 32.600 -0.066 0.000 1.727 1 M HN 0.499 nan 8.290 nan 0.000 0.468 2 A N 2.569 125.327 122.820 -0.103 0.000 2.520 2 A HA 0.816 5.211 4.320 0.126 0.000 0.298 2 A C -1.515 175.712 177.584 -0.595 0.000 1.051 2 A CA -0.341 51.507 52.037 -0.315 0.000 0.690 2 A CB 1.955 20.925 19.000 -0.050 0.000 1.281 2 A HN 1.081 nan 8.150 nan 0.000 0.402 3 Q N 0.697 119.840 119.800 -1.095 0.000 2.804 3 Q HA 0.724 5.140 4.340 0.126 0.000 0.302 3 Q C -0.814 174.569 176.000 -1.028 0.000 0.885 3 Q CA -0.597 54.564 55.803 -1.071 0.000 0.759 3 Q CB 1.275 29.764 28.738 -0.416 0.000 1.465 3 Q HN 1.811 nan 8.270 nan 0.000 0.432 4 A N -0.006 122.522 122.820 -0.486 0.000 2.371 4 A HA 0.818 5.213 4.320 0.126 0.000 0.257 4 A C 0.175 177.442 177.584 -0.529 0.000 1.089 4 A CA 0.525 52.348 52.037 -0.357 0.000 0.794 4 A CB 0.545 19.264 19.000 -0.469 0.000 1.029 4 A HN 0.938 nan 8.150 nan 0.000 0.488 5 G N -0.819 107.729 108.800 -0.419 0.000 2.692 5 G HA2 0.559 4.595 3.960 0.126 0.000 0.291 5 G HA3 0.559 4.595 3.960 0.126 0.000 0.291 5 G C -1.747 173.313 174.900 0.267 0.000 1.423 5 G CA -0.451 44.611 45.100 -0.064 0.000 0.843 5 G HN 0.790 nan 8.290 nan 0.000 0.486 6 F N 1.093 121.206 119.950 0.270 0.000 2.536 6 F HA 0.579 5.181 4.527 0.126 0.000 0.322 6 F C 0.225 176.132 175.800 0.178 0.000 1.144 6 F CA -0.969 57.183 58.000 0.254 0.000 0.924 6 F CB 1.357 40.524 39.000 0.278 0.000 1.181 6 F HN 0.360 nan 8.300 nan 0.000 0.438 7 I N 7.243 127.815 120.570 0.003 0.000 2.683 7 I HA -0.078 4.167 4.170 0.126 0.000 0.286 7 I C 0.580 176.868 176.117 0.285 0.000 1.175 7 I CA 0.600 61.969 61.300 0.114 0.000 1.429 7 I CB 0.687 38.652 38.000 -0.059 0.000 1.371 7 I HN 0.779 nan 8.210 nan 0.000 0.569 8 L N 4.594 126.017 121.223 0.334 0.000 2.347 8 L HA 0.164 4.579 4.340 0.126 0.000 0.196 8 L C 0.786 177.801 176.870 0.240 0.000 1.072 8 L CA 0.572 55.596 54.840 0.307 0.000 0.817 8 L CB 0.003 42.249 42.059 0.312 0.000 1.029 8 L HN 0.745 nan 8.230 nan 0.000 0.478 9 T N -1.521 113.211 114.554 0.297 0.000 2.900 9 T HA 0.597 5.023 4.350 0.126 0.000 0.303 9 T C -0.643 174.097 174.700 0.068 0.000 1.142 9 T CA -0.861 61.328 62.100 0.148 0.000 1.007 9 T CB 2.582 71.536 68.868 0.142 0.000 1.156 9 T HN 0.012 nan 8.240 nan 0.000 0.490 10 R N 0.822 121.171 120.500 -0.252 0.000 2.589 10 R HA 0.742 5.158 4.340 0.126 0.000 0.293 10 R C -1.092 174.729 176.300 -0.799 0.000 0.963 10 R CA -0.922 54.997 56.100 -0.302 0.000 0.905 10 R CB 1.304 31.641 30.300 0.062 0.000 1.144 10 R HN 0.775 nan 8.270 nan 0.000 0.459 11 H N 1.109 120.087 119.070 -0.154 0.000 2.996 11 H HA 0.475 5.106 4.556 0.126 0.000 0.368 11 H C -1.217 174.063 175.328 -0.079 0.000 1.185 11 H CA -0.910 55.074 56.048 -0.107 0.000 1.160 11 H CB 1.778 31.497 29.762 -0.073 0.000 1.820 11 H HN 0.675 nan 8.280 nan 0.000 0.547 12 W N 1.741 123.016 121.300 -0.041 0.000 3.217 12 W HA 0.701 5.436 4.660 0.125 0.000 0.323 12 W C -1.759 174.738 176.519 -0.037 0.000 1.216 12 W CA -1.072 56.220 57.345 -0.088 0.000 1.194 12 W CB 2.035 31.408 29.460 -0.146 0.000 1.397 12 W HN 0.849 nan 8.180 nan 0.000 0.537 13 R N 1.361 121.928 120.500 0.113 0.000 2.604 13 R HA 0.348 4.764 4.340 0.126 0.000 0.270 13 R C -1.391 175.024 176.300 0.190 0.000 1.052 13 R CA -0.744 55.338 56.100 -0.029 0.000 0.902 13 R CB 1.929 32.150 30.300 -0.130 0.000 1.233 13 R HN 0.170 nan 8.270 nan 0.000 0.455 14 D N 1.951 122.481 120.400 0.217 0.000 2.345 14 D HA 0.280 4.996 4.640 0.126 0.000 0.247 14 D C -0.118 176.232 176.300 0.084 0.000 1.108 14 D CA 0.715 54.827 54.000 0.186 0.000 0.894 14 D CB 1.824 42.741 40.800 0.196 0.000 1.203 14 D HN 0.662 nan 8.370 nan 0.000 0.430 15 T N -1.379 113.215 114.554 0.066 0.000 2.841 15 T HA 0.466 4.891 4.350 0.126 0.000 0.296 15 T C -2.307 172.411 174.700 0.030 0.000 1.166 15 T CA -1.504 60.617 62.100 0.035 0.000 1.007 15 T CB 1.755 70.635 68.868 0.020 0.000 1.253 15 T HN -0.105 nan 8.240 nan 0.000 0.511 16 P HA 0.020 nan 4.420 nan 0.000 0.218 16 P C 1.028 178.337 177.300 0.016 0.000 1.149 16 P CA 0.987 64.098 63.100 0.018 0.000 0.817 16 P CB -0.001 31.706 31.700 0.012 0.000 0.785 17 Q N -0.923 118.883 119.800 0.011 0.000 2.482 17 Q HA 0.330 4.746 4.340 0.126 0.000 0.209 17 Q C 1.041 177.048 176.000 0.012 0.000 0.961 17 Q CA 0.668 56.475 55.803 0.006 0.000 0.945 17 Q CB -0.287 28.447 28.738 -0.006 0.000 1.012 17 Q HN 0.200 nan 8.270 nan 0.000 0.515 18 G N -1.016 107.798 108.800 0.023 0.000 2.408 18 G HA2 -0.131 3.905 3.960 0.126 0.000 0.682 18 G HA3 -0.131 3.905 3.960 0.126 0.000 0.682 18 G C -0.785 174.142 174.900 0.045 0.000 1.303 18 G CA -0.811 44.309 45.100 0.033 0.000 0.966 18 G HN -0.070 nan 8.290 nan 0.000 0.560 19 T N 1.147 115.735 114.554 0.056 0.000 2.814 19 T HA 0.439 4.864 4.350 0.126 0.000 0.297 19 T C 0.394 175.127 174.700 0.055 0.000 0.956 19 T CA 0.469 62.621 62.100 0.086 0.000 1.123 19 T CB 1.192 70.116 68.868 0.093 0.000 0.902 19 T HN 0.612 nan 8.240 nan 0.000 0.528 20 E N 3.421 123.663 120.200 0.070 0.000 2.134 20 E HA 0.420 4.846 4.350 0.126 0.000 0.278 20 E C -1.248 175.367 176.600 0.026 0.000 0.959 20 E CA -0.612 55.799 56.400 0.019 0.000 0.783 20 E CB 0.775 30.474 29.700 -0.001 0.000 1.095 20 E HN 0.298 nan 8.360 nan 0.000 0.399 21 V N 4.045 123.929 119.914 -0.050 0.000 2.448 21 V HA 0.422 4.617 4.120 0.126 0.000 0.295 21 V C -0.291 175.658 176.094 -0.241 0.000 1.025 21 V CA -0.505 61.721 62.300 -0.124 0.000 0.859 21 V CB 1.491 33.227 31.823 -0.145 0.000 0.988 21 V HN 0.781 nan 8.190 nan 0.000 0.431 22 S N 3.955 119.441 115.700 -0.358 0.000 2.588 22 S HA 0.891 5.437 4.470 0.126 0.000 0.275 22 S C -1.292 173.001 174.600 -0.513 0.000 1.130 22 S CA -0.697 57.302 58.200 -0.336 0.000 0.855 22 S CB 2.032 65.122 63.200 -0.183 0.000 1.116 22 S HN 0.294 nan 8.310 nan 0.000 0.472 23 F N -0.444 119.539 119.950 0.056 0.000 2.588 23 F HA 0.639 5.241 4.527 0.125 0.000 0.314 23 F C -1.096 174.723 175.800 0.032 0.000 1.069 23 F CA -0.794 57.289 58.000 0.139 0.000 0.931 23 F CB 1.464 40.522 39.000 0.097 0.000 1.260 23 F HN 0.626 nan 8.300 nan 0.000 0.465 24 W N 3.863 125.384 121.300 0.368 0.000 2.429 24 W HA 0.749 5.485 4.660 0.127 0.000 0.314 24 W C -1.093 175.568 176.519 0.238 0.000 1.062 24 W CA -0.429 57.066 57.345 0.250 0.000 1.211 24 W CB 1.246 30.846 29.460 0.233 0.000 1.305 24 W HN 0.167 nan 8.180 nan 0.000 0.476 25 L N 3.286 124.725 121.223 0.361 0.000 2.322 25 L HA 0.901 5.316 4.340 0.126 0.000 0.269 25 L C 0.177 177.232 176.870 0.308 0.000 1.012 25 L CA -1.518 53.501 54.840 0.297 0.000 0.815 25 L CB 1.331 43.494 42.059 0.174 0.000 1.295 25 L HN 0.396 nan 8.230 nan 0.000 0.438 26 A N 0.675 123.688 122.820 0.323 0.000 2.304 26 A HA 0.869 5.265 4.320 0.126 0.000 0.323 26 A C -0.062 177.701 177.584 0.298 0.000 1.195 26 A CA 0.122 52.330 52.037 0.285 0.000 0.826 26 A CB 1.009 20.170 19.000 0.269 0.000 1.184 26 A HN 0.899 nan 8.150 nan 0.000 0.496 27 T N -0.152 114.539 114.554 0.229 0.000 2.864 27 T HA 0.540 4.965 4.350 0.126 0.000 0.289 27 T C 0.398 175.220 174.700 0.203 0.000 1.082 27 T CA -0.454 61.769 62.100 0.205 0.000 1.009 27 T CB 0.641 nan 68.868 nan 0.000 1.234 27 T HN 0.335 nan 8.240 nan 0.000 0.526 28 D N 0.526 121.046 120.400 0.200 0.000 2.178 28 D HA -0.052 4.664 4.640 0.126 0.000 0.201 28 D C 0.891 177.255 176.300 0.107 0.000 0.980 28 D CA 1.329 55.432 54.000 0.172 0.000 0.842 28 D CB 0.115 41.015 40.800 0.167 0.000 0.948 28 D HN 0.548 nan 8.370 nan 0.000 0.472 29 N N -0.321 118.430 118.700 0.084 0.000 2.279 29 N HA 0.396 5.211 4.740 0.126 0.000 0.226 29 N C 0.389 175.939 175.510 0.066 0.000 1.126 29 N CA 0.377 53.464 53.050 0.061 0.000 0.846 29 N CB 1.298 39.810 38.487 0.041 0.000 1.050 29 N HN 0.154 nan 8.380 nan 0.000 0.502 30 G N 0.665 109.518 108.800 0.089 0.000 2.466 30 G HA2 -0.148 3.887 3.960 0.126 0.000 0.316 30 G HA3 -0.148 3.887 3.960 0.126 0.000 0.316 30 G C -2.943 172.038 174.900 0.134 0.000 1.270 30 G CA -1.140 44.020 45.100 0.100 0.000 0.982 30 G HN 0.013 nan 8.290 nan 0.000 0.506 31 P HA 0.495 nan 4.420 nan 0.000 0.271 31 P C -0.808 176.636 177.300 0.240 0.000 1.216 31 P CA 0.084 63.336 63.100 0.253 0.000 0.771 31 P CB 1.514 33.388 31.700 0.290 0.000 0.864 32 L N 2.674 124.029 121.223 0.220 0.000 2.404 32 L HA 0.332 4.748 4.340 0.126 0.000 0.272 32 L C -0.145 176.647 176.870 -0.130 0.000 0.980 32 L CA -0.549 54.321 54.840 0.050 0.000 0.836 32 L CB 1.874 43.936 42.059 0.006 0.000 1.238 32 L HN 0.354 nan 8.230 nan 0.000 0.408 33 Q N 3.410 122.917 119.800 -0.489 0.000 2.286 33 Q HA 0.553 4.969 4.340 0.126 0.000 0.257 33 Q C -1.611 174.107 176.000 -0.471 0.000 0.941 33 Q CA -0.328 54.872 55.803 -1.006 0.000 0.912 33 Q CB 1.275 29.084 28.738 -1.548 0.000 1.192 33 Q HN 0.580 nan 8.270 nan 0.000 0.410 34 V N 3.779 123.484 119.914 -0.348 0.000 2.531 34 V HA 0.400 4.595 4.120 0.126 0.000 0.301 34 V C -0.676 175.355 176.094 -0.104 0.000 1.034 34 V CA -0.571 61.642 62.300 -0.146 0.000 0.865 34 V CB 2.246 34.062 31.823 -0.012 0.000 0.995 34 V HN 0.849 nan 8.190 nan 0.000 0.424 35 T N 6.156 120.648 114.554 -0.104 0.000 2.812 35 T HA 0.623 5.049 4.350 0.126 0.000 0.282 35 T C -0.156 174.494 174.700 -0.084 0.000 0.990 35 T CA -0.420 61.621 62.100 -0.099 0.000 0.960 35 T CB 1.108 69.909 68.868 -0.112 0.000 0.948 35 T HN 0.345 nan 8.240 nan 0.000 0.438 36 L N 1.837 123.001 121.223 -0.099 0.000 2.475 36 L HA 0.627 5.043 4.340 0.126 0.000 0.253 36 L C 1.181 177.988 176.870 -0.106 0.000 1.198 36 L CA -1.096 53.664 54.840 -0.134 0.000 0.814 36 L CB 0.105 42.003 42.059 -0.269 0.000 1.134 36 L HN 0.675 nan 8.230 nan 0.000 0.478 37 A N 0.985 123.752 122.820 -0.088 0.000 2.366 37 A HA 0.424 4.820 4.320 0.126 0.000 0.249 37 A C -2.232 175.320 177.584 -0.054 0.000 1.084 37 A CA -1.131 50.874 52.037 -0.054 0.000 0.794 37 A CB -0.655 18.330 19.000 -0.024 0.000 1.034 37 A HN 0.475 nan 8.150 nan 0.000 0.491 38 P HA 0.057 nan 4.420 nan 0.000 0.264 38 P C -0.793 176.504 177.300 -0.006 0.000 1.183 38 P CA 0.568 63.659 63.100 -0.016 0.000 0.763 38 P CB 0.324 32.022 31.700 -0.003 0.000 0.807 39 Q N 2.216 122.015 119.800 -0.001 0.000 2.333 39 Q HA 0.290 4.706 4.340 0.126 0.000 0.267 39 Q C 0.030 176.054 176.000 0.040 0.000 1.012 39 Q CA -0.535 55.279 55.803 0.019 0.000 0.824 39 Q CB 2.026 30.762 28.738 -0.003 0.000 1.290 39 Q HN 0.480 nan 8.270 nan 0.000 0.449 40 E N 0.756 120.999 120.200 0.072 0.000 2.374 40 E HA 0.301 4.727 4.350 0.126 0.000 0.260 40 E C -0.502 176.153 176.600 0.091 0.000 1.101 40 E CA -0.132 56.329 56.400 0.101 0.000 0.907 40 E CB 1.012 30.812 29.700 0.165 0.000 1.014 40 E HN 0.329 nan 8.360 nan 0.000 0.427 41 S N 0.692 116.440 115.700 0.080 0.000 2.549 41 S HA 0.453 4.999 4.470 0.126 0.000 0.297 41 S C -0.941 173.633 174.600 -0.043 0.000 1.115 41 S CA -0.671 57.554 58.200 0.042 0.000 1.059 41 S CB 1.670 64.925 63.200 0.092 0.000 1.046 41 S HN 0.280 nan 8.310 nan 0.000 0.506 42 V N 1.796 121.614 119.914 -0.160 0.000 2.841 42 V HA 0.935 5.130 4.120 0.126 0.000 0.310 42 V C -0.881 174.881 176.094 -0.553 0.000 1.090 42 V CA -0.326 61.702 62.300 -0.454 0.000 0.930 42 V CB 1.764 33.209 31.823 -0.630 0.000 1.014 42 V HN 1.062 nan 8.190 nan 0.000 0.425 43 A N 4.669 127.070 122.820 -0.699 0.000 2.569 43 A HA 0.993 5.388 4.320 0.126 0.000 0.290 43 A C -1.755 175.344 177.584 -0.809 0.000 1.136 43 A CA -0.552 51.081 52.037 -0.674 0.000 0.710 43 A CB 1.707 20.546 19.000 -0.268 0.000 1.303 43 A HN 0.758 nan 8.150 nan 0.000 0.413 44 F N -0.522 119.477 119.950 0.082 0.000 2.546 44 F HA 0.785 5.388 4.527 0.126 0.000 0.320 44 F C -0.125 175.765 175.800 0.150 0.000 1.076 44 F CA -0.625 57.464 58.000 0.149 0.000 0.928 44 F CB 1.887 41.031 39.000 0.240 0.000 1.189 44 F HN 0.323 nan 8.300 nan 0.000 0.465 45 I N 2.460 123.227 120.570 0.327 0.000 2.686 45 I HA 0.408 4.653 4.170 0.126 0.000 0.295 45 I C -2.648 173.594 176.117 0.209 0.000 1.114 45 I CA -2.395 58.997 61.300 0.153 0.000 1.038 45 I CB 2.729 40.755 38.000 0.043 0.000 1.238 45 I HN 0.264 nan 8.210 nan 0.000 0.420 46 P HA 0.044 nan 4.420 nan 0.000 0.268 46 P C 0.195 177.533 177.300 0.065 0.000 1.204 46 P CA 0.106 63.304 63.100 0.163 0.000 0.768 46 P CB 0.959 32.722 31.700 0.105 0.000 0.842 47 A N 4.039 126.920 122.820 0.101 0.000 1.933 47 A HA -0.206 4.189 4.320 0.126 0.000 0.218 47 A C 1.545 179.071 177.584 -0.097 0.000 1.175 47 A CA 2.007 54.040 52.037 -0.008 0.000 0.628 47 A CB -1.241 17.890 19.000 0.217 0.000 0.814 47 A HN 0.615 nan 8.150 nan 0.000 0.444 48 D N -0.257 120.132 120.400 -0.018 0.000 2.350 48 D HA -0.156 4.560 4.640 0.126 0.000 0.216 48 D C 1.479 177.744 176.300 -0.058 0.000 0.968 48 D CA 1.097 55.079 54.000 -0.031 0.000 0.894 48 D CB -0.554 40.246 40.800 -0.001 0.000 0.909 48 D HN 0.646 nan 8.370 nan 0.000 0.520 49 Q N -0.051 119.705 119.800 -0.073 0.000 2.282 49 Q HA 0.155 4.570 4.340 0.126 0.000 0.206 49 Q C 1.844 177.778 176.000 -0.110 0.000 0.878 49 Q CA -0.107 55.648 55.803 -0.080 0.000 0.944 49 Q CB 0.853 29.549 28.738 -0.070 0.000 1.100 49 Q HN 0.176 nan 8.270 nan 0.000 0.509 50 V N 1.784 121.590 119.914 -0.181 0.000 2.392 50 V HA -0.187 4.008 4.120 0.126 0.000 0.249 50 V C -0.778 175.241 176.094 -0.124 0.000 1.059 50 V CA 1.867 64.031 62.300 -0.227 0.000 1.051 50 V CB -1.290 30.204 31.823 -0.548 0.000 0.658 50 V HN 0.225 nan 8.190 nan 0.000 0.455 51 P HA -0.172 nan 4.420 nan 0.000 0.215 51 P C 1.819 179.106 177.300 -0.022 0.000 1.157 51 P CA 1.494 64.563 63.100 -0.051 0.000 0.868 51 P CB -0.105 31.560 31.700 -0.058 0.000 0.788 52 R N -0.460 120.018 120.500 -0.036 0.000 2.115 52 R HA -0.058 4.358 4.340 0.126 0.000 0.230 52 R C 2.073 178.381 176.300 0.013 0.000 1.111 52 R CA 1.360 57.459 56.100 -0.002 0.000 0.976 52 R CB -0.705 29.580 30.300 -0.025 0.000 0.870 52 R HN 0.054 nan 8.270 nan 0.000 0.445 53 A N 0.631 123.430 122.820 -0.034 0.000 1.902 53 A HA -0.226 4.170 4.320 0.126 0.000 0.217 53 A C 2.024 179.578 177.584 -0.049 0.000 1.181 53 A CA 1.379 53.377 52.037 -0.064 0.000 0.623 53 A CB -0.471 18.485 19.000 -0.074 0.000 0.818 53 A HN 0.437 nan 8.150 nan 0.000 0.443 54 Q N -1.604 118.204 119.800 0.013 0.000 2.084 54 Q HA -0.208 4.207 4.340 0.126 0.000 0.202 54 Q C 2.160 178.198 176.000 0.063 0.000 0.978 54 Q CA 1.581 57.424 55.803 0.068 0.000 0.844 54 Q CB -0.306 28.480 28.738 0.082 0.000 0.898 54 Q HN 0.901 nan 8.270 nan 0.000 0.426 55 H N 0.149 119.198 119.070 -0.036 0.000 2.321 55 H HA -0.121 4.511 4.556 0.126 0.000 0.300 55 H C 1.999 177.289 175.328 -0.063 0.000 1.087 55 H CA 1.499 57.524 56.048 -0.039 0.000 1.319 55 H CB 0.054 29.793 29.762 -0.039 0.000 1.379 55 H HN 0.237 nan 8.280 nan 0.000 0.501 56 I N 0.812 121.323 120.570 -0.097 0.000 2.286 56 I HA -0.253 3.992 4.170 0.126 0.000 0.248 56 I C 1.852 177.818 176.117 -0.252 0.000 1.115 56 I CA 0.870 62.057 61.300 -0.189 0.000 1.392 56 I CB 0.047 37.965 38.000 -0.137 0.000 1.065 56 I HN 0.228 nan 8.210 nan 0.000 0.418 57 L N 0.594 121.655 121.223 -0.270 0.000 2.629 57 L HA 0.087 4.503 4.340 0.126 0.000 0.230 57 L C 0.997 177.764 176.870 -0.172 0.000 1.151 57 L CA -0.194 54.415 54.840 -0.386 0.000 0.924 57 L CB -0.393 41.239 42.059 -0.712 0.000 1.137 57 L HN 0.302 nan 8.230 nan 0.000 0.457 58 Q N 1.021 120.751 119.800 -0.118 0.000 2.283 58 Q HA 0.044 4.459 4.340 0.126 0.000 0.301 58 Q C 1.200 177.189 176.000 -0.017 0.000 1.063 58 Q CA 1.150 56.928 55.803 -0.042 0.000 0.952 58 Q CB 0.451 29.130 28.738 -0.098 0.000 1.166 58 Q HN 0.434 nan 8.270 nan 0.000 0.381 59 G N 2.958 111.786 108.800 0.046 0.000 2.199 59 G HA2 -0.218 3.817 3.960 0.126 0.000 0.254 59 G HA3 -0.218 3.817 3.960 0.126 0.000 0.254 59 G C -0.241 174.716 174.900 0.095 0.000 0.982 59 G CA 0.212 45.344 45.100 0.053 0.000 0.632 59 G HN 0.656 nan 8.290 nan 0.000 0.529 60 E N 1.335 121.622 120.200 0.146 0.000 2.373 60 E HA 0.309 4.735 4.350 0.126 0.000 0.267 60 E C 0.769 177.578 176.600 0.348 0.000 1.032 60 E CA 0.176 56.710 56.400 0.224 0.000 0.889 60 E CB 0.606 30.378 29.700 0.120 0.000 0.984 60 E HN 0.667 nan 8.360 nan 0.000 0.425 61 Q N -0.351 119.614 119.800 0.276 0.000 2.204 61 Q HA 0.475 4.891 4.340 0.126 0.000 0.254 61 Q C 0.587 176.753 176.000 0.276 0.000 0.981 61 Q CA -0.584 55.348 55.803 0.215 0.000 0.897 61 Q CB 1.312 30.122 28.738 0.121 0.000 1.273 61 Q HN 0.787 nan 8.270 nan 0.000 0.464 62 G N 1.215 110.119 108.800 0.174 0.000 2.221 62 G HA2 -0.279 3.756 3.960 0.126 0.000 0.265 62 G HA3 -0.279 3.756 3.960 0.126 0.000 0.265 62 G C -0.404 174.665 174.900 0.282 0.000 1.041 62 G CA 0.981 46.183 45.100 0.171 0.000 0.807 62 G HN 0.562 nan 8.290 nan 0.000 0.502 63 F N -1.572 118.458 119.950 0.133 0.000 2.685 63 F HA 0.923 5.526 4.527 0.126 0.000 0.315 63 F C -0.549 175.337 175.800 0.143 0.000 1.126 63 F CA -1.398 56.705 58.000 0.172 0.000 0.950 63 F CB 1.270 40.438 39.000 0.280 0.000 1.360 63 F HN 0.439 nan 8.300 nan 0.000 0.469 64 R N 2.167 122.722 120.500 0.091 0.000 2.680 64 R HA 0.750 5.165 4.340 0.126 0.000 0.269 64 R C -2.570 173.925 176.300 0.325 0.000 1.026 64 R CA -1.052 55.014 56.100 -0.055 0.000 0.889 64 R CB 2.015 32.302 30.300 -0.022 0.000 1.241 64 R HN 0.924 nan 8.270 nan 0.000 0.463 65 L N 2.055 123.438 121.223 0.267 0.000 2.319 65 L HA 0.511 4.926 4.340 0.126 0.000 0.281 65 L C -0.668 176.421 176.870 0.364 0.000 1.005 65 L CA -0.610 54.472 54.840 0.404 0.000 0.828 65 L CB 2.251 44.557 42.059 0.413 0.000 1.227 65 L HN 0.915 nan 8.230 nan 0.000 0.415 66 T N 3.452 118.212 114.554 0.342 0.000 2.916 66 T HA 0.567 4.992 4.350 0.126 0.000 0.298 66 T C -2.839 171.727 174.700 -0.222 0.000 1.031 66 T CA -2.052 60.082 62.100 0.058 0.000 0.993 66 T CB 2.231 71.109 68.868 0.017 0.000 1.045 66 T HN 0.177 nan 8.240 nan 0.000 0.454 67 P HA 0.321 nan 4.420 nan 0.000 0.267 67 P C -0.825 176.297 177.300 -0.296 0.000 1.200 67 P CA -0.243 62.254 63.100 -1.004 0.000 0.772 67 P CB 0.659 31.786 31.700 -0.954 0.000 0.855 68 L N 1.022 122.168 121.223 -0.129 0.000 2.350 68 L HA 0.576 4.992 4.340 0.126 0.000 0.260 68 L C 0.571 177.416 176.870 -0.042 0.000 1.015 68 L CA -1.343 53.480 54.840 -0.027 0.000 0.821 68 L CB 1.996 44.097 42.059 0.069 0.000 1.370 68 L HN 0.213 nan 8.230 nan 0.000 0.416 69 A N 3.143 125.935 122.820 -0.045 0.000 3.077 69 A HA 0.621 5.016 4.320 0.126 0.000 0.255 69 A C -0.400 177.127 177.584 -0.096 0.000 1.728 69 A CA 0.192 52.190 52.037 -0.064 0.000 1.383 69 A CB -0.881 18.085 19.000 -0.056 0.000 1.097 69 A HN 0.505 nan 8.150 nan 0.000 0.634 70 L N -0.353 120.804 121.223 -0.109 0.000 2.469 70 L HA 0.570 4.985 4.340 0.126 0.000 0.256 70 L C -0.376 176.395 176.870 -0.165 0.000 1.006 70 L CA -0.731 54.004 54.840 -0.176 0.000 0.832 70 L CB 2.590 44.518 42.059 -0.217 0.000 1.421 70 L HN 0.294 nan 8.230 nan 0.000 0.410 71 K N 0.281 120.528 120.400 -0.255 0.000 2.477 71 K HA 0.409 4.805 4.320 0.126 0.000 0.255 71 K C -1.528 175.066 176.600 -0.010 0.000 0.952 71 K CA -0.971 55.217 56.287 -0.166 0.000 0.826 71 K CB 2.340 34.653 32.500 -0.312 0.000 1.331 71 K HN 0.649 nan 8.250 nan 0.000 0.437 72 D N -0.090 120.375 120.400 0.110 0.000 2.433 72 D HA 0.033 4.749 4.640 0.126 0.000 0.255 72 D C 0.621 177.174 176.300 0.421 0.000 1.226 72 D CA -0.264 53.815 54.000 0.131 0.000 1.015 72 D CB 0.282 41.104 40.800 0.038 0.000 1.091 72 D HN 0.286 nan 8.370 nan 0.000 0.527 73 F N -1.200 118.797 119.950 0.079 0.000 2.546 73 F HA 0.003 4.606 4.527 0.126 0.000 0.298 73 F C 1.444 177.269 175.800 0.043 0.000 1.120 73 F CA 0.630 58.671 58.000 0.068 0.000 1.456 73 F CB -0.545 38.446 39.000 -0.015 0.000 1.088 73 F HN 0.403 nan 8.300 nan 0.000 0.572 74 H N -0.785 118.424 119.070 0.232 0.000 2.519 74 H HA 0.296 4.928 4.556 0.126 0.000 0.289 74 H C 0.576 175.982 175.328 0.130 0.000 1.040 74 H CA -0.180 55.963 56.048 0.158 0.000 1.165 74 H CB -0.056 29.803 29.762 0.161 0.000 1.462 74 H HN -0.059 nan 8.280 nan 0.000 0.555 75 R N 0.043 120.688 120.500 0.242 0.000 3.641 75 R HA -0.219 4.196 4.340 0.126 0.000 0.286 75 R C -0.330 176.043 176.300 0.121 0.000 1.153 75 R CA 0.408 56.609 56.100 0.170 0.000 0.775 75 R CB -1.323 29.046 30.300 0.115 0.000 1.215 75 R HN 0.352 nan 8.270 nan 0.000 0.474 76 Q N 0.603 120.497 119.800 0.157 0.000 2.271 76 Q HA 0.417 4.833 4.340 0.126 0.000 0.258 76 Q C -2.521 173.547 176.000 0.113 0.000 0.936 76 Q CA -2.412 53.469 55.803 0.132 0.000 0.909 76 Q CB 1.420 30.256 28.738 0.162 0.000 1.253 76 Q HN -0.156 nan 8.270 nan 0.000 0.440 77 P HA 0.041 nan 4.420 nan 0.000 0.269 77 P C -1.192 176.211 177.300 0.171 0.000 1.209 77 P CA -0.205 62.947 63.100 0.086 0.000 0.776 77 P CB 0.686 32.438 31.700 0.087 0.000 0.876 78 V N 0.205 120.224 119.914 0.176 0.000 2.960 78 V HA 0.581 4.776 4.120 0.126 0.000 0.315 78 V C -1.102 175.226 176.094 0.389 0.000 1.087 78 V CA -0.893 61.584 62.300 0.295 0.000 0.982 78 V CB 1.601 33.582 31.823 0.263 0.000 1.039 78 V HN 0.271 nan 8.190 nan 0.000 0.437 79 Y N 0.622 121.040 120.300 0.197 0.000 2.457 79 Y HA 0.815 5.440 4.550 0.126 0.000 0.333 79 Y C 0.866 176.932 175.900 0.276 0.000 1.119 79 Y CA -0.266 57.958 58.100 0.207 0.000 1.143 79 Y CB 2.153 40.711 38.460 0.164 0.000 1.230 79 Y HN 1.031 nan 8.280 nan 0.000 0.469 80 G N 2.087 111.131 108.800 0.406 0.000 2.343 80 G HA2 0.474 4.509 3.960 0.126 0.000 0.319 80 G HA3 0.474 4.509 3.960 0.126 0.000 0.319 80 G C -1.770 173.139 174.900 0.015 0.000 1.126 80 G CA -0.504 44.681 45.100 0.142 0.000 0.889 80 G HN 0.491 nan 8.290 nan 0.000 0.457 81 L N 2.949 124.034 121.223 -0.229 0.000 2.262 81 L HA 0.604 5.019 4.340 0.126 0.000 0.288 81 L C -1.356 175.372 176.870 -0.237 0.000 1.035 81 L CA -1.190 53.623 54.840 -0.046 0.000 0.820 81 L CB 0.113 42.164 42.059 -0.013 0.000 1.204 81 L HN 0.469 nan 8.230 nan 0.000 0.424 82 Y N 3.887 124.282 120.300 0.158 0.000 2.352 82 Y HA 0.616 5.242 4.550 0.126 0.000 0.339 82 Y C 0.190 176.197 175.900 0.178 0.000 0.992 82 Y CA -0.406 57.762 58.100 0.114 0.000 1.100 82 Y CB 1.600 40.111 38.460 0.085 0.000 1.192 82 Y HN 0.540 nan 8.280 nan 0.000 0.458 83 C N 2.811 122.243 119.300 0.220 0.000 2.707 83 C HA 0.383 4.919 4.460 0.126 0.000 0.313 83 C C 1.379 176.435 174.990 0.110 0.000 1.209 83 C CA -1.141 57.971 59.018 0.157 0.000 1.635 83 C CB 2.060 29.798 27.740 -0.003 0.000 2.206 83 C HN 1.006 nan 8.230 nan 0.000 0.485 84 R N 1.156 121.711 120.500 0.091 0.000 2.200 84 R HA 0.284 4.699 4.340 0.126 0.000 0.208 84 R C 0.434 176.763 176.300 0.049 0.000 1.033 84 R CA 0.839 56.980 56.100 0.069 0.000 1.000 84 R CB 0.037 30.377 30.300 0.066 0.000 0.906 84 R HN 0.648 nan 8.270 nan 0.000 0.462 85 A N 0.669 123.499 122.820 0.018 0.000 2.386 85 A HA 0.353 4.749 4.320 0.126 0.000 0.311 85 A C -0.410 177.170 177.584 -0.007 0.000 1.068 85 A CA -0.734 51.319 52.037 0.028 0.000 0.743 85 A CB 1.421 20.430 19.000 0.015 0.000 1.258 85 A HN 0.300 nan 8.150 nan 0.000 0.429 86 H N 0.917 119.946 119.070 -0.068 0.000 2.389 86 H HA -0.017 4.614 4.556 0.126 0.000 0.299 86 H C 1.940 177.193 175.328 -0.125 0.000 1.081 86 H CA 2.234 58.170 56.048 -0.188 0.000 1.345 86 H CB 0.214 29.682 29.762 -0.491 0.000 1.393 86 H HN 0.665 nan 8.280 nan 0.000 0.520 87 R N 0.277 120.777 120.500 0.001 0.000 2.115 87 R HA -0.148 4.267 4.340 0.126 0.000 0.230 87 R C 2.311 178.502 176.300 -0.182 0.000 1.111 87 R CA 1.545 57.626 56.100 -0.032 0.000 0.976 87 R CB -0.092 30.258 30.300 0.084 0.000 0.870 87 R HN 0.549 nan 8.270 nan 0.000 0.445 88 Q N 0.459 120.111 119.800 -0.247 0.000 2.046 88 Q HA -0.189 4.226 4.340 0.126 0.000 0.200 88 Q C 2.143 177.708 176.000 -0.726 0.000 0.975 88 Q CA 1.478 56.986 55.803 -0.492 0.000 0.836 88 Q CB -0.119 28.352 28.738 -0.445 0.000 0.896 88 Q HN 0.316 nan 8.270 nan 0.000 0.428 89 L N 0.419 121.338 121.223 -0.508 0.000 2.046 89 L HA -0.146 4.270 4.340 0.126 0.000 0.208 89 L C 2.289 178.973 176.870 -0.309 0.000 1.077 89 L CA 1.723 56.329 54.840 -0.390 0.000 0.747 89 L CB -0.309 41.548 42.059 -0.336 0.000 0.896 89 L HN 0.314 nan 8.230 nan 0.000 0.432 90 M N -0.604 118.775 119.600 -0.368 0.000 2.117 90 M HA -0.201 4.355 4.480 0.126 0.000 0.262 90 M C 1.915 178.139 176.300 -0.126 0.000 1.065 90 M CA 1.576 56.731 55.300 -0.242 0.000 1.114 90 M CB -0.534 31.934 32.600 -0.220 0.000 1.361 90 M HN 0.336 nan 8.290 nan 0.000 0.408 91 N N -0.317 118.303 118.700 -0.132 0.000 2.120 91 N HA -0.150 4.666 4.740 0.126 0.000 0.188 91 N C 1.557 177.113 175.510 0.076 0.000 1.024 91 N CA 1.345 54.371 53.050 -0.041 0.000 0.852 91 N CB -0.426 38.027 38.487 -0.057 0.000 1.003 91 N HN 0.334 nan 8.380 nan 0.000 0.424 92 Y N 1.725 121.944 120.300 -0.135 0.000 2.181 92 Y HA -0.073 4.553 4.550 0.126 0.000 0.288 92 Y C 2.484 178.297 175.900 -0.145 0.000 1.146 92 Y CA 0.578 58.580 58.100 -0.164 0.000 1.164 92 Y CB -0.791 37.541 38.460 -0.213 0.000 0.982 92 Y HN 0.160 nan 8.280 nan 0.000 0.515 93 E N 1.001 121.221 120.200 0.034 0.000 2.077 93 E HA -0.227 4.198 4.350 0.126 0.000 0.193 93 E C 2.097 178.679 176.600 -0.031 0.000 0.989 93 E CA 1.298 57.681 56.400 -0.028 0.000 0.800 93 E CB 0.041 29.709 29.700 -0.053 0.000 0.746 93 E HN 0.254 nan 8.360 nan 0.000 0.452 94 K N 0.615 121.004 120.400 -0.019 0.000 2.026 94 K HA -0.085 4.311 4.320 0.126 0.000 0.208 94 K C 2.370 178.956 176.600 -0.024 0.000 1.048 94 K CA 1.543 57.818 56.287 -0.019 0.000 0.929 94 K CB -0.086 32.407 32.500 -0.011 0.000 0.713 94 K HN 0.007 nan 8.250 nan 0.000 0.439 95 R N -0.079 120.409 120.500 -0.020 0.000 2.081 95 R HA -0.064 4.351 4.340 0.126 0.000 0.235 95 R C 2.318 178.579 176.300 -0.065 0.000 1.131 95 R CA 1.515 57.590 56.100 -0.042 0.000 0.960 95 R CB -0.388 29.880 30.300 -0.053 0.000 0.856 95 R HN 0.167 nan 8.270 nan 0.000 0.436 96 L N -0.021 121.156 121.223 -0.077 0.000 2.027 96 L HA -0.159 4.256 4.340 0.126 0.000 0.206 96 L C 2.742 179.569 176.870 -0.073 0.000 1.074 96 L CA 1.439 56.225 54.840 -0.089 0.000 0.745 96 L CB -0.389 41.608 42.059 -0.104 0.000 0.898 96 L HN 0.166 nan 8.230 nan 0.000 0.433 97 R N 0.616 121.077 120.500 -0.064 0.000 2.081 97 R HA -0.183 4.232 4.340 0.126 0.000 0.235 97 R C 2.015 178.289 176.300 -0.044 0.000 1.131 97 R CA 1.572 57.638 56.100 -0.057 0.000 0.960 97 R CB -0.162 30.109 30.300 -0.049 0.000 0.856 97 R HN 0.350 nan 8.270 nan 0.000 0.436 98 E N -0.759 119.418 120.200 -0.038 0.000 2.204 98 E HA -0.095 4.330 4.350 0.126 0.000 0.194 98 E C 1.435 178.017 176.600 -0.030 0.000 0.989 98 E CA 1.052 57.435 56.400 -0.029 0.000 0.824 98 E CB -0.035 29.650 29.700 -0.025 0.000 0.756 98 E HN 0.630 nan 8.360 nan 0.000 0.477 99 G N -0.367 108.411 108.800 -0.037 0.000 3.181 99 G HA2 0.209 4.244 3.960 0.126 0.000 0.219 99 G HA3 0.209 4.244 3.960 0.126 0.000 0.219 99 G C 0.871 175.753 174.900 -0.030 0.000 1.182 99 G CA 0.150 45.232 45.100 -0.030 0.000 0.791 99 G HN 0.343 nan 8.290 nan 0.000 0.537 100 G N -1.229 107.549 108.800 -0.037 0.000 2.149 100 G HA2 -0.181 3.854 3.960 0.126 0.000 0.235 100 G HA3 -0.181 3.854 3.960 0.126 0.000 0.235 100 G C -0.103 174.763 174.900 -0.056 0.000 1.018 100 G CA 0.085 45.161 45.100 -0.041 0.000 0.728 100 G HN 0.743 nan 8.290 nan 0.000 0.508 101 V N 0.984 120.856 119.914 -0.071 0.000 2.448 101 V HA 0.542 4.738 4.120 0.126 0.000 0.295 101 V C 0.798 176.814 176.094 -0.131 0.000 1.025 101 V CA -0.289 61.956 62.300 -0.093 0.000 0.859 101 V CB 1.842 33.611 31.823 -0.090 0.000 0.988 101 V HN 0.332 nan 8.190 nan 0.000 0.431 102 T N 4.986 119.437 114.554 -0.173 0.000 2.817 102 T HA 0.332 4.758 4.350 0.126 0.000 0.295 102 T C -0.143 174.323 174.700 -0.390 0.000 0.958 102 T CA 0.113 62.035 62.100 -0.297 0.000 1.157 102 T CB 0.439 69.087 68.868 -0.367 0.000 0.898 102 T HN 0.392 nan 8.240 nan 0.000 0.536 103 V N 4.684 124.376 119.914 -0.370 0.000 2.531 103 V HA 0.440 4.635 4.120 0.126 0.000 0.301 103 V C -1.067 174.892 176.094 -0.224 0.000 1.034 103 V CA -1.061 61.079 62.300 -0.268 0.000 0.865 103 V CB 1.286 33.034 31.823 -0.125 0.000 0.995 103 V HN 0.733 nan 8.190 nan 0.000 0.424 104 Y N 1.370 121.741 120.300 0.118 0.000 2.420 104 Y HA 0.469 5.095 4.550 0.126 0.000 0.334 104 Y C 1.058 177.081 175.900 0.205 0.000 1.094 104 Y CA -1.256 56.947 58.100 0.171 0.000 1.126 104 Y CB 1.167 39.777 38.460 0.251 0.000 1.217 104 Y HN 0.812 nan 8.280 nan 0.000 0.462 105 E N -0.366 120.063 120.200 0.383 0.000 2.971 105 E HA -0.305 4.120 4.350 0.126 0.000 0.278 105 E C 0.870 177.567 176.600 0.161 0.000 1.009 105 E CA 0.553 57.161 56.400 0.346 0.000 0.862 105 E CB -1.190 28.842 29.700 0.553 0.000 1.436 105 E HN 0.766 nan 8.360 nan 0.000 0.434 106 A N 1.163 124.032 122.820 0.080 0.000 2.168 106 A HA -0.149 4.247 4.320 0.126 0.000 0.215 106 A C 1.844 179.436 177.584 0.014 0.000 1.152 106 A CA 1.264 53.297 52.037 -0.007 0.000 0.716 106 A CB -0.138 18.834 19.000 -0.046 0.000 0.794 106 A HN 0.477 nan 8.150 nan 0.000 0.465 107 D N -0.116 120.321 120.400 0.063 0.000 2.317 107 D HA -0.024 4.691 4.640 0.126 0.000 0.211 107 D C 0.228 176.567 176.300 0.065 0.000 0.966 107 D CA 0.371 54.408 54.000 0.062 0.000 0.876 107 D CB -0.429 40.410 40.800 0.064 0.000 0.927 107 D HN 0.172 nan 8.370 nan 0.000 0.519 108 V N 2.948 122.908 119.914 0.077 0.000 2.415 108 V HA 0.081 4.277 4.120 0.126 0.000 0.267 108 V C 0.877 176.957 176.094 -0.024 0.000 1.042 108 V CA -0.492 61.823 62.300 0.025 0.000 1.000 108 V CB 0.470 32.327 31.823 0.057 0.000 1.015 108 V HN 0.068 nan 8.190 nan 0.000 0.478 109 R N 6.026 126.447 120.500 -0.131 0.000 2.641 109 R HA 0.195 4.611 4.340 0.126 0.000 0.269 109 R C -1.493 174.486 176.300 -0.535 0.000 1.074 109 R CA -2.090 53.723 56.100 -0.478 0.000 1.133 109 R CB 0.125 30.251 30.300 -0.289 0.000 1.029 109 R HN 0.346 nan 8.270 nan 0.000 0.488 110 P HA -0.129 nan 4.420 nan 0.000 0.216 110 P C -1.435 175.780 177.300 -0.142 0.000 1.157 110 P CA 1.721 64.515 63.100 -0.510 0.000 0.880 110 P CB -0.640 30.671 31.700 -0.649 0.000 0.791 111 P HA -0.135 nan 4.420 nan 0.000 0.216 111 P C 1.468 178.946 177.300 0.297 0.000 1.153 111 P CA 1.482 64.697 63.100 0.192 0.000 0.848 111 P CB -0.360 31.406 31.700 0.111 0.000 0.787 112 E N -0.709 119.578 120.200 0.145 0.000 2.077 112 E HA -0.193 4.233 4.350 0.126 0.000 0.193 112 E C 2.128 178.758 176.600 0.049 0.000 0.989 112 E CA 0.980 57.456 56.400 0.126 0.000 0.800 112 E CB -0.590 29.146 29.700 0.060 0.000 0.746 112 E HN 0.000 nan 8.360 nan 0.000 0.452 113 R N -0.197 120.320 120.500 0.028 0.000 2.083 113 R HA -0.198 4.218 4.340 0.126 0.000 0.237 113 R C 2.151 178.510 176.300 0.098 0.000 1.137 113 R CA 1.557 57.683 56.100 0.044 0.000 0.951 113 R CB -1.035 29.278 30.300 0.023 0.000 0.851 113 R HN 0.323 nan 8.270 nan 0.000 0.434 114 Y N 0.379 120.707 120.300 0.046 0.000 2.145 114 Y HA -0.099 4.526 4.550 0.126 0.000 0.286 114 Y C 1.838 177.772 175.900 0.058 0.000 1.145 114 Y CA 1.981 60.127 58.100 0.077 0.000 1.148 114 Y CB -0.258 38.291 38.460 0.148 0.000 0.981 114 Y HN 0.068 nan 8.280 nan 0.000 0.507 115 L N -0.428 120.847 121.223 0.087 0.000 2.027 115 L HA -0.248 4.167 4.340 0.126 0.000 0.206 115 L C 2.710 179.503 176.870 -0.129 0.000 1.074 115 L CA 1.810 56.626 54.840 -0.040 0.000 0.745 115 L CB -0.571 41.557 42.059 0.117 0.000 0.898 115 L HN 0.363 nan 8.230 nan 0.000 0.433 116 M N -0.357 119.123 119.600 -0.200 0.000 2.117 116 M HA -0.207 4.349 4.480 0.126 0.000 0.262 116 M C 2.005 178.106 176.300 -0.330 0.000 1.065 116 M CA 1.703 56.742 55.300 -0.434 0.000 1.114 116 M CB -0.052 32.234 32.600 -0.523 0.000 1.361 116 M HN 0.126 nan 8.290 nan 0.000 0.408 117 E N 0.356 120.423 120.200 -0.222 0.000 2.347 117 E HA -0.117 4.309 4.350 0.126 0.000 0.196 117 E C 1.579 177.995 176.600 -0.306 0.000 1.008 117 E CA 0.904 57.170 56.400 -0.223 0.000 0.852 117 E CB -0.189 29.462 29.700 -0.082 0.000 0.783 117 E HN 0.574 nan 8.360 nan 0.000 0.505 118 R N -0.709 119.636 120.500 -0.259 0.000 2.359 118 R HA 0.113 4.529 4.340 0.126 0.000 0.231 118 R C -0.278 176.095 176.300 0.122 0.000 0.913 118 R CA -0.218 55.820 56.100 -0.103 0.000 1.075 118 R CB -0.024 30.146 30.300 -0.217 0.000 1.087 118 R HN -0.007 nan 8.270 nan 0.000 0.515 119 F N -0.646 119.271 119.950 -0.055 0.000 3.074 119 F HA -0.250 4.352 4.527 0.125 0.000 0.289 119 F C -0.183 175.625 175.800 0.013 0.000 0.863 119 F CA 0.228 58.220 58.000 -0.014 0.000 1.121 119 F CB -1.820 37.176 39.000 -0.006 0.000 1.169 119 F HN -0.005 nan 8.300 nan 0.000 0.570 120 I N 0.073 120.710 120.570 0.112 0.000 2.392 120 I HA 0.352 4.597 4.170 0.126 0.000 0.295 120 I C 1.236 177.453 176.117 0.165 0.000 0.985 120 I CA 0.353 61.709 61.300 0.094 0.000 1.221 120 I CB 1.557 39.551 38.000 -0.010 0.000 1.366 120 I HN 0.248 nan 8.210 nan 0.000 0.467 121 T N -0.052 114.547 114.554 0.075 0.000 3.556 121 T HA 0.176 4.601 4.350 0.126 0.000 0.204 121 T C 1.204 175.815 174.700 -0.149 0.000 0.896 121 T CA 0.297 62.389 62.100 -0.013 0.000 1.380 121 T CB 0.171 69.032 68.868 -0.011 0.000 1.584 121 T HN 0.438 nan 8.240 nan 0.000 0.411 122 S N 1.547 117.092 115.700 -0.259 0.000 2.807 122 S HA 0.365 4.910 4.470 0.126 0.000 0.247 122 S C -2.349 171.833 174.600 -0.697 0.000 1.078 122 S CA -0.244 57.603 58.200 -0.588 0.000 0.867 122 S CB 0.110 62.735 63.200 -0.958 0.000 0.797 122 S HN 0.508 nan 8.310 nan 0.000 0.515 123 P HA 0.344 nan 4.420 nan 0.000 0.276 123 P C -0.747 176.597 177.300 0.073 0.000 1.235 123 P CA 0.167 63.218 63.100 -0.081 0.000 0.772 123 P CB 1.299 33.086 31.700 0.144 0.000 0.871 124 V N 0.793 120.795 119.914 0.146 0.000 3.159 124 V HA 0.631 4.827 4.120 0.126 0.000 0.308 124 V C -1.581 174.689 176.094 0.293 0.000 1.190 124 V CA -1.028 61.382 62.300 0.182 0.000 1.037 124 V CB 3.034 34.879 31.823 0.036 0.000 1.060 124 V HN 0.691 nan 8.190 nan 0.000 0.437 125 W N 2.606 123.953 121.300 0.079 0.000 2.475 125 W HA 0.785 5.520 4.660 0.125 0.000 0.317 125 W C -1.774 174.757 176.519 0.020 0.000 1.046 125 W CA -0.720 56.648 57.345 0.038 0.000 1.215 125 W CB 1.885 31.321 29.460 -0.039 0.000 1.335 125 W HN 0.748 nan 8.180 nan 0.000 0.471 126 V N 6.531 126.137 119.914 -0.513 0.000 2.628 126 V HA 0.509 4.704 4.120 0.126 0.000 0.306 126 V C -0.887 174.949 176.094 -0.430 0.000 1.045 126 V CA -0.376 61.728 62.300 -0.325 0.000 0.905 126 V CB 2.061 33.763 31.823 -0.201 0.000 0.997 126 V HN 0.649 nan 8.190 nan 0.000 0.436 127 E N 3.159 123.257 120.200 -0.170 0.000 2.340 127 E HA 0.778 5.203 4.350 0.126 0.000 0.273 127 E C -0.347 176.157 176.600 -0.160 0.000 0.891 127 E CA -0.143 56.193 56.400 -0.108 0.000 0.757 127 E CB 2.371 32.148 29.700 0.129 0.000 1.231 127 E HN 1.128 nan 8.360 nan 0.000 0.439 128 G N 1.889 110.452 108.800 -0.395 0.000 2.333 128 G HA2 0.070 4.105 3.960 0.126 0.000 0.288 128 G HA3 0.070 4.105 3.960 0.126 0.000 0.288 128 G C -1.805 172.756 174.900 -0.564 0.000 1.286 128 G CA -0.846 43.989 45.100 -0.442 0.000 0.865 128 G HN 0.438 nan 8.290 nan 0.000 0.506 129 D N 1.273 121.494 120.400 -0.298 0.000 2.193 129 D HA 0.456 5.172 4.640 0.126 0.000 0.244 129 D C 0.485 176.732 176.300 -0.087 0.000 1.064 129 D CA -0.179 53.715 54.000 -0.176 0.000 0.845 129 D CB 1.593 42.347 40.800 -0.077 0.000 1.148 129 D HN 0.370 nan 8.370 nan 0.000 0.464 130 M N 1.540 121.109 119.600 -0.052 0.000 2.238 130 M HA 0.083 4.638 4.480 0.126 0.000 0.350 130 M C -0.089 176.251 176.300 0.066 0.000 1.321 130 M CA 0.577 55.870 55.300 -0.013 0.000 1.097 130 M CB 0.154 32.744 32.600 -0.016 0.000 1.713 130 M HN 0.361 nan 8.290 nan 0.000 0.455 131 H N 1.777 120.810 119.070 -0.062 0.000 3.162 131 H HA 0.282 4.913 4.556 0.126 0.000 0.309 131 H C 0.071 175.372 175.328 -0.046 0.000 1.156 131 H CA 0.784 56.802 56.048 -0.049 0.000 1.586 131 H CB 0.236 29.966 29.762 -0.053 0.000 1.740 131 H HN 0.870 nan 8.280 nan 0.000 0.525 132 N N 2.437 120.944 118.700 -0.322 0.000 2.727 132 N HA -0.102 4.714 4.740 0.126 0.000 0.249 132 N C 1.496 176.920 175.510 -0.144 0.000 1.048 132 N CA 1.514 54.396 53.050 -0.279 0.000 0.714 132 N CB -2.297 nan 38.487 nan 0.000 0.959 132 N HN 1.922 nan 8.380 nan 0.000 0.544 133 G N -3.123 105.624 108.800 -0.089 0.000 2.176 133 G HA2 0.150 4.186 3.960 0.126 0.000 0.253 133 G HA3 0.150 4.186 3.960 0.126 0.000 0.253 133 G C 0.678 175.541 174.900 -0.061 0.000 0.979 133 G CA 1.751 46.818 45.100 -0.055 0.000 0.641 133 G HN 2.695 nan 8.290 nan 0.000 0.530 134 T N -1.480 113.031 114.554 -0.071 0.000 2.930 134 T HA 0.788 5.214 4.350 0.126 0.000 0.290 134 T C -0.301 174.359 174.700 -0.066 0.000 1.052 134 T CA -1.030 61.014 62.100 -0.095 0.000 1.017 134 T CB 2.405 71.215 68.868 -0.097 0.000 1.137 134 T HN 0.513 nan 8.240 nan 0.000 0.511 135 I N 2.742 123.251 120.570 -0.101 0.000 2.404 135 I HA 0.603 4.848 4.170 0.126 0.000 0.293 135 I C 0.297 176.360 176.117 -0.089 0.000 0.992 135 I CA -1.038 60.205 61.300 -0.095 0.000 1.149 135 I CB 1.008 38.938 38.000 -0.118 0.000 1.315 135 I HN 0.826 nan 8.210 nan 0.000 0.446 136 V N 2.337 122.202 119.914 -0.081 0.000 3.001 136 V HA 0.587 4.783 4.120 0.126 0.000 0.314 136 V C 0.510 176.549 176.094 -0.092 0.000 1.099 136 V CA -0.838 61.409 62.300 -0.089 0.000 0.989 136 V CB 1.915 33.675 31.823 -0.106 0.000 1.040 136 V HN 0.905 nan 8.190 nan 0.000 0.434 137 N N 0.405 119.056 118.700 -0.080 0.000 2.721 137 N HA -0.186 4.629 4.740 0.126 0.000 0.249 137 N C 0.382 175.861 175.510 -0.052 0.000 1.072 137 N CA 0.794 53.809 53.050 -0.058 0.000 0.710 137 N CB -0.463 37.998 38.487 -0.043 0.000 0.993 137 N HN 1.418 nan 8.380 nan 0.000 0.547 138 A N 0.977 123.760 122.820 -0.060 0.000 2.332 138 A HA 0.549 4.944 4.320 0.126 0.000 0.258 138 A C 0.712 178.302 177.584 0.010 0.000 1.087 138 A CA -0.144 51.867 52.037 -0.043 0.000 0.802 138 A CB 0.661 19.634 19.000 -0.045 0.000 1.042 138 A HN 0.444 nan 8.150 nan 0.000 0.489 139 R N 0.787 121.327 120.500 0.065 0.000 2.795 139 R HA 0.792 5.207 4.340 0.126 0.000 0.275 139 R C -1.896 174.518 176.300 0.190 0.000 0.981 139 R CA -0.703 55.505 56.100 0.180 0.000 0.917 139 R CB 1.062 31.474 30.300 0.186 0.000 1.202 139 R HN 0.523 nan 8.270 nan 0.000 0.469 140 L N 1.207 122.603 121.223 0.289 0.000 2.388 140 L HA 0.628 5.043 4.340 0.126 0.000 0.264 140 L C -0.545 176.414 176.870 0.147 0.000 0.998 140 L CA -1.124 53.831 54.840 0.192 0.000 0.817 140 L CB 2.431 44.586 42.059 0.160 0.000 1.338 140 L HN 0.609 nan 8.230 nan 0.000 0.414 141 K N 1.844 122.340 120.400 0.161 0.000 2.375 141 K HA 0.524 4.919 4.320 0.126 0.000 0.249 141 K C -2.725 173.956 176.600 0.134 0.000 0.942 141 K CA -1.847 54.517 56.287 0.129 0.000 0.806 141 K CB 2.360 34.945 32.500 0.142 0.000 1.227 141 K HN 0.253 nan 8.250 nan 0.000 0.430 142 P HA -0.032 nan 4.420 nan 0.000 0.267 142 P C -1.109 176.294 177.300 0.172 0.000 1.205 142 P CA 0.375 63.549 63.100 0.123 0.000 0.765 142 P CB 0.291 32.057 31.700 0.110 0.000 0.828 143 H N 5.150 124.290 119.070 0.117 0.000 2.423 143 H HA 0.213 4.845 4.556 0.127 0.000 0.237 143 H C -1.395 174.035 175.328 0.171 0.000 1.391 143 H CA -2.435 53.708 56.048 0.159 0.000 1.453 143 H CB 1.207 31.107 29.762 0.230 0.000 1.484 143 H HN 0.227 nan 8.280 nan 0.000 0.505 144 P HA -0.223 nan 4.420 nan 0.000 0.216 144 P C 0.588 178.016 177.300 0.214 0.000 1.157 144 P CA 1.394 64.626 63.100 0.219 0.000 0.880 144 P CB 0.592 32.385 31.700 0.156 0.000 0.791 145 D N -2.408 118.146 120.400 0.257 0.000 2.349 145 D HA -0.019 4.696 4.640 0.126 0.000 0.224 145 D C 0.624 176.983 176.300 0.098 0.000 1.029 145 D CA 0.047 54.150 54.000 0.173 0.000 0.879 145 D CB -0.843 40.060 40.800 0.172 0.000 0.906 145 D HN 0.250 nan 8.370 nan 0.000 0.528 146 Y N 2.179 122.384 120.300 -0.158 0.000 2.425 146 Y HA 0.207 4.833 4.550 0.127 0.000 0.331 146 Y C -0.008 175.928 175.900 0.059 0.000 1.157 146 Y CA -0.134 57.831 58.100 -0.226 0.000 1.372 146 Y CB 0.428 38.512 38.460 -0.627 0.000 1.253 146 Y HN -0.307 nan 8.280 nan 0.000 0.536 147 R N 7.276 127.236 120.500 -0.900 0.000 2.532 147 R HA 0.398 4.813 4.340 0.126 0.000 0.297 147 R C -2.988 172.695 176.300 -1.029 0.000 0.984 147 R CA -2.155 53.502 56.100 -0.739 0.000 0.884 147 R CB 1.513 31.616 30.300 -0.328 0.000 1.182 147 R HN 0.540 nan 8.270 nan 0.000 0.442 148 P HA 0.429 nan 4.420 nan 0.000 0.287 148 P C -2.586 174.638 177.300 -0.125 0.000 1.270 148 P CA -1.799 61.139 63.100 -0.271 0.000 0.844 148 P CB 0.688 32.393 31.700 0.009 0.000 1.068 149 P HA 0.445 nan 4.420 nan 0.000 0.284 149 P C -0.788 176.534 177.300 0.036 0.000 1.253 149 P CA -0.184 62.914 63.100 -0.002 0.000 0.800 149 P CB 0.769 32.478 31.700 0.015 0.000 0.961 150 L N 1.780 123.032 121.223 0.047 0.000 2.388 150 L HA 0.528 4.944 4.340 0.126 0.000 0.264 150 L C 0.251 177.152 176.870 0.051 0.000 0.998 150 L CA -0.894 54.016 54.840 0.118 0.000 0.817 150 L CB 2.330 44.542 42.059 0.255 0.000 1.338 150 L HN 0.175 nan 8.230 nan 0.000 0.414 151 K N 1.627 122.092 120.400 0.109 0.000 2.206 151 K HA 0.482 4.877 4.320 0.126 0.000 0.264 151 K C -1.537 175.223 176.600 0.267 0.000 0.967 151 K CA -0.627 55.695 56.287 0.058 0.000 0.844 151 K CB 1.669 34.197 32.500 0.047 0.000 1.099 151 K HN 0.278 nan 8.250 nan 0.000 0.441 152 W N 1.666 122.966 121.300 -0.001 0.000 2.647 152 W HA 0.538 5.276 4.660 0.129 0.000 0.353 152 W C -0.484 176.019 176.519 -0.027 0.000 1.080 152 W CA -1.054 56.268 57.345 -0.039 0.000 1.208 152 W CB 0.885 30.282 29.460 -0.105 0.000 1.396 152 W HN 0.116 nan 8.180 nan 0.000 0.573 153 V N 2.145 122.167 119.914 0.180 0.000 2.525 153 V HA 0.471 4.667 4.120 0.126 0.000 0.299 153 V C -0.632 175.438 176.094 -0.040 0.000 1.034 153 V CA -0.553 61.775 62.300 0.048 0.000 0.863 153 V CB 1.662 33.452 31.823 -0.055 0.000 0.999 153 V HN 0.511 nan 8.190 nan 0.000 0.423 154 S N 7.587 123.239 115.700 -0.079 0.000 2.422 154 S HA 0.607 5.152 4.470 0.126 0.000 0.298 154 S C -0.578 173.945 174.600 -0.129 0.000 1.118 154 S CA -0.529 57.595 58.200 -0.127 0.000 1.083 154 S CB 0.467 63.593 63.200 -0.123 0.000 0.971 154 S HN 0.786 nan 8.310 nan 0.000 0.478 155 I N 3.941 124.460 120.570 -0.085 0.000 2.433 155 I HA 0.604 4.850 4.170 0.126 0.000 0.292 155 I C -1.462 174.642 176.117 -0.022 0.000 1.001 155 I CA -0.568 60.692 61.300 -0.067 0.000 1.119 155 I CB 1.765 39.759 38.000 -0.009 0.000 1.289 155 I HN 0.604 nan 8.210 nan 0.000 0.438 156 D N 7.375 127.751 120.400 -0.039 0.000 2.964 156 D HA 0.495 5.211 4.640 0.126 0.000 0.234 156 D C -1.040 175.270 176.300 0.016 0.000 1.223 156 D CA -0.449 53.554 54.000 0.005 0.000 0.889 156 D CB 1.967 42.736 40.800 -0.053 0.000 1.609 156 D HN 0.550 nan 8.370 nan 0.000 0.523 157 I N -0.557 120.069 120.570 0.094 0.000 2.693 157 I HA 0.717 4.962 4.170 0.126 0.000 0.303 157 I C -0.876 175.357 176.117 0.194 0.000 1.025 157 I CA -0.660 60.693 61.300 0.089 0.000 1.086 157 I CB 2.087 40.084 38.000 -0.004 0.000 1.268 157 I HN 0.106 nan 8.210 nan 0.000 0.440 158 E N 3.477 123.779 120.200 0.170 0.000 2.238 158 E HA 0.538 4.964 4.350 0.126 0.000 0.267 158 E C -0.762 175.955 176.600 0.195 0.000 0.887 158 E CA -0.470 56.077 56.400 0.245 0.000 0.769 158 E CB 2.451 32.320 29.700 0.283 0.000 1.187 158 E HN 0.883 nan 8.360 nan 0.000 0.416 159 T N -2.038 112.608 114.554 0.153 0.000 2.812 159 T HA 0.536 4.962 4.350 0.126 0.000 0.294 159 T C 0.311 174.817 174.700 -0.323 0.000 1.159 159 T CA -0.716 61.296 62.100 -0.147 0.000 1.008 159 T CB 1.232 70.103 68.868 0.004 0.000 1.289 159 T HN 0.385 nan 8.240 nan 0.000 0.514 160 T N -0.854 113.335 114.554 -0.607 0.000 2.726 160 T HA 0.261 4.687 4.350 0.126 0.000 0.294 160 T C 1.544 176.150 174.700 -0.157 0.000 1.013 160 T CA -0.513 61.354 62.100 -0.389 0.000 0.996 160 T CB 0.433 69.109 68.868 -0.320 0.000 1.016 160 T HN 0.931 nan 8.240 nan 0.000 0.529 161 R N -0.119 120.276 120.500 -0.175 0.000 2.293 161 R HA -0.076 4.340 4.340 0.126 0.000 0.219 161 R C 0.797 176.869 176.300 -0.381 0.000 1.091 161 R CA 1.420 57.363 56.100 -0.262 0.000 1.004 161 R CB -0.814 29.291 30.300 -0.326 0.000 0.865 161 R HN 0.830 nan 8.270 nan 0.000 0.469 162 H N -0.318 118.739 119.070 -0.021 0.000 2.505 162 H HA 0.263 4.896 4.556 0.128 0.000 0.289 162 H C 0.831 176.133 175.328 -0.043 0.000 1.052 162 H CA 0.143 56.172 56.048 -0.031 0.000 1.156 162 H CB 1.177 30.913 29.762 -0.043 0.000 1.507 162 H HN 0.519 nan 8.280 nan 0.000 0.548 163 G N 0.921 109.746 108.800 0.042 0.000 2.179 163 G HA2 -0.297 3.739 3.960 0.126 0.000 0.260 163 G HA3 -0.297 3.739 3.960 0.126 0.000 0.260 163 G C 0.015 174.955 174.900 0.067 0.000 0.977 163 G CA -0.136 44.995 45.100 0.051 0.000 0.641 163 G HN 0.480 nan 8.290 nan 0.000 0.533 164 E N 0.231 120.423 120.200 -0.012 0.000 2.229 164 E HA 0.455 4.881 4.350 0.126 0.000 0.283 164 E C 0.762 177.312 176.600 -0.083 0.000 1.030 164 E CA -0.662 55.757 56.400 0.031 0.000 0.836 164 E CB 1.196 30.868 29.700 -0.047 0.000 1.068 164 E HN 0.329 nan 8.360 nan 0.000 0.401 165 L N 3.563 124.859 121.223 0.120 0.000 2.540 165 L HA -0.136 4.280 4.340 0.126 0.000 0.276 165 L C 0.444 177.221 176.870 -0.155 0.000 1.212 165 L CA 0.375 55.141 54.840 -0.123 0.000 0.893 165 L CB 0.067 41.970 42.059 -0.260 0.000 1.138 165 L HN 0.692 nan 8.230 nan 0.000 0.491 166 Y N 2.098 122.314 120.300 -0.140 0.000 2.382 166 Y HA 0.141 4.765 4.550 0.123 0.000 0.292 166 Y C 0.880 176.786 175.900 0.010 0.000 1.151 166 Y CA -0.800 57.148 58.100 -0.252 0.000 1.198 166 Y CB 0.351 38.631 38.460 -0.300 0.000 1.195 166 Y HN 0.703 nan 8.280 nan 0.000 0.530 167 C N -0.782 118.637 119.300 0.198 0.000 3.307 167 C HA 0.718 5.254 4.460 0.126 0.000 0.333 167 C C -0.866 174.171 174.990 0.078 0.000 1.291 167 C CA -1.649 57.454 59.018 0.143 0.000 1.273 167 C CB 0.687 28.517 27.740 0.150 0.000 1.580 167 C HN 0.123 nan 8.230 nan 0.000 0.481 168 I N 2.016 122.630 120.570 0.074 0.000 2.406 168 I HA 0.622 4.868 4.170 0.126 0.000 0.290 168 I C 0.668 176.776 176.117 -0.015 0.000 0.999 168 I CA -0.193 61.132 61.300 0.041 0.000 1.124 168 I CB 1.917 39.963 38.000 0.076 0.000 1.289 168 I HN 1.053 nan 8.210 nan 0.000 0.441 169 G N 7.165 115.920 108.800 -0.076 0.000 2.343 169 G HA2 0.743 4.778 3.960 0.126 0.000 0.319 169 G HA3 0.743 4.778 3.960 0.126 0.000 0.319 169 G C -0.943 173.822 174.900 -0.225 0.000 1.126 169 G CA -0.429 44.572 45.100 -0.166 0.000 0.889 169 G HN 0.444 nan 8.290 nan 0.000 0.457 170 L N 1.768 122.789 121.223 -0.336 0.000 2.406 170 L HA 0.565 4.981 4.340 0.126 0.000 0.272 170 L C -0.417 176.222 176.870 -0.385 0.000 0.980 170 L CA -0.712 53.842 54.840 -0.476 0.000 0.831 170 L CB 2.454 43.971 42.059 -0.904 0.000 1.253 170 L HN 0.495 nan 8.230 nan 0.000 0.406 171 E N 2.585 122.617 120.200 -0.280 0.000 2.256 171 E HA 0.720 5.145 4.350 0.126 0.000 0.268 171 E C -0.565 175.999 176.600 -0.061 0.000 0.877 171 E CA -0.278 56.027 56.400 -0.158 0.000 0.757 171 E CB 2.694 32.312 29.700 -0.137 0.000 1.183 171 E HN 0.782 nan 8.360 nan 0.000 0.418 172 G N 1.300 110.103 108.800 0.005 0.000 2.381 172 G HA2 -0.103 3.933 3.960 0.126 0.000 0.672 172 G HA3 -0.103 3.933 3.960 0.126 0.000 0.672 172 G C -0.099 174.864 174.900 0.106 0.000 1.324 172 G CA -0.443 44.692 45.100 0.059 0.000 0.975 172 G HN 0.941 nan 8.290 nan 0.000 0.593 173 C N -0.373 118.955 119.300 0.048 0.000 4.432 173 C HA 0.153 4.689 4.460 0.126 0.000 0.294 173 C C 2.384 177.331 174.990 -0.072 0.000 1.398 173 C CA 2.070 61.085 59.018 -0.005 0.000 1.988 173 C CB -1.656 26.078 27.740 -0.011 0.000 1.251 173 C HN 3.066 nan 8.230 nan 0.000 0.791 174 G N -0.900 107.866 108.800 -0.057 0.000 2.155 174 G HA2 -0.233 3.802 3.960 0.126 0.000 0.257 174 G HA3 -0.233 3.802 3.960 0.126 0.000 0.257 174 G C -0.200 174.652 174.900 -0.080 0.000 0.983 174 G CA 0.870 45.930 45.100 -0.065 0.000 0.676 174 G HN 0.725 nan 8.290 nan 0.000 0.528 175 Q N -0.589 119.167 119.800 -0.073 0.000 2.345 175 Q HA 0.721 5.136 4.340 0.126 0.000 0.268 175 Q C 0.160 176.146 176.000 -0.023 0.000 1.054 175 Q CA -0.561 55.209 55.803 -0.055 0.000 0.835 175 Q CB 1.624 30.336 28.738 -0.044 0.000 1.339 175 Q HN 0.484 nan 8.270 nan 0.000 0.447 176 R N 1.408 121.895 120.500 -0.022 0.000 2.521 176 R HA 0.645 5.061 4.340 0.126 0.000 0.295 176 R C -0.797 175.489 176.300 -0.024 0.000 1.183 176 R CA -0.210 55.860 56.100 -0.051 0.000 0.957 176 R CB 1.364 31.656 30.300 -0.013 0.000 1.171 176 R HN 0.588 nan 8.270 nan 0.000 0.494 177 I N 1.780 122.265 120.570 -0.141 0.000 2.913 177 I HA 0.502 4.748 4.170 0.126 0.000 0.302 177 I C -1.427 174.504 176.117 -0.311 0.000 1.246 177 I CA -1.117 60.069 61.300 -0.190 0.000 1.010 177 I CB 2.501 40.316 38.000 -0.308 0.000 1.259 177 I HN 0.228 nan 8.210 nan 0.000 0.434 178 V N 6.354 126.114 119.914 -0.256 0.000 2.588 178 V HA 0.416 4.611 4.120 0.126 0.000 0.304 178 V C -1.329 174.566 176.094 -0.333 0.000 1.042 178 V CA -0.489 61.664 62.300 -0.244 0.000 0.877 178 V CB 1.790 33.583 31.823 -0.049 0.000 0.996 178 V HN 0.471 nan 8.190 nan 0.000 0.425 179 Y N 4.931 125.207 120.300 -0.040 0.000 2.341 179 Y HA 0.690 5.315 4.550 0.125 0.000 0.340 179 Y C 0.200 176.074 175.900 -0.043 0.000 0.997 179 Y CA -0.606 57.475 58.100 -0.032 0.000 1.149 179 Y CB 1.602 40.061 38.460 -0.002 0.000 1.171 179 Y HN 0.614 nan 8.280 nan 0.000 0.494 180 M N 4.520 124.135 119.600 0.025 0.000 2.393 180 M HA 0.467 5.022 4.480 0.126 0.000 0.316 180 M C -1.864 174.511 176.300 0.124 0.000 1.087 180 M CA -1.133 54.150 55.300 -0.028 0.000 0.937 180 M CB 1.237 33.595 32.600 -0.403 0.000 1.668 180 M HN 0.559 nan 8.290 nan 0.000 0.438 181 L N 4.676 126.084 121.223 0.308 0.000 2.410 181 L HA 0.640 5.055 4.340 0.126 0.000 0.273 181 L C 0.378 177.515 176.870 0.446 0.000 1.152 181 L CA 0.621 55.692 54.840 0.385 0.000 0.855 181 L CB 0.326 42.663 42.059 0.464 0.000 1.129 181 L HN 0.839 nan 8.230 nan 0.000 0.463 182 G N 5.216 114.238 108.800 0.370 0.000 2.616 182 G HA2 0.465 4.500 3.960 0.126 0.000 0.268 182 G HA3 0.465 4.500 3.960 0.126 0.000 0.268 182 G C -2.533 172.458 174.900 0.151 0.000 1.213 182 G CA -0.879 44.380 45.100 0.264 0.000 0.926 182 G HN 0.647 nan 8.290 nan 0.000 0.523 183 P HA 0.269 nan 4.420 nan 0.000 0.276 183 P C -0.370 176.815 177.300 -0.191 0.000 1.261 183 P CA -0.501 62.557 63.100 -0.069 0.000 0.800 183 P CB 0.872 32.528 31.700 -0.073 0.000 1.066 184 E N 0.481 120.405 120.200 -0.459 0.000 2.418 184 E HA 0.156 4.582 4.350 0.126 0.000 0.261 184 E C 0.518 176.946 176.600 -0.287 0.000 1.070 184 E CA 0.447 56.416 56.400 -0.718 0.000 0.931 184 E CB 0.047 29.268 29.700 -0.798 0.000 0.954 184 E HN 0.504 nan 8.360 nan 0.000 0.439 185 N N -0.279 118.324 118.700 -0.162 0.000 3.020 185 N HA 0.531 5.347 4.740 0.126 0.000 0.248 185 N C -0.083 175.405 175.510 -0.037 0.000 1.480 185 N CA -0.737 52.255 53.050 -0.097 0.000 0.874 185 N CB 1.166 39.589 38.487 -0.107 0.000 1.433 185 N HN 0.603 nan 8.380 nan 0.000 0.530 186 G N 0.427 109.204 108.800 -0.037 0.000 2.692 186 G HA2 -0.173 3.862 3.960 0.126 0.000 0.248 186 G HA3 -0.173 3.862 3.960 0.126 0.000 0.248 186 G C -1.396 173.497 174.900 -0.013 0.000 1.340 186 G CA 0.353 45.443 45.100 -0.017 0.000 0.896 186 G HN 0.957 nan 8.290 nan 0.000 0.570 187 D N -0.162 120.235 120.400 -0.006 0.000 2.593 187 D HA 0.648 5.364 4.640 0.126 0.000 0.251 187 D C 0.711 177.005 176.300 -0.010 0.000 1.140 187 D CA 0.322 54.316 54.000 -0.010 0.000 0.855 187 D CB 1.181 41.971 40.800 -0.016 0.000 1.267 187 D HN 1.003 nan 8.370 nan 0.000 0.532 188 A N 2.883 125.698 122.820 -0.008 0.000 2.379 188 A HA 0.085 4.480 4.320 0.126 0.000 0.236 188 A C 1.850 179.390 177.584 -0.074 0.000 1.272 188 A CA 0.002 52.015 52.037 -0.040 0.000 0.886 188 A CB 0.070 19.065 19.000 -0.008 0.000 0.962 188 A HN 0.450 nan 8.150 nan 0.000 0.504 189 S N -0.201 115.470 115.700 -0.050 0.000 2.399 189 S HA -0.082 4.463 4.470 0.126 0.000 0.231 189 S C 1.734 176.298 174.600 -0.061 0.000 1.022 189 S CA 1.741 59.911 58.200 -0.050 0.000 0.983 189 S CB -0.075 63.105 63.200 -0.032 0.000 0.803 189 S HN 0.564 nan 8.310 nan 0.000 0.480 190 S N 0.827 116.490 115.700 -0.061 0.000 2.597 190 S HA 0.365 4.911 4.470 0.126 0.000 0.224 190 S C 0.160 174.709 174.600 -0.085 0.000 0.955 190 S CA -0.248 57.918 58.200 -0.056 0.000 0.933 190 S CB 0.035 63.217 63.200 -0.029 0.000 0.788 190 S HN 0.350 nan 8.310 nan 0.000 0.488 191 L N 2.585 123.704 121.223 -0.174 0.000 2.416 191 L HA 0.199 4.614 4.340 0.126 0.000 0.272 191 L C 0.992 177.684 176.870 -0.297 0.000 1.161 191 L CA -0.429 54.205 54.840 -0.343 0.000 0.845 191 L CB 0.412 42.033 42.059 -0.730 0.000 1.119 191 L HN 0.173 nan 8.230 nan 0.000 0.464 192 D N 1.248 121.570 120.400 -0.130 0.000 2.328 192 D HA 0.056 4.772 4.640 0.126 0.000 0.221 192 D C -0.093 176.253 176.300 0.077 0.000 1.072 192 D CA -0.061 53.941 54.000 0.005 0.000 0.850 192 D CB -0.097 40.757 40.800 0.089 0.000 0.922 192 D HN 0.279 nan 8.370 nan 0.000 0.516 193 F N -1.392 118.537 119.950 -0.034 0.000 2.664 193 F HA 0.627 5.232 4.527 0.130 0.000 0.329 193 F C -0.169 175.601 175.800 -0.051 0.000 1.090 193 F CA -1.918 56.053 58.000 -0.048 0.000 0.978 193 F CB 0.889 39.849 39.000 -0.067 0.000 1.378 193 F HN -0.222 nan 8.300 nan 0.000 0.495 194 E N 1.204 121.457 120.200 0.089 0.000 2.259 194 E HA 0.442 4.868 4.350 0.126 0.000 0.281 194 E C -1.767 174.818 176.600 -0.026 0.000 1.027 194 E CA -0.750 55.636 56.400 -0.023 0.000 0.838 194 E CB 1.374 31.082 29.700 0.013 0.000 1.066 194 E HN 0.686 nan 8.360 nan 0.000 0.401 195 L N 4.414 125.571 121.223 -0.111 0.000 2.343 195 L HA 0.437 4.852 4.340 0.126 0.000 0.278 195 L C -1.227 175.605 176.870 -0.062 0.000 0.996 195 L CA -0.252 54.521 54.840 -0.111 0.000 0.831 195 L CB 1.589 43.555 42.059 -0.155 0.000 1.232 195 L HN 0.652 nan 8.230 nan 0.000 0.413 196 E N 3.576 123.734 120.200 -0.071 0.000 2.187 196 E HA 0.388 4.814 4.350 0.126 0.000 0.268 196 E C -1.529 175.123 176.600 0.087 0.000 0.896 196 E CA -0.604 55.854 56.400 0.096 0.000 0.766 196 E CB 1.155 30.987 29.700 0.220 0.000 1.142 196 E HN 0.602 nan 8.360 nan 0.000 0.408 197 Y N 1.558 121.941 120.300 0.138 0.000 2.458 197 Y HA 0.495 5.121 4.550 0.127 0.000 0.322 197 Y C 0.107 176.081 175.900 0.124 0.000 1.259 197 Y CA -0.524 57.653 58.100 0.128 0.000 1.302 197 Y CB 1.712 40.219 38.460 0.078 0.000 1.314 197 Y HN 0.341 nan 8.280 nan 0.000 0.509 198 V N -1.424 118.670 119.914 0.300 0.000 2.971 198 V HA 0.762 4.958 4.120 0.126 0.000 0.309 198 V C 0.001 176.193 176.094 0.163 0.000 1.130 198 V CA -0.573 61.834 62.300 0.179 0.000 0.964 198 V CB 1.320 33.212 31.823 0.115 0.000 1.029 198 V HN 0.890 nan 8.190 nan 0.000 0.427 199 A N 2.732 125.613 122.820 0.101 0.000 1.968 199 A HA 0.381 4.776 4.320 0.126 0.000 0.217 199 A C 1.303 178.930 177.584 0.071 0.000 1.169 199 A CA 1.388 53.473 52.037 0.079 0.000 0.638 199 A CB -0.453 18.575 19.000 0.046 0.000 0.812 199 A HN 1.974 nan 8.150 nan 0.000 0.446 200 S N -3.017 112.709 115.700 0.043 0.000 2.595 200 S HA 0.588 5.133 4.470 0.126 0.000 0.281 200 S C 0.264 174.844 174.600 -0.033 0.000 1.117 200 S CA -0.464 57.737 58.200 0.001 0.000 0.873 200 S CB 1.633 64.801 63.200 -0.054 0.000 1.108 200 S HN 0.202 nan 8.310 nan 0.000 0.477 201 R N 1.262 121.721 120.500 -0.068 0.000 2.091 201 R HA 0.088 4.504 4.340 0.126 0.000 0.238 201 R C -0.920 175.258 176.300 -0.204 0.000 1.136 201 R CA 2.187 58.246 56.100 -0.069 0.000 0.959 201 R CB -1.320 29.007 30.300 0.044 0.000 0.856 201 R HN 0.641 nan 8.270 nan 0.000 0.437 202 P HA -0.156 nan 4.420 nan 0.000 0.218 202 P C 0.468 177.676 177.300 -0.153 0.000 1.149 202 P CA 1.390 64.253 63.100 -0.395 0.000 0.817 202 P CB -0.055 31.361 31.700 -0.474 0.000 0.785 203 Q N -0.498 119.229 119.800 -0.121 0.000 2.226 203 Q HA -0.074 4.342 4.340 0.126 0.000 0.204 203 Q C 2.345 178.300 176.000 -0.076 0.000 0.975 203 Q CA 0.926 56.686 55.803 -0.071 0.000 0.866 203 Q CB -0.606 28.110 28.738 -0.036 0.000 0.915 203 Q HN 0.317 nan 8.270 nan 0.000 0.440 204 L N 0.370 121.558 121.223 -0.059 0.000 2.042 204 L HA -0.223 4.193 4.340 0.126 0.000 0.210 204 L C 2.292 179.104 176.870 -0.096 0.000 1.076 204 L CA 1.082 55.884 54.840 -0.063 0.000 0.749 204 L CB -0.483 41.565 42.059 -0.018 0.000 0.893 204 L HN 0.272 nan 8.230 nan 0.000 0.432 205 L N -0.557 120.629 121.223 -0.061 0.000 2.083 205 L HA -0.188 4.227 4.340 0.126 0.000 0.209 205 L C 2.582 179.418 176.870 -0.056 0.000 1.083 205 L CA 1.252 56.065 54.840 -0.045 0.000 0.752 205 L CB -0.646 41.415 42.059 0.004 0.000 0.899 205 L HN 0.354 nan 8.230 nan 0.000 0.433 206 E N 0.193 120.355 120.200 -0.065 0.000 2.077 206 E HA -0.199 4.227 4.350 0.126 0.000 0.193 206 E C 2.088 178.637 176.600 -0.085 0.000 0.989 206 E CA 0.833 57.199 56.400 -0.056 0.000 0.800 206 E CB -0.061 29.610 29.700 -0.049 0.000 0.746 206 E HN 0.370 nan 8.360 nan 0.000 0.452 207 K N 0.883 121.165 120.400 -0.197 0.000 2.097 207 K HA -0.124 4.272 4.320 0.126 0.000 0.206 207 K C 2.233 178.699 176.600 -0.222 0.000 1.049 207 K CA 0.590 56.651 56.287 -0.377 0.000 0.933 207 K CB -0.565 31.297 32.500 -1.063 0.000 0.717 207 K HN 0.116 nan 8.250 nan 0.000 0.442 208 L N 1.958 123.097 121.223 -0.141 0.000 2.046 208 L HA -0.153 4.263 4.340 0.126 0.000 0.208 208 L C 1.522 178.530 176.870 0.230 0.000 1.077 208 L CA 1.750 56.654 54.840 0.107 0.000 0.747 208 L CB -0.609 41.472 42.059 0.037 0.000 0.896 208 L HN 0.216 nan 8.230 nan 0.000 0.432 209 N N -0.694 118.058 118.700 0.086 0.000 2.120 209 N HA -0.163 4.652 4.740 0.126 0.000 0.188 209 N C 1.848 177.464 175.510 0.175 0.000 1.024 209 N CA 1.099 54.205 53.050 0.093 0.000 0.852 209 N CB -0.284 38.215 38.487 0.019 0.000 1.003 209 N HN 0.502 nan 8.380 nan 0.000 0.424 210 A N 0.330 123.231 122.820 0.135 0.000 1.902 210 A HA -0.174 4.221 4.320 0.126 0.000 0.217 210 A C 1.929 179.635 177.584 0.203 0.000 1.181 210 A CA 1.050 53.159 52.037 0.119 0.000 0.623 210 A CB -1.073 17.969 19.000 0.071 0.000 0.818 210 A HN 0.587 nan 8.150 nan 0.000 0.443 211 W N -0.569 120.838 121.300 0.178 0.000 2.355 211 W HA -0.187 4.550 4.660 0.129 0.000 0.309 211 W C 1.785 178.465 176.519 0.268 0.000 1.206 211 W CA 1.904 59.435 57.345 0.310 0.000 1.284 211 W CB -0.350 29.365 29.460 0.426 0.000 1.145 211 W HN 0.305 nan 8.180 nan 0.000 0.502 212 F N 0.466 120.706 119.950 0.483 0.000 2.134 212 F HA -0.191 4.410 4.527 0.124 0.000 0.299 212 F C 2.521 178.339 175.800 0.031 0.000 1.097 212 F CA 2.237 60.418 58.000 0.301 0.000 1.264 212 F CB -1.209 37.932 39.000 0.234 0.000 1.001 212 F HN -0.033 nan 8.300 nan 0.000 0.479 213 A N -0.485 122.441 122.820 0.178 0.000 1.898 213 A HA -0.237 4.159 4.320 0.126 0.000 0.216 213 A C 2.104 179.608 177.584 -0.134 0.000 1.181 213 A CA 1.986 54.036 52.037 0.021 0.000 0.620 213 A CB -1.088 17.923 19.000 0.018 0.000 0.819 213 A HN 0.505 nan 8.150 nan 0.000 0.442 214 N N -1.997 116.535 118.700 -0.279 0.000 2.135 214 N HA -0.134 4.681 4.740 0.126 0.000 0.186 214 N C 1.710 176.753 175.510 -0.778 0.000 1.027 214 N CA 1.343 54.054 53.050 -0.565 0.000 0.849 214 N CB -0.148 37.857 38.487 -0.804 0.000 1.002 214 N HN 0.601 nan 8.380 nan 0.000 0.425 215 Y N 0.256 120.202 120.300 -0.589 0.000 2.395 215 Y HA -0.006 4.620 4.550 0.127 0.000 0.293 215 Y C 0.414 176.058 175.900 -0.426 0.000 1.123 215 Y CA 0.219 57.896 58.100 -0.705 0.000 1.227 215 Y CB 0.151 37.704 38.460 -1.512 0.000 1.012 215 Y HN 0.037 nan 8.280 nan 0.000 0.552 216 D N 0.233 120.501 120.400 -0.220 0.000 2.737 216 D HA -0.131 4.584 4.640 0.126 0.000 0.238 216 D C -2.687 173.577 176.300 -0.060 0.000 1.157 216 D CA -0.037 53.904 54.000 -0.098 0.000 0.694 216 D CB -0.295 40.465 40.800 -0.067 0.000 1.021 216 D HN 0.162 nan 8.370 nan 0.000 0.420 217 P HA 0.095 nan 4.420 nan 0.000 0.271 217 P C 0.623 177.957 177.300 0.056 0.000 1.216 217 P CA -0.155 62.948 63.100 0.004 0.000 0.776 217 P CB 0.818 32.508 31.700 -0.017 0.000 0.881 218 D N 0.796 121.261 120.400 0.109 0.000 2.149 218 D HA -0.009 4.707 4.640 0.126 0.000 0.201 218 D C 0.488 176.867 176.300 0.131 0.000 0.972 218 D CA 1.387 55.465 54.000 0.130 0.000 0.835 218 D CB 0.281 41.180 40.800 0.165 0.000 0.966 218 D HN 0.168 nan 8.370 nan 0.000 0.476 219 V N 1.747 121.752 119.914 0.152 0.000 2.588 219 V HA 0.347 4.543 4.120 0.126 0.000 0.304 219 V C -0.024 176.092 176.094 0.036 0.000 1.042 219 V CA -0.725 61.618 62.300 0.072 0.000 0.877 219 V CB 2.591 34.397 31.823 -0.029 0.000 0.996 219 V HN -0.086 nan 8.190 nan 0.000 0.425 220 I N 6.205 126.790 120.570 0.026 0.000 2.312 220 I HA 0.538 4.784 4.170 0.126 0.000 0.290 220 I C -0.154 175.922 176.117 -0.067 0.000 1.008 220 I CA -0.309 61.013 61.300 0.036 0.000 1.226 220 I CB 1.132 39.216 38.000 0.140 0.000 1.371 220 I HN 0.646 nan 8.210 nan 0.000 0.468 221 I N 2.872 123.338 120.570 -0.173 0.000 2.957 221 I HA 1.068 5.313 4.170 0.126 0.000 0.310 221 I C 0.028 176.048 176.117 -0.162 0.000 1.063 221 I CA -0.444 60.674 61.300 -0.303 0.000 1.033 221 I CB 2.351 39.782 38.000 -0.948 0.000 1.230 221 I HN 0.617 nan 8.210 nan 0.000 0.447 222 G N 1.931 110.701 108.800 -0.049 0.000 2.341 222 G HA2 0.197 4.233 3.960 0.126 0.000 0.299 222 G HA3 0.197 4.233 3.960 0.126 0.000 0.299 222 G C -2.686 172.389 174.900 0.293 0.000 1.274 222 G CA -0.697 44.466 45.100 0.104 0.000 0.853 222 G HN 0.772 nan 8.290 nan 0.000 0.493 223 W N 1.551 122.878 121.300 0.045 0.000 2.411 223 W HA 0.437 5.096 4.660 -0.002 0.000 0.317 223 W C 0.521 177.088 176.519 0.081 0.000 1.030 223 W CA -0.244 57.136 57.345 0.059 0.000 1.239 223 W CB 1.392 30.861 29.460 0.014 0.000 1.304 223 W HN 0.775 nan 8.180 nan 0.000 0.437 224 N N 3.275 121.930 118.700 -0.076 0.000 2.735 224 N HA -0.232 4.583 4.740 0.126 0.000 0.248 224 N C 0.635 176.239 175.510 0.157 0.000 1.083 224 N CA 1.048 54.112 53.050 0.023 0.000 0.703 224 N CB -1.047 37.482 38.487 0.069 0.000 1.005 224 N HN 0.309 nan 8.380 nan 0.000 0.550 225 V N -0.820 119.170 119.914 0.127 0.000 2.392 225 V HA -0.215 3.980 4.120 0.126 0.000 0.249 225 V C 1.829 178.012 176.094 0.148 0.000 1.059 225 V CA 2.339 64.727 62.300 0.146 0.000 1.051 225 V CB -0.002 31.881 31.823 0.100 0.000 0.658 225 V HN 0.360 nan 8.190 nan 0.000 0.455 226 V N -0.683 119.319 119.914 0.146 0.000 2.300 226 V HA -0.135 4.061 4.120 0.126 0.000 0.241 226 V C 2.521 178.760 176.094 0.243 0.000 1.034 226 V CA 1.644 64.065 62.300 0.201 0.000 1.021 226 V CB -0.807 31.130 31.823 0.190 0.000 0.662 226 V HN 0.430 nan 8.190 nan 0.000 0.458 227 Q N -1.004 118.911 119.800 0.193 0.000 2.170 227 Q HA -0.118 4.297 4.340 0.126 0.000 0.203 227 Q C 1.886 178.000 176.000 0.189 0.000 0.976 227 Q CA 1.784 57.687 55.803 0.166 0.000 0.858 227 Q CB -0.272 28.542 28.738 0.127 0.000 0.907 227 Q HN 0.695 nan 8.270 nan 0.000 0.433 228 F N 0.652 120.640 119.950 0.064 0.000 2.394 228 F HA 0.037 4.648 4.527 0.140 0.000 0.269 228 F C 1.288 177.124 175.800 0.059 0.000 1.012 228 F CA 0.829 58.859 58.000 0.050 0.000 1.138 228 F CB -0.211 38.820 39.000 0.052 0.000 1.140 228 F HN -0.052 nan 8.300 nan 0.000 0.623 229 D N 1.116 121.437 120.400 -0.132 0.000 2.084 229 D HA -0.187 4.529 4.640 0.126 0.000 0.194 229 D C 2.316 178.531 176.300 -0.141 0.000 0.990 229 D CA 2.144 55.994 54.000 -0.250 0.000 0.826 229 D CB -0.423 40.398 40.800 0.035 0.000 0.971 229 D HN 0.271 nan 8.370 nan 0.000 0.453 230 L N 0.264 121.509 121.223 0.038 0.000 2.093 230 L HA -0.090 4.325 4.340 0.126 0.000 0.208 230 L C 2.544 179.541 176.870 0.211 0.000 1.085 230 L CA 0.828 55.764 54.840 0.160 0.000 0.755 230 L CB -0.394 41.816 42.059 0.251 0.000 0.904 230 L HN 0.029 nan 8.230 nan 0.000 0.435 231 R N 0.107 120.660 120.500 0.089 0.000 2.073 231 R HA -0.182 4.233 4.340 0.126 0.000 0.234 231 R C 2.324 178.506 176.300 -0.198 0.000 1.134 231 R CA 1.453 57.454 56.100 -0.164 0.000 0.952 231 R CB -0.061 30.145 30.300 -0.157 0.000 0.850 231 R HN 0.179 nan 8.270 nan 0.000 0.433 232 M N 0.773 120.232 119.600 -0.236 0.000 2.175 232 M HA -0.101 4.454 4.480 0.126 0.000 0.264 232 M C 2.290 178.572 176.300 -0.031 0.000 1.063 232 M CA 1.297 56.476 55.300 -0.202 0.000 1.119 232 M CB -0.826 31.500 32.600 -0.456 0.000 1.377 232 M HN 0.250 nan 8.290 nan 0.000 0.415 233 L N -0.466 120.710 121.223 -0.080 0.000 2.093 233 L HA -0.236 4.180 4.340 0.126 0.000 0.208 233 L C 2.616 179.513 176.870 0.046 0.000 1.085 233 L CA 1.135 55.957 54.840 -0.030 0.000 0.755 233 L CB -0.566 41.470 42.059 -0.039 0.000 0.904 233 L HN 0.289 nan 8.230 nan 0.000 0.435 234 Q N 0.852 120.672 119.800 0.033 0.000 2.119 234 Q HA -0.250 4.166 4.340 0.126 0.000 0.201 234 Q C 2.071 178.022 176.000 -0.083 0.000 0.972 234 Q CA 1.824 57.630 55.803 0.005 0.000 0.847 234 Q CB -0.080 28.593 28.738 -0.107 0.000 0.903 234 Q HN 0.271 nan 8.270 nan 0.000 0.433 235 K N -1.355 118.971 120.400 -0.123 0.000 2.057 235 K HA -0.209 4.187 4.320 0.126 0.000 0.207 235 K C 1.776 178.267 176.600 -0.181 0.000 1.049 235 K CA 1.652 57.831 56.287 -0.180 0.000 0.931 235 K CB -0.219 32.164 32.500 -0.195 0.000 0.714 235 K HN 0.376 nan 8.250 nan 0.000 0.440 236 H N -0.482 118.501 119.070 -0.145 0.000 2.357 236 H HA 0.015 4.647 4.556 0.125 0.000 0.301 236 H C 1.851 177.143 175.328 -0.061 0.000 1.082 236 H CA 1.761 57.741 56.048 -0.114 0.000 1.342 236 H CB -0.170 29.617 29.762 0.043 0.000 1.389 236 H HN 0.388 nan 8.280 nan 0.000 0.511 237 A N 0.858 123.747 122.820 0.115 0.000 1.902 237 A HA -0.209 4.187 4.320 0.126 0.000 0.217 237 A C 2.095 179.687 177.584 0.013 0.000 1.181 237 A CA 1.899 53.991 52.037 0.091 0.000 0.623 237 A CB -0.325 18.715 19.000 0.066 0.000 0.818 237 A HN 0.528 nan 8.150 nan 0.000 0.443 238 E N -1.015 119.147 120.200 -0.063 0.000 2.072 238 E HA -0.181 4.245 4.350 0.126 0.000 0.191 238 E C 2.288 178.792 176.600 -0.160 0.000 0.985 238 E CA 1.124 57.462 56.400 -0.103 0.000 0.801 238 E CB -0.121 29.494 29.700 -0.141 0.000 0.750 238 E HN 0.484 nan 8.360 nan 0.000 0.452 239 R N -0.045 120.280 120.500 -0.291 0.000 2.096 239 R HA -0.130 4.285 4.340 0.126 0.000 0.235 239 R C 1.242 177.285 176.300 -0.428 0.000 1.127 239 R CA 1.304 57.129 56.100 -0.458 0.000 0.968 239 R CB -0.056 29.771 30.300 -0.789 0.000 0.861 239 R HN 0.204 nan 8.270 nan 0.000 0.440 240 Y N -0.384 119.894 120.300 -0.036 0.000 2.457 240 Y HA 0.266 4.891 4.550 0.125 0.000 0.263 240 Y C 0.003 175.895 175.900 -0.013 0.000 1.164 240 Y CA -0.237 57.853 58.100 -0.016 0.000 1.274 240 Y CB 0.216 38.680 38.460 0.007 0.000 1.097 240 Y HN -0.107 nan 8.280 nan 0.000 0.523 241 R N 0.315 120.856 120.500 0.069 0.000 3.333 241 R HA -0.182 4.233 4.340 0.126 0.000 0.256 241 R C -1.108 175.227 176.300 0.058 0.000 1.010 241 R CA 0.822 56.947 56.100 0.041 0.000 0.680 241 R CB -2.614 27.700 30.300 0.024 0.000 1.102 241 R HN 0.456 nan 8.270 nan 0.000 0.440 242 L N -3.423 117.845 121.223 0.075 0.000 2.401 242 L HA 0.850 5.266 4.340 0.126 0.000 0.266 242 L C -2.319 174.577 176.870 0.043 0.000 0.991 242 L CA -2.636 52.238 54.840 0.056 0.000 0.818 242 L CB 2.128 44.223 42.059 0.060 0.000 1.321 242 L HN -0.252 nan 8.230 nan 0.000 0.413 243 P HA 0.038 nan 4.420 nan 0.000 0.268 243 P C -0.918 176.384 177.300 0.004 0.000 1.205 243 P CA -0.156 62.952 63.100 0.014 0.000 0.771 243 P CB 1.265 32.967 31.700 0.004 0.000 0.858 244 L N 4.967 126.189 121.223 -0.001 0.000 2.288 244 L HA 0.259 4.674 4.340 0.126 0.000 0.283 244 L C 0.514 177.335 176.870 -0.083 0.000 1.072 244 L CA -0.326 54.493 54.840 -0.035 0.000 0.862 244 L CB -0.358 41.698 42.059 -0.005 0.000 1.245 244 L HN 0.228 nan 8.230 nan 0.000 0.432 245 R N 6.149 126.590 120.500 -0.100 0.000 3.235 245 R HA 0.264 4.679 4.340 0.126 0.000 0.232 245 R C 0.372 176.541 176.300 -0.217 0.000 1.475 245 R CA -0.155 55.877 56.100 -0.113 0.000 1.405 245 R CB 0.254 30.523 30.300 -0.052 0.000 1.266 245 R HN 0.669 nan 8.270 nan 0.000 0.650 246 L N 0.478 121.515 121.223 -0.310 0.000 2.628 246 L HA 0.230 4.646 4.340 0.126 0.000 0.229 246 L C 1.040 177.785 176.870 -0.208 0.000 1.137 246 L CA -0.112 54.396 54.840 -0.554 0.000 0.909 246 L CB 0.431 42.140 42.059 -0.584 0.000 1.137 246 L HN 0.470 nan 8.230 nan 0.000 0.470 247 G N -0.101 108.621 108.800 -0.131 0.000 2.471 247 G HA2 0.502 4.538 3.960 0.126 0.000 0.332 247 G HA3 0.502 4.538 3.960 0.126 0.000 0.332 247 G C -0.349 174.466 174.900 -0.142 0.000 1.176 247 G CA -0.635 44.394 45.100 -0.120 0.000 0.949 247 G HN 0.010 nan 8.290 nan 0.000 0.488 248 R N -0.217 120.094 120.500 -0.315 0.000 2.738 248 R HA 0.187 4.602 4.340 0.126 0.000 0.268 248 R C -0.076 176.038 176.300 -0.309 0.000 1.062 248 R CA 0.167 55.986 56.100 -0.468 0.000 1.158 248 R CB 0.314 29.936 30.300 -1.130 0.000 1.046 248 R HN 0.651 nan 8.270 nan 0.000 0.493 249 D N 1.302 121.625 120.400 -0.129 0.000 2.800 249 D HA -0.192 4.523 4.640 0.126 0.000 0.232 249 D C -0.770 175.529 176.300 -0.002 0.000 1.137 249 D CA 0.813 54.838 54.000 0.042 0.000 0.718 249 D CB -1.196 39.712 40.800 0.179 0.000 1.084 249 D HN 0.789 nan 8.370 nan 0.000 0.432 250 N N -1.332 117.354 118.700 -0.023 0.000 2.721 250 N HA -0.234 4.582 4.740 0.126 0.000 0.249 250 N C -0.248 175.243 175.510 -0.030 0.000 1.072 250 N CA 1.259 54.299 53.050 -0.017 0.000 0.710 250 N CB -1.569 36.917 38.487 -0.002 0.000 0.993 250 N HN 0.662 nan 8.380 nan 0.000 0.547 251 S N -0.876 114.791 115.700 -0.055 0.000 2.632 251 S HA 0.418 4.963 4.470 0.126 0.000 0.271 251 S C 0.249 174.807 174.600 -0.070 0.000 1.260 251 S CA -0.745 57.420 58.200 -0.059 0.000 1.010 251 S CB 2.157 65.312 63.200 -0.074 0.000 0.965 251 S HN 0.161 nan 8.310 nan 0.000 0.534 252 E N 0.123 120.290 120.200 -0.055 0.000 2.343 252 E HA 0.287 4.713 4.350 0.126 0.000 0.269 252 E C -0.350 176.203 176.600 -0.079 0.000 1.047 252 E CA -0.683 55.685 56.400 -0.053 0.000 0.874 252 E CB 0.693 30.383 29.700 -0.018 0.000 1.033 252 E HN 0.534 nan 8.360 nan 0.000 0.409 253 L N 2.261 123.425 121.223 -0.098 0.000 2.456 253 L HA 0.071 4.487 4.340 0.126 0.000 0.272 253 L C -0.453 176.322 176.870 -0.159 0.000 1.189 253 L CA 0.808 55.546 54.840 -0.171 0.000 0.846 253 L CB 0.407 42.357 42.059 -0.181 0.000 1.111 253 L HN 0.471 nan 8.230 nan 0.000 0.475 254 E N 3.600 123.643 120.200 -0.263 0.000 2.212 254 E HA 0.342 4.767 4.350 0.126 0.000 0.268 254 E C -1.779 174.624 176.600 -0.329 0.000 0.902 254 E CA -0.413 55.890 56.400 -0.162 0.000 0.779 254 E CB 1.261 30.925 29.700 -0.060 0.000 1.172 254 E HN 0.569 nan 8.360 nan 0.000 0.409 255 W N 1.822 123.169 121.300 0.079 0.000 2.471 255 W HA 0.394 5.127 4.660 0.122 0.000 0.318 255 W C -0.328 176.332 176.519 0.236 0.000 1.034 255 W CA -0.735 56.701 57.345 0.152 0.000 1.224 255 W CB 1.268 30.781 29.460 0.089 0.000 1.335 255 W HN 0.212 nan 8.180 nan 0.000 0.452 256 R N 1.883 122.672 120.500 0.482 0.000 2.387 256 R HA 0.357 4.772 4.340 0.126 0.000 0.314 256 R C -0.305 176.217 176.300 0.369 0.000 0.958 256 R CA -1.001 55.325 56.100 0.378 0.000 0.846 256 R CB 2.201 32.660 30.300 0.265 0.000 1.147 256 R HN 0.462 nan 8.270 nan 0.000 0.447 257 E N 2.379 122.648 120.200 0.115 0.000 2.349 257 E HA -0.003 4.422 4.350 0.126 0.000 0.262 257 E C -0.210 176.320 176.600 -0.117 0.000 1.088 257 E CA -0.551 55.545 56.400 -0.507 0.000 0.899 257 E CB 0.709 29.839 29.700 -0.949 0.000 1.044 257 E HN 0.501 nan 8.360 nan 0.000 0.420 262 N N -0.832 117.809 118.700 -0.099 0.000 2.135 262 N HA 0.134 4.950 4.740 0.126 0.000 0.186 262 N C 0.364 175.864 175.510 -0.016 0.000 1.027 262 N CA 2.179 55.208 53.050 -0.035 0.000 0.849 262 N CB 0.157 38.643 38.487 -0.003 0.000 1.002 262 N HN 0.957 nan 8.380 nan 0.000 0.425 266 F N 1.821 122.044 119.950 0.455 0.000 2.458 266 F HA 0.713 5.315 4.527 0.125 0.000 0.336 266 F C 0.355 176.180 175.800 0.042 0.000 1.114 266 F CA -0.905 57.237 58.000 0.235 0.000 0.987 266 F CB 1.611 40.671 39.000 0.100 0.000 1.130 266 F HN 0.463 nan 8.300 nan 0.000 0.458 267 A N 3.755 126.547 122.820 -0.048 0.000 2.366 267 A HA 0.601 4.996 4.320 0.126 0.000 0.272 267 A C -0.445 176.950 177.584 -0.315 0.000 1.135 267 A CA -0.470 51.176 52.037 -0.650 0.000 0.804 267 A CB 0.417 18.971 19.000 -0.743 0.000 1.064 267 A HN 0.652 nan 8.150 nan 0.000 0.499 268 Q N 0.594 120.175 119.800 -0.365 0.000 2.292 268 Q HA 0.561 4.977 4.340 0.126 0.000 0.270 268 Q C -1.063 174.826 176.000 -0.185 0.000 1.024 268 Q CA -0.312 55.376 55.803 -0.190 0.000 0.768 268 Q CB 2.175 30.850 28.738 -0.105 0.000 1.250 268 Q HN 0.853 nan 8.270 nan 0.000 0.447 269 A N 2.977 125.724 122.820 -0.122 0.000 2.291 269 A HA 0.413 4.809 4.320 0.126 0.000 0.311 269 A C -0.136 177.411 177.584 -0.061 0.000 1.224 269 A CA -0.684 51.291 52.037 -0.103 0.000 0.821 269 A CB 0.726 19.676 19.000 -0.083 0.000 1.172 269 A HN 0.615 nan 8.150 nan 0.000 0.494 270 K N 2.117 122.472 120.400 -0.075 0.000 2.451 270 K HA 0.324 4.720 4.320 0.126 0.000 0.280 270 K C 1.061 177.468 176.600 -0.322 0.000 1.020 270 K CA 1.129 57.383 56.287 -0.055 0.000 1.008 270 K CB 0.083 32.505 32.500 -0.129 0.000 0.917 270 K HN 1.804 nan 8.250 nan 0.000 0.478 271 G N 3.163 111.825 108.800 -0.229 0.000 2.162 271 G HA2 -0.300 3.736 3.960 0.126 0.000 0.260 271 G HA3 -0.300 3.736 3.960 0.126 0.000 0.260 271 G C -0.115 174.723 174.900 -0.103 0.000 0.976 271 G CA 0.585 45.451 45.100 -0.389 0.000 0.655 271 G HN 0.672 nan 8.290 nan 0.000 0.533 272 R N -1.113 119.370 120.500 -0.029 0.000 2.771 272 R HA 0.731 5.147 4.340 0.126 0.000 0.274 272 R C -0.185 176.147 176.300 0.053 0.000 0.987 272 R CA -0.947 55.173 56.100 0.033 0.000 0.908 272 R CB 1.363 31.690 30.300 0.045 0.000 1.213 272 R HN 0.121 nan 8.270 nan 0.000 0.468 273 L N 3.154 124.418 121.223 0.067 0.000 2.322 273 L HA 0.564 4.980 4.340 0.126 0.000 0.279 273 L C -0.402 176.487 176.870 0.032 0.000 1.036 273 L CA -0.708 54.161 54.840 0.049 0.000 0.807 273 L CB 1.398 43.491 42.059 0.057 0.000 1.226 273 L HN 0.471 nan 8.230 nan 0.000 0.433 274 I N 4.420 125.000 120.570 0.016 0.000 2.382 274 I HA 0.356 4.602 4.170 0.126 0.000 0.285 274 I C -0.605 175.529 176.117 0.028 0.000 1.007 274 I CA -0.350 60.960 61.300 0.016 0.000 1.142 274 I CB 1.768 39.767 38.000 -0.003 0.000 1.289 274 I HN 0.327 nan 8.210 nan 0.000 0.453 275 I N 4.788 125.380 120.570 0.036 0.000 2.411 275 I HA 0.234 4.480 4.170 0.126 0.000 0.284 275 I C -0.445 175.753 176.117 0.134 0.000 1.012 275 I CA -0.479 60.877 61.300 0.095 0.000 1.119 275 I CB 1.444 39.523 38.000 0.132 0.000 1.261 275 I HN 0.515 nan 8.210 nan 0.000 0.448 276 D N 4.284 124.748 120.400 0.106 0.000 2.277 276 D HA 0.320 5.036 4.640 0.126 0.000 0.249 276 D C 1.417 177.701 176.300 -0.026 0.000 1.134 276 D CA -0.097 53.925 54.000 0.036 0.000 0.863 276 D CB 1.885 42.677 40.800 -0.014 0.000 1.143 276 D HN 0.695 nan 8.370 nan 0.000 0.458 277 G N 3.632 112.409 108.800 -0.039 0.000 2.442 277 G HA2 -0.225 3.811 3.960 0.126 0.000 0.219 277 G HA3 -0.225 3.811 3.960 0.126 0.000 0.219 277 G C 1.570 176.132 174.900 -0.564 0.000 1.141 277 G CA 0.536 45.500 45.100 -0.227 0.000 0.763 277 G HN 0.654 nan 8.290 nan 0.000 0.554 278 I N 0.485 120.554 120.570 -0.836 0.000 2.142 278 I HA -0.162 4.084 4.170 0.126 0.000 0.240 278 I C 2.802 178.677 176.117 -0.404 0.000 1.078 278 I CA 1.453 62.389 61.300 -0.607 0.000 1.343 278 I CB -0.319 37.309 38.000 -0.620 0.000 1.046 278 I HN 0.271 nan 8.210 nan 0.000 0.405 279 E N 1.018 121.012 120.200 -0.343 0.000 2.077 279 E HA -0.197 4.229 4.350 0.126 0.000 0.193 279 E C 2.327 178.607 176.600 -0.532 0.000 0.989 279 E CA 1.257 57.443 56.400 -0.357 0.000 0.800 279 E CB -0.228 29.380 29.700 -0.153 0.000 0.746 279 E HN 0.509 nan 8.360 nan 0.000 0.452 280 A N 1.284 123.889 122.820 -0.359 0.000 1.883 280 A HA -0.193 4.202 4.320 0.126 0.000 0.217 280 A C 2.136 179.526 177.584 -0.323 0.000 1.186 280 A CA 1.174 53.027 52.037 -0.307 0.000 0.624 280 A CB -0.549 18.350 19.000 -0.169 0.000 0.822 280 A HN 0.110 nan 8.150 nan 0.000 0.444 281 L N -0.138 120.932 121.223 -0.255 0.000 2.017 281 L HA -0.152 4.264 4.340 0.126 0.000 0.208 281 L C 2.373 179.270 176.870 0.045 0.000 1.073 281 L CA 2.093 56.884 54.840 -0.081 0.000 0.745 281 L CB -0.854 41.292 42.059 0.146 0.000 0.894 281 L HN 0.381 nan 8.230 nan 0.000 0.432 282 K N -0.831 119.527 120.400 -0.070 0.000 2.103 282 K HA -0.163 4.233 4.320 0.126 0.000 0.207 282 K C 2.227 178.644 176.600 -0.305 0.000 1.048 282 K CA 1.563 57.761 56.287 -0.148 0.000 0.930 282 K CB -0.278 32.008 32.500 -0.357 0.000 0.716 282 K HN 0.459 nan 8.250 nan 0.000 0.444 283 S N 0.750 116.190 115.700 -0.432 0.000 2.399 283 S HA -0.102 4.443 4.470 0.126 0.000 0.231 283 S C 1.845 175.987 174.600 -0.764 0.000 1.022 283 S CA 1.056 58.953 58.200 -0.505 0.000 0.983 283 S CB -0.090 62.829 63.200 -0.469 0.000 0.803 283 S HN 0.256 nan 8.310 nan 0.000 0.480 284 A N -0.371 122.030 122.820 -0.698 0.000 2.415 284 A HA 0.604 5.000 4.320 0.126 0.000 0.248 284 A C 0.440 177.744 177.584 -0.467 0.000 1.299 284 A CA -0.422 51.065 52.037 -0.917 0.000 0.899 284 A CB -1.035 17.195 19.000 -1.283 0.000 0.997 284 A HN 0.634 nan 8.150 nan 0.000 0.506 285 F N -4.684 115.242 119.950 -0.041 0.000 2.988 285 F HA -0.228 4.375 4.527 0.126 0.000 0.287 285 F C 0.078 175.826 175.800 -0.087 0.000 0.781 285 F CA 0.009 57.974 58.000 -0.059 0.000 1.221 285 F CB -2.752 36.177 39.000 -0.119 0.000 1.392 285 F HN 0.457 nan 8.300 nan 0.000 0.425 286 W N 1.443 122.731 121.300 -0.019 0.000 2.218 286 W HA 0.507 5.239 4.660 0.119 0.000 0.326 286 W C 0.591 177.011 176.519 -0.165 0.000 1.276 286 W CA -0.059 57.213 57.345 -0.122 0.000 1.210 286 W CB 0.447 29.884 29.460 -0.039 0.000 1.143 286 W HN 0.043 nan 8.180 nan 0.000 0.563 287 N N 1.358 119.838 118.700 -0.366 0.000 2.242 287 N HA 0.671 5.487 4.740 0.126 0.000 0.292 287 N C -1.714 173.235 175.510 -0.935 0.000 1.125 287 N CA -0.560 52.282 53.050 -0.346 0.000 0.783 287 N CB 1.349 39.818 38.487 -0.031 0.000 1.558 287 N HN 0.144 nan 8.380 nan 0.000 0.472 288 F N -0.474 119.417 119.950 -0.099 0.000 2.643 288 F HA 0.300 4.913 4.527 0.144 0.000 0.314 288 F C 1.627 177.397 175.800 -0.050 0.000 1.096 288 F CA -0.801 57.108 58.000 -0.152 0.000 0.953 288 F CB 1.447 40.218 39.000 -0.382 0.000 1.345 288 F HN 0.531 nan 8.300 nan 0.000 0.468 289 S N -0.534 115.265 115.700 0.165 0.000 2.382 289 S HA -0.039 4.506 4.470 0.126 0.000 0.228 289 S C 0.660 175.358 174.600 0.162 0.000 1.027 289 S CA 1.096 59.375 58.200 0.131 0.000 0.991 289 S CB -0.222 63.033 63.200 0.092 0.000 0.823 289 S HN 0.678 nan 8.310 nan 0.000 0.469 290 S N -1.338 114.452 115.700 0.149 0.000 2.579 290 S HA 0.644 5.189 4.470 0.126 0.000 0.272 290 S C -0.945 173.738 174.600 0.139 0.000 1.141 290 S CA -0.856 57.458 58.200 0.191 0.000 0.843 290 S CB 0.846 64.126 63.200 0.133 0.000 1.122 290 S HN 0.179 nan 8.310 nan 0.000 0.468 291 F N 2.531 122.602 119.950 0.201 0.000 2.639 291 F HA 0.281 4.870 4.527 0.103 0.000 0.300 291 F C 1.493 177.519 175.800 0.376 0.000 1.109 291 F CA -0.044 58.114 58.000 0.263 0.000 1.335 291 F CB 0.408 39.527 39.000 0.199 0.000 1.014 291 F HN 0.650 nan 8.300 nan 0.000 0.537 292 S N 0.083 115.960 115.700 0.296 0.000 2.572 292 S HA 0.013 4.559 4.470 0.126 0.000 0.279 292 S C 1.283 175.858 174.600 -0.041 0.000 1.341 292 S CA -0.669 57.653 58.200 0.203 0.000 1.043 292 S CB 1.108 64.344 63.200 0.060 0.000 0.887 292 S HN 0.333 nan 8.310 nan 0.000 0.516 293 L N 2.824 123.845 121.223 -0.337 0.000 2.042 293 L HA 0.022 4.437 4.340 0.126 0.000 0.210 293 L C 2.933 179.485 176.870 -0.530 0.000 1.076 293 L CA 2.783 57.068 54.840 -0.925 0.000 0.749 293 L CB -1.625 39.861 42.059 -0.956 0.000 0.893 293 L HN 1.029 nan 8.230 nan 0.000 0.432 294 E N -1.489 118.528 120.200 -0.305 0.000 2.051 294 E HA -0.223 4.203 4.350 0.126 0.000 0.192 294 E C 2.074 178.554 176.600 -0.200 0.000 0.991 294 E CA 2.031 58.302 56.400 -0.216 0.000 0.799 294 E CB -1.621 27.998 29.700 -0.136 0.000 0.748 294 E HN 0.648 nan 8.360 nan 0.000 0.449 295 T N 0.183 114.634 114.554 -0.171 0.000 2.777 295 T HA -0.090 4.335 4.350 0.126 0.000 0.266 295 T C 2.196 176.753 174.700 -0.238 0.000 1.040 295 T CA 1.389 63.403 62.100 -0.143 0.000 1.141 295 T CB -0.255 68.569 68.868 -0.074 0.000 0.868 295 T HN 0.252 nan 8.240 nan 0.000 0.444 296 V N 1.673 121.343 119.914 -0.407 0.000 2.343 296 V HA -0.147 4.049 4.120 0.126 0.000 0.247 296 V C 2.872 178.680 176.094 -0.477 0.000 1.051 296 V CA 1.641 63.527 62.300 -0.690 0.000 1.036 296 V CB -1.151 30.128 31.823 -0.907 0.000 0.654 296 V HN 0.522 nan 8.190 nan 0.000 0.451 297 A N -1.051 121.523 122.820 -0.410 0.000 1.902 297 A HA -0.263 4.132 4.320 0.126 0.000 0.217 297 A C 2.234 179.706 177.584 -0.186 0.000 1.181 297 A CA 1.840 53.699 52.037 -0.297 0.000 0.623 297 A CB -0.496 18.325 19.000 -0.298 0.000 0.818 297 A HN 0.481 nan 8.150 nan 0.000 0.443 298 Q N -0.070 119.632 119.800 -0.163 0.000 2.016 298 Q HA -0.170 4.246 4.340 0.126 0.000 0.200 298 Q C 1.949 177.916 176.000 -0.054 0.000 0.978 298 Q CA 2.126 57.873 55.803 -0.094 0.000 0.833 298 Q CB -0.342 28.346 28.738 -0.083 0.000 0.895 298 Q HN 0.813 nan 8.270 nan 0.000 0.427 299 E N -0.068 120.104 120.200 -0.046 0.000 2.072 299 E HA -0.165 4.260 4.350 0.126 0.000 0.191 299 E C 1.952 178.608 176.600 0.094 0.000 0.985 299 E CA 0.920 57.351 56.400 0.052 0.000 0.801 299 E CB -0.041 29.745 29.700 0.143 0.000 0.750 299 E HN 0.141 nan 8.360 nan 0.000 0.452 300 L N 0.137 121.380 121.223 0.035 0.000 2.127 300 L HA 0.010 4.426 4.340 0.126 0.000 0.203 300 L C 1.661 178.544 176.870 0.021 0.000 1.080 300 L CA 1.558 56.442 54.840 0.074 0.000 0.768 300 L CB 0.109 42.156 42.059 -0.021 0.000 0.924 300 L HN 0.042 nan 8.230 nan 0.000 0.444 301 L N -0.690 120.511 121.223 -0.037 0.000 2.664 301 L HA 0.419 4.835 4.340 0.126 0.000 0.233 301 L C 1.140 177.997 176.870 -0.021 0.000 1.113 301 L CA 0.367 55.190 54.840 -0.028 0.000 0.896 301 L CB -0.196 41.827 42.059 -0.059 0.000 1.163 301 L HN 0.400 nan 8.230 nan 0.000 0.497 302 G N 0.984 109.771 108.800 -0.022 0.000 2.272 302 G HA2 -0.209 3.826 3.960 0.126 0.000 0.280 302 G HA3 -0.209 3.826 3.960 0.126 0.000 0.280 302 G C 0.215 175.097 174.900 -0.030 0.000 1.067 302 G CA -0.017 45.072 45.100 -0.017 0.000 0.902 302 G HN 0.231 nan 8.290 nan 0.000 0.500 303 E N -0.237 119.933 120.200 -0.050 0.000 3.218 303 E HA 0.544 4.969 4.350 0.126 0.000 0.265 303 E C 1.631 178.203 176.600 -0.046 0.000 1.393 303 E CA 0.250 56.617 56.400 -0.054 0.000 1.160 303 E CB 0.015 29.666 29.700 -0.082 0.000 1.272 303 E HN 0.467 nan 8.360 nan 0.000 0.720 307 I N 3.404 123.934 120.570 -0.066 0.000 3.775 307 I HA -0.032 4.213 4.170 0.126 0.000 0.126 307 I C -0.207 175.860 176.117 -0.083 0.000 1.037 307 I CA 1.540 62.800 61.300 -0.068 0.000 2.738 307 I CB -2.041 35.930 38.000 -0.049 0.000 1.374 307 I HN 0.578 nan 8.210 nan 0.000 0.342 308 D N 1.519 121.848 120.400 -0.117 0.000 2.654 308 D HA 0.330 5.046 4.640 0.126 0.000 0.231 308 D C -0.745 175.405 176.300 -0.250 0.000 1.239 308 D CA -0.621 53.289 54.000 -0.149 0.000 0.790 308 D CB 0.548 41.273 40.800 -0.125 0.000 1.480 308 D HN 0.400 nan 8.370 nan 0.000 0.442 309 N N 1.221 119.704 118.700 -0.362 0.000 2.441 309 N HA 0.127 4.942 4.740 0.126 0.000 0.251 309 N C -1.430 173.646 175.510 -0.724 0.000 1.242 309 N CA -0.808 51.796 53.050 -0.742 0.000 0.898 309 N CB 0.606 38.368 38.487 -1.208 0.000 1.100 309 N HN 0.321 nan 8.380 nan 0.000 0.443 310 P HA -0.104 nan 4.420 nan 0.000 0.217 310 P C 1.105 178.251 177.300 -0.257 0.000 1.150 310 P CA 1.487 64.325 63.100 -0.437 0.000 0.832 310 P CB -0.075 31.423 31.700 -0.336 0.000 0.787 311 W N 0.832 122.126 121.300 -0.010 0.000 2.358 311 W HA -0.073 4.674 4.660 0.145 0.000 0.303 311 W C 1.452 177.965 176.519 -0.009 0.000 1.208 311 W CA 0.923 58.267 57.345 -0.001 0.000 1.274 311 W CB -2.110 27.363 29.460 0.022 0.000 1.138 311 W HN -0.135 nan 8.180 nan 0.000 0.515 312 D N 0.884 121.296 120.400 0.021 0.000 2.117 312 D HA -0.211 4.505 4.640 0.126 0.000 0.197 312 D C 2.172 178.445 176.300 -0.045 0.000 0.987 312 D CA 2.250 56.259 54.000 0.015 0.000 0.829 312 D CB -0.588 40.176 40.800 -0.060 0.000 0.961 312 D HN 0.335 nan 8.370 nan 0.000 0.460 313 R N -0.082 120.351 120.500 -0.112 0.000 2.092 313 R HA -0.089 4.326 4.340 0.126 0.000 0.231 313 R C 2.038 178.293 176.300 -0.074 0.000 1.119 313 R CA 1.063 57.087 56.100 -0.128 0.000 0.970 313 R CB -0.270 29.946 30.300 -0.140 0.000 0.864 313 R HN 0.008 nan 8.270 nan 0.000 0.440 314 M N 1.613 121.205 119.600 -0.013 0.000 2.108 314 M HA -0.147 4.409 4.480 0.126 0.000 0.261 314 M C 1.128 177.457 176.300 0.047 0.000 1.066 314 M CA 1.751 57.072 55.300 0.035 0.000 1.107 314 M CB -0.778 31.862 32.600 0.066 0.000 1.356 314 M HN 0.207 nan 8.290 nan 0.000 0.406 315 D N -0.399 120.031 120.400 0.049 0.000 2.117 315 D HA -0.181 4.535 4.640 0.126 0.000 0.197 315 D C 1.877 178.187 176.300 0.016 0.000 0.987 315 D CA 1.318 55.348 54.000 0.050 0.000 0.829 315 D CB -0.268 40.570 40.800 0.064 0.000 0.961 315 D HN 0.393 nan 8.370 nan 0.000 0.460 316 E N 0.854 121.036 120.200 -0.031 0.000 2.110 316 E HA -0.122 4.304 4.350 0.126 0.000 0.193 316 E C 2.105 178.659 176.600 -0.075 0.000 0.988 316 E CA 0.704 57.062 56.400 -0.070 0.000 0.804 316 E CB -0.390 29.229 29.700 -0.135 0.000 0.745 316 E HN 0.301 nan 8.360 nan 0.000 0.458 317 I N 0.796 121.324 120.570 -0.070 0.000 2.226 317 I HA -0.243 4.002 4.170 0.126 0.000 0.245 317 I C 1.715 177.833 176.117 0.002 0.000 1.100 317 I CA 1.376 62.660 61.300 -0.026 0.000 1.374 317 I CB -0.262 37.775 38.000 0.062 0.000 1.057 317 I HN 0.123 nan 8.210 nan 0.000 0.413 318 D N 0.368 120.808 120.400 0.067 0.000 2.117 318 D HA -0.176 4.539 4.640 0.126 0.000 0.198 318 D C 2.209 178.552 176.300 0.071 0.000 0.982 318 D CA 0.974 55.040 54.000 0.110 0.000 0.828 318 D CB -0.267 40.626 40.800 0.156 0.000 0.967 318 D HN 0.261 nan 8.370 nan 0.000 0.464 319 R N 0.882 121.405 120.500 0.038 0.000 2.075 319 R HA -0.038 4.377 4.340 0.126 0.000 0.232 319 R C 2.229 178.529 176.300 -0.001 0.000 1.126 319 R CA 0.845 56.959 56.100 0.022 0.000 0.963 319 R CB 0.130 30.435 30.300 0.008 0.000 0.858 319 R HN 0.066 nan 8.270 nan 0.000 0.435 320 R N -0.726 119.765 120.500 -0.016 0.000 2.075 320 R HA -0.136 4.279 4.340 0.126 0.000 0.232 320 R C 2.152 178.431 176.300 -0.035 0.000 1.126 320 R CA 1.620 57.706 56.100 -0.023 0.000 0.963 320 R CB -0.391 29.896 30.300 -0.021 0.000 0.858 320 R HN 0.206 nan 8.270 nan 0.000 0.435 321 F N 1.209 121.022 119.950 -0.228 0.000 2.146 321 F HA -0.111 4.491 4.527 0.126 0.000 0.298 321 F C 2.186 177.907 175.800 -0.132 0.000 1.096 321 F CA 1.330 59.149 58.000 -0.301 0.000 1.275 321 F CB -0.230 38.274 39.000 -0.827 0.000 1.008 321 F HN -0.026 nan 8.300 nan 0.000 0.480 322 A N -0.562 122.237 122.820 -0.034 0.000 1.930 322 A HA -0.111 4.284 4.320 0.126 0.000 0.217 322 A C 2.120 179.647 177.584 -0.096 0.000 1.175 322 A CA 1.894 53.905 52.037 -0.045 0.000 0.627 322 A CB -0.485 18.551 19.000 0.060 0.000 0.815 322 A HN 0.536 nan 8.150 nan 0.000 0.443 323 E N -2.051 118.105 120.200 -0.074 0.000 2.306 323 E HA 0.020 4.445 4.350 0.126 0.000 0.201 323 E C -0.471 176.092 176.600 -0.062 0.000 0.874 323 E CA 0.313 56.678 56.400 -0.058 0.000 0.972 323 E CB 0.482 30.165 29.700 -0.029 0.000 0.957 323 E HN 0.343 nan 8.360 nan 0.000 0.492 324 D N 0.442 120.808 120.400 -0.056 0.000 2.468 324 D HA 0.136 4.852 4.640 0.126 0.000 0.272 324 D C 0.241 176.530 176.300 -0.018 0.000 1.221 324 D CA -0.049 53.933 54.000 -0.030 0.000 0.860 324 D CB 0.464 41.256 40.800 -0.014 0.000 1.190 324 D HN -0.129 nan 8.370 nan 0.000 0.509 325 K N 0.863 121.245 120.400 -0.029 0.000 2.147 325 K HA -0.083 4.312 4.320 0.126 0.000 0.205 325 K C -1.010 175.622 176.600 0.054 0.000 1.049 325 K CA 1.088 57.377 56.287 0.003 0.000 0.936 325 K CB -0.291 32.215 32.500 0.010 0.000 0.722 325 K HN 0.318 nan 8.250 nan 0.000 0.446 326 P HA -0.135 nan 4.420 nan 0.000 0.217 326 P C 1.011 178.372 177.300 0.101 0.000 1.150 326 P CA 1.429 64.570 63.100 0.068 0.000 0.832 326 P CB 0.047 31.770 31.700 0.038 0.000 0.787 327 A N -0.716 122.147 122.820 0.071 0.000 1.969 327 A HA -0.153 4.242 4.320 0.126 0.000 0.218 327 A C 2.080 179.730 177.584 0.109 0.000 1.169 327 A CA 1.200 53.284 52.037 0.078 0.000 0.635 327 A CB -1.584 17.438 19.000 0.036 0.000 0.810 327 A HN 0.133 nan 8.150 nan 0.000 0.445 328 L N -0.242 121.041 121.223 0.101 0.000 2.056 328 L HA -0.018 4.398 4.340 0.126 0.000 0.207 328 L C 2.631 179.602 176.870 0.168 0.000 1.078 328 L CA 2.108 57.033 54.840 0.140 0.000 0.749 328 L CB -0.862 41.267 42.059 0.116 0.000 0.901 328 L HN 0.325 nan 8.230 nan 0.000 0.433 329 A N -1.798 121.112 122.820 0.149 0.000 1.930 329 A HA -0.169 4.227 4.320 0.126 0.000 0.217 329 A C 2.238 179.889 177.584 0.111 0.000 1.175 329 A CA 2.095 54.225 52.037 0.154 0.000 0.627 329 A CB -1.086 18.073 19.000 0.265 0.000 0.815 329 A HN 0.495 nan 8.150 nan 0.000 0.443 330 T N -1.536 113.154 114.554 0.226 0.000 2.746 330 T HA -0.154 4.271 4.350 0.126 0.000 0.267 330 T C 1.808 176.523 174.700 0.025 0.000 1.039 330 T CA 1.679 63.864 62.100 0.142 0.000 1.142 330 T CB -0.397 68.604 68.868 0.220 0.000 0.866 330 T HN 0.619 nan 8.240 nan 0.000 0.444 331 Y N 2.548 122.827 120.300 -0.034 0.000 2.200 331 Y HA -0.077 4.544 4.550 0.119 0.000 0.290 331 Y C 2.339 178.189 175.900 -0.085 0.000 1.137 331 Y CA 1.184 59.250 58.100 -0.056 0.000 1.163 331 Y CB -0.585 37.857 38.460 -0.029 0.000 0.988 331 Y HN 0.092 nan 8.280 nan 0.000 0.518 332 N N 0.628 119.221 118.700 -0.177 0.000 2.058 332 N HA -0.196 4.619 4.740 0.126 0.000 0.191 332 N C 1.823 177.143 175.510 -0.317 0.000 1.037 332 N CA 1.765 54.653 53.050 -0.270 0.000 0.848 332 N CB -0.702 37.730 38.487 -0.092 0.000 1.021 332 N HN 0.459 nan 8.380 nan 0.000 0.422 333 L N 1.186 122.194 121.223 -0.359 0.000 2.131 333 L HA -0.040 4.375 4.340 0.126 0.000 0.210 333 L C 2.261 178.916 176.870 -0.357 0.000 1.092 333 L CA 1.518 56.090 54.840 -0.447 0.000 0.759 333 L CB -0.452 41.106 42.059 -0.834 0.000 0.903 333 L HN 0.177 nan 8.230 nan 0.000 0.435 334 K N -0.759 119.451 120.400 -0.317 0.000 2.097 334 K HA -0.178 4.217 4.320 0.126 0.000 0.206 334 K C 1.822 178.270 176.600 -0.252 0.000 1.049 334 K CA 1.396 57.539 56.287 -0.241 0.000 0.933 334 K CB -0.015 32.378 32.500 -0.178 0.000 0.717 334 K HN 0.402 nan 8.250 nan 0.000 0.442 335 N N 0.737 119.241 118.700 -0.326 0.000 2.120 335 N HA -0.149 4.667 4.740 0.126 0.000 0.188 335 N C 1.898 177.274 175.510 -0.224 0.000 1.024 335 N CA 1.220 54.084 53.050 -0.310 0.000 0.852 335 N CB -0.707 37.555 38.487 -0.374 0.000 1.003 335 N HN 0.258 nan 8.380 nan 0.000 0.424 336 C N 1.247 120.420 119.300 -0.212 0.000 2.432 336 C HA -0.053 4.483 4.460 0.126 0.000 0.277 336 C C 2.540 177.448 174.990 -0.136 0.000 1.249 336 C CA 0.391 59.311 59.018 -0.165 0.000 1.725 336 C CB -0.931 26.696 27.740 -0.189 0.000 2.028 336 C HN 0.525 nan 8.230 nan 0.000 0.477 337 E N 0.576 120.686 120.200 -0.150 0.000 2.077 337 E HA -0.169 4.256 4.350 0.126 0.000 0.193 337 E C 2.096 178.647 176.600 -0.082 0.000 0.989 337 E CA 0.966 57.304 56.400 -0.103 0.000 0.800 337 E CB -0.243 29.384 29.700 -0.121 0.000 0.746 337 E HN 0.623 nan 8.360 nan 0.000 0.452 338 L N 0.557 121.701 121.223 -0.131 0.000 2.042 338 L HA -0.196 4.219 4.340 0.126 0.000 0.210 338 L C 2.447 179.246 176.870 -0.118 0.000 1.076 338 L CA 0.789 55.541 54.840 -0.147 0.000 0.749 338 L CB -0.302 41.622 42.059 -0.225 0.000 0.893 338 L HN 0.066 nan 8.230 nan 0.000 0.432 339 V N -0.338 119.517 119.914 -0.098 0.000 2.358 339 V HA -0.276 3.920 4.120 0.126 0.000 0.246 339 V C 2.926 179.077 176.094 0.094 0.000 1.047 339 V CA 2.368 64.685 62.300 0.028 0.000 1.035 339 V CB -1.379 30.467 31.823 0.039 0.000 0.658 339 V HN 0.634 nan 8.190 nan 0.000 0.452 340 T N -1.193 113.376 114.554 0.025 0.000 2.746 340 T HA -0.307 4.119 4.350 0.126 0.000 0.267 340 T C 1.857 176.704 174.700 0.246 0.000 1.039 340 T CA 1.942 64.120 62.100 0.129 0.000 1.142 340 T CB -0.350 68.605 68.868 0.144 0.000 0.866 340 T HN 0.459 nan 8.240 nan 0.000 0.444 341 Q N -0.039 119.858 119.800 0.161 0.000 2.050 341 Q HA 0.043 4.459 4.340 0.126 0.000 0.202 341 Q C 2.358 178.444 176.000 0.142 0.000 0.980 341 Q CA 1.168 57.068 55.803 0.161 0.000 0.840 341 Q CB -0.251 28.520 28.738 0.054 0.000 0.898 341 Q HN 0.688 nan 8.270 nan 0.000 0.424 342 I N -0.228 120.389 120.570 0.079 0.000 2.208 342 I HA -0.288 3.957 4.170 0.126 0.000 0.245 342 I C 1.748 177.878 176.117 0.022 0.000 1.097 342 I CA 1.132 62.433 61.300 0.002 0.000 1.363 342 I CB -0.143 37.838 38.000 -0.032 0.000 1.051 342 I HN 0.183 nan 8.210 nan 0.000 0.413 343 F N 0.261 120.162 119.950 -0.081 0.000 2.134 343 F HA -0.241 4.359 4.527 0.120 0.000 0.299 343 F C 2.678 178.453 175.800 -0.041 0.000 1.097 343 F CA 1.525 59.432 58.000 -0.154 0.000 1.264 343 F CB -0.662 38.129 39.000 -0.349 0.000 1.001 343 F HN 0.153 nan 8.300 nan 0.000 0.479 344 H N -0.431 118.855 119.070 0.361 0.000 2.363 344 H HA -0.087 4.545 4.556 0.127 0.000 0.301 344 H C 2.248 177.655 175.328 0.132 0.000 1.074 344 H CA 1.415 57.627 56.048 0.273 0.000 1.354 344 H CB -0.313 29.577 29.762 0.214 0.000 1.397 344 H HN 0.211 nan 8.280 nan 0.000 0.516 345 K N 0.613 121.117 120.400 0.174 0.000 2.097 345 K HA -0.105 4.291 4.320 0.126 0.000 0.205 345 K C 2.084 178.704 176.600 0.033 0.000 1.050 345 K CA 1.745 58.086 56.287 0.091 0.000 0.938 345 K CB 0.118 32.643 32.500 0.042 0.000 0.718 345 K HN 0.351 nan 8.250 nan 0.000 0.442 346 T N -1.877 112.578 114.554 -0.165 0.000 3.055 346 T HA 0.011 4.437 4.350 0.126 0.000 0.265 346 T C 0.149 174.865 174.700 0.026 0.000 1.111 346 T CA 0.547 62.435 62.100 -0.354 0.000 1.118 346 T CB -0.251 68.052 68.868 -0.942 0.000 0.909 346 T HN 0.360 nan 8.240 nan 0.000 0.501 347 E N -0.303 119.951 120.200 0.091 0.000 2.360 347 E HA -0.201 4.225 4.350 0.126 0.000 0.238 347 E C 0.502 177.196 176.600 0.156 0.000 1.186 347 E CA 0.270 56.784 56.400 0.189 0.000 0.719 347 E CB -1.520 28.318 29.700 0.231 0.000 1.236 347 E HN 0.500 nan 8.360 nan 0.000 0.386 348 I N -0.206 120.357 120.570 -0.012 0.000 2.315 348 I HA -0.246 4.000 4.170 0.126 0.000 0.248 348 I C 1.951 178.124 176.117 0.093 0.000 1.117 348 I CA 1.474 62.731 61.300 -0.071 0.000 1.404 348 I CB 0.022 37.743 38.000 -0.465 0.000 1.071 348 I HN 0.265 nan 8.210 nan 0.000 0.419 349 M N 0.409 120.067 119.600 0.097 0.000 2.117 349 M HA -0.058 4.497 4.480 0.126 0.000 0.262 349 M C -0.157 176.244 176.300 0.168 0.000 1.065 349 M CA 1.799 57.182 55.300 0.139 0.000 1.114 349 M CB -2.578 30.135 32.600 0.189 0.000 1.361 349 M HN 0.095 nan 8.290 nan 0.000 0.408 350 P HA -0.161 nan 4.420 nan 0.000 0.216 350 P C 1.712 179.111 177.300 0.165 0.000 1.150 350 P CA 1.117 64.307 63.100 0.150 0.000 0.837 350 P CB -0.364 31.440 31.700 0.173 0.000 0.786 351 F N 0.329 120.337 119.950 0.095 0.000 2.075 351 F HA -0.171 4.437 4.527 0.134 0.000 0.297 351 F C 1.924 177.782 175.800 0.097 0.000 1.113 351 F CA 1.487 59.552 58.000 0.107 0.000 1.218 351 F CB -0.902 38.176 39.000 0.130 0.000 0.984 351 F HN -0.276 nan 8.300 nan 0.000 0.472 352 L N 0.178 121.558 121.223 0.263 0.000 2.083 352 L HA -0.244 4.171 4.340 0.126 0.000 0.209 352 L C 2.488 179.378 176.870 0.033 0.000 1.083 352 L CA 1.025 55.945 54.840 0.134 0.000 0.752 352 L CB -0.779 41.412 42.059 0.221 0.000 0.899 352 L HN 0.304 nan 8.230 nan 0.000 0.433 353 L N -0.748 120.502 121.223 0.044 0.000 2.046 353 L HA -0.170 4.245 4.340 0.126 0.000 0.208 353 L C 2.746 179.683 176.870 0.111 0.000 1.077 353 L CA 1.044 55.927 54.840 0.071 0.000 0.747 353 L CB -0.566 41.424 42.059 -0.116 0.000 0.896 353 L HN 0.288 nan 8.230 nan 0.000 0.432 354 E N -0.028 120.166 120.200 -0.009 0.000 2.072 354 E HA -0.202 4.223 4.350 0.126 0.000 0.191 354 E C 2.194 178.745 176.600 -0.082 0.000 0.985 354 E CA 0.826 57.208 56.400 -0.029 0.000 0.801 354 E CB -0.264 29.392 29.700 -0.074 0.000 0.750 354 E HN 0.336 nan 8.360 nan 0.000 0.452 355 R N 0.560 120.920 120.500 -0.234 0.000 2.081 355 R HA -0.072 4.343 4.340 0.126 0.000 0.235 355 R C 2.163 178.439 176.300 -0.040 0.000 1.131 355 R CA 1.231 57.215 56.100 -0.192 0.000 0.960 355 R CB -0.149 29.959 30.300 -0.319 0.000 0.856 355 R HN 0.127 nan 8.270 nan 0.000 0.436 356 A N -0.020 122.809 122.820 0.015 0.000 1.877 356 A HA -0.140 4.255 4.320 0.126 0.000 0.216 356 A C 2.192 179.792 177.584 0.026 0.000 1.186 356 A CA 2.068 54.132 52.037 0.044 0.000 0.620 356 A CB -0.930 18.153 19.000 0.139 0.000 0.822 356 A HN 0.393 nan 8.150 nan 0.000 0.443 357 T N -0.476 114.125 114.554 0.078 0.000 2.759 357 T HA -0.118 4.307 4.350 0.126 0.000 0.269 357 T C 1.835 176.568 174.700 0.056 0.000 1.042 357 T CA 1.650 63.785 62.100 0.059 0.000 1.140 357 T CB -0.318 68.630 68.868 0.133 0.000 0.864 357 T HN 0.163 nan 8.240 nan 0.000 0.455 358 V N 3.132 123.079 119.914 0.054 0.000 2.346 358 V HA -0.074 4.122 4.120 0.126 0.000 0.244 358 V C 2.311 178.461 176.094 0.094 0.000 1.037 358 V CA 1.638 63.983 62.300 0.076 0.000 1.029 358 V CB -0.447 31.411 31.823 0.059 0.000 0.663 358 V HN 0.639 nan 8.190 nan 0.000 0.454 359 N N 0.458 119.195 118.700 0.062 0.000 2.336 359 N HA 0.099 4.915 4.740 0.126 0.000 0.189 359 N C 1.438 176.945 175.510 -0.006 0.000 1.113 359 N CA 1.036 54.134 53.050 0.080 0.000 0.858 359 N CB 0.566 39.102 38.487 0.082 0.000 0.970 359 N HN 0.468 nan 8.380 nan 0.000 0.471 360 G N 0.384 109.120 108.800 -0.107 0.000 2.155 360 G HA2 -0.254 3.781 3.960 0.126 0.000 0.257 360 G HA3 -0.254 3.781 3.960 0.126 0.000 0.257 360 G C -0.184 174.411 174.900 -0.509 0.000 0.983 360 G CA 0.714 45.548 45.100 -0.444 0.000 0.676 360 G HN 0.353 nan 8.290 nan 0.000 0.528 361 L N -0.155 120.942 121.223 -0.211 0.000 2.365 361 L HA 0.504 4.920 4.340 0.126 0.000 0.267 361 L C -1.825 174.987 176.870 -0.096 0.000 1.033 361 L CA -2.343 52.411 54.840 -0.143 0.000 0.802 361 L CB 0.912 42.934 42.059 -0.063 0.000 1.267 361 L HN -0.171 nan 8.230 nan 0.000 0.457 362 P HA 0.021 nan 4.420 nan 0.000 0.269 362 P C 0.873 178.161 177.300 -0.019 0.000 1.209 362 P CA -0.226 62.853 63.100 -0.034 0.000 0.776 362 P CB 0.728 32.396 31.700 -0.054 0.000 0.876 363 V N 1.784 121.726 119.914 0.046 0.000 2.380 363 V HA -0.246 3.949 4.120 0.126 0.000 0.251 363 V C 1.249 177.333 176.094 -0.017 0.000 1.063 363 V CA 2.477 64.819 62.300 0.069 0.000 1.055 363 V CB -1.244 30.667 31.823 0.146 0.000 0.657 363 V HN 0.655 nan 8.190 nan 0.000 0.455 364 D N -0.815 119.545 120.400 -0.065 0.000 2.325 364 D HA 0.082 4.798 4.640 0.126 0.000 0.225 364 D C 0.864 176.951 176.300 -0.356 0.000 1.096 364 D CA -0.155 53.743 54.000 -0.169 0.000 0.844 364 D CB -0.220 40.534 40.800 -0.078 0.000 0.925 364 D HN 0.267 nan 8.370 nan 0.000 0.513 365 R N 0.583 120.898 120.500 -0.308 0.000 2.295 365 R HA 0.375 4.791 4.340 0.126 0.000 0.324 365 R C -1.228 174.908 176.300 -0.275 0.000 0.968 365 R CA -0.553 55.376 56.100 -0.284 0.000 0.837 365 R CB 0.193 30.402 30.300 -0.151 0.000 1.133 365 R HN 0.124 nan 8.270 nan 0.000 0.450 366 H N 1.946 121.037 119.070 0.035 0.000 2.502 366 H HA 0.569 5.204 4.556 0.131 0.000 0.338 366 H C 1.052 176.409 175.328 0.049 0.000 1.155 366 H CA -0.090 55.982 56.048 0.041 0.000 1.237 366 H CB 1.822 31.600 29.762 0.027 0.000 1.534 366 H HN 0.861 nan 8.280 nan 0.000 0.523 367 G N 0.881 109.796 108.800 0.191 0.000 2.561 367 G HA2 -0.202 3.833 3.960 0.126 0.000 0.289 367 G HA3 -0.202 3.833 3.960 0.126 0.000 0.289 367 G C 0.972 175.943 174.900 0.118 0.000 1.169 367 G CA 0.189 45.372 45.100 0.139 0.000 0.980 367 G HN 1.697 nan 8.290 nan 0.000 0.550 368 G N -1.670 107.193 108.800 0.107 0.000 2.295 368 G HA2 0.022 4.058 3.960 0.126 0.000 0.287 368 G HA3 0.022 4.058 3.960 0.126 0.000 0.287 368 G C 1.251 176.232 174.900 0.135 0.000 1.055 368 G CA 1.394 46.552 45.100 0.097 0.000 0.922 368 G HN 1.835 nan 8.290 nan 0.000 0.503 369 S N -1.190 114.600 115.700 0.151 0.000 2.370 369 S HA -0.151 4.395 4.470 0.126 0.000 0.226 369 S C 2.582 177.343 174.600 0.268 0.000 1.033 369 S CA 1.459 59.784 58.200 0.207 0.000 1.011 369 S CB -0.081 63.224 63.200 0.176 0.000 0.852 369 S HN 0.550 nan 8.310 nan 0.000 0.457 370 V N 2.018 122.049 119.914 0.195 0.000 2.261 370 V HA -0.217 3.979 4.120 0.126 0.000 0.246 370 V C 2.687 178.932 176.094 0.252 0.000 1.047 370 V CA 1.805 64.222 62.300 0.195 0.000 1.015 370 V CB -1.247 30.643 31.823 0.111 0.000 0.642 370 V HN 0.558 nan 8.190 nan 0.000 0.446 371 A N -0.183 122.748 122.820 0.185 0.000 1.933 371 A HA -0.076 4.319 4.320 0.126 0.000 0.218 371 A C 2.408 180.127 177.584 0.224 0.000 1.175 371 A CA 2.015 54.151 52.037 0.164 0.000 0.628 371 A CB -0.751 18.304 19.000 0.093 0.000 0.814 371 A HN 0.572 nan 8.150 nan 0.000 0.444 372 A N -1.153 121.815 122.820 0.246 0.000 1.902 372 A HA -0.063 4.332 4.320 0.126 0.000 0.217 372 A C 2.069 179.875 177.584 0.371 0.000 1.181 372 A CA 1.533 53.736 52.037 0.277 0.000 0.623 372 A CB -0.755 18.410 19.000 0.275 0.000 0.818 372 A HN 0.660 nan 8.150 nan 0.000 0.443 373 F N 1.060 121.183 119.950 0.288 0.000 2.126 373 F HA -0.091 4.511 4.527 0.125 0.000 0.299 373 F C 2.329 178.262 175.800 0.221 0.000 1.096 373 F CA 1.686 59.802 58.000 0.193 0.000 1.255 373 F CB -0.487 38.617 39.000 0.173 0.000 0.997 373 F HN 0.231 nan 8.300 nan 0.000 0.479 374 G N -1.011 108.127 108.800 0.564 0.000 2.418 374 G HA2 -0.303 3.733 3.960 0.126 0.000 0.217 374 G HA3 -0.303 3.733 3.960 0.126 0.000 0.217 374 G C 1.740 176.775 174.900 0.225 0.000 1.158 374 G CA 0.983 46.394 45.100 0.518 0.000 0.771 374 G HN 0.488 nan 8.290 nan 0.000 0.545 375 H N 0.579 119.682 119.070 0.054 0.000 2.353 375 H HA 0.045 4.677 4.556 0.127 0.000 0.300 375 H C 2.564 177.907 175.328 0.025 0.000 1.090 375 H CA 1.377 57.418 56.048 -0.011 0.000 1.327 375 H CB -0.021 29.749 29.762 0.013 0.000 1.383 375 H HN 0.280 nan 8.280 nan 0.000 0.508 376 L N -0.925 120.394 121.223 0.160 0.000 2.131 376 L HA -0.160 4.255 4.340 0.126 0.000 0.206 376 L C 2.423 179.259 176.870 -0.057 0.000 1.087 376 L CA 0.755 55.629 54.840 0.056 0.000 0.767 376 L CB -0.582 41.491 42.059 0.023 0.000 0.917 376 L HN 0.202 nan 8.230 nan 0.000 0.441 377 Y N -0.119 120.034 120.300 -0.246 0.000 2.286 377 Y HA -0.174 4.452 4.550 0.126 0.000 0.293 377 Y C 2.361 178.205 175.900 -0.093 0.000 1.124 377 Y CA 1.057 58.975 58.100 -0.303 0.000 1.178 377 Y CB -0.116 38.003 38.460 -0.569 0.000 1.010 377 Y HN -0.076 nan 8.280 nan 0.000 0.536 378 F N 1.208 121.083 119.950 -0.125 0.000 2.043 378 F HA -0.238 4.365 4.527 0.127 0.000 0.297 378 F C -0.205 175.321 175.800 -0.457 0.000 1.121 378 F CA 1.944 59.777 58.000 -0.278 0.000 1.199 378 F CB -2.091 36.832 39.000 -0.128 0.000 0.968 378 F HN 0.097 nan 8.300 nan 0.000 0.478 379 P HA -0.175 nan 4.420 nan 0.000 0.217 379 P C 1.407 178.564 177.300 -0.238 0.000 1.150 379 P CA 1.846 64.768 63.100 -0.296 0.000 0.832 379 P CB -0.140 31.043 31.700 -0.861 0.000 0.787 380 R N -0.744 119.614 120.500 -0.237 0.000 2.075 380 R HA -0.003 4.413 4.340 0.126 0.000 0.232 380 R C 2.753 178.896 176.300 -0.262 0.000 1.126 380 R CA 1.381 57.379 56.100 -0.171 0.000 0.963 380 R CB -0.915 29.248 30.300 -0.228 0.000 0.858 380 R HN 0.189 nan 8.270 nan 0.000 0.435 381 M N 0.042 119.367 119.600 -0.458 0.000 2.108 381 M HA -0.221 4.334 4.480 0.126 0.000 0.261 381 M C 1.516 177.735 176.300 -0.135 0.000 1.066 381 M CA 1.942 57.025 55.300 -0.361 0.000 1.107 381 M CB -0.168 32.187 32.600 -0.409 0.000 1.356 381 M HN 0.288 nan 8.290 nan 0.000 0.406 382 H N -0.690 118.319 119.070 -0.102 0.000 2.353 382 H HA -0.106 4.525 4.556 0.126 0.000 0.300 382 H C 1.999 177.291 175.328 -0.059 0.000 1.090 382 H CA 1.459 57.457 56.048 -0.083 0.000 1.327 382 H CB 0.017 29.732 29.762 -0.078 0.000 1.383 382 H HN 0.317 nan 8.280 nan 0.000 0.508 383 R N 0.466 121.005 120.500 0.066 0.000 2.189 383 R HA 0.008 4.424 4.340 0.126 0.000 0.223 383 R C 2.075 178.385 176.300 0.017 0.000 1.092 383 R CA 0.847 56.972 56.100 0.042 0.000 0.989 383 R CB 0.031 30.365 30.300 0.057 0.000 0.876 383 R HN 0.289 nan 8.270 nan 0.000 0.457 384 A N -0.734 122.098 122.820 0.020 0.000 2.238 384 A HA 0.294 4.690 4.320 0.126 0.000 0.208 384 A C 1.302 178.927 177.584 0.069 0.000 1.177 384 A CA 0.710 52.777 52.037 0.049 0.000 0.804 384 A CB -0.218 18.819 19.000 0.062 0.000 0.823 384 A HN 0.371 nan 8.150 nan 0.000 0.482 385 G N -2.639 106.158 108.800 -0.004 0.000 2.131 385 G HA2 -0.241 3.795 3.960 0.126 0.000 0.223 385 G HA3 -0.241 3.795 3.960 0.126 0.000 0.223 385 G C -0.196 174.501 174.900 -0.338 0.000 0.990 385 G CA 0.286 45.278 45.100 -0.179 0.000 0.671 385 G HN 0.461 nan 8.290 nan 0.000 0.521 386 Y N -1.040 119.250 120.300 -0.017 0.000 2.570 386 Y HA 0.635 5.261 4.550 0.126 0.000 0.345 386 Y C 0.533 176.444 175.900 0.019 0.000 1.014 386 Y CA -0.711 57.398 58.100 0.015 0.000 1.063 386 Y CB 2.283 40.797 38.460 0.089 0.000 1.272 386 Y HN 0.524 nan 8.280 nan 0.000 0.477 387 V N -0.289 119.694 119.914 0.116 0.000 2.667 387 V HA 0.942 5.138 4.120 0.126 0.000 0.308 387 V C 0.097 176.106 176.094 -0.142 0.000 1.048 387 V CA -1.304 60.940 62.300 -0.093 0.000 0.928 387 V CB 1.092 32.692 31.823 -0.371 0.000 1.004 387 V HN 0.923 nan 8.190 nan 0.000 0.444 388 A N 5.016 127.668 122.820 -0.279 0.000 2.445 388 A HA 0.676 5.072 4.320 0.126 0.000 0.242 388 A C -1.964 175.316 177.584 -0.506 0.000 1.075 388 A CA -1.053 50.719 52.037 -0.441 0.000 0.777 388 A CB -0.385 18.359 19.000 -0.427 0.000 1.013 388 A HN 0.860 nan 8.150 nan 0.000 0.493 389 P HA 0.212 nan 4.420 nan 0.000 0.278 389 P C -0.610 176.592 177.300 -0.164 0.000 1.266 389 P CA -0.625 62.220 63.100 -0.425 0.000 0.807 389 P CB 0.736 32.114 31.700 -0.536 0.000 1.094 390 N N -0.396 118.347 118.700 0.071 0.000 2.448 390 N HA 0.338 5.154 4.740 0.126 0.000 0.274 390 N C 0.178 175.682 175.510 -0.011 0.000 1.239 390 N CA -0.654 52.431 53.050 0.057 0.000 0.982 390 N CB 0.103 38.657 38.487 0.112 0.000 1.199 390 N HN 0.327 nan 8.380 nan 0.000 0.576 391 L N -0.070 121.148 121.223 -0.007 0.000 2.452 391 L HA 0.206 4.622 4.340 0.126 0.000 0.267 391 L C 1.500 178.386 176.870 0.027 0.000 1.188 391 L CA 0.230 55.064 54.840 -0.009 0.000 0.821 391 L CB 0.349 42.398 42.059 -0.016 0.000 1.102 391 L HN 0.859 nan 8.230 nan 0.000 0.470 392 G N 0.790 109.613 108.800 0.039 0.000 2.162 392 G HA2 -0.256 3.779 3.960 0.126 0.000 0.260 392 G HA3 -0.256 3.779 3.960 0.126 0.000 0.260 392 G C 0.741 175.707 174.900 0.110 0.000 0.976 392 G CA 0.461 45.597 45.100 0.060 0.000 0.655 392 G HN 0.779 nan 8.290 nan 0.000 0.533 393 E N -0.909 119.376 120.200 0.142 0.000 2.216 393 E HA 0.134 4.560 4.350 0.126 0.000 0.192 393 E C 0.716 177.435 176.600 0.199 0.000 0.988 393 E CA 1.007 57.519 56.400 0.188 0.000 0.834 393 E CB 0.363 30.194 29.700 0.217 0.000 0.772 393 E HN 0.415 nan 8.360 nan 0.000 0.479 394 V N 2.702 122.752 119.914 0.226 0.000 2.495 394 V HA 0.231 4.426 4.120 0.126 0.000 0.298 394 V C -2.365 173.920 176.094 0.317 0.000 1.031 394 V CA -2.115 60.315 62.300 0.216 0.000 0.871 394 V CB 1.546 33.438 31.823 0.114 0.000 0.988 394 V HN -0.039 nan 8.190 nan 0.000 0.432 395 P HA 0.223 nan 4.420 nan 0.000 0.268 395 P C -2.643 174.877 177.300 0.367 0.000 1.205 395 P CA -0.936 62.302 63.100 0.231 0.000 0.771 395 P CB -0.171 31.620 31.700 0.152 0.000 0.858 396 P HA 0.112 nan 4.420 nan 0.000 0.271 396 P C -0.666 176.850 177.300 0.360 0.000 1.216 396 P CA 0.700 63.983 63.100 0.305 0.000 0.771 396 P CB 0.434 32.171 31.700 0.061 0.000 0.864 397 H N 0.970 120.228 119.070 0.312 0.000 3.123 397 H HA 0.462 5.094 4.556 0.126 0.000 0.346 397 H C -1.088 174.354 175.328 0.190 0.000 1.138 397 H CA -0.697 55.459 56.048 0.181 0.000 1.273 397 H CB 1.988 31.827 29.762 0.128 0.000 1.926 397 H HN 0.467 nan 8.280 nan 0.000 0.524 398 A N 2.963 125.641 122.820 -0.236 0.000 2.386 398 A HA 0.474 4.870 4.320 0.126 0.000 0.248 398 A C -0.169 177.453 177.584 0.064 0.000 1.082 398 A CA -0.103 51.900 52.037 -0.056 0.000 0.789 398 A CB 0.440 19.368 19.000 -0.121 0.000 1.025 398 A HN 0.536 nan 8.150 nan 0.000 0.490 399 S N 1.688 117.446 115.700 0.098 0.000 2.532 399 S HA 0.705 5.250 4.470 0.126 0.000 0.301 399 S C -2.352 172.303 174.600 0.092 0.000 1.083 399 S CA -0.825 57.435 58.200 0.100 0.000 1.025 399 S CB 1.298 64.556 63.200 0.098 0.000 1.056 399 S HN 0.773 nan 8.310 nan 0.000 0.494 400 P HA 0.391 nan 4.420 nan 0.000 0.276 400 P C 0.274 177.666 177.300 0.154 0.000 1.252 400 P CA -0.369 62.804 63.100 0.122 0.000 0.802 400 P CB 0.305 32.108 31.700 0.171 0.000 1.035 401 G N -0.318 108.603 108.800 0.201 0.000 2.574 401 G HA2 0.505 4.541 3.960 0.126 0.000 0.248 401 G HA3 0.505 4.541 3.960 0.126 0.000 0.248 401 G C 0.100 175.213 174.900 0.356 0.000 1.422 401 G CA -0.472 44.775 45.100 0.244 0.000 1.051 401 G HN 0.652 nan 8.290 nan 0.000 0.560 402 G N -1.772 107.214 108.800 0.311 0.000 2.594 402 G HA2 0.381 4.417 3.960 0.126 0.000 0.243 402 G HA3 0.381 4.417 3.960 0.126 0.000 0.243 402 G C -0.477 174.575 174.900 0.254 0.000 1.229 402 G CA -0.353 44.950 45.100 0.338 0.000 0.843 402 G HN 0.634 nan 8.290 nan 0.000 0.578 403 Y N 1.266 121.643 120.300 0.128 0.000 2.511 403 Y HA 0.425 5.050 4.550 0.125 0.000 0.332 403 Y C -0.250 175.625 175.900 -0.042 0.000 1.177 403 Y CA -0.183 57.867 58.100 -0.084 0.000 1.422 403 Y CB 0.717 39.192 38.460 0.025 0.000 1.271 403 Y HN 0.317 nan 8.280 nan 0.000 0.550 404 V N 7.338 126.843 119.914 -0.682 0.000 3.007 404 V HA 0.442 4.638 4.120 0.126 0.000 0.311 404 V C -0.400 175.266 176.094 -0.713 0.000 1.120 404 V CA -1.115 60.888 62.300 -0.495 0.000 0.980 404 V CB 1.871 33.619 31.823 -0.126 0.000 1.033 404 V HN 0.933 nan 8.190 nan 0.000 0.429 405 M N 0.163 119.575 119.600 -0.313 0.000 2.591 405 M HA 0.751 5.306 4.480 0.126 0.000 0.306 405 M C -1.277 175.061 176.300 0.064 0.000 1.190 405 M CA -0.696 54.525 55.300 -0.131 0.000 0.889 405 M CB 1.937 34.562 32.600 0.042 0.000 1.728 405 M HN 0.404 nan 8.290 nan 0.000 0.458 406 D N 2.895 123.326 120.400 0.052 0.000 2.425 406 D HA 0.207 4.923 4.640 0.126 0.000 0.247 406 D C -0.049 176.333 176.300 0.135 0.000 1.147 406 D CA 0.417 54.465 54.000 0.079 0.000 0.879 406 D CB 1.116 41.944 40.800 0.047 0.000 1.179 406 D HN 0.750 nan 8.370 nan 0.000 0.456 407 S N 2.353 118.125 115.700 0.119 0.000 2.610 407 S HA 0.444 4.990 4.470 0.126 0.000 0.273 407 S C 0.175 174.813 174.600 0.064 0.000 1.274 407 S CA -0.962 57.297 58.200 0.097 0.000 1.023 407 S CB 1.395 64.498 63.200 -0.162 0.000 0.962 407 S HN 0.287 nan 8.310 nan 0.000 0.523 408 R N 2.118 122.675 120.500 0.095 0.000 2.198 408 R HA 0.395 4.810 4.340 0.126 0.000 0.339 408 R C -2.479 173.903 176.300 0.136 0.000 1.020 408 R CA -1.862 54.308 56.100 0.117 0.000 0.864 408 R CB 0.307 30.705 30.300 0.164 0.000 1.105 408 R HN 0.536 nan 8.270 nan 0.000 0.463 409 P HA 0.208 nan 4.420 nan 0.000 0.272 409 P C 0.126 177.539 177.300 0.189 0.000 1.230 409 P CA 0.024 63.220 63.100 0.160 0.000 0.788 409 P CB 1.085 32.911 31.700 0.209 0.000 0.949 410 G N -0.193 108.653 108.800 0.077 0.000 2.347 410 G HA2 0.252 4.287 3.960 0.126 0.000 0.321 410 G HA3 0.252 4.287 3.960 0.126 0.000 0.321 410 G C -2.365 172.108 174.900 -0.711 0.000 1.412 410 G CA -0.805 44.142 45.100 -0.255 0.000 0.990 410 G HN 0.594 nan 8.290 nan 0.000 0.637 411 L N 0.729 121.562 121.223 -0.649 0.000 2.282 411 L HA 0.876 5.292 4.340 0.126 0.000 0.288 411 L C -0.960 175.669 176.870 -0.402 0.000 1.033 411 L CA -1.168 53.413 54.840 -0.433 0.000 0.807 411 L CB 0.434 42.317 42.059 -0.293 0.000 1.209 411 L HN 0.574 nan 8.230 nan 0.000 0.423 412 Y N 2.060 122.298 120.300 -0.102 0.000 2.602 412 Y HA 0.582 5.208 4.550 0.126 0.000 0.342 412 Y C -0.444 175.535 175.900 0.131 0.000 1.029 412 Y CA -1.015 57.067 58.100 -0.031 0.000 1.080 412 Y CB 1.712 40.099 38.460 -0.121 0.000 1.284 412 Y HN 0.468 nan 8.280 nan 0.000 0.485 413 D N 0.071 120.738 120.400 0.446 0.000 2.248 413 D HA 0.352 5.067 4.640 0.126 0.000 0.246 413 D C -0.884 175.706 176.300 0.484 0.000 1.027 413 D CA -0.347 53.878 54.000 0.375 0.000 0.853 413 D CB 1.756 42.751 40.800 0.325 0.000 1.243 413 D HN 0.570 nan 8.370 nan 0.000 0.462 414 S N -0.083 115.866 115.700 0.415 0.000 3.488 414 S HA -0.092 4.454 4.470 0.126 0.000 0.492 414 S C -0.439 174.401 174.600 0.401 0.000 0.779 414 S CA -0.090 58.396 58.200 0.477 0.000 1.378 414 S CB -0.683 62.763 63.200 0.411 0.000 0.924 414 S HN 0.323 nan 8.310 nan 0.000 0.719 415 V N 4.771 124.860 119.914 0.291 0.000 2.540 415 V HA 0.585 4.781 4.120 0.126 0.000 0.302 415 V C 0.286 176.405 176.094 0.042 0.000 1.035 415 V CA -0.754 61.594 62.300 0.080 0.000 0.873 415 V CB 1.968 33.626 31.823 -0.273 0.000 0.992 415 V HN 0.611 nan 8.190 nan 0.000 0.428 416 L N 4.317 125.508 121.223 -0.053 0.000 2.334 416 L HA 0.747 5.163 4.340 0.126 0.000 0.272 416 L C -0.827 175.903 176.870 -0.233 0.000 1.020 416 L CA -0.990 53.803 54.840 -0.079 0.000 0.812 416 L CB 2.150 44.157 42.059 -0.086 0.000 1.264 416 L HN 0.343 nan 8.230 nan 0.000 0.439 417 V N 3.414 123.148 119.914 -0.299 0.000 2.444 417 V HA 0.448 4.644 4.120 0.126 0.000 0.294 417 V C -0.251 175.631 176.094 -0.353 0.000 1.022 417 V CA -0.468 61.512 62.300 -0.534 0.000 0.850 417 V CB 1.708 33.146 31.823 -0.643 0.000 0.992 417 V HN 0.474 nan 8.190 nan 0.000 0.426 418 L N 4.260 125.275 121.223 -0.346 0.000 2.305 418 L HA 0.662 5.078 4.340 0.126 0.000 0.284 418 L C -0.610 176.078 176.870 -0.303 0.000 1.013 418 L CA -0.261 54.425 54.840 -0.255 0.000 0.819 418 L CB 1.799 43.726 42.059 -0.221 0.000 1.227 418 L HN 0.587 nan 8.230 nan 0.000 0.417 419 D N 2.352 122.595 120.400 -0.261 0.000 2.502 419 D HA 0.219 4.934 4.640 0.126 0.000 0.249 419 D C -1.137 175.071 176.300 -0.154 0.000 1.092 419 D CA -0.485 53.400 54.000 -0.192 0.000 0.839 419 D CB 1.482 42.182 40.800 -0.168 0.000 1.264 419 D HN 0.233 nan 8.370 nan 0.000 0.511 420 Y N 2.308 122.567 120.300 -0.069 0.000 2.465 420 Y HA 0.064 4.689 4.550 0.125 0.000 0.331 420 Y C 1.237 177.099 175.900 -0.064 0.000 1.102 420 Y CA 0.124 58.200 58.100 -0.040 0.000 1.358 420 Y CB 0.753 39.190 38.460 -0.039 0.000 1.213 420 Y HN 0.168 nan 8.280 nan 0.000 0.525 421 K N 2.370 122.839 120.400 0.115 0.000 2.379 421 K HA 0.045 4.441 4.320 0.126 0.000 0.284 421 K C 0.360 176.916 176.600 -0.072 0.000 1.044 421 K CA 0.249 56.529 56.287 -0.012 0.000 0.974 421 K CB 0.255 32.764 32.500 0.015 0.000 0.962 421 K HN 0.820 nan 8.250 nan 0.000 0.474 422 S N 3.109 118.670 115.700 -0.232 0.000 3.447 422 S HA -0.163 4.383 4.470 0.126 0.000 0.371 422 S C 0.799 175.370 174.600 -0.048 0.000 0.951 422 S CA 0.328 58.362 58.200 -0.277 0.000 1.269 422 S CB -1.005 61.748 63.200 -0.746 0.000 0.919 422 S HN 0.707 nan 8.310 nan 0.000 0.516 423 L N 1.582 122.773 121.223 -0.052 0.000 1.989 423 L HA -0.103 4.313 4.340 0.126 0.000 0.211 423 L C 1.939 178.875 176.870 0.110 0.000 1.071 423 L CA 2.084 56.923 54.840 -0.002 0.000 0.749 423 L CB -0.517 41.489 42.059 -0.089 0.000 0.890 423 L HN 0.621 nan 8.230 nan 0.000 0.431 424 Y N -0.229 120.012 120.300 -0.097 0.000 2.181 424 Y HA -0.066 4.560 4.550 0.126 0.000 0.288 424 Y C -0.108 175.799 175.900 0.010 0.000 1.146 424 Y CA 0.493 58.520 58.100 -0.121 0.000 1.164 424 Y CB -2.514 35.797 38.460 -0.248 0.000 0.982 424 Y HN 0.296 nan 8.280 nan 0.000 0.515 425 P HA -0.140 nan 4.420 nan 0.000 0.216 425 P C 2.032 179.520 177.300 0.313 0.000 1.153 425 P CA 2.585 65.855 63.100 0.284 0.000 0.848 425 P CB -0.139 31.727 31.700 0.278 0.000 0.787 426 S N -0.953 114.968 115.700 0.367 0.000 2.382 426 S HA -0.141 4.405 4.470 0.126 0.000 0.228 426 S C 1.983 176.657 174.600 0.122 0.000 1.027 426 S CA 1.098 59.474 58.200 0.293 0.000 0.991 426 S CB -1.575 61.820 63.200 0.325 0.000 0.823 426 S HN 0.035 nan 8.310 nan 0.000 0.469 427 I N 1.048 121.689 120.570 0.118 0.000 2.252 427 I HA -0.087 4.159 4.170 0.126 0.000 0.245 427 I C 2.388 178.582 176.117 0.127 0.000 1.102 427 I CA 1.175 62.556 61.300 0.135 0.000 1.385 427 I CB -0.351 37.626 38.000 -0.038 0.000 1.064 427 I HN 0.290 nan 8.210 nan 0.000 0.414 428 I N 0.462 121.072 120.570 0.067 0.000 2.208 428 I HA -0.305 3.941 4.170 0.126 0.000 0.245 428 I C 2.716 178.816 176.117 -0.028 0.000 1.097 428 I CA 1.465 62.774 61.300 0.014 0.000 1.363 428 I CB -0.322 37.730 38.000 0.087 0.000 1.051 428 I HN 0.146 nan 8.210 nan 0.000 0.413 429 R N -0.223 120.272 120.500 -0.008 0.000 2.066 429 R HA -0.106 4.310 4.340 0.126 0.000 0.232 429 R C 2.312 178.513 176.300 -0.166 0.000 1.131 429 R CA 1.953 57.994 56.100 -0.098 0.000 0.955 429 R CB -0.582 29.644 30.300 -0.123 0.000 0.851 429 R HN 0.309 nan 8.270 nan 0.000 0.432 430 T N 0.180 114.639 114.554 -0.159 0.000 2.857 430 T HA -0.046 4.379 4.350 0.126 0.000 0.266 430 T C 1.027 175.393 174.700 -0.557 0.000 1.048 430 T CA 1.155 63.038 62.100 -0.362 0.000 1.139 430 T CB -0.058 68.546 68.868 -0.439 0.000 0.874 430 T HN 0.115 nan 8.240 nan 0.000 0.455 431 F N 0.629 120.477 119.950 -0.169 0.000 2.664 431 F HA 0.453 5.056 4.527 0.126 0.000 0.303 431 F C 0.465 176.118 175.800 -0.244 0.000 1.092 431 F CA -0.424 57.475 58.000 -0.168 0.000 1.305 431 F CB -0.420 38.484 39.000 -0.159 0.000 1.054 431 F HN -0.103 nan 8.300 nan 0.000 0.565 432 L N 0.921 122.035 121.223 -0.183 0.000 3.660 432 L HA -0.241 4.174 4.340 0.126 0.000 0.440 432 L C -0.638 175.972 176.870 -0.434 0.000 1.262 432 L CA -0.233 54.422 54.840 -0.308 0.000 0.837 432 L CB -1.996 39.901 42.059 -0.271 0.000 1.689 432 L HN 0.010 nan 8.230 nan 0.000 0.890 433 I N 1.018 121.278 120.570 -0.516 0.000 2.517 433 I HA 0.267 4.513 4.170 0.126 0.000 0.285 433 I C 0.457 176.372 176.117 -0.337 0.000 1.106 433 I CA 0.707 61.513 61.300 -0.825 0.000 1.402 433 I CB 0.741 38.453 38.000 -0.480 0.000 1.399 433 I HN 0.248 nan 8.210 nan 0.000 0.535 434 D N 7.337 127.643 120.400 -0.158 0.000 2.769 434 D HA 0.360 5.076 4.640 0.126 0.000 0.219 434 D C -2.325 174.104 176.300 0.215 0.000 1.245 434 D CA -1.079 52.983 54.000 0.104 0.000 0.801 434 D CB 2.588 43.481 40.800 0.155 0.000 1.598 434 D HN 0.041 nan 8.370 nan 0.000 0.485 435 P HA -0.105 nan 4.420 nan 0.000 0.215 435 P C 1.410 178.741 177.300 0.052 0.000 1.157 435 P CA 0.541 63.752 63.100 0.184 0.000 0.863 435 P CB 0.291 32.054 31.700 0.105 0.000 0.787 436 V N -0.076 119.876 119.914 0.064 0.000 2.358 436 V HA -0.138 4.057 4.120 0.126 0.000 0.246 436 V C 2.561 178.530 176.094 -0.207 0.000 1.047 436 V CA 2.480 64.595 62.300 -0.308 0.000 1.035 436 V CB -1.815 29.905 31.823 -0.172 0.000 0.658 436 V HN 0.177 nan 8.190 nan 0.000 0.452 437 G N -0.230 108.607 108.800 0.061 0.000 2.450 437 G HA2 -0.263 3.773 3.960 0.126 0.000 0.220 437 G HA3 -0.263 3.773 3.960 0.126 0.000 0.220 437 G C 1.564 176.552 174.900 0.147 0.000 1.130 437 G CA 1.165 46.370 45.100 0.175 0.000 0.760 437 G HN 0.448 nan 8.290 nan 0.000 0.557 438 L N 0.836 122.145 121.223 0.143 0.000 2.056 438 L HA 0.035 4.451 4.340 0.126 0.000 0.207 438 L C 2.908 179.678 176.870 -0.166 0.000 1.078 438 L CA 1.364 56.165 54.840 -0.066 0.000 0.749 438 L CB -0.582 41.466 42.059 -0.017 0.000 0.901 438 L HN 0.079 nan 8.230 nan 0.000 0.433 439 V N -0.102 119.642 119.914 -0.283 0.000 2.287 439 V HA -0.254 3.942 4.120 0.126 0.000 0.248 439 V C 2.688 178.663 176.094 -0.198 0.000 1.053 439 V CA 1.943 64.036 62.300 -0.346 0.000 1.027 439 V CB -0.741 30.645 31.823 -0.728 0.000 0.646 439 V HN 0.455 nan 8.190 nan 0.000 0.447 440 E N 0.502 120.600 120.200 -0.170 0.000 2.077 440 E HA -0.151 4.275 4.350 0.126 0.000 0.193 440 E C 2.347 178.929 176.600 -0.030 0.000 0.989 440 E CA 1.466 57.837 56.400 -0.047 0.000 0.800 440 E CB -0.675 29.026 29.700 0.002 0.000 0.746 440 E HN 0.625 nan 8.360 nan 0.000 0.452 441 G N 1.248 110.043 108.800 -0.009 0.000 2.421 441 G HA2 -0.245 3.790 3.960 0.126 0.000 0.216 441 G HA3 -0.245 3.790 3.960 0.126 0.000 0.216 441 G C 1.523 176.411 174.900 -0.020 0.000 1.171 441 G CA 0.965 46.087 45.100 0.036 0.000 0.775 441 G HN 0.125 nan 8.290 nan 0.000 0.543 442 M N 1.307 120.878 119.600 -0.049 0.000 2.213 442 M HA 0.052 4.608 4.480 0.126 0.000 0.263 442 M C 2.923 179.162 176.300 -0.102 0.000 1.062 442 M CA 1.007 56.274 55.300 -0.056 0.000 1.105 442 M CB -1.351 31.211 32.600 -0.062 0.000 1.385 442 M HN 0.323 nan 8.290 nan 0.000 0.417 443 A N -0.324 122.438 122.820 -0.096 0.000 1.930 443 A HA -0.111 4.284 4.320 0.126 0.000 0.217 443 A C 1.325 178.814 177.584 -0.158 0.000 1.175 443 A CA 1.114 53.090 52.037 -0.101 0.000 0.627 443 A CB -0.246 18.712 19.000 -0.069 0.000 0.815 443 A HN 0.621 nan 8.150 nan 0.000 0.443 444 Q N -0.091 119.595 119.800 -0.190 0.000 2.907 444 Q HA 0.199 4.614 4.340 0.126 0.000 0.262 444 Q C -2.634 173.138 176.000 -0.379 0.000 0.997 444 Q CA -1.841 53.800 55.803 -0.271 0.000 0.797 444 Q CB 1.520 30.092 28.738 -0.276 0.000 1.228 444 Q HN 0.355 nan 8.270 nan 0.000 0.466 445 P HA -0.023 nan 4.420 nan 0.000 0.226 445 P C -1.129 175.214 177.300 -1.594 0.000 1.783 445 P CA 0.439 62.743 63.100 -1.327 0.000 0.980 445 P CB -0.101 31.000 31.700 -0.999 0.000 1.967 446 D N 0.978 120.711 120.400 -1.111 0.000 2.581 446 D HA 0.238 4.953 4.640 0.126 0.000 0.232 446 D C -2.405 173.673 176.300 -0.371 0.000 1.143 446 D CA -2.155 51.408 54.000 -0.729 0.000 0.881 446 D CB 2.126 42.769 40.800 -0.261 0.000 1.500 446 D HN -0.165 nan 8.370 nan 0.000 0.458 447 P HA -0.216 nan 4.420 nan 0.000 0.216 447 P C 1.257 178.581 177.300 0.040 0.000 1.150 447 P CA 1.629 64.812 63.100 0.139 0.000 0.843 447 P CB 0.336 32.121 31.700 0.141 0.000 0.787 448 E N 0.030 120.189 120.200 -0.068 0.000 2.047 448 E HA -0.221 4.205 4.350 0.126 0.000 0.191 448 E C 1.815 178.249 176.600 -0.276 0.000 0.987 448 E CA 1.396 57.671 56.400 -0.207 0.000 0.799 448 E CB -0.909 28.570 29.700 -0.369 0.000 0.752 448 E HN 0.308 nan 8.360 nan 0.000 0.449 449 H N -0.813 118.236 119.070 -0.035 0.000 2.470 449 H HA 0.320 4.952 4.556 0.126 0.000 0.289 449 H C 0.159 175.509 175.328 0.037 0.000 1.033 449 H CA 0.836 56.871 56.048 -0.022 0.000 1.331 449 H CB 0.476 30.196 29.762 -0.070 0.000 1.414 449 H HN -0.019 nan 8.280 nan 0.000 0.545 450 S N -1.445 114.357 115.700 0.169 0.000 2.685 450 S HA 0.446 4.991 4.470 0.126 0.000 0.282 450 S C -0.608 174.256 174.600 0.439 0.000 1.159 450 S CA -0.916 57.464 58.200 0.300 0.000 0.833 450 S CB 2.570 65.975 63.200 0.343 0.000 1.151 450 S HN 0.137 nan 8.310 nan 0.000 0.485 451 T N 1.306 116.129 114.554 0.449 0.000 2.861 451 T HA 0.367 4.793 4.350 0.126 0.000 0.287 451 T C -1.040 173.751 174.700 0.151 0.000 1.003 451 T CA -0.547 61.740 62.100 0.312 0.000 0.977 451 T CB 0.910 69.899 68.868 0.202 0.000 0.996 451 T HN 0.471 nan 8.240 nan 0.000 0.448 452 E N 2.072 122.115 120.200 -0.261 0.000 2.383 452 E HA 0.440 4.865 4.350 0.126 0.000 0.264 452 E C 0.372 176.769 176.600 -0.339 0.000 1.050 452 E CA 0.074 56.030 56.400 -0.739 0.000 0.896 452 E CB 1.248 30.332 29.700 -1.027 0.000 0.982 452 E HN 0.801 nan 8.360 nan 0.000 0.424 453 G N 1.622 110.185 108.800 -0.396 0.000 3.209 453 G HA2 0.535 4.570 3.960 0.126 0.000 0.236 453 G HA3 0.535 4.570 3.960 0.126 0.000 0.236 453 G C -1.054 173.602 174.900 -0.407 0.000 1.329 453 G CA -0.588 44.444 45.100 -0.113 0.000 1.015 453 G HN 0.357 nan 8.290 nan 0.000 0.571 454 F N -0.649 119.259 119.950 -0.071 0.000 2.457 454 F HA 0.505 5.108 4.527 0.126 0.000 0.330 454 F C 1.055 176.798 175.800 -0.095 0.000 1.069 454 F CA -0.452 57.491 58.000 -0.095 0.000 1.009 454 F CB 1.193 40.147 39.000 -0.078 0.000 1.276 454 F HN 0.200 nan 8.300 nan 0.000 0.492 455 L N 1.541 122.834 121.223 0.118 0.000 3.843 455 L HA -0.323 4.092 4.340 0.126 0.000 0.411 455 L C -0.513 176.331 176.870 -0.043 0.000 1.205 455 L CA 0.523 55.381 54.840 0.030 0.000 0.945 455 L CB -1.799 40.280 42.059 0.034 0.000 1.929 455 L HN 0.783 nan 8.230 nan 0.000 0.934 456 D N -2.878 117.464 120.400 -0.098 0.000 3.090 456 D HA -0.140 4.576 4.640 0.126 0.000 0.215 456 D C 0.850 177.032 176.300 -0.198 0.000 1.140 456 D CA 1.449 55.373 54.000 -0.127 0.000 0.937 456 D CB -0.796 39.983 40.800 -0.034 0.000 1.108 456 D HN 0.765 nan 8.370 nan 0.000 0.420 457 A N -0.647 121.999 122.820 -0.290 0.000 2.407 457 A HA 0.457 4.853 4.320 0.126 0.000 0.248 457 A C -0.227 176.957 177.584 -0.667 0.000 1.082 457 A CA 0.173 51.947 52.037 -0.438 0.000 0.785 457 A CB 0.476 19.201 19.000 -0.459 0.000 1.020 457 A HN 0.221 nan 8.150 nan 0.000 0.489 458 W N 0.694 121.652 121.300 -0.569 0.000 2.839 458 W HA 0.611 5.346 4.660 0.126 0.000 0.334 458 W C -1.384 174.790 176.519 -0.575 0.000 1.064 458 W CA -0.163 56.938 57.345 -0.406 0.000 1.236 458 W CB 1.770 31.113 29.460 -0.196 0.000 1.405 458 W HN 0.493 nan 8.180 nan 0.000 0.478 459 F N 2.031 122.120 119.950 0.233 0.000 2.467 459 F HA 0.361 4.964 4.527 0.126 0.000 0.336 459 F C 0.711 176.619 175.800 0.179 0.000 1.123 459 F CA -1.115 56.974 58.000 0.149 0.000 0.964 459 F CB 1.830 40.884 39.000 0.090 0.000 1.136 459 F HN 0.120 nan 8.300 nan 0.000 0.447 460 S N 3.169 119.056 115.700 0.312 0.000 2.525 460 S HA 0.103 4.649 4.470 0.126 0.000 0.285 460 S C 1.454 176.238 174.600 0.307 0.000 1.283 460 S CA -0.275 58.073 58.200 0.246 0.000 1.072 460 S CB 0.426 63.722 63.200 0.159 0.000 0.867 460 S HN 0.750 nan 8.310 nan 0.000 0.492 461 R N 2.674 123.313 120.500 0.233 0.000 2.115 461 R HA -0.002 4.413 4.340 0.126 0.000 0.230 461 R C 1.494 177.922 176.300 0.214 0.000 1.111 461 R CA 1.262 57.491 56.100 0.216 0.000 0.976 461 R CB 0.031 30.406 30.300 0.125 0.000 0.870 461 R HN 0.644 nan 8.270 nan 0.000 0.445 462 E N 0.015 120.269 120.200 0.091 0.000 2.389 462 E HA 0.034 4.459 4.350 0.126 0.000 0.199 462 E C 0.033 176.479 176.600 -0.256 0.000 0.978 462 E CA 0.340 56.708 56.400 -0.053 0.000 0.912 462 E CB 0.531 30.220 29.700 -0.018 0.000 0.907 462 E HN 0.040 nan 8.360 nan 0.000 0.494 463 K N 1.121 121.416 120.400 -0.175 0.000 2.425 463 K HA 0.251 4.647 4.320 0.126 0.000 0.259 463 K C -1.393 175.108 176.600 -0.165 0.000 0.978 463 K CA -0.290 55.866 56.287 -0.217 0.000 0.883 463 K CB 0.459 32.931 32.500 -0.046 0.000 1.110 463 K HN 0.008 nan 8.250 nan 0.000 0.436 464 H N -0.028 119.045 119.070 0.004 0.000 3.003 464 H HA 0.367 4.998 4.556 0.126 0.000 0.327 464 H C -0.466 174.833 175.328 -0.047 0.000 1.353 464 H CA -1.067 54.979 56.048 -0.003 0.000 1.142 464 H CB 0.695 30.470 29.762 0.023 0.000 1.864 464 H HN 0.339 nan 8.280 nan 0.000 0.529 465 C N -0.189 119.172 119.300 0.102 0.000 2.683 465 C HA 0.137 4.672 4.460 0.126 0.000 0.491 465 C C 2.312 177.297 174.990 -0.008 0.000 1.342 465 C CA 0.297 59.271 59.018 -0.072 0.000 2.476 465 C CB -0.482 26.959 27.740 -0.498 0.000 3.150 465 C HN 0.797 nan 8.230 nan 0.000 0.551 466 L N 2.722 124.014 121.223 0.116 0.000 2.079 466 L HA -0.002 4.414 4.340 0.126 0.000 0.210 466 L C -0.910 175.976 176.870 0.028 0.000 1.081 466 L CA 2.450 57.329 54.840 0.065 0.000 0.752 466 L CB -1.569 40.559 42.059 0.114 0.000 0.896 466 L HN 0.123 nan 8.230 nan 0.000 0.433 467 P HA -0.165 nan 4.420 nan 0.000 0.215 467 P C 1.303 178.603 177.300 -0.001 0.000 1.157 467 P CA 1.460 64.541 63.100 -0.032 0.000 0.868 467 P CB 0.064 31.669 31.700 -0.158 0.000 0.788 468 E N -0.768 119.448 120.200 0.026 0.000 2.110 468 E HA -0.126 4.299 4.350 0.126 0.000 0.193 468 E C 2.043 178.656 176.600 0.022 0.000 0.988 468 E CA 0.921 57.334 56.400 0.021 0.000 0.804 468 E CB -0.942 28.777 29.700 0.032 0.000 0.745 468 E HN 0.259 nan 8.360 nan 0.000 0.458 469 I N -0.106 120.475 120.570 0.020 0.000 2.202 469 I HA -0.238 4.007 4.170 0.126 0.000 0.242 469 I C 2.064 178.268 176.117 0.145 0.000 1.091 469 I CA 0.724 62.050 61.300 0.044 0.000 1.368 469 I CB -0.254 37.701 38.000 -0.075 0.000 1.058 469 I HN 0.008 nan 8.210 nan 0.000 0.410 470 V N 0.648 120.663 119.914 0.169 0.000 2.343 470 V HA -0.289 3.906 4.120 0.126 0.000 0.247 470 V C 2.520 178.717 176.094 0.172 0.000 1.051 470 V CA 2.453 64.913 62.300 0.266 0.000 1.036 470 V CB -0.902 31.080 31.823 0.265 0.000 0.654 470 V HN 0.478 nan 8.190 nan 0.000 0.451 471 T N -0.089 114.474 114.554 0.016 0.000 2.708 471 T HA -0.206 4.219 4.350 0.126 0.000 0.266 471 T C 1.721 176.252 174.700 -0.281 0.000 1.037 471 T CA 2.010 63.984 62.100 -0.210 0.000 1.146 471 T CB -0.480 68.258 68.868 -0.216 0.000 0.865 471 T HN 0.600 nan 8.240 nan 0.000 0.435 472 N N 0.550 119.224 118.700 -0.043 0.000 2.084 472 N HA -0.019 4.796 4.740 0.126 0.000 0.190 472 N C 1.867 177.449 175.510 0.119 0.000 1.030 472 N CA 1.049 54.140 53.050 0.068 0.000 0.849 472 N CB -0.237 38.311 38.487 0.101 0.000 1.012 472 N HN 0.316 nan 8.380 nan 0.000 0.423 473 I N 0.164 120.822 120.570 0.146 0.000 2.315 473 I HA -0.234 4.012 4.170 0.126 0.000 0.248 473 I C 2.241 178.469 176.117 0.186 0.000 1.117 473 I CA 0.671 62.071 61.300 0.166 0.000 1.404 473 I CB -0.246 37.865 38.000 0.186 0.000 1.071 473 I HN 0.434 nan 8.210 nan 0.000 0.419 474 W N 2.194 123.462 121.300 -0.054 0.000 2.363 474 W HA -0.188 4.549 4.660 0.128 0.000 0.296 474 W C 2.375 178.896 176.519 0.003 0.000 1.212 474 W CA 1.727 59.034 57.345 -0.062 0.000 1.260 474 W CB -0.791 28.585 29.460 -0.141 0.000 1.131 474 W HN 0.308 nan 8.180 nan 0.000 0.530 475 H N -1.388 117.913 119.070 0.385 0.000 2.389 475 H HA -0.066 4.566 4.556 0.126 0.000 0.299 475 H C 2.500 177.933 175.328 0.174 0.000 1.081 475 H CA 1.182 57.379 56.048 0.248 0.000 1.345 475 H CB -0.583 29.260 29.762 0.136 0.000 1.393 475 H HN 0.183 nan 8.280 nan 0.000 0.520 476 G N 0.560 109.515 108.800 0.259 0.000 2.422 476 G HA2 -0.274 3.761 3.960 0.126 0.000 0.218 476 G HA3 -0.274 3.761 3.960 0.126 0.000 0.218 476 G C 1.663 176.635 174.900 0.120 0.000 1.140 476 G CA 0.514 45.712 45.100 0.163 0.000 0.775 476 G HN 0.291 nan 8.290 nan 0.000 0.545 477 R N 0.347 120.907 120.500 0.101 0.000 2.075 477 R HA -0.059 4.357 4.340 0.126 0.000 0.232 477 R C 1.981 178.307 176.300 0.043 0.000 1.126 477 R CA 1.599 57.714 56.100 0.026 0.000 0.963 477 R CB -0.227 30.022 30.300 -0.085 0.000 0.858 477 R HN 0.161 nan 8.270 nan 0.000 0.435 478 D N 0.319 120.786 120.400 0.111 0.000 2.123 478 D HA -0.191 4.525 4.640 0.126 0.000 0.196 478 D C 1.712 178.070 176.300 0.097 0.000 0.992 478 D CA 1.295 55.370 54.000 0.125 0.000 0.833 478 D CB -0.171 40.766 40.800 0.227 0.000 0.954 478 D HN 0.288 nan 8.370 nan 0.000 0.455 479 E N 0.920 121.184 120.200 0.108 0.000 2.110 479 E HA -0.087 4.338 4.350 0.126 0.000 0.193 479 E C 1.846 178.487 176.600 0.068 0.000 0.988 479 E CA 1.291 57.741 56.400 0.084 0.000 0.804 479 E CB -0.274 29.480 29.700 0.091 0.000 0.745 479 E HN 0.168 nan 8.360 nan 0.000 0.458 480 A N 0.694 123.553 122.820 0.066 0.000 1.898 480 A HA -0.180 4.215 4.320 0.126 0.000 0.216 480 A C 2.058 179.669 177.584 0.045 0.000 1.181 480 A CA 1.730 53.803 52.037 0.060 0.000 0.620 480 A CB -0.387 18.648 19.000 0.058 0.000 0.819 480 A HN 0.213 nan 8.150 nan 0.000 0.442 481 K N -0.812 119.606 120.400 0.030 0.000 2.057 481 K HA -0.123 4.272 4.320 0.126 0.000 0.207 481 K C 2.357 178.971 176.600 0.024 0.000 1.049 481 K CA 1.429 57.724 56.287 0.015 0.000 0.931 481 K CB -0.165 32.337 32.500 0.003 0.000 0.714 481 K HN 0.435 nan 8.250 nan 0.000 0.440 482 R N 1.384 121.906 120.500 0.036 0.000 2.081 482 R HA -0.154 4.262 4.340 0.126 0.000 0.235 482 R C 1.908 178.229 176.300 0.037 0.000 1.131 482 R CA 1.583 57.704 56.100 0.036 0.000 0.960 482 R CB 0.065 30.391 30.300 0.043 0.000 0.856 482 R HN 0.249 nan 8.270 nan 0.000 0.436 483 Q N -1.233 118.593 119.800 0.044 0.000 2.472 483 Q HA 0.071 4.486 4.340 0.126 0.000 0.208 483 Q C 0.729 176.757 176.000 0.048 0.000 0.958 483 Q CA 0.602 56.434 55.803 0.049 0.000 0.932 483 Q CB 0.693 29.467 28.738 0.060 0.000 1.007 483 Q HN 0.662 nan 8.270 nan 0.000 0.508 484 G N 1.920 110.743 108.800 0.038 0.000 2.143 484 G HA2 -0.255 3.780 3.960 0.126 0.000 0.248 484 G HA3 -0.255 3.780 3.960 0.126 0.000 0.248 484 G C -0.040 174.885 174.900 0.042 0.000 0.991 484 G CA 0.138 45.256 45.100 0.031 0.000 0.689 484 G HN 0.311 nan 8.290 nan 0.000 0.522 485 N N 0.631 119.367 118.700 0.060 0.000 2.663 485 N HA 0.251 5.067 4.740 0.126 0.000 0.250 485 N C 1.559 177.114 175.510 0.075 0.000 1.129 485 N CA 0.059 53.164 53.050 0.091 0.000 0.995 485 N CB 0.267 38.828 38.487 0.123 0.000 1.324 485 N HN 0.509 nan 8.380 nan 0.000 0.512 486 K N 2.063 122.480 120.400 0.029 0.000 2.097 486 K HA -0.065 4.331 4.320 0.126 0.000 0.206 486 K C -0.907 175.697 176.600 0.008 0.000 1.049 486 K CA 1.244 57.519 56.287 -0.020 0.000 0.933 486 K CB -0.282 32.165 32.500 -0.090 0.000 0.717 486 K HN 0.387 nan 8.250 nan 0.000 0.442 487 P HA -0.158 nan 4.420 nan 0.000 0.215 487 P C 1.306 178.884 177.300 0.463 0.000 1.157 487 P CA 0.825 64.031 63.100 0.177 0.000 0.863 487 P CB 0.111 31.861 31.700 0.083 0.000 0.787 488 L N -0.624 120.878 121.223 0.465 0.000 2.046 488 L HA -0.115 4.301 4.340 0.126 0.000 0.208 488 L C 2.415 179.406 176.870 0.202 0.000 1.077 488 L CA 1.974 57.036 54.840 0.371 0.000 0.747 488 L CB -1.564 40.623 42.059 0.214 0.000 0.896 488 L HN -0.102 nan 8.230 nan 0.000 0.432 489 S N -1.088 114.684 115.700 0.120 0.000 2.359 489 S HA -0.309 4.237 4.470 0.126 0.000 0.224 489 S C 2.058 176.647 174.600 -0.018 0.000 1.035 489 S CA 1.713 59.929 58.200 0.027 0.000 1.018 489 S CB -0.348 62.846 63.200 -0.010 0.000 0.876 489 S HN 0.684 nan 8.310 nan 0.000 0.448 490 Q N 0.918 120.693 119.800 -0.042 0.000 2.124 490 Q HA 0.107 4.523 4.340 0.126 0.000 0.202 490 Q C 2.026 177.954 176.000 -0.121 0.000 0.977 490 Q CA 1.886 57.552 55.803 -0.228 0.000 0.850 490 Q CB -0.774 27.658 28.738 -0.509 0.000 0.901 490 Q HN 0.574 nan 8.270 nan 0.000 0.429 491 A N 0.092 123.105 122.820 0.322 0.000 1.933 491 A HA -0.110 4.285 4.320 0.126 0.000 0.218 491 A C 2.061 179.757 177.584 0.187 0.000 1.175 491 A CA 1.353 53.704 52.037 0.523 0.000 0.628 491 A CB -0.682 18.699 19.000 0.635 0.000 0.814 491 A HN 0.461 nan 8.150 nan 0.000 0.444 492 L N -0.702 120.573 121.223 0.087 0.000 2.093 492 L HA -0.150 4.265 4.340 0.126 0.000 0.208 492 L C 2.615 179.446 176.870 -0.065 0.000 1.085 492 L CA 1.653 56.494 54.840 0.002 0.000 0.755 492 L CB -0.408 41.651 42.059 0.000 0.000 0.904 492 L HN 0.465 nan 8.230 nan 0.000 0.435 493 K N 0.686 121.031 120.400 -0.091 0.000 2.026 493 K HA -0.194 4.201 4.320 0.126 0.000 0.208 493 K C 2.122 178.656 176.600 -0.110 0.000 1.048 493 K CA 1.332 57.531 56.287 -0.147 0.000 0.929 493 K CB 0.096 32.486 32.500 -0.184 0.000 0.713 493 K HN 0.126 nan 8.250 nan 0.000 0.439 494 I N 1.744 122.276 120.570 -0.063 0.000 2.226 494 I HA -0.248 3.998 4.170 0.126 0.000 0.245 494 I C 2.403 178.500 176.117 -0.033 0.000 1.100 494 I CA 1.194 62.491 61.300 -0.005 0.000 1.374 494 I CB -0.937 37.135 38.000 0.119 0.000 1.057 494 I HN 0.227 nan 8.210 nan 0.000 0.413 495 I N 0.112 120.642 120.570 -0.066 0.000 2.208 495 I HA -0.336 3.909 4.170 0.126 0.000 0.245 495 I C 2.704 178.487 176.117 -0.556 0.000 1.097 495 I CA 1.461 62.628 61.300 -0.221 0.000 1.363 495 I CB -0.225 37.670 38.000 -0.174 0.000 1.051 495 I HN 0.179 nan 8.210 nan 0.000 0.413 496 M N -0.059 119.301 119.600 -0.400 0.000 2.117 496 M HA -0.198 4.358 4.480 0.126 0.000 0.262 496 M C 1.998 178.227 176.300 -0.119 0.000 1.065 496 M CA 1.628 56.712 55.300 -0.361 0.000 1.114 496 M CB -0.597 31.942 32.600 -0.101 0.000 1.361 496 M HN 0.257 nan 8.290 nan 0.000 0.408 497 N N 0.769 119.453 118.700 -0.028 0.000 2.166 497 N HA -0.070 4.745 4.740 0.126 0.000 0.186 497 N C 1.625 177.269 175.510 0.224 0.000 1.019 497 N CA 1.556 54.696 53.050 0.150 0.000 0.856 497 N CB -0.284 38.262 38.487 0.098 0.000 0.993 497 N HN 0.321 nan 8.380 nan 0.000 0.426 498 A N 0.090 122.953 122.820 0.073 0.000 2.067 498 A HA -0.056 4.340 4.320 0.126 0.000 0.219 498 A C 1.640 179.380 177.584 0.260 0.000 1.158 498 A CA 0.648 52.753 52.037 0.113 0.000 0.661 498 A CB -0.588 18.456 19.000 0.075 0.000 0.801 498 A HN 0.107 nan 8.150 nan 0.000 0.452 499 F N -1.185 118.915 119.950 0.250 0.000 2.234 499 F HA -0.101 4.503 4.527 0.127 0.000 0.299 499 F C 2.154 178.091 175.800 0.228 0.000 1.087 499 F CA 0.565 58.766 58.000 0.336 0.000 1.340 499 F CB -1.364 37.854 39.000 0.363 0.000 1.031 499 F HN 0.577 nan 8.300 nan 0.000 0.500 500 Y N 0.568 121.067 120.300 0.331 0.000 2.200 500 Y HA 0.044 4.669 4.550 0.125 0.000 0.290 500 Y C 2.383 178.365 175.900 0.136 0.000 1.137 500 Y CA 1.250 59.462 58.100 0.188 0.000 1.163 500 Y CB -1.064 37.514 38.460 0.196 0.000 0.988 500 Y HN -0.022 nan 8.280 nan 0.000 0.518 501 G N 0.746 109.297 108.800 -0.415 0.000 2.440 501 G HA2 -0.270 3.766 3.960 0.126 0.000 0.218 501 G HA3 -0.270 3.766 3.960 0.126 0.000 0.218 501 G C 1.676 176.429 174.900 -0.244 0.000 1.154 501 G CA 2.173 46.977 45.100 -0.495 0.000 0.767 501 G HN 0.619 nan 8.290 nan 0.000 0.552 502 V N -0.726 119.124 119.914 -0.107 0.000 2.515 502 V HA 0.034 4.229 4.120 0.126 0.000 0.250 502 V C 2.662 178.691 176.094 -0.109 0.000 1.058 502 V CA 1.298 63.541 62.300 -0.096 0.000 1.064 502 V CB -0.580 31.174 31.823 -0.114 0.000 0.675 502 V HN 0.313 nan 8.190 nan 0.000 0.461 503 L N 1.283 122.418 121.223 -0.146 0.000 2.362 503 L HA 0.093 4.509 4.340 0.126 0.000 0.219 503 L C 2.392 179.293 176.870 0.051 0.000 1.134 503 L CA 1.286 56.078 54.840 -0.080 0.000 0.807 503 L CB -0.794 41.221 42.059 -0.074 0.000 0.927 503 L HN 0.544 nan 8.230 nan 0.000 0.447 504 G N -1.648 107.177 108.800 0.042 0.000 3.126 504 G HA2 0.012 4.048 3.960 0.126 0.000 0.224 504 G HA3 0.012 4.048 3.960 0.126 0.000 0.224 504 G C 0.439 175.514 174.900 0.292 0.000 1.142 504 G CA 0.094 45.301 45.100 0.178 0.000 0.759 504 G HN 0.168 nan 8.290 nan 0.000 0.550 505 T N -0.431 114.234 114.554 0.185 0.000 2.829 505 T HA 0.386 4.812 4.350 0.126 0.000 0.280 505 T C 1.750 176.271 174.700 -0.298 0.000 0.999 505 T CA 0.320 62.378 62.100 -0.070 0.000 0.983 505 T CB 1.434 70.263 68.868 -0.065 0.000 0.968 505 T HN 0.072 nan 8.240 nan 0.000 0.446 506 T N 1.994 116.110 114.554 -0.729 0.000 3.098 506 T HA 0.052 4.478 4.350 0.126 0.000 0.266 506 T C 2.064 176.603 174.700 -0.268 0.000 1.145 506 T CA 0.781 62.439 62.100 -0.737 0.000 1.092 506 T CB -0.336 68.130 68.868 -0.669 0.000 0.908 506 T HN 0.644 nan 8.240 nan 0.000 0.526 507 A N 0.035 122.750 122.820 -0.176 0.000 2.121 507 A HA 0.174 4.569 4.320 0.126 0.000 0.218 507 A C 1.516 179.070 177.584 -0.051 0.000 1.154 507 A CA 0.331 52.318 52.037 -0.084 0.000 0.679 507 A CB -0.927 18.043 19.000 -0.051 0.000 0.795 507 A HN 0.689 nan 8.150 nan 0.000 0.458 508 C N 1.035 120.310 119.300 -0.042 0.000 2.319 508 C HA 0.483 5.018 4.460 0.126 0.000 0.335 508 C C 2.154 177.107 174.990 -0.061 0.000 1.274 508 C CA -0.643 58.356 59.018 -0.032 0.000 1.806 508 C CB 0.391 28.116 27.740 -0.026 0.000 2.329 508 C HN 0.715 nan 8.230 nan 0.000 0.524 509 R N 2.529 122.904 120.500 -0.208 0.000 2.193 509 R HA -0.094 4.322 4.340 0.126 0.000 0.229 509 R C 0.241 176.261 176.300 -0.466 0.000 1.110 509 R CA 1.815 57.697 56.100 -0.363 0.000 0.988 509 R CB -0.421 29.547 30.300 -0.552 0.000 0.871 509 R HN 0.690 nan 8.270 nan 0.000 0.458 510 F N 0.725 120.619 119.950 -0.093 0.000 2.645 510 F HA 0.234 4.836 4.527 0.125 0.000 0.300 510 F C 0.363 176.125 175.800 -0.063 0.000 1.115 510 F CA -1.498 56.421 58.000 -0.135 0.000 1.355 510 F CB -0.279 38.558 39.000 -0.273 0.000 1.026 510 F HN -0.113 nan 8.300 nan 0.000 0.536 511 F N 2.505 122.446 119.950 -0.015 0.000 2.578 511 F HA 0.247 4.849 4.527 0.126 0.000 0.376 511 F C 0.014 175.838 175.800 0.041 0.000 1.085 511 F CA 0.115 58.111 58.000 -0.006 0.000 1.260 511 F CB 0.235 39.220 39.000 -0.025 0.000 1.095 511 F HN -0.000 nan 8.300 nan 0.000 0.573 512 D N 7.714 127.574 120.400 -0.900 0.000 2.804 512 D HA 0.197 4.912 4.640 0.126 0.000 0.209 512 D C -2.435 173.484 176.300 -0.635 0.000 1.314 512 D CA -1.380 52.126 54.000 -0.822 0.000 0.894 512 D CB 2.497 43.134 40.800 -0.271 0.000 1.615 512 D HN 0.162 nan 8.370 nan 0.000 0.571 513 P HA -0.032 nan 4.420 nan 0.000 0.219 513 P C 1.251 178.513 177.300 -0.063 0.000 1.146 513 P CA 0.878 63.877 63.100 -0.167 0.000 0.808 513 P CB 0.380 32.080 31.700 0.001 0.000 0.779 514 R N -0.881 119.573 120.500 -0.077 0.000 2.096 514 R HA -0.047 4.368 4.340 0.126 0.000 0.235 514 R C 2.229 178.602 176.300 0.122 0.000 1.127 514 R CA 1.045 57.154 56.100 0.015 0.000 0.968 514 R CB -0.871 29.410 30.300 -0.033 0.000 0.861 514 R HN 0.252 nan 8.270 nan 0.000 0.440 515 L N -0.289 120.978 121.223 0.074 0.000 2.023 515 L HA -0.106 4.310 4.340 0.126 0.000 0.205 515 L C 2.666 179.575 176.870 0.066 0.000 1.073 515 L CA 1.274 56.192 54.840 0.130 0.000 0.745 515 L CB -0.553 41.547 42.059 0.067 0.000 0.900 515 L HN 0.214 nan 8.230 nan 0.000 0.435 516 A N -0.765 122.076 122.820 0.036 0.000 1.877 516 A HA -0.191 4.204 4.320 0.126 0.000 0.216 516 A C 2.497 180.092 177.584 0.019 0.000 1.186 516 A CA 2.078 54.164 52.037 0.081 0.000 0.620 516 A CB -0.717 18.333 19.000 0.084 0.000 0.822 516 A HN 0.341 nan 8.150 nan 0.000 0.443 517 S N -0.076 115.625 115.700 0.002 0.000 2.382 517 S HA -0.110 4.435 4.470 0.126 0.000 0.228 517 S C 2.238 176.757 174.600 -0.136 0.000 1.027 517 S CA 1.387 59.544 58.200 -0.071 0.000 0.991 517 S CB -0.268 62.931 63.200 -0.000 0.000 0.823 517 S HN 0.606 nan 8.310 nan 0.000 0.469 518 S N 0.966 116.682 115.700 0.026 0.000 2.423 518 S HA 0.077 4.623 4.470 0.126 0.000 0.231 518 S C 1.648 176.167 174.600 -0.135 0.000 1.014 518 S CA 0.724 58.996 58.200 0.121 0.000 0.965 518 S CB -0.237 63.136 63.200 0.288 0.000 0.785 518 S HN 0.430 nan 8.310 nan 0.000 0.495 519 I N 1.154 121.577 120.570 -0.245 0.000 2.296 519 I HA -0.120 4.125 4.170 0.126 0.000 0.242 519 I C 2.830 178.546 176.117 -0.667 0.000 1.087 519 I CA 1.501 62.542 61.300 -0.431 0.000 1.393 519 I CB -0.846 36.891 38.000 -0.439 0.000 1.093 519 I HN 0.365 nan 8.210 nan 0.000 0.421 520 T N -0.775 113.354 114.554 -0.708 0.000 2.821 520 T HA -0.145 4.280 4.350 0.126 0.000 0.267 520 T C 1.879 175.991 174.700 -0.981 0.000 1.046 520 T CA 1.102 62.730 62.100 -0.787 0.000 1.139 520 T CB -0.402 68.159 68.868 -0.511 0.000 0.871 520 T HN 0.164 nan 8.240 nan 0.000 0.454 521 M N 0.297 119.312 119.600 -0.975 0.000 2.229 521 M HA 0.094 4.650 4.480 0.126 0.000 0.264 521 M C 2.676 178.386 176.300 -0.982 0.000 1.063 521 M CA 1.284 55.835 55.300 -1.248 0.000 1.114 521 M CB -0.198 31.370 32.600 -1.721 0.000 1.387 521 M HN 0.129 nan 8.290 nan 0.000 0.420 522 R N 0.585 120.659 120.500 -0.710 0.000 2.092 522 R HA -0.044 4.372 4.340 0.126 0.000 0.231 522 R C 2.062 178.150 176.300 -0.352 0.000 1.119 522 R CA 1.768 57.637 56.100 -0.386 0.000 0.970 522 R CB -1.159 28.789 30.300 -0.587 0.000 0.864 522 R HN 0.388 nan 8.270 nan 0.000 0.440 523 G N -0.940 107.627 108.800 -0.388 0.000 2.422 523 G HA2 -0.263 3.772 3.960 0.126 0.000 0.218 523 G HA3 -0.263 3.772 3.960 0.126 0.000 0.218 523 G C 1.098 175.984 174.900 -0.024 0.000 1.146 523 G CA 1.122 46.108 45.100 -0.190 0.000 0.769 523 G HN 0.536 nan 8.290 nan 0.000 0.547 524 H N -0.632 118.392 119.070 -0.078 0.000 2.353 524 H HA -0.071 4.560 4.556 0.126 0.000 0.300 524 H C 2.602 177.950 175.328 0.034 0.000 1.090 524 H CA 1.201 57.279 56.048 0.050 0.000 1.327 524 H CB 0.098 29.882 29.762 0.037 0.000 1.383 524 H HN 0.401 nan 8.280 nan 0.000 0.508 525 Q N 1.050 120.930 119.800 0.132 0.000 2.084 525 Q HA -0.143 4.273 4.340 0.126 0.000 0.202 525 Q C 2.259 178.378 176.000 0.198 0.000 0.978 525 Q CA 1.314 57.219 55.803 0.170 0.000 0.844 525 Q CB 0.055 28.911 28.738 0.196 0.000 0.898 525 Q HN 0.497 nan 8.270 nan 0.000 0.426 526 I N 0.256 120.888 120.570 0.104 0.000 2.226 526 I HA -0.296 3.949 4.170 0.126 0.000 0.245 526 I C 2.322 178.535 176.117 0.159 0.000 1.100 526 I CA 0.797 62.197 61.300 0.166 0.000 1.374 526 I CB -0.195 37.602 38.000 -0.338 0.000 1.057 526 I HN 0.355 nan 8.210 nan 0.000 0.413 527 M N -0.076 119.477 119.600 -0.077 0.000 2.175 527 M HA -0.149 4.406 4.480 0.126 0.000 0.264 527 M C 2.370 178.463 176.300 -0.346 0.000 1.063 527 M CA 1.626 56.737 55.300 -0.314 0.000 1.119 527 M CB -1.156 30.962 32.600 -0.804 0.000 1.377 527 M HN 0.197 nan 8.290 nan 0.000 0.415 528 R N -0.260 120.132 120.500 -0.180 0.000 2.073 528 R HA -0.187 4.228 4.340 0.126 0.000 0.234 528 R C 2.252 178.554 176.300 0.004 0.000 1.134 528 R CA 1.483 57.578 56.100 -0.009 0.000 0.952 528 R CB -0.360 30.011 30.300 0.118 0.000 0.850 528 R HN 0.293 nan 8.270 nan 0.000 0.433 529 Q N 0.185 120.011 119.800 0.043 0.000 2.124 529 Q HA -0.099 4.317 4.340 0.126 0.000 0.202 529 Q C 1.696 177.607 176.000 -0.150 0.000 0.977 529 Q CA 2.001 57.754 55.803 -0.083 0.000 0.850 529 Q CB -0.135 28.541 28.738 -0.102 0.000 0.901 529 Q HN 0.201 nan 8.270 nan 0.000 0.429 530 T N 0.262 114.836 114.554 0.033 0.000 2.746 530 T HA -0.148 4.278 4.350 0.126 0.000 0.267 530 T C 1.555 176.235 174.700 -0.033 0.000 1.039 530 T CA 1.465 63.598 62.100 0.055 0.000 1.142 530 T CB -0.199 68.819 68.868 0.249 0.000 0.866 530 T HN 0.335 nan 8.240 nan 0.000 0.444 531 K N 0.978 121.359 120.400 -0.031 0.000 2.057 531 K HA -0.019 4.377 4.320 0.126 0.000 0.207 531 K C 2.496 179.079 176.600 -0.028 0.000 1.049 531 K CA 1.194 57.476 56.287 -0.009 0.000 0.931 531 K CB -0.277 32.242 32.500 0.031 0.000 0.714 531 K HN 0.287 nan 8.250 nan 0.000 0.440 532 A N 1.239 124.020 122.820 -0.065 0.000 1.930 532 A HA -0.084 4.311 4.320 0.126 0.000 0.217 532 A C 2.081 179.578 177.584 -0.145 0.000 1.175 532 A CA 1.097 53.079 52.037 -0.090 0.000 0.627 532 A CB -0.506 18.430 19.000 -0.106 0.000 0.815 532 A HN 0.298 nan 8.150 nan 0.000 0.443 533 L N -0.342 120.744 121.223 -0.227 0.000 2.083 533 L HA -0.155 4.261 4.340 0.126 0.000 0.209 533 L C 2.390 179.190 176.870 -0.117 0.000 1.083 533 L CA 0.729 55.422 54.840 -0.246 0.000 0.752 533 L CB -0.514 41.317 42.059 -0.380 0.000 0.899 533 L HN 0.321 nan 8.230 nan 0.000 0.433 534 I N 0.082 120.610 120.570 -0.070 0.000 2.202 534 I HA -0.220 4.025 4.170 0.126 0.000 0.242 534 I C 2.412 178.540 176.117 0.018 0.000 1.091 534 I CA 1.495 62.789 61.300 -0.009 0.000 1.368 534 I CB -0.706 37.293 38.000 -0.002 0.000 1.058 534 I HN 0.353 nan 8.210 nan 0.000 0.410 535 E N 0.998 121.194 120.200 -0.006 0.000 2.153 535 E HA -0.183 4.243 4.350 0.126 0.000 0.194 535 E C 2.232 178.791 176.600 -0.068 0.000 0.988 535 E CA 1.298 57.689 56.400 -0.015 0.000 0.811 535 E CB -0.110 29.589 29.700 -0.003 0.000 0.746 535 E HN 0.469 nan 8.360 nan 0.000 0.466 536 A N 0.754 123.525 122.820 -0.082 0.000 2.067 536 A HA -0.143 4.252 4.320 0.126 0.000 0.219 536 A C 1.875 179.376 177.584 -0.138 0.000 1.158 536 A CA 0.942 52.919 52.037 -0.101 0.000 0.661 536 A CB 0.015 18.954 19.000 -0.101 0.000 0.801 536 A HN 0.053 nan 8.150 nan 0.000 0.452 537 Q N -1.320 118.392 119.800 -0.146 0.000 2.403 537 Q HA 0.205 4.621 4.340 0.126 0.000 0.203 537 Q C 1.087 176.861 176.000 -0.377 0.000 0.932 537 Q CA 0.648 56.337 55.803 -0.190 0.000 0.945 537 Q CB 0.092 28.778 28.738 -0.086 0.000 1.045 537 Q HN 0.940 nan 8.270 nan 0.000 0.511 538 G N -0.063 108.520 108.800 -0.361 0.000 2.141 538 G HA2 -0.263 3.772 3.960 0.126 0.000 0.231 538 G HA3 -0.263 3.772 3.960 0.126 0.000 0.231 538 G C -0.390 174.100 174.900 -0.682 0.000 0.984 538 G CA -0.012 44.776 45.100 -0.519 0.000 0.660 538 G HN 0.276 nan 8.290 nan 0.000 0.525 539 Y N 0.085 120.322 120.300 -0.105 0.000 2.587 539 Y HA 0.656 5.282 4.550 0.126 0.000 0.337 539 Y C 0.082 175.959 175.900 -0.039 0.000 1.065 539 Y CA -1.346 56.692 58.100 -0.105 0.000 1.126 539 Y CB 1.155 39.539 38.460 -0.127 0.000 1.279 539 Y HN -0.030 nan 8.280 nan 0.000 0.489 540 D N 0.663 121.173 120.400 0.182 0.000 2.210 540 D HA 0.368 5.084 4.640 0.126 0.000 0.249 540 D C -0.951 175.484 176.300 0.225 0.000 1.078 540 D CA -0.222 53.912 54.000 0.224 0.000 0.875 540 D CB 1.827 42.865 40.800 0.396 0.000 1.175 540 D HN 0.162 nan 8.370 nan 0.000 0.440 541 V N 4.289 124.312 119.914 0.181 0.000 2.288 541 V HA 0.105 4.301 4.120 0.126 0.000 0.266 541 V C 1.632 177.833 176.094 0.178 0.000 1.048 541 V CA -0.426 61.967 62.300 0.156 0.000 0.842 541 V CB 0.388 32.283 31.823 0.120 0.000 1.064 541 V HN 0.504 nan 8.190 nan 0.000 0.472 542 I N 2.319 122.989 120.570 0.168 0.000 2.546 542 I HA 0.148 4.393 4.170 0.126 0.000 0.255 542 I C 0.520 176.753 176.117 0.194 0.000 1.163 542 I CA 1.293 62.673 61.300 0.133 0.000 1.457 542 I CB 0.034 37.995 38.000 -0.065 0.000 1.092 542 I HN 0.488 nan 8.210 nan 0.000 0.434 543 Y N 0.571 120.896 120.300 0.041 0.000 2.641 543 Y HA 0.676 5.301 4.550 0.125 0.000 0.333 543 Y C -0.856 175.171 175.900 0.211 0.000 1.174 543 Y CA -1.009 57.094 58.100 0.004 0.000 1.057 543 Y CB 1.469 39.760 38.460 -0.282 0.000 1.322 543 Y HN 0.043 nan 8.280 nan 0.000 0.457 544 G N 2.669 111.151 108.800 -0.531 0.000 2.759 544 G HA2 0.482 4.518 3.960 0.126 0.000 0.297 544 G HA3 0.482 4.518 3.960 0.126 0.000 0.297 544 G C -2.562 172.107 174.900 -0.384 0.000 1.434 544 G CA -0.664 44.278 45.100 -0.264 0.000 0.980 544 G HN 0.554 nan 8.290 nan 0.000 0.531 545 D N 0.687 121.008 120.400 -0.131 0.000 2.616 545 D HA 0.498 5.214 4.640 0.126 0.000 0.238 545 D C 1.130 177.506 176.300 0.127 0.000 1.354 545 D CA 0.632 54.648 54.000 0.027 0.000 0.970 545 D CB 1.180 41.999 40.800 0.031 0.000 1.369 545 D HN 0.471 nan 8.370 nan 0.000 0.585 546 T N 2.441 117.115 114.554 0.200 0.000 12.763 546 T HA -0.309 4.117 4.350 0.126 0.000 0.419 546 T C 0.760 175.505 174.700 0.074 0.000 1.443 546 T CA 2.088 64.277 62.100 0.148 0.000 2.376 546 T CB -1.105 67.800 68.868 0.062 0.000 2.832 546 T HN 0.661 nan 8.240 nan 0.000 0.739 547 D N 1.314 121.738 120.400 0.040 0.000 2.520 547 D HA 0.301 5.016 4.640 0.126 0.000 0.223 547 D C 0.266 176.624 176.300 0.097 0.000 1.186 547 D CA 0.611 54.659 54.000 0.079 0.000 0.821 547 D CB 0.083 40.885 40.800 0.004 0.000 1.072 547 D HN 0.715 nan 8.370 nan 0.000 0.518 548 S N -0.657 115.062 115.700 0.032 0.000 2.500 548 S HA 0.681 5.227 4.470 0.126 0.000 0.301 548 S C -0.438 174.102 174.600 -0.099 0.000 1.092 548 S CA -0.461 57.688 58.200 -0.085 0.000 1.030 548 S CB 2.025 65.149 63.200 -0.126 0.000 1.031 548 S HN -0.046 nan 8.310 nan 0.000 0.483 549 T N 3.307 117.730 114.554 -0.217 0.000 2.823 549 T HA 0.545 4.970 4.350 0.126 0.000 0.279 549 T C -1.155 173.370 174.700 -0.292 0.000 0.998 549 T CA -0.281 61.742 62.100 -0.128 0.000 0.994 549 T CB 0.280 69.089 68.868 -0.098 0.000 0.960 549 T HN 0.561 nan 8.240 nan 0.000 0.448 550 F N 2.202 122.070 119.950 -0.137 0.000 2.388 550 F HA 0.507 5.109 4.527 0.125 0.000 0.358 550 F C 0.001 175.720 175.800 -0.134 0.000 1.122 550 F CA -0.968 56.921 58.000 -0.185 0.000 1.056 550 F CB 1.270 40.135 39.000 -0.226 0.000 1.155 550 F HN 0.168 nan 8.300 nan 0.000 0.461 551 V N 3.032 122.923 119.914 -0.037 0.000 2.357 551 V HA 0.149 4.345 4.120 0.126 0.000 0.284 551 V C -0.839 175.282 176.094 0.045 0.000 1.018 551 V CA -0.885 61.408 62.300 -0.011 0.000 0.841 551 V CB 0.976 32.724 31.823 -0.124 0.000 0.991 551 V HN 0.696 nan 8.190 nan 0.000 0.437 552 W N 5.825 127.073 121.300 -0.088 0.000 2.322 552 W HA 0.485 5.221 4.660 0.126 0.000 0.307 552 W C 0.543 177.092 176.519 0.050 0.000 1.220 552 W CA -1.226 56.094 57.345 -0.041 0.000 1.210 552 W CB 0.958 30.413 29.460 -0.009 0.000 1.223 552 W HN 0.530 nan 8.180 nan 0.000 0.511 553 L N 6.507 127.664 121.223 -0.111 0.000 2.599 553 L HA 0.005 4.421 4.340 0.126 0.000 0.230 553 L C 1.424 178.060 176.870 -0.391 0.000 1.141 553 L CA 0.337 55.052 54.840 -0.209 0.000 0.877 553 L CB -0.515 41.377 42.059 -0.279 0.000 1.009 553 L HN 0.605 nan 8.230 nan 0.000 0.447 554 K N -0.389 119.240 120.400 -1.285 0.000 3.472 554 K HA -0.165 4.231 4.320 0.126 0.000 0.315 554 K C 0.407 176.787 176.600 -0.366 0.000 1.320 554 K CA 0.588 55.986 56.287 -1.481 0.000 0.962 554 K CB -1.435 30.453 32.500 -1.021 0.000 1.251 554 K HN 0.588 nan 8.250 nan 0.000 0.443 555 G N -0.928 107.857 108.800 -0.024 0.000 2.523 555 G HA2 0.601 4.637 3.960 0.126 0.000 0.291 555 G HA3 0.601 4.637 3.960 0.126 0.000 0.291 555 G C -1.493 173.559 174.900 0.253 0.000 1.450 555 G CA -0.346 44.843 45.100 0.149 0.000 0.790 555 G HN 0.307 nan 8.290 nan 0.000 0.496 556 A N 0.540 123.476 122.820 0.194 0.000 2.477 556 A HA 0.624 5.019 4.320 0.126 0.000 0.246 556 A C -0.085 177.569 177.584 0.117 0.000 1.078 556 A CA 0.121 52.278 52.037 0.201 0.000 0.770 556 A CB 0.077 19.161 19.000 0.140 0.000 1.011 556 A HN 0.715 nan 8.150 nan 0.000 0.494 557 H N 0.766 119.885 119.070 0.080 0.000 2.768 557 H HA 0.377 5.008 4.556 0.126 0.000 0.371 557 H C 0.292 175.632 175.328 0.020 0.000 1.151 557 H CA 0.068 56.115 56.048 -0.002 0.000 1.165 557 H CB 2.203 31.904 29.762 -0.103 0.000 1.722 557 H HN 0.908 nan 8.280 nan 0.000 0.543 558 S N 1.668 117.419 115.700 0.085 0.000 2.589 558 S HA 0.000 4.546 4.470 0.126 0.000 0.265 558 S C 1.185 175.822 174.600 0.062 0.000 1.342 558 S CA -0.527 57.720 58.200 0.078 0.000 1.005 558 S CB 1.152 64.373 63.200 0.034 0.000 0.909 558 S HN 0.617 nan 8.310 nan 0.000 0.555 559 E N 1.009 121.269 120.200 0.100 0.000 2.051 559 E HA -0.162 4.264 4.350 0.126 0.000 0.192 559 E C 1.898 178.507 176.600 0.015 0.000 0.991 559 E CA 1.428 57.893 56.400 0.108 0.000 0.799 559 E CB -0.468 29.308 29.700 0.127 0.000 0.748 559 E HN 0.868 nan 8.360 nan 0.000 0.449 560 E N 0.621 120.828 120.200 0.012 0.000 2.051 560 E HA -0.182 4.243 4.350 0.126 0.000 0.192 560 E C 1.972 178.549 176.600 -0.038 0.000 0.991 560 E CA 0.893 57.288 56.400 -0.008 0.000 0.799 560 E CB 0.091 29.791 29.700 -0.000 0.000 0.748 560 E HN 0.305 nan 8.360 nan 0.000 0.449 561 E N 0.004 120.191 120.200 -0.022 0.000 2.077 561 E HA -0.190 4.236 4.350 0.126 0.000 0.193 561 E C 1.983 178.516 176.600 -0.113 0.000 0.989 561 E CA 0.899 57.297 56.400 -0.002 0.000 0.800 561 E CB -0.089 29.688 29.700 0.128 0.000 0.746 561 E HN 0.236 nan 8.360 nan 0.000 0.452 562 A N 1.451 124.139 122.820 -0.221 0.000 1.877 562 A HA -0.104 4.292 4.320 0.126 0.000 0.216 562 A C 2.399 179.750 177.584 -0.389 0.000 1.186 562 A CA 1.646 53.404 52.037 -0.465 0.000 0.620 562 A CB -0.666 17.746 19.000 -0.980 0.000 0.822 562 A HN 0.295 nan 8.150 nan 0.000 0.443 563 A N -0.354 122.340 122.820 -0.209 0.000 1.940 563 A HA -0.191 4.204 4.320 0.126 0.000 0.219 563 A C 2.126 179.530 177.584 -0.300 0.000 1.176 563 A CA 2.111 54.066 52.037 -0.138 0.000 0.631 563 A CB -0.442 18.577 19.000 0.031 0.000 0.814 563 A HN 0.550 nan 8.150 nan 0.000 0.446 564 K N -0.369 119.899 120.400 -0.220 0.000 2.025 564 K HA -0.031 4.365 4.320 0.126 0.000 0.207 564 K C 1.769 178.199 176.600 -0.283 0.000 1.049 564 K CA 1.492 57.661 56.287 -0.197 0.000 0.933 564 K CB -0.292 32.136 32.500 -0.119 0.000 0.714 564 K HN 0.517 nan 8.250 nan 0.000 0.438 565 I N 0.251 120.612 120.570 -0.349 0.000 2.286 565 I HA -0.185 4.061 4.170 0.126 0.000 0.248 565 I C 2.339 178.137 176.117 -0.532 0.000 1.115 565 I CA 1.298 62.354 61.300 -0.406 0.000 1.392 565 I CB -0.500 37.192 38.000 -0.515 0.000 1.065 565 I HN 0.371 nan 8.210 nan 0.000 0.418 566 G N 0.779 109.098 108.800 -0.803 0.000 2.408 566 G HA2 -0.186 3.849 3.960 0.126 0.000 0.217 566 G HA3 -0.186 3.849 3.960 0.126 0.000 0.217 566 G C 1.824 176.279 174.900 -0.741 0.000 1.150 566 G CA 0.264 44.670 45.100 -1.157 0.000 0.776 566 G HN 0.296 nan 8.290 nan 0.000 0.542 567 R N 0.457 120.625 120.500 -0.553 0.000 2.090 567 R HA 0.098 4.513 4.340 0.126 0.000 0.228 567 R C 2.997 179.202 176.300 -0.158 0.000 1.110 567 R CA 1.023 56.983 56.100 -0.233 0.000 0.973 567 R CB -0.346 29.869 30.300 -0.141 0.000 0.869 567 R HN 0.341 nan 8.270 nan 0.000 0.440 568 A N 1.472 124.185 122.820 -0.179 0.000 1.898 568 A HA -0.097 4.299 4.320 0.126 0.000 0.216 568 A C 2.214 179.754 177.584 -0.073 0.000 1.181 568 A CA 1.004 52.980 52.037 -0.102 0.000 0.620 568 A CB -0.511 18.425 19.000 -0.106 0.000 0.819 568 A HN 0.146 nan 8.150 nan 0.000 0.442 569 L N 0.115 121.248 121.223 -0.149 0.000 2.046 569 L HA -0.186 4.230 4.340 0.126 0.000 0.208 569 L C 2.696 179.549 176.870 -0.029 0.000 1.077 569 L CA 1.673 56.452 54.840 -0.103 0.000 0.747 569 L CB -0.601 41.340 42.059 -0.197 0.000 0.896 569 L HN 0.469 nan 8.230 nan 0.000 0.432 570 V N -3.446 116.426 119.914 -0.070 0.000 2.548 570 V HA -0.230 3.966 4.120 0.126 0.000 0.249 570 V C 2.304 178.421 176.094 0.039 0.000 1.055 570 V CA 1.435 63.721 62.300 -0.022 0.000 1.065 570 V CB -0.748 31.056 31.823 -0.031 0.000 0.681 570 V HN 0.491 nan 8.190 nan 0.000 0.462 571 Q N 0.467 120.289 119.800 0.037 0.000 2.119 571 Q HA -0.283 4.133 4.340 0.126 0.000 0.201 571 Q C 2.310 178.371 176.000 0.102 0.000 0.972 571 Q CA 2.424 58.264 55.803 0.063 0.000 0.847 571 Q CB -0.367 28.397 28.738 0.042 0.000 0.903 571 Q HN 0.913 nan 8.270 nan 0.000 0.433 572 H N -0.193 118.887 119.070 0.016 0.000 2.321 572 H HA -0.081 4.551 4.556 0.126 0.000 0.300 572 H C 2.003 177.374 175.328 0.072 0.000 1.087 572 H CA 2.053 58.120 56.048 0.033 0.000 1.319 572 H CB -0.086 29.673 29.762 -0.005 0.000 1.379 572 H HN 0.035 nan 8.280 nan 0.000 0.501 573 V N 1.007 120.985 119.914 0.107 0.000 2.295 573 V HA -0.290 3.906 4.120 0.126 0.000 0.246 573 V C 2.072 178.308 176.094 0.237 0.000 1.049 573 V CA 2.083 64.437 62.300 0.090 0.000 1.024 573 V CB -0.513 31.399 31.823 0.148 0.000 0.648 573 V HN 0.569 nan 8.190 nan 0.000 0.447 574 N N 0.506 119.361 118.700 0.260 0.000 2.149 574 N HA -0.130 4.685 4.740 0.126 0.000 0.188 574 N C 1.810 177.462 175.510 0.235 0.000 1.019 574 N CA 1.665 54.906 53.050 0.317 0.000 0.857 574 N CB -0.537 38.071 38.487 0.200 0.000 0.997 574 N HN 0.512 nan 8.380 nan 0.000 0.426 575 A N -0.278 122.613 122.820 0.117 0.000 1.898 575 A HA -0.126 4.270 4.320 0.126 0.000 0.216 575 A C 2.188 179.794 177.584 0.036 0.000 1.181 575 A CA 1.069 53.137 52.037 0.051 0.000 0.620 575 A CB -1.135 17.864 19.000 -0.000 0.000 0.819 575 A HN 0.508 nan 8.150 nan 0.000 0.442 576 W N -0.653 120.509 121.300 -0.230 0.000 2.358 576 W HA -0.195 4.540 4.660 0.126 0.000 0.303 576 W C 1.910 178.313 176.519 -0.194 0.000 1.208 576 W CA 1.795 58.957 57.345 -0.306 0.000 1.274 576 W CB -0.326 28.830 29.460 -0.507 0.000 1.138 576 W HN 0.467 nan 8.180 nan 0.000 0.515 577 W N -0.008 121.448 121.300 0.261 0.000 2.355 577 W HA -0.154 4.581 4.660 0.126 0.000 0.309 577 W C 2.660 179.131 176.519 -0.081 0.000 1.206 577 W CA 1.819 59.241 57.345 0.128 0.000 1.284 577 W CB -1.016 28.577 29.460 0.221 0.000 1.145 577 W HN -0.072 nan 8.180 nan 0.000 0.502 578 A N 0.582 123.516 122.820 0.190 0.000 1.883 578 A HA -0.250 4.145 4.320 0.126 0.000 0.217 578 A C 1.705 179.255 177.584 -0.057 0.000 1.186 578 A CA 2.054 54.121 52.037 0.050 0.000 0.624 578 A CB -0.851 18.173 19.000 0.039 0.000 0.822 578 A HN 0.391 nan 8.150 nan 0.000 0.444 579 E N -0.967 119.155 120.200 -0.129 0.000 2.028 579 E HA -0.119 4.307 4.350 0.126 0.000 0.191 579 E C 2.156 178.578 176.600 -0.298 0.000 0.988 579 E CA 1.622 57.898 56.400 -0.207 0.000 0.799 579 E CB -0.390 29.164 29.700 -0.244 0.000 0.755 579 E HN 0.568 nan 8.360 nan 0.000 0.447 580 T N 1.391 115.636 114.554 -0.515 0.000 2.684 580 T HA -0.147 4.279 4.350 0.126 0.000 0.267 580 T C 1.749 176.305 174.700 -0.240 0.000 1.036 580 T CA 1.013 62.771 62.100 -0.569 0.000 1.148 580 T CB -0.187 67.999 68.868 -1.136 0.000 0.863 580 T HN -0.031 nan 8.240 nan 0.000 0.436 581 L N 1.077 122.234 121.223 -0.110 0.000 2.201 581 L HA 0.024 4.439 4.340 0.126 0.000 0.212 581 L C 2.576 179.387 176.870 -0.098 0.000 1.105 581 L CA 1.367 56.167 54.840 -0.067 0.000 0.775 581 L CB -0.910 41.108 42.059 -0.068 0.000 0.913 581 L HN 0.299 nan 8.230 nan 0.000 0.440 582 Q N 0.020 119.759 119.800 -0.102 0.000 2.170 582 Q HA -0.227 4.189 4.340 0.126 0.000 0.203 582 Q C 1.984 177.936 176.000 -0.081 0.000 0.976 582 Q CA 1.382 57.131 55.803 -0.089 0.000 0.858 582 Q CB 0.079 28.766 28.738 -0.085 0.000 0.907 582 Q HN 0.450 nan 8.270 nan 0.000 0.433 583 K N -0.048 120.297 120.400 -0.092 0.000 2.211 583 K HA -0.168 4.228 4.320 0.126 0.000 0.204 583 K C 1.563 178.134 176.600 -0.049 0.000 1.047 583 K CA 1.184 57.427 56.287 -0.073 0.000 0.935 583 K CB 0.035 32.483 32.500 -0.087 0.000 0.728 583 K HN 0.369 nan 8.250 nan 0.000 0.452 584 Q N 0.181 119.952 119.800 -0.048 0.000 2.246 584 Q HA 0.130 4.545 4.340 0.126 0.000 0.202 584 Q C -0.354 175.626 176.000 -0.033 0.000 0.883 584 Q CA -0.162 55.625 55.803 -0.026 0.000 0.952 584 Q CB 0.466 29.193 28.738 -0.017 0.000 1.078 584 Q HN 0.145 nan 8.270 nan 0.000 0.493 585 R N 0.187 120.659 120.500 -0.047 0.000 3.651 585 R HA -0.173 4.242 4.340 0.126 0.000 0.292 585 R C -1.091 175.170 176.300 -0.064 0.000 1.161 585 R CA 0.249 56.321 56.100 -0.047 0.000 0.787 585 R CB -1.535 28.747 30.300 -0.030 0.000 1.249 585 R HN 0.203 nan 8.270 nan 0.000 0.476 586 L N -0.577 120.587 121.223 -0.098 0.000 2.333 586 L HA 0.534 4.950 4.340 0.126 0.000 0.269 586 L C 0.317 177.096 176.870 -0.151 0.000 1.010 586 L CA -0.911 53.838 54.840 -0.151 0.000 0.818 586 L CB 2.241 44.151 42.059 -0.249 0.000 1.306 586 L HN -0.089 nan 8.230 nan 0.000 0.430 587 T N 0.384 114.838 114.554 -0.167 0.000 2.772 587 T HA 0.184 4.609 4.350 0.126 0.000 0.288 587 T C -0.094 174.498 174.700 -0.179 0.000 0.994 587 T CA -0.315 61.700 62.100 -0.140 0.000 0.951 587 T CB 1.399 70.200 68.868 -0.112 0.000 0.933 587 T HN 0.514 nan 8.240 nan 0.000 0.447 588 S N 1.981 117.596 115.700 -0.141 0.000 2.531 588 S HA 0.453 4.998 4.470 0.126 0.000 0.279 588 S C 0.998 175.527 174.600 -0.118 0.000 1.305 588 S CA -0.502 57.616 58.200 -0.137 0.000 1.058 588 S CB 0.248 63.431 63.200 -0.028 0.000 0.899 588 S HN 0.830 nan 8.310 nan 0.000 0.493 589 A N 5.541 128.272 122.820 -0.148 0.000 2.470 589 A HA 0.388 4.784 4.320 0.126 0.000 0.251 589 A C 0.428 177.985 177.584 -0.045 0.000 1.245 589 A CA -0.388 51.547 52.037 -0.169 0.000 0.932 589 A CB -0.081 18.739 19.000 -0.300 0.000 1.037 589 A HN 0.766 nan 8.150 nan 0.000 0.522 590 L N 0.893 122.095 121.223 -0.036 0.000 2.499 590 L HA 0.178 4.593 4.340 0.126 0.000 0.273 590 L C 0.440 177.418 176.870 0.181 0.000 1.195 590 L CA 0.375 55.222 54.840 0.011 0.000 0.882 590 L CB 0.388 42.299 42.059 -0.247 0.000 1.133 590 L HN 0.433 nan 8.230 nan 0.000 0.483 591 E N 3.869 124.252 120.200 0.305 0.000 2.761 591 E HA 0.217 4.642 4.350 0.126 0.000 0.266 591 E C -1.246 175.488 176.600 0.223 0.000 1.097 591 E CA -0.787 55.776 56.400 0.272 0.000 0.773 591 E CB 1.142 31.016 29.700 0.290 0.000 1.453 591 E HN 0.385 nan 8.360 nan 0.000 0.388 592 L N 3.298 124.580 121.223 0.097 0.000 2.410 592 L HA 0.252 4.668 4.340 0.126 0.000 0.273 592 L C -0.511 176.295 176.870 -0.107 0.000 1.152 592 L CA 0.737 55.415 54.840 -0.269 0.000 0.855 592 L CB 0.620 42.392 42.059 -0.479 0.000 1.129 592 L HN 0.447 nan 8.230 nan 0.000 0.463 593 E N 3.880 124.006 120.200 -0.124 0.000 2.227 593 E HA 0.157 4.583 4.350 0.126 0.000 0.268 593 E C -1.662 174.900 176.600 -0.064 0.000 0.907 593 E CA -0.845 55.518 56.400 -0.061 0.000 0.786 593 E CB 1.890 31.554 29.700 -0.060 0.000 1.191 593 E HN 0.504 nan 8.360 nan 0.000 0.411 594 Y N 2.480 122.690 120.300 -0.149 0.000 2.477 594 Y HA 0.145 4.771 4.550 0.127 0.000 0.349 594 Y C 0.639 176.438 175.900 -0.168 0.000 0.977 594 Y CA 0.070 58.065 58.100 -0.176 0.000 1.214 594 Y CB 0.443 38.809 38.460 -0.157 0.000 1.124 594 Y HN 0.618 nan 8.280 nan 0.000 0.521 595 E N 2.604 122.471 120.200 -0.556 0.000 2.045 595 E HA 0.075 4.500 4.350 0.126 0.000 0.190 595 E C -0.238 175.929 176.600 -0.723 0.000 0.968 595 E CA 0.945 57.015 56.400 -0.550 0.000 0.813 595 E CB 0.411 29.892 29.700 -0.365 0.000 0.780 595 E HN 0.543 nan 8.360 nan 0.000 0.455 596 T N -0.579 113.535 114.554 -0.735 0.000 2.909 596 T HA 0.270 4.695 4.350 0.126 0.000 0.299 596 T C -1.371 173.033 174.700 -0.493 0.000 1.073 596 T CA -0.667 61.024 62.100 -0.683 0.000 0.999 596 T CB 1.754 70.140 68.868 -0.803 0.000 1.098 596 T HN 0.132 nan 8.240 nan 0.000 0.477 597 H N 1.793 120.574 119.070 -0.481 0.000 2.638 597 H HA 0.544 5.176 4.556 0.126 0.000 0.317 597 H C -1.689 173.456 175.328 -0.305 0.000 1.006 597 H CA -1.410 54.499 56.048 -0.233 0.000 1.222 597 H CB -0.110 29.627 29.762 -0.042 0.000 1.419 597 H HN 0.367 nan 8.280 nan 0.000 0.489 598 F N 5.452 125.275 119.950 -0.212 0.000 2.375 598 F HA 0.145 4.747 4.527 0.125 0.000 0.362 598 F C 1.717 177.288 175.800 -0.382 0.000 1.129 598 F CA -0.564 57.264 58.000 -0.286 0.000 1.154 598 F CB 0.360 39.315 39.000 -0.076 0.000 1.205 598 F HN 0.829 nan 8.300 nan 0.000 0.513 599 C N 1.586 120.640 119.300 -0.410 0.000 2.425 599 C HA 0.065 4.600 4.460 0.126 0.000 0.277 599 C C 0.971 175.970 174.990 0.015 0.000 1.280 599 C CA 0.282 59.172 59.018 -0.214 0.000 1.744 599 C CB -0.608 27.037 27.740 -0.159 0.000 1.989 599 C HN 0.538 nan 8.230 nan 0.000 0.491 600 R N 0.101 120.557 120.500 -0.073 0.000 2.561 600 R HA 0.642 5.057 4.340 0.126 0.000 0.297 600 R C -1.691 174.500 176.300 -0.182 0.000 0.969 600 R CA -0.409 55.631 56.100 -0.100 0.000 0.879 600 R CB 1.819 31.982 30.300 -0.228 0.000 1.178 600 R HN 0.502 nan 8.270 nan 0.000 0.445 601 F N 2.904 122.768 119.950 -0.142 0.000 2.561 601 F HA 0.437 5.039 4.527 0.125 0.000 0.313 601 F C -1.530 174.250 175.800 -0.033 0.000 1.126 601 F CA -1.211 56.673 58.000 -0.193 0.000 0.918 601 F CB 1.470 40.388 39.000 -0.137 0.000 1.199 601 F HN 0.338 nan 8.300 nan 0.000 0.444 602 L N 7.645 128.420 121.223 -0.747 0.000 2.298 602 L HA 0.605 5.021 4.340 0.126 0.000 0.284 602 L C -1.199 175.130 176.870 -0.902 0.000 1.013 602 L CA -0.603 53.842 54.840 -0.658 0.000 0.824 602 L CB 1.230 43.043 42.059 -0.410 0.000 1.221 602 L HN 0.717 nan 8.230 nan 0.000 0.418 603 M N 9.674 128.877 119.600 -0.662 0.000 2.055 603 M HA 0.571 5.126 4.480 0.126 0.000 0.346 603 M C -2.598 173.501 176.300 -0.334 0.000 1.074 603 M CA -2.659 52.371 55.300 -0.450 0.000 1.009 603 M CB 0.888 33.382 32.600 -0.176 0.000 1.423 603 M HN 0.323 nan 8.290 nan 0.000 0.410 604 P HA 0.287 nan 4.420 nan 0.000 0.274 604 P C -0.819 176.531 177.300 0.084 0.000 1.237 604 P CA -0.188 62.901 63.100 -0.018 0.000 0.793 604 P CB 0.459 32.134 31.700 -0.041 0.000 0.977 605 T N -1.029 113.631 114.554 0.178 0.000 2.902 605 T HA 0.372 4.797 4.350 0.126 0.000 0.280 605 T C 0.804 175.519 174.700 0.025 0.000 0.992 605 T CA -0.933 61.210 62.100 0.070 0.000 1.015 605 T CB 0.341 69.220 68.868 0.018 0.000 1.044 605 T HN 0.149 nan 8.240 nan 0.000 0.520 606 I N 1.513 122.085 120.570 0.004 0.000 2.692 606 I HA 0.139 4.385 4.170 0.126 0.000 0.284 606 I C 1.261 177.380 176.117 0.002 0.000 1.159 606 I CA -0.164 61.137 61.300 0.001 0.000 1.423 606 I CB 0.458 38.458 38.000 -0.000 0.000 1.380 606 I HN 0.798 nan 8.210 nan 0.000 0.580 607 R N 3.755 124.261 120.500 0.010 0.000 2.640 607 R HA 0.117 4.532 4.340 0.126 0.000 0.270 607 R C 0.969 177.269 176.300 0.000 0.000 1.024 607 R CA 0.975 57.081 56.100 0.010 0.000 1.085 607 R CB 0.150 30.466 30.300 0.026 0.000 0.963 607 R HN 0.931 nan 8.270 nan 0.000 0.426 608 G N 1.391 110.185 108.800 -0.010 0.000 2.225 608 G HA2 -0.219 3.816 3.960 0.126 0.000 0.267 608 G HA3 -0.219 3.816 3.960 0.126 0.000 0.267 608 G C -0.210 174.676 174.900 -0.022 0.000 1.024 608 G CA 0.479 45.568 45.100 -0.017 0.000 0.784 608 G HN 0.948 nan 8.290 nan 0.000 0.507 609 A N -1.794 121.008 122.820 -0.030 0.000 2.581 609 A HA 0.740 5.136 4.320 0.126 0.000 0.290 609 A C 0.301 177.858 177.584 -0.045 0.000 1.119 609 A CA 0.360 52.378 52.037 -0.031 0.000 0.670 609 A CB 0.417 19.407 19.000 -0.016 0.000 1.280 609 A HN -0.025 nan 8.150 nan 0.000 0.425 610 D N 0.183 120.560 120.400 -0.039 0.000 2.366 610 D HA 0.101 4.817 4.640 0.126 0.000 0.205 610 D C 0.264 176.552 176.300 -0.021 0.000 1.022 610 D CA 0.990 54.963 54.000 -0.044 0.000 0.868 610 D CB 0.112 40.888 40.800 -0.040 0.000 0.953 610 D HN 0.510 nan 8.370 nan 0.000 0.514 611 T N 1.051 115.598 114.554 -0.011 0.000 2.908 611 T HA 0.305 4.730 4.350 0.126 0.000 0.301 611 T C 0.828 175.528 174.700 0.000 0.000 1.019 611 T CA -0.066 62.033 62.100 -0.002 0.000 1.152 611 T CB 1.125 69.992 68.868 -0.001 0.000 0.966 611 T HN 0.018 nan 8.240 nan 0.000 0.540 612 G N 2.635 111.437 108.800 0.004 0.000 2.441 612 G HA2 0.346 4.382 3.960 0.126 0.000 0.243 612 G HA3 0.346 4.382 3.960 0.126 0.000 0.243 612 G C 0.061 174.932 174.900 -0.048 0.000 1.281 612 G CA -0.604 44.489 45.100 -0.012 0.000 0.854 612 G HN 0.678 nan 8.290 nan 0.000 0.560 613 S N 0.598 116.248 115.700 -0.083 0.000 2.601 613 S HA 0.333 4.878 4.470 0.126 0.000 0.271 613 S C 0.291 174.780 174.600 -0.185 0.000 1.305 613 S CA -0.384 57.757 58.200 -0.099 0.000 1.022 613 S CB 1.128 64.277 63.200 -0.084 0.000 0.940 613 S HN 0.518 nan 8.310 nan 0.000 0.525 614 K N 1.407 121.750 120.400 -0.095 0.000 2.207 614 K HA 0.357 4.752 4.320 0.126 0.000 0.255 614 K C -0.247 176.366 176.600 0.022 0.000 0.941 614 K CA -0.718 55.541 56.287 -0.046 0.000 0.825 614 K CB 1.223 33.772 32.500 0.081 0.000 1.119 614 K HN 0.566 nan 8.250 nan 0.000 0.430 615 K N 1.220 121.699 120.400 0.130 0.000 3.209 615 K HA -0.197 4.199 4.320 0.126 0.000 0.289 615 K C -0.618 175.998 176.600 0.027 0.000 1.191 615 K CA 0.960 57.353 56.287 0.176 0.000 0.851 615 K CB -0.617 31.967 32.500 0.139 0.000 1.242 615 K HN 0.516 nan 8.250 nan 0.000 0.480 616 R N 0.303 120.787 120.500 -0.026 0.000 2.514 616 R HA 0.428 4.843 4.340 0.126 0.000 0.296 616 R C -0.789 175.451 176.300 -0.101 0.000 1.012 616 R CA -0.669 55.352 56.100 -0.131 0.000 0.897 616 R CB 1.103 31.341 30.300 -0.105 0.000 1.184 616 R HN 0.228 nan 8.270 nan 0.000 0.440 617 Y N -1.261 118.926 120.300 -0.189 0.000 2.741 617 Y HA 0.816 5.442 4.550 0.128 0.000 0.339 617 Y C -1.743 173.970 175.900 -0.312 0.000 1.226 617 Y CA -1.362 56.532 58.100 -0.343 0.000 1.072 617 Y CB 1.219 39.410 38.460 -0.448 0.000 1.331 617 Y HN 0.654 nan 8.280 nan 0.000 0.453 618 A N 0.446 123.096 122.820 -0.283 0.000 2.556 618 A HA 1.004 5.399 4.320 0.126 0.000 0.294 618 A C -0.643 176.656 177.584 -0.475 0.000 1.091 618 A CA -0.436 51.367 52.037 -0.390 0.000 0.704 618 A CB 1.535 20.360 19.000 -0.293 0.000 1.300 618 A HN 1.979 nan 8.150 nan 0.000 0.406 619 G N -0.833 107.592 108.800 -0.625 0.000 2.646 619 G HA2 0.629 4.665 3.960 0.126 0.000 0.291 619 G HA3 0.629 4.665 3.960 0.126 0.000 0.291 619 G C -2.245 172.303 174.900 -0.588 0.000 1.445 619 G CA -0.497 44.081 45.100 -0.870 0.000 0.814 619 G HN 1.334 nan 8.290 nan 0.000 0.495 620 L N 0.413 121.298 121.223 -0.564 0.000 2.341 620 L HA 0.812 5.227 4.340 0.126 0.000 0.278 620 L C -0.775 176.079 176.870 -0.027 0.000 1.005 620 L CA -0.777 53.886 54.840 -0.295 0.000 0.818 620 L CB 1.485 43.242 42.059 -0.502 0.000 1.259 620 L HN 0.452 nan 8.230 nan 0.000 0.418 621 I N 3.871 124.434 120.570 -0.012 0.000 2.436 621 I HA 0.393 4.639 4.170 0.126 0.000 0.289 621 I C -0.757 175.313 176.117 -0.078 0.000 1.010 621 I CA -0.735 60.510 61.300 -0.092 0.000 1.098 621 I CB 1.967 39.893 38.000 -0.122 0.000 1.266 621 I HN 0.570 nan 8.210 nan 0.000 0.434 622 Q N 5.642 125.387 119.800 -0.092 0.000 2.303 622 Q HA 0.319 4.735 4.340 0.126 0.000 0.257 622 Q C -1.063 174.917 176.000 -0.033 0.000 0.941 622 Q CA -0.085 55.693 55.803 -0.042 0.000 0.931 622 Q CB 1.076 29.802 28.738 -0.020 0.000 1.215 622 Q HN 0.513 nan 8.270 nan 0.000 0.437 623 E N 3.697 123.883 120.200 -0.023 0.000 3.303 623 E HA 0.455 4.881 4.350 0.126 0.000 0.215 623 E C -0.089 176.506 176.600 -0.008 0.000 1.181 623 E CA -0.088 56.300 56.400 -0.021 0.000 0.998 623 E CB 0.778 30.458 29.700 -0.033 0.000 1.312 623 E HN 0.979 nan 8.360 nan 0.000 0.412 624 G N 2.524 111.324 108.800 0.001 0.000 2.662 624 G HA2 -0.284 3.751 3.960 0.126 0.000 0.236 624 G HA3 -0.284 3.751 3.960 0.126 0.000 0.236 624 G C -0.218 174.687 174.900 0.008 0.000 1.212 624 G CA -0.143 44.960 45.100 0.005 0.000 0.968 624 G HN 0.444 nan 8.290 nan 0.000 0.576 625 D N 1.734 122.138 120.400 0.008 0.000 2.427 625 D HA 0.396 5.111 4.640 0.126 0.000 0.224 625 D C 0.494 176.801 176.300 0.011 0.000 1.157 625 D CA 0.210 54.216 54.000 0.011 0.000 0.828 625 D CB 0.480 41.286 40.800 0.011 0.000 0.974 625 D HN 0.194 nan 8.370 nan 0.000 0.498 626 K N 0.550 120.955 120.400 0.008 0.000 2.400 626 K HA 0.532 4.927 4.320 0.126 0.000 0.246 626 K C -0.531 176.073 176.600 0.006 0.000 0.995 626 K CA -0.687 55.605 56.287 0.009 0.000 0.840 626 K CB 2.158 34.662 32.500 0.006 0.000 1.293 626 K HN -0.032 nan 8.250 nan 0.000 0.445 627 Q N 0.832 120.639 119.800 0.012 0.000 2.359 627 Q HA 0.482 4.897 4.340 0.126 0.000 0.274 627 Q C -1.007 175.006 176.000 0.022 0.000 1.074 627 Q CA -0.806 55.003 55.803 0.011 0.000 0.810 627 Q CB 3.575 32.326 28.738 0.022 0.000 1.342 627 Q HN 0.427 nan 8.270 nan 0.000 0.427 628 R N 2.654 123.165 120.500 0.019 0.000 2.621 628 R HA 0.560 4.975 4.340 0.126 0.000 0.284 628 R C -1.293 175.039 176.300 0.053 0.000 0.998 628 R CA -0.435 55.689 56.100 0.040 0.000 0.895 628 R CB 1.504 31.820 30.300 0.026 0.000 1.195 628 R HN 0.626 nan 8.270 nan 0.000 0.450 629 M N 3.302 122.952 119.600 0.084 0.000 2.367 629 M HA 0.387 4.943 4.480 0.126 0.000 0.339 629 M C -0.826 175.498 176.300 0.041 0.000 1.177 629 M CA -0.972 54.355 55.300 0.045 0.000 1.068 629 M CB 2.107 34.783 32.600 0.127 0.000 1.602 629 M HN 0.307 nan 8.290 nan 0.000 0.457 630 V N 2.963 122.825 119.914 -0.088 0.000 2.540 630 V HA 0.524 4.720 4.120 0.126 0.000 0.302 630 V C -1.206 174.685 176.094 -0.338 0.000 1.035 630 V CA -0.521 61.769 62.300 -0.018 0.000 0.873 630 V CB 1.829 33.788 31.823 0.227 0.000 0.992 630 V HN 0.601 nan 8.190 nan 0.000 0.428 631 F N 4.299 124.205 119.950 -0.072 0.000 2.493 631 F HA 0.636 5.240 4.527 0.128 0.000 0.329 631 F C 0.187 175.835 175.800 -0.253 0.000 1.126 631 F CA -0.863 57.024 58.000 -0.188 0.000 0.937 631 F CB 2.064 40.933 39.000 -0.218 0.000 1.146 631 F HN 0.176 nan 8.300 nan 0.000 0.442 632 K N 2.126 122.341 120.400 -0.308 0.000 2.425 632 K HA 0.540 4.935 4.320 0.126 0.000 0.259 632 K C 0.707 177.130 176.600 -0.295 0.000 0.978 632 K CA -0.317 55.740 56.287 -0.383 0.000 0.883 632 K CB 1.193 33.238 32.500 -0.757 0.000 1.110 632 K HN 0.834 nan 8.250 nan 0.000 0.436 633 G N 1.995 110.699 108.800 -0.160 0.000 2.234 633 G HA2 -0.298 3.738 3.960 0.126 0.000 0.260 633 G HA3 -0.298 3.738 3.960 0.126 0.000 0.260 633 G C 0.236 175.045 174.900 -0.152 0.000 0.987 633 G CA 0.165 45.192 45.100 -0.122 0.000 0.625 633 G HN 0.444 nan 8.290 nan 0.000 0.532 634 L N 0.106 121.224 121.223 -0.174 0.000 2.476 634 L HA 0.400 4.816 4.340 0.126 0.000 0.255 634 L C 1.967 178.609 176.870 -0.379 0.000 1.218 634 L CA -0.354 54.338 54.840 -0.247 0.000 0.819 634 L CB 0.289 42.244 42.059 -0.173 0.000 1.119 634 L HN 0.080 nan 8.230 nan 0.000 0.485 635 E N -0.132 119.711 120.200 -0.595 0.000 2.171 635 E HA -0.215 4.210 4.350 0.126 0.000 0.197 635 E C 1.873 178.165 176.600 -0.513 0.000 0.997 635 E CA 1.830 57.723 56.400 -0.845 0.000 0.810 635 E CB -0.438 28.491 29.700 -1.286 0.000 0.738 635 E HN 0.868 nan 8.360 nan 0.000 0.467 636 T N -1.255 112.980 114.554 -0.531 0.000 2.803 636 T HA -0.160 4.265 4.350 0.126 0.000 0.269 636 T C 1.894 176.409 174.700 -0.308 0.000 1.052 636 T CA 1.373 63.169 62.100 -0.507 0.000 1.136 636 T CB -0.598 67.682 68.868 -0.981 0.000 0.864 636 T HN 0.210 nan 8.240 nan 0.000 0.467 637 V N -2.033 117.733 119.914 -0.247 0.000 3.649 637 V HA 0.392 4.588 4.120 0.126 0.000 0.275 637 V C 0.797 176.854 176.094 -0.062 0.000 1.281 637 V CA -0.649 61.578 62.300 -0.122 0.000 1.143 637 V CB -0.967 30.808 31.823 -0.079 0.000 0.892 637 V HN 0.223 nan 8.190 nan 0.000 0.441 638 R N 1.661 122.120 120.500 -0.068 0.000 2.221 638 R HA 0.340 4.756 4.340 0.126 0.000 0.327 638 R C 1.573 177.956 176.300 0.138 0.000 1.033 638 R CA 0.529 56.660 56.100 0.052 0.000 0.887 638 R CB 1.375 31.725 30.300 0.083 0.000 1.057 638 R HN 0.563 nan 8.270 nan 0.000 0.455 639 T N -2.038 112.593 114.554 0.128 0.000 3.051 639 T HA -0.129 4.296 4.350 0.126 0.000 0.269 639 T C 1.017 175.815 174.700 0.164 0.000 1.127 639 T CA 1.087 63.265 62.100 0.129 0.000 1.107 639 T CB -0.087 68.850 68.868 0.115 0.000 0.898 639 T HN 0.603 nan 8.240 nan 0.000 0.517 640 D N -1.266 119.268 120.400 0.223 0.000 2.328 640 D HA 0.074 4.790 4.640 0.126 0.000 0.221 640 D C -0.241 176.201 176.300 0.237 0.000 1.072 640 D CA -0.580 53.546 54.000 0.211 0.000 0.850 640 D CB -0.360 40.536 40.800 0.160 0.000 0.922 640 D HN 0.483 nan 8.370 nan 0.000 0.516 641 W N 1.523 122.869 121.300 0.077 0.000 2.578 641 W HA 0.404 5.137 4.660 0.121 0.000 0.353 641 W C 0.737 177.229 176.519 -0.046 0.000 1.088 641 W CA -0.747 56.632 57.345 0.057 0.000 1.235 641 W CB 1.103 30.574 29.460 0.018 0.000 1.362 641 W HN -0.229 nan 8.180 nan 0.000 0.592 642 T N -0.626 113.943 114.554 0.025 0.000 2.860 642 T HA 0.152 4.577 4.350 0.126 0.000 0.299 642 T C -1.960 172.750 174.700 0.015 0.000 1.045 642 T CA -1.126 60.911 62.100 -0.104 0.000 1.071 642 T CB 1.221 69.968 68.868 -0.201 0.000 0.985 642 T HN 0.110 nan 8.240 nan 0.000 0.537 643 P HA -0.010 nan 4.420 nan 0.000 0.218 643 P C 1.681 178.989 177.300 0.014 0.000 1.149 643 P CA 0.226 63.323 63.100 -0.004 0.000 0.817 643 P CB -0.048 31.639 31.700 -0.021 0.000 0.785 644 L N -0.227 120.994 121.223 -0.003 0.000 2.012 644 L HA -0.176 4.239 4.340 0.126 0.000 0.210 644 L C 2.226 179.157 176.870 0.101 0.000 1.073 644 L CA 2.288 57.137 54.840 0.015 0.000 0.748 644 L CB -1.322 40.708 42.059 -0.048 0.000 0.891 644 L HN -0.105 nan 8.230 nan 0.000 0.431 645 A N -1.240 121.664 122.820 0.139 0.000 1.898 645 A HA -0.237 4.159 4.320 0.126 0.000 0.216 645 A C 2.180 179.849 177.584 0.141 0.000 1.181 645 A CA 1.769 53.948 52.037 0.237 0.000 0.620 645 A CB -0.600 18.655 19.000 0.426 0.000 0.819 645 A HN 0.662 nan 8.150 nan 0.000 0.442 646 Q N -0.435 119.397 119.800 0.054 0.000 2.020 646 Q HA -0.260 4.156 4.340 0.126 0.000 0.202 646 Q C 2.411 178.342 176.000 -0.114 0.000 0.982 646 Q CA 1.878 57.625 55.803 -0.094 0.000 0.838 646 Q CB -0.292 28.395 28.738 -0.085 0.000 0.899 646 Q HN 0.965 nan 8.270 nan 0.000 0.423 647 Q N -0.327 119.466 119.800 -0.011 0.000 2.230 647 Q HA -0.154 4.262 4.340 0.126 0.000 0.202 647 Q C 1.839 177.904 176.000 0.109 0.000 0.963 647 Q CA 0.975 56.785 55.803 0.012 0.000 0.866 647 Q CB -0.358 28.403 28.738 0.040 0.000 0.931 647 Q HN 0.322 nan 8.270 nan 0.000 0.452 648 F N 2.000 121.968 119.950 0.031 0.000 2.134 648 F HA -0.151 4.450 4.527 0.124 0.000 0.299 648 F C 2.454 178.303 175.800 0.083 0.000 1.097 648 F CA 1.986 60.063 58.000 0.128 0.000 1.264 648 F CB -0.308 38.742 39.000 0.083 0.000 1.001 648 F HN 0.150 nan 8.300 nan 0.000 0.479 649 Q N -0.077 119.628 119.800 -0.158 0.000 2.050 649 Q HA -0.242 4.173 4.340 0.126 0.000 0.202 649 Q C 2.273 178.055 176.000 -0.364 0.000 0.980 649 Q CA 1.997 57.578 55.803 -0.370 0.000 0.840 649 Q CB -0.217 28.218 28.738 -0.504 0.000 0.898 649 Q HN 0.582 nan 8.270 nan 0.000 0.424 650 Q N 0.004 119.594 119.800 -0.350 0.000 2.050 650 Q HA -0.194 4.222 4.340 0.126 0.000 0.202 650 Q C 1.965 177.937 176.000 -0.047 0.000 0.980 650 Q CA 1.674 57.380 55.803 -0.162 0.000 0.840 650 Q CB -0.014 28.613 28.738 -0.186 0.000 0.898 650 Q HN 0.515 nan 8.270 nan 0.000 0.424 651 E N 0.511 120.639 120.200 -0.120 0.000 2.106 651 E HA -0.180 4.245 4.350 0.126 0.000 0.192 651 E C 2.010 178.413 176.600 -0.327 0.000 0.984 651 E CA 0.709 56.966 56.400 -0.239 0.000 0.806 651 E CB -0.089 29.419 29.700 -0.321 0.000 0.750 651 E HN 0.151 nan 8.360 nan 0.000 0.458 652 L N 0.132 121.192 121.223 -0.272 0.000 2.093 652 L HA -0.141 4.274 4.340 0.126 0.000 0.208 652 L C 1.952 178.706 176.870 -0.193 0.000 1.085 652 L CA 1.642 56.334 54.840 -0.248 0.000 0.755 652 L CB -0.429 41.353 42.059 -0.461 0.000 0.904 652 L HN 0.021 nan 8.230 nan 0.000 0.435 653 Y N -1.106 118.980 120.300 -0.357 0.000 2.200 653 Y HA -0.170 4.457 4.550 0.129 0.000 0.290 653 Y C 2.352 177.953 175.900 -0.499 0.000 1.137 653 Y CA 1.402 59.190 58.100 -0.520 0.000 1.163 653 Y CB -0.686 37.579 38.460 -0.325 0.000 0.988 653 Y HN 0.206 nan 8.280 nan 0.000 0.518 654 L N 0.362 121.591 121.223 0.010 0.000 2.012 654 L HA -0.200 4.216 4.340 0.126 0.000 0.210 654 L C 2.327 179.218 176.870 0.035 0.000 1.073 654 L CA 1.754 56.659 54.840 0.108 0.000 0.748 654 L CB -0.654 41.454 42.059 0.082 0.000 0.891 654 L HN 0.046 nan 8.230 nan 0.000 0.431 655 R N -0.761 119.708 120.500 -0.052 0.000 2.081 655 R HA -0.106 4.309 4.340 0.126 0.000 0.235 655 R C 2.311 178.614 176.300 0.006 0.000 1.131 655 R CA 1.897 57.991 56.100 -0.010 0.000 0.960 655 R CB -0.377 29.923 30.300 -0.000 0.000 0.856 655 R HN 0.400 nan 8.270 nan 0.000 0.436 656 I N -0.129 120.361 120.570 -0.134 0.000 2.315 656 I HA -0.251 3.995 4.170 0.126 0.000 0.248 656 I C 1.626 177.702 176.117 -0.069 0.000 1.117 656 I CA 0.980 62.175 61.300 -0.174 0.000 1.404 656 I CB -0.178 37.549 38.000 -0.454 0.000 1.071 656 I HN 0.080 nan 8.210 nan 0.000 0.419 657 F N 1.183 121.090 119.950 -0.071 0.000 2.186 657 F HA -0.096 4.506 4.527 0.125 0.000 0.299 657 F C 2.310 178.106 175.800 -0.007 0.000 1.090 657 F CA 1.219 59.190 58.000 -0.049 0.000 1.307 657 F CB -0.623 38.355 39.000 -0.038 0.000 1.019 657 F HN -0.028 nan 8.300 nan 0.000 0.489 658 R N 0.258 120.878 120.500 0.200 0.000 2.334 658 R HA 0.071 4.487 4.340 0.126 0.000 0.220 658 R C -0.052 176.305 176.300 0.095 0.000 0.917 658 R CA 0.061 56.236 56.100 0.125 0.000 1.073 658 R CB -0.383 29.976 30.300 0.098 0.000 1.056 658 R HN 0.170 nan 8.270 nan 0.000 0.506 659 N N 1.985 120.744 118.700 0.099 0.000 2.727 659 N HA -0.184 4.632 4.740 0.126 0.000 0.249 659 N C -0.901 174.656 175.510 0.078 0.000 1.048 659 N CA 1.240 54.342 53.050 0.087 0.000 0.714 659 N CB -0.777 37.757 38.487 0.078 0.000 0.959 659 N HN 0.521 nan 8.380 nan 0.000 0.544 660 E N -0.130 120.123 120.200 0.087 0.000 2.264 660 E HA 0.502 4.927 4.350 0.126 0.000 0.260 660 E C -2.393 174.254 176.600 0.078 0.000 0.961 660 E CA -1.881 54.557 56.400 0.064 0.000 0.834 660 E CB 0.974 30.704 29.700 0.050 0.000 1.230 660 E HN -0.051 nan 8.360 nan 0.000 0.412 661 P HA -0.028 nan 4.420 nan 0.000 0.268 661 P C -0.825 176.456 177.300 -0.032 0.000 1.205 661 P CA 0.543 63.567 63.100 -0.127 0.000 0.771 661 P CB 0.119 31.761 31.700 -0.098 0.000 0.858 662 Y N -0.813 119.518 120.300 0.053 0.000 2.563 662 Y HA 0.294 4.920 4.550 0.126 0.000 0.273 662 Y C 1.679 177.670 175.900 0.151 0.000 1.034 662 Y CA -0.133 58.033 58.100 0.111 0.000 1.217 662 Y CB -0.781 37.716 38.460 0.062 0.000 1.380 662 Y HN 0.128 nan 8.280 nan 0.000 0.568 663 Q N 1.658 121.308 119.800 -0.249 0.000 2.096 663 Q HA -0.181 4.234 4.340 0.126 0.000 0.204 663 Q C 1.443 177.480 176.000 0.062 0.000 0.982 663 Q CA 2.316 58.102 55.803 -0.027 0.000 0.850 663 Q CB -0.054 28.584 28.738 -0.168 0.000 0.901 663 Q HN 0.672 nan 8.270 nan 0.000 0.422 664 E N -0.337 119.885 120.200 0.036 0.000 2.106 664 E HA -0.200 4.225 4.350 0.126 0.000 0.192 664 E C 1.750 178.416 176.600 0.109 0.000 0.984 664 E CA 0.868 57.300 56.400 0.054 0.000 0.806 664 E CB -0.128 29.599 29.700 0.044 0.000 0.750 664 E HN 0.356 nan 8.360 nan 0.000 0.458 665 Y N 1.275 121.624 120.300 0.082 0.000 2.181 665 Y HA -0.232 4.393 4.550 0.125 0.000 0.288 665 Y C 2.039 178.047 175.900 0.180 0.000 1.146 665 Y CA 1.100 59.272 58.100 0.121 0.000 1.164 665 Y CB -0.340 38.200 38.460 0.134 0.000 0.982 665 Y HN -0.200 nan 8.280 nan 0.000 0.515 666 V N 1.406 121.348 119.914 0.047 0.000 2.295 666 V HA -0.302 3.894 4.120 0.126 0.000 0.246 666 V C 2.441 178.492 176.094 -0.073 0.000 1.049 666 V CA 2.346 64.668 62.300 0.037 0.000 1.024 666 V CB -0.638 31.334 31.823 0.249 0.000 0.648 666 V HN 0.366 nan 8.190 nan 0.000 0.447 667 R N -0.184 120.301 120.500 -0.025 0.000 2.096 667 R HA -0.182 4.234 4.340 0.126 0.000 0.235 667 R C 2.323 178.571 176.300 -0.086 0.000 1.127 667 R CA 1.563 57.636 56.100 -0.045 0.000 0.968 667 R CB -0.315 29.976 30.300 -0.016 0.000 0.861 667 R HN 0.609 nan 8.270 nan 0.000 0.440 668 E N 0.168 120.310 120.200 -0.096 0.000 2.072 668 E HA -0.134 4.292 4.350 0.126 0.000 0.191 668 E C 1.548 178.051 176.600 -0.162 0.000 0.985 668 E CA 1.397 57.736 56.400 -0.101 0.000 0.801 668 E CB 0.176 29.845 29.700 -0.053 0.000 0.750 668 E HN 0.203 nan 8.360 nan 0.000 0.452 669 T N 1.200 115.587 114.554 -0.278 0.000 2.708 669 T HA -0.128 4.298 4.350 0.126 0.000 0.266 669 T C 1.885 176.430 174.700 -0.259 0.000 1.037 669 T CA 1.204 63.121 62.100 -0.305 0.000 1.146 669 T CB -0.159 68.429 68.868 -0.466 0.000 0.865 669 T HN 0.174 nan 8.240 nan 0.000 0.435 670 I N 1.212 121.634 120.570 -0.246 0.000 2.208 670 I HA -0.191 4.055 4.170 0.126 0.000 0.245 670 I C 2.348 178.370 176.117 -0.159 0.000 1.097 670 I CA 1.237 62.419 61.300 -0.197 0.000 1.363 670 I CB -0.456 37.457 38.000 -0.146 0.000 1.051 670 I HN 0.154 nan 8.210 nan 0.000 0.413 671 D N 1.392 121.711 120.400 -0.134 0.000 2.104 671 D HA -0.185 4.531 4.640 0.126 0.000 0.194 671 D C 2.431 178.643 176.300 -0.145 0.000 0.994 671 D CA 2.069 55.998 54.000 -0.117 0.000 0.830 671 D CB -0.190 40.557 40.800 -0.087 0.000 0.959 671 D HN 0.335 nan 8.370 nan 0.000 0.452 672 K N 0.837 121.148 120.400 -0.148 0.000 2.097 672 K HA -0.086 4.310 4.320 0.126 0.000 0.206 672 K C 2.091 178.555 176.600 -0.226 0.000 1.049 672 K CA 1.294 57.487 56.287 -0.156 0.000 0.933 672 K CB -1.149 31.279 32.500 -0.120 0.000 0.717 672 K HN 0.207 nan 8.250 nan 0.000 0.442 673 L N 0.108 121.185 121.223 -0.244 0.000 2.017 673 L HA -0.086 4.330 4.340 0.126 0.000 0.208 673 L C 2.368 178.883 176.870 -0.592 0.000 1.073 673 L CA 1.999 56.646 54.840 -0.321 0.000 0.745 673 L CB -0.313 41.622 42.059 -0.206 0.000 0.894 673 L HN 0.330 nan 8.230 nan 0.000 0.432 674 M N -0.224 119.135 119.600 -0.402 0.000 2.296 674 M HA -0.013 4.542 4.480 0.126 0.000 0.265 674 M C 2.181 178.212 176.300 -0.447 0.000 1.064 674 M CA 1.404 56.461 55.300 -0.405 0.000 1.109 674 M CB -1.740 30.769 32.600 -0.151 0.000 1.396 674 M HN 0.490 nan 8.290 nan 0.000 0.430 675 A N -0.342 122.267 122.820 -0.351 0.000 2.238 675 A HA 0.408 4.804 4.320 0.126 0.000 0.208 675 A C 1.662 179.089 177.584 -0.262 0.000 1.177 675 A CA 0.811 52.707 52.037 -0.235 0.000 0.804 675 A CB -0.850 18.059 19.000 -0.151 0.000 0.823 675 A HN 0.641 nan 8.150 nan 0.000 0.482 676 G N -2.692 105.806 108.800 -0.503 0.000 2.160 676 G HA2 -0.169 3.866 3.960 0.126 0.000 0.251 676 G HA3 -0.169 3.866 3.960 0.126 0.000 0.251 676 G C 0.547 175.359 174.900 -0.146 0.000 1.008 676 G CA 1.280 46.207 45.100 -0.290 0.000 0.724 676 G HN 1.147 nan 8.290 nan 0.000 0.514 677 E N -0.598 119.492 120.200 -0.183 0.000 2.474 677 E HA 0.580 5.006 4.350 0.126 0.000 0.194 677 E C 1.857 178.400 176.600 -0.095 0.000 1.041 677 E CA 0.899 57.233 56.400 -0.110 0.000 0.874 677 E CB -0.041 29.597 29.700 -0.103 0.000 0.914 677 E HN 0.823 nan 8.360 nan 0.000 0.498 678 L N 0.381 121.531 121.223 -0.122 0.000 3.110 678 L HA 0.250 4.665 4.340 0.126 0.000 0.266 678 L C 0.606 177.423 176.870 -0.090 0.000 1.257 678 L CA -0.264 54.517 54.840 -0.098 0.000 1.038 678 L CB 0.712 42.700 42.059 -0.118 0.000 1.395 678 L HN -0.004 nan 8.230 nan 0.000 0.566 679 D N 1.822 122.193 120.400 -0.049 0.000 2.158 679 D HA -0.202 4.514 4.640 0.126 0.000 0.197 679 D C 2.213 178.474 176.300 -0.066 0.000 0.995 679 D CA 1.562 55.545 54.000 -0.029 0.000 0.846 679 D CB 0.234 41.050 40.800 0.026 0.000 0.941 679 D HN 0.387 nan 8.370 nan 0.000 0.456 680 A N 0.317 123.106 122.820 -0.051 0.000 2.125 680 A HA -0.128 4.268 4.320 0.126 0.000 0.219 680 A C 1.833 179.377 177.584 -0.067 0.000 1.156 680 A CA 0.885 52.894 52.037 -0.047 0.000 0.671 680 A CB -0.261 18.721 19.000 -0.030 0.000 0.794 680 A HN 0.161 nan 8.150 nan 0.000 0.459 681 R N -0.627 119.817 120.500 -0.093 0.000 2.334 681 R HA 0.293 4.709 4.340 0.126 0.000 0.220 681 R C 0.167 176.362 176.300 -0.175 0.000 0.917 681 R CA 0.014 56.051 56.100 -0.104 0.000 1.073 681 R CB -0.021 30.229 30.300 -0.084 0.000 1.056 681 R HN 0.435 nan 8.270 nan 0.000 0.506 682 L N 0.870 121.949 121.223 -0.241 0.000 2.741 682 L HA 0.234 4.649 4.340 0.126 0.000 0.237 682 L C -0.206 176.540 176.870 -0.206 0.000 1.178 682 L CA -0.239 54.363 54.840 -0.398 0.000 0.973 682 L CB 0.720 42.314 42.059 -0.776 0.000 1.255 682 L HN -0.132 nan 8.230 nan 0.000 0.498 683 V N -0.518 119.301 119.914 -0.158 0.000 2.432 683 V HA 0.180 4.375 4.120 0.126 0.000 0.275 683 V C -0.301 175.671 176.094 -0.203 0.000 1.043 683 V CA -0.506 61.725 62.300 -0.115 0.000 0.925 683 V CB 0.562 32.356 31.823 -0.049 0.000 0.985 683 V HN 0.045 nan 8.190 nan 0.000 0.466 684 Y N 4.014 124.164 120.300 -0.249 0.000 2.308 684 Y HA 0.560 5.183 4.550 0.123 0.000 0.329 684 Y C 0.603 176.309 175.900 -0.323 0.000 1.111 684 Y CA -0.243 57.598 58.100 -0.433 0.000 1.179 684 Y CB 1.005 38.785 38.460 -1.133 0.000 1.201 684 Y HN 0.496 nan 8.280 nan 0.000 0.483 685 R N 4.159 124.687 120.500 0.047 0.000 2.502 685 R HA 0.500 4.916 4.340 0.126 0.000 0.300 685 R C -1.609 174.789 176.300 0.164 0.000 0.984 685 R CA -0.751 55.422 56.100 0.122 0.000 0.882 685 R CB 1.167 31.531 30.300 0.107 0.000 1.180 685 R HN 0.800 nan 8.270 nan 0.000 0.444 686 K N 3.310 123.839 120.400 0.215 0.000 2.523 686 K HA 0.366 4.761 4.320 0.126 0.000 0.257 686 K C -0.938 175.780 176.600 0.198 0.000 0.932 686 K CA -0.781 55.597 56.287 0.152 0.000 0.812 686 K CB 1.862 34.380 32.500 0.029 0.000 1.326 686 K HN 0.532 nan 8.250 nan 0.000 0.433 687 R N 2.300 122.900 120.500 0.167 0.000 2.594 687 R HA 0.268 4.684 4.340 0.126 0.000 0.272 687 R C -0.445 176.031 176.300 0.293 0.000 1.074 687 R CA -0.316 55.910 56.100 0.210 0.000 1.105 687 R CB 0.380 30.781 30.300 0.168 0.000 1.008 687 R HN 0.367 nan 8.270 nan 0.000 0.472 688 L N 3.481 124.876 121.223 0.288 0.000 2.277 688 L HA 0.343 4.759 4.340 0.126 0.000 0.284 688 L C 1.285 178.323 176.870 0.280 0.000 1.028 688 L CA -0.110 54.917 54.840 0.312 0.000 0.835 688 L CB 1.264 43.458 42.059 0.226 0.000 1.215 688 L HN 0.505 nan 8.230 nan 0.000 0.425 689 R N 1.935 122.617 120.500 0.303 0.000 2.276 689 R HA 0.194 4.609 4.340 0.126 0.000 0.196 689 R C 0.132 176.500 176.300 0.114 0.000 0.961 689 R CA 0.245 56.454 56.100 0.183 0.000 1.024 689 R CB 0.282 30.673 30.300 0.153 0.000 0.940 689 R HN 0.523 nan 8.270 nan 0.000 0.480 690 R N 0.729 121.308 120.500 0.131 0.000 2.778 690 R HA 0.360 4.776 4.340 0.126 0.000 0.277 690 R C -2.725 173.594 176.300 0.032 0.000 0.977 690 R CA -2.341 53.693 56.100 -0.109 0.000 0.950 690 R CB 1.155 31.049 30.300 -0.676 0.000 1.165 690 R HN -0.193 nan 8.270 nan 0.000 0.474 691 P HA -0.039 nan 4.420 nan 0.000 0.268 691 P C 0.483 177.854 177.300 0.118 0.000 1.205 691 P CA -0.158 62.971 63.100 0.049 0.000 0.771 691 P CB 0.542 32.240 31.700 -0.003 0.000 0.858 692 L N 3.691 125.026 121.223 0.186 0.000 2.043 692 L HA -0.261 4.154 4.340 0.126 0.000 0.212 692 L C 2.196 179.203 176.870 0.229 0.000 1.075 692 L CA 2.557 57.544 54.840 0.244 0.000 0.752 692 L CB -1.371 40.765 42.059 0.128 0.000 0.891 692 L HN 0.427 nan 8.230 nan 0.000 0.432 693 S N -1.710 114.054 115.700 0.106 0.000 2.399 693 S HA -0.193 4.352 4.470 0.126 0.000 0.231 693 S C 1.719 176.345 174.600 0.043 0.000 1.022 693 S CA 1.132 59.368 58.200 0.060 0.000 0.983 693 S CB -0.679 62.535 63.200 0.023 0.000 0.803 693 S HN 0.599 nan 8.310 nan 0.000 0.480 694 E N 0.273 120.466 120.200 -0.012 0.000 2.338 694 E HA -0.051 4.375 4.350 0.126 0.000 0.197 694 E C -0.530 175.998 176.600 -0.121 0.000 1.007 694 E CA 0.396 56.733 56.400 -0.106 0.000 0.849 694 E CB -0.194 29.383 29.700 -0.206 0.000 0.774 694 E HN 0.701 nan 8.360 nan 0.000 0.506 695 Y N 1.110 121.388 120.300 -0.036 0.000 2.587 695 Y HA -0.010 4.614 4.550 0.124 0.000 0.344 695 Y C 1.477 177.352 175.900 -0.041 0.000 1.061 695 Y CA 0.076 58.151 58.100 -0.042 0.000 1.370 695 Y CB 0.513 38.929 38.460 -0.073 0.000 1.163 695 Y HN -0.085 nan 8.280 nan 0.000 0.527 696 Q N 2.242 122.092 119.800 0.084 0.000 2.245 696 Q HA 0.209 4.625 4.340 0.126 0.000 0.250 696 Q C 0.783 176.804 176.000 0.036 0.000 0.830 696 Q CA 0.082 55.910 55.803 0.042 0.000 0.950 696 Q CB 0.793 29.538 28.738 0.012 0.000 1.124 696 Q HN 0.686 nan 8.270 nan 0.000 0.502 697 R N 1.481 122.010 120.500 0.049 0.000 2.445 697 R HA 0.427 4.842 4.340 0.126 0.000 0.308 697 R C 0.133 176.458 176.300 0.041 0.000 0.961 697 R CA -0.419 55.702 56.100 0.036 0.000 0.862 697 R CB -0.432 nan 30.300 nan 0.000 1.144 697 R HN 0.221 nan 8.270 nan 0.000 0.447 698 N N 0.966 119.680 118.700 0.022 0.000 2.705 698 N HA -0.134 4.681 4.740 0.126 0.000 0.255 698 N C -0.154 175.364 175.510 0.013 0.000 1.008 698 N CA 0.992 54.052 53.050 0.017 0.000 0.742 698 N CB -1.316 37.187 38.487 0.026 0.000 0.906 698 N HN 0.615 nan 8.380 nan 0.000 0.541 699 V N 0.812 120.721 119.914 -0.008 0.000 2.583 699 V HA -0.019 4.177 4.120 0.126 0.000 0.302 699 V C -1.099 174.937 176.094 -0.097 0.000 1.033 699 V CA -0.485 61.783 62.300 -0.054 0.000 1.194 699 V CB -0.364 31.404 31.823 -0.093 0.000 0.879 699 V HN 0.255 nan 8.190 nan 0.000 0.482 700 P HA 0.236 nan 4.420 nan 0.000 0.274 700 P C -1.868 175.300 177.300 -0.221 0.000 1.231 700 P CA -1.910 61.138 63.100 -0.086 0.000 0.790 700 P CB 0.234 31.970 31.700 0.060 0.000 0.951 701 P HA -0.239 nan 4.420 nan 0.000 0.216 701 P C 1.431 178.293 177.300 -0.731 0.000 1.153 701 P CA 1.880 64.710 63.100 -0.450 0.000 0.858 701 P CB -0.490 30.985 31.700 -0.374 0.000 0.789 702 H N -0.382 118.180 119.070 -0.846 0.000 2.389 702 H HA -0.005 4.625 4.556 0.123 0.000 0.299 702 H C 1.781 176.739 175.328 -0.617 0.000 1.081 702 H CA 0.918 56.396 56.048 -0.951 0.000 1.345 702 H CB -1.536 27.962 29.762 -0.440 0.000 1.393 702 H HN -0.033 nan 8.280 nan 0.000 0.520 703 V N 1.450 120.739 119.914 -1.042 0.000 2.358 703 V HA -0.159 4.036 4.120 0.126 0.000 0.246 703 V C 3.050 178.809 176.094 -0.558 0.000 1.047 703 V CA 1.744 63.503 62.300 -0.903 0.000 1.035 703 V CB -0.637 30.525 31.823 -1.102 0.000 0.658 703 V HN 0.311 nan 8.190 nan 0.000 0.452 704 R N -0.082 120.124 120.500 -0.489 0.000 2.081 704 R HA -0.166 4.249 4.340 0.126 0.000 0.235 704 R C 2.341 178.422 176.300 -0.365 0.000 1.131 704 R CA 1.615 57.493 56.100 -0.370 0.000 0.960 704 R CB -0.397 29.687 30.300 -0.360 0.000 0.856 704 R HN 0.523 nan 8.270 nan 0.000 0.436 705 A N 0.522 123.069 122.820 -0.456 0.000 1.898 705 A HA -0.096 4.300 4.320 0.126 0.000 0.216 705 A C 2.294 179.677 177.584 -0.334 0.000 1.181 705 A CA 1.631 53.440 52.037 -0.380 0.000 0.620 705 A CB -0.617 18.115 19.000 -0.446 0.000 0.819 705 A HN 0.478 nan 8.150 nan 0.000 0.442 706 A N -0.136 122.424 122.820 -0.434 0.000 1.902 706 A HA -0.160 4.235 4.320 0.126 0.000 0.217 706 A C 2.236 179.678 177.584 -0.237 0.000 1.181 706 A CA 1.531 53.258 52.037 -0.517 0.000 0.623 706 A CB -0.473 18.218 19.000 -0.515 0.000 0.818 706 A HN 0.548 nan 8.150 nan 0.000 0.443 707 R N -0.630 119.748 120.500 -0.203 0.000 2.081 707 R HA -0.055 4.360 4.340 0.126 0.000 0.235 707 R C 2.058 178.294 176.300 -0.105 0.000 1.131 707 R CA 1.455 57.484 56.100 -0.118 0.000 0.960 707 R CB -0.527 29.690 30.300 -0.137 0.000 0.856 707 R HN 0.501 nan 8.270 nan 0.000 0.436 708 L N 0.073 121.212 121.223 -0.140 0.000 2.046 708 L HA -0.166 4.250 4.340 0.126 0.000 0.208 708 L C 2.676 179.483 176.870 -0.106 0.000 1.077 708 L CA 1.202 55.968 54.840 -0.125 0.000 0.747 708 L CB -0.537 41.443 42.059 -0.131 0.000 0.896 708 L HN 0.265 nan 8.230 nan 0.000 0.432 709 A N -0.403 122.393 122.820 -0.040 0.000 1.902 709 A HA -0.243 4.152 4.320 0.126 0.000 0.217 709 A C 1.920 179.537 177.584 0.055 0.000 1.181 709 A CA 2.037 54.137 52.037 0.104 0.000 0.623 709 A CB -0.492 18.664 19.000 0.260 0.000 0.818 709 A HN 0.340 nan 8.150 nan 0.000 0.443 710 D N -0.706 119.761 120.400 0.111 0.000 2.312 710 D HA -0.042 4.673 4.640 0.126 0.000 0.211 710 D C 1.855 178.126 176.300 -0.049 0.000 0.964 710 D CA 0.742 54.790 54.000 0.080 0.000 0.877 710 D CB -0.169 40.715 40.800 0.140 0.000 0.924 710 D HN 0.640 nan 8.370 nan 0.000 0.515 711 E N 0.411 120.553 120.200 -0.098 0.000 2.072 711 E HA -0.126 4.300 4.350 0.126 0.000 0.191 711 E C 1.854 178.325 176.600 -0.216 0.000 0.985 711 E CA 0.655 56.976 56.400 -0.132 0.000 0.801 711 E CB 0.222 29.843 29.700 -0.131 0.000 0.750 711 E HN 0.230 nan 8.360 nan 0.000 0.452 712 E N 0.636 120.620 120.200 -0.361 0.000 2.072 712 E HA -0.146 4.280 4.350 0.126 0.000 0.191 712 E C 1.760 178.042 176.600 -0.531 0.000 0.985 712 E CA 0.879 56.906 56.400 -0.623 0.000 0.801 712 E CB -0.341 28.529 29.700 -1.383 0.000 0.750 712 E HN 0.279 nan 8.360 nan 0.000 0.452 713 N N 0.939 119.409 118.700 -0.383 0.000 2.084 713 N HA -0.221 4.594 4.740 0.126 0.000 0.190 713 N C 1.931 177.351 175.510 -0.150 0.000 1.030 713 N CA 1.453 54.377 53.050 -0.210 0.000 0.849 713 N CB -0.146 38.313 38.487 -0.046 0.000 1.012 713 N HN 0.033 nan 8.380 nan 0.000 0.423 714 Q N 1.471 121.200 119.800 -0.118 0.000 2.077 714 Q HA -0.136 4.280 4.340 0.126 0.000 0.206 714 Q C 1.487 177.432 176.000 -0.092 0.000 0.989 714 Q CA 1.726 57.480 55.803 -0.081 0.000 0.853 714 Q CB 0.050 28.748 28.738 -0.067 0.000 0.907 714 Q HN 0.229 nan 8.270 nan 0.000 0.418 715 K N -0.565 119.759 120.400 -0.126 0.000 2.147 715 K HA -0.083 4.313 4.320 0.126 0.000 0.205 715 K C 2.034 178.568 176.600 -0.110 0.000 1.049 715 K CA 1.319 57.538 56.287 -0.115 0.000 0.936 715 K CB -0.014 32.404 32.500 -0.137 0.000 0.722 715 K HN 0.128 nan 8.250 nan 0.000 0.446 716 R N -0.630 119.784 120.500 -0.143 0.000 2.299 716 R HA 0.034 4.450 4.340 0.126 0.000 0.197 716 R C 0.839 177.090 176.300 -0.083 0.000 0.971 716 R CA 0.562 56.586 56.100 -0.127 0.000 1.030 716 R CB 0.435 30.619 30.300 -0.192 0.000 0.932 716 R HN 0.364 nan 8.270 nan 0.000 0.477 717 G N 1.448 110.209 108.800 -0.064 0.000 2.143 717 G HA2 -0.327 3.708 3.960 0.126 0.000 0.248 717 G HA3 -0.327 3.708 3.960 0.126 0.000 0.248 717 G C -0.112 174.780 174.900 -0.015 0.000 0.991 717 G CA -0.063 45.022 45.100 -0.026 0.000 0.689 717 G HN 0.261 nan 8.290 nan 0.000 0.522 718 R N 0.845 121.322 120.500 -0.039 0.000 2.457 718 R HA 0.468 4.884 4.340 0.126 0.000 0.284 718 R C -2.181 174.131 176.300 0.020 0.000 1.024 718 R CA -1.778 54.320 56.100 -0.003 0.000 1.025 718 R CB 1.012 31.276 30.300 -0.060 0.000 1.063 718 R HN 0.103 nan 8.270 nan 0.000 0.493 719 P HA -0.040 nan 4.420 nan 0.000 0.265 719 P C -0.459 176.861 177.300 0.035 0.000 1.193 719 P CA -0.160 62.962 63.100 0.038 0.000 0.765 719 P CB 0.458 32.178 31.700 0.034 0.000 0.823 720 L N 3.603 124.834 121.223 0.014 0.000 2.456 720 L HA 0.033 4.448 4.340 0.126 0.000 0.272 720 L C 1.739 178.575 176.870 -0.056 0.000 1.189 720 L CA 0.873 55.714 54.840 0.003 0.000 0.846 720 L CB -0.515 41.553 42.059 0.014 0.000 1.111 720 L HN 0.514 nan 8.230 nan 0.000 0.475 721 Q N 2.021 121.715 119.800 -0.177 0.000 2.322 721 Q HA 0.080 4.496 4.340 0.126 0.000 0.250 721 Q C 0.035 175.656 176.000 -0.632 0.000 0.853 721 Q CA 0.449 55.972 55.803 -0.467 0.000 0.951 721 Q CB 0.586 28.862 28.738 -0.769 0.000 1.114 721 Q HN 0.626 nan 8.270 nan 0.000 0.523 722 Y N 0.101 120.446 120.300 0.074 0.000 2.612 722 Y HA 0.201 4.824 4.550 0.120 0.000 0.250 722 Y C 1.742 177.672 175.900 0.050 0.000 1.175 722 Y CA -0.326 57.810 58.100 0.061 0.000 1.205 722 Y CB 0.687 39.173 38.460 0.043 0.000 1.201 722 Y HN -0.020 nan 8.280 nan 0.000 0.532 723 Q N 0.528 120.395 119.800 0.113 0.000 2.079 723 Q HA -0.110 4.305 4.340 0.126 0.000 0.200 723 Q C 0.303 176.353 176.000 0.084 0.000 0.974 723 Q CA 1.187 57.044 55.803 0.089 0.000 0.840 723 Q CB -0.111 28.657 28.738 0.050 0.000 0.898 723 Q HN 0.325 nan 8.270 nan 0.000 0.430 724 N N 0.050 118.792 118.700 0.070 0.000 2.813 724 N HA 0.199 5.015 4.740 0.126 0.000 0.282 724 N C -1.454 174.101 175.510 0.075 0.000 1.748 724 N CA -0.112 52.976 53.050 0.062 0.000 0.860 724 N CB 0.211 38.719 38.487 0.035 0.000 1.204 724 N HN 0.079 nan 8.380 nan 0.000 0.490 725 R N -0.867 119.703 120.500 0.117 0.000 1.344 725 R HA 0.097 4.512 4.340 0.126 0.000 0.438 725 R C -0.178 176.208 176.300 0.143 0.000 1.330 725 R CA 0.635 56.817 56.100 0.136 0.000 1.237 725 R CB -1.169 29.190 30.300 0.098 0.000 3.375 725 R HN 0.611 nan 8.270 nan 0.000 0.516 726 G N -0.061 108.848 108.800 0.181 0.000 2.333 726 G HA2 0.402 4.438 3.960 0.126 0.000 0.288 726 G HA3 0.402 4.438 3.960 0.126 0.000 0.288 726 G C -1.598 173.452 174.900 0.249 0.000 1.286 726 G CA -0.273 44.944 45.100 0.195 0.000 0.865 726 G HN 0.562 nan 8.290 nan 0.000 0.506 727 T N 0.350 115.075 114.554 0.285 0.000 2.848 727 T HA 0.597 5.023 4.350 0.126 0.000 0.285 727 T C -1.041 173.873 174.700 0.356 0.000 0.995 727 T CA -0.132 62.137 62.100 0.281 0.000 0.970 727 T CB 1.683 70.684 68.868 0.223 0.000 0.976 727 T HN 0.843 nan 8.240 nan 0.000 0.441 728 I N 2.797 123.531 120.570 0.273 0.000 2.436 728 I HA 0.458 4.704 4.170 0.126 0.000 0.289 728 I C -0.696 175.567 176.117 0.243 0.000 1.010 728 I CA -0.617 60.790 61.300 0.179 0.000 1.098 728 I CB 1.068 38.987 38.000 -0.135 0.000 1.266 728 I HN 0.389 nan 8.210 nan 0.000 0.434 729 K N 7.726 128.252 120.400 0.209 0.000 2.227 729 K HA 0.446 4.842 4.320 0.126 0.000 0.280 729 K C -1.495 175.248 176.600 0.237 0.000 1.041 729 K CA -0.379 56.022 56.287 0.189 0.000 0.905 729 K CB 1.027 33.605 32.500 0.130 0.000 1.068 729 K HN 0.629 nan 8.250 nan 0.000 0.470 730 Y N -0.788 119.574 120.300 0.103 0.000 2.615 730 Y HA 0.661 5.285 4.550 0.123 0.000 0.341 730 Y C -1.013 175.013 175.900 0.209 0.000 1.089 730 Y CA -1.437 56.712 58.100 0.083 0.000 1.049 730 Y CB 0.979 39.430 38.460 -0.015 0.000 1.296 730 Y HN 0.232 nan 8.280 nan 0.000 0.470 731 V N -2.046 118.033 119.914 0.275 0.000 3.040 731 V HA 0.554 4.750 4.120 0.126 0.000 0.312 731 V C -1.523 174.738 176.094 0.277 0.000 1.115 731 V CA -1.001 61.493 62.300 0.323 0.000 0.998 731 V CB 2.462 34.421 31.823 0.226 0.000 1.042 731 V HN 1.005 nan 8.190 nan 0.000 0.433 732 W N 3.268 124.679 121.300 0.184 0.000 2.314 732 W HA 0.672 5.407 4.660 0.124 0.000 0.310 732 W C 0.063 176.545 176.519 -0.062 0.000 1.075 732 W CA 0.451 57.697 57.345 -0.164 0.000 1.253 732 W CB 1.746 30.659 29.460 -0.910 0.000 1.238 732 W HN 1.079 nan 8.180 nan 0.000 0.440 733 T N -0.088 114.466 114.554 -0.001 0.000 2.905 733 T HA 0.254 4.679 4.350 0.126 0.000 0.283 733 T C 1.379 176.118 174.700 0.065 0.000 1.031 733 T CA 0.145 62.267 62.100 0.037 0.000 1.002 733 T CB 1.537 70.384 68.868 -0.034 0.000 1.200 733 T HN 0.357 nan 8.240 nan 0.000 0.560 734 T N -1.105 113.469 114.554 0.033 0.000 2.929 734 T HA -0.078 4.348 4.350 0.126 0.000 0.271 734 T C 1.114 175.825 174.700 0.020 0.000 1.085 734 T CA 1.377 63.502 62.100 0.042 0.000 1.125 734 T CB -0.837 68.042 68.868 0.018 0.000 0.874 734 T HN 0.723 nan 8.240 nan 0.000 0.494 735 N N 1.004 119.685 118.700 -0.032 0.000 2.251 735 N HA 0.485 5.301 4.740 0.126 0.000 0.217 735 N C 0.623 176.046 175.510 -0.144 0.000 1.124 735 N CA -0.105 52.906 53.050 -0.064 0.000 0.843 735 N CB 0.691 39.140 38.487 -0.064 0.000 1.024 735 N HN 0.664 nan 8.380 nan 0.000 0.501 736 G N 1.539 110.211 108.800 -0.214 0.000 2.549 736 G HA2 -0.172 3.864 3.960 0.126 0.000 0.404 736 G HA3 -0.172 3.864 3.960 0.126 0.000 0.404 736 G C -3.034 171.350 174.900 -0.859 0.000 1.292 736 G CA -1.191 43.579 45.100 -0.550 0.000 0.935 736 G HN -0.063 nan 8.290 nan 0.000 0.512 737 P HA 0.325 nan 4.420 nan 0.000 0.267 737 P C -0.521 176.524 177.300 -0.425 0.000 1.205 737 P CA 0.674 63.255 63.100 -0.864 0.000 0.765 737 P CB 0.884 31.981 31.700 -1.005 0.000 0.828 738 E N 4.160 124.242 120.200 -0.195 0.000 2.293 738 E HA 0.358 4.783 4.350 0.126 0.000 0.270 738 E C -2.490 174.122 176.600 0.020 0.000 0.879 738 E CA -2.620 53.722 56.400 -0.097 0.000 0.756 738 E CB 2.147 31.809 29.700 -0.062 0.000 1.208 738 E HN 0.360 nan 8.360 nan 0.000 0.428 739 P HA -0.042 nan 4.420 nan 0.000 0.268 739 P C 0.499 177.866 177.300 0.112 0.000 1.205 739 P CA -0.121 63.032 63.100 0.089 0.000 0.771 739 P CB 0.969 32.744 31.700 0.124 0.000 0.858 740 L N 3.281 124.572 121.223 0.113 0.000 2.056 740 L HA -0.140 4.276 4.340 0.126 0.000 0.207 740 L C 1.642 178.536 176.870 0.040 0.000 1.078 740 L CA 2.057 56.944 54.840 0.079 0.000 0.749 740 L CB -1.093 41.011 42.059 0.075 0.000 0.901 740 L HN 0.200 nan 8.230 nan 0.000 0.433 741 D N -1.189 119.223 120.400 0.020 0.000 2.218 741 D HA -0.177 4.539 4.640 0.126 0.000 0.204 741 D C 0.429 176.488 176.300 -0.401 0.000 0.976 741 D CA 1.402 55.319 54.000 -0.138 0.000 0.853 741 D CB -0.003 40.744 40.800 -0.088 0.000 0.939 741 D HN 0.449 nan 8.370 nan 0.000 0.481 742 Y N 0.233 120.590 120.300 0.095 0.000 2.634 742 Y HA 0.217 4.844 4.550 0.128 0.000 0.292 742 Y C 0.364 176.271 175.900 0.011 0.000 0.996 742 Y CA -0.719 57.400 58.100 0.032 0.000 1.165 742 Y CB -0.156 38.300 38.460 -0.007 0.000 1.194 742 Y HN -0.196 nan 8.280 nan 0.000 0.585 743 Q N 1.361 121.227 119.800 0.111 0.000 2.337 743 Q HA 0.152 4.568 4.340 0.126 0.000 0.270 743 Q C 0.733 176.766 176.000 0.055 0.000 1.002 743 Q CA 0.365 56.210 55.803 0.070 0.000 0.888 743 Q CB 0.805 29.572 28.738 0.049 0.000 1.222 743 Q HN 0.527 nan 8.270 nan 0.000 0.400 744 R N 1.483 122.000 120.500 0.029 0.000 2.435 744 R HA 0.225 4.641 4.340 0.126 0.000 0.221 744 R C -0.124 176.177 176.300 0.001 0.000 0.885 744 R CA 0.056 56.165 56.100 0.015 0.000 1.018 744 R CB 1.075 31.377 30.300 0.003 0.000 1.259 744 R HN 0.471 nan 8.270 nan 0.000 0.597 745 S N 1.592 117.288 115.700 -0.007 0.000 2.607 745 S HA 0.487 5.032 4.470 0.126 0.000 0.303 745 S C -2.660 171.933 174.600 -0.011 0.000 1.086 745 S CA -1.434 56.758 58.200 -0.013 0.000 0.995 745 S CB 2.175 65.358 63.200 -0.028 0.000 1.084 745 S HN -0.118 nan 8.310 nan 0.000 0.507 746 P HA 0.199 nan 4.420 nan 0.000 0.271 746 P C -0.726 176.534 177.300 -0.067 0.000 1.218 746 P CA -0.336 62.745 63.100 -0.030 0.000 0.780 746 P CB 0.230 31.919 31.700 -0.020 0.000 0.901 747 L N 2.074 123.210 121.223 -0.146 0.000 2.456 747 L HA 0.096 4.511 4.340 0.126 0.000 0.272 747 L C 0.988 177.657 176.870 -0.335 0.000 1.189 747 L CA 0.253 54.960 54.840 -0.221 0.000 0.846 747 L CB -0.028 41.796 42.059 -0.392 0.000 1.111 747 L HN 0.356 nan 8.230 nan 0.000 0.475 748 D N 1.574 121.943 120.400 -0.051 0.000 2.456 748 D HA 0.100 4.815 4.640 0.126 0.000 0.219 748 D C 0.472 176.855 176.300 0.139 0.000 1.126 748 D CA -0.253 53.760 54.000 0.021 0.000 0.890 748 D CB 0.563 41.459 40.800 0.159 0.000 1.025 748 D HN 0.262 nan 8.370 nan 0.000 0.511 749 Y N 1.837 122.289 120.300 0.254 0.000 2.293 749 Y HA -0.069 4.556 4.550 0.125 0.000 0.291 749 Y C 2.179 178.176 175.900 0.161 0.000 1.137 749 Y CA 0.747 58.984 58.100 0.230 0.000 1.202 749 Y CB -0.262 38.256 38.460 0.096 0.000 0.990 749 Y HN 0.420 nan 8.280 nan 0.000 0.537 750 E N -0.568 119.764 120.200 0.219 0.000 2.150 750 E HA -0.219 4.207 4.350 0.126 0.000 0.193 750 E C 2.260 178.876 176.600 0.026 0.000 0.985 750 E CA 1.278 57.738 56.400 0.100 0.000 0.814 750 E CB -0.401 29.337 29.700 0.063 0.000 0.752 750 E HN 0.560 nan 8.360 nan 0.000 0.466 751 H N -0.838 118.181 119.070 -0.085 0.000 2.326 751 H HA -0.161 4.470 4.556 0.125 0.000 0.301 751 H C 1.352 176.493 175.328 -0.312 0.000 1.081 751 H CA 1.826 57.678 56.048 -0.327 0.000 1.334 751 H CB -0.268 29.136 29.762 -0.597 0.000 1.385 751 H HN 0.317 nan 8.280 nan 0.000 0.504 752 Y N 0.440 120.690 120.300 -0.084 0.000 2.242 752 Y HA -0.152 4.472 4.550 0.124 0.000 0.291 752 Y C 2.776 178.583 175.900 -0.155 0.000 1.137 752 Y CA 1.013 59.041 58.100 -0.120 0.000 1.181 752 Y CB -0.347 38.147 38.460 0.057 0.000 0.989 752 Y HN 0.205 nan 8.280 nan 0.000 0.527 753 L N 0.139 121.381 121.223 0.033 0.000 1.994 753 L HA -0.169 4.246 4.340 0.126 0.000 0.208 753 L C 2.418 179.236 176.870 -0.088 0.000 1.071 753 L CA 2.702 57.518 54.840 -0.039 0.000 0.745 753 L CB -1.421 40.630 42.059 -0.014 0.000 0.892 753 L HN 0.346 nan 8.230 nan 0.000 0.431 754 T N -3.309 111.169 114.554 -0.127 0.000 2.904 754 T HA -0.037 4.389 4.350 0.126 0.000 0.267 754 T C 1.803 176.393 174.700 -0.184 0.000 1.059 754 T CA 0.726 62.743 62.100 -0.139 0.000 1.137 754 T CB -0.269 68.512 68.868 -0.145 0.000 0.879 754 T HN 0.307 nan 8.240 nan 0.000 0.467 755 R N 0.196 120.491 120.500 -0.342 0.000 2.308 755 R HA 0.385 4.800 4.340 0.126 0.000 0.202 755 R C 1.914 178.083 176.300 -0.218 0.000 0.898 755 R CA 0.249 56.127 56.100 -0.371 0.000 1.046 755 R CB -0.050 29.805 30.300 -0.742 0.000 1.026 755 R HN 0.441 nan 8.270 nan 0.000 0.512 756 Q N -0.196 119.533 119.800 -0.118 0.000 2.652 756 Q HA 0.278 4.694 4.340 0.126 0.000 0.211 756 Q C 2.253 178.362 176.000 0.181 0.000 0.858 756 Q CA 0.328 56.194 55.803 0.105 0.000 0.895 756 Q CB 0.014 28.802 28.738 0.082 0.000 1.194 756 Q HN 0.115 nan 8.270 nan 0.000 0.645 757 L N 1.323 122.554 121.223 0.013 0.000 2.056 757 L HA -0.219 4.197 4.340 0.126 0.000 0.207 757 L C 2.928 179.850 176.870 0.086 0.000 1.078 757 L CA 1.921 56.700 54.840 -0.102 0.000 0.749 757 L CB -0.942 40.851 42.059 -0.443 0.000 0.901 757 L HN 0.291 nan 8.230 nan 0.000 0.433 758 Q N 0.735 120.563 119.800 0.047 0.000 2.050 758 Q HA -0.175 4.240 4.340 0.126 0.000 0.202 758 Q C 0.126 176.197 176.000 0.118 0.000 0.980 758 Q CA 1.947 57.794 55.803 0.074 0.000 0.840 758 Q CB -2.385 26.363 28.738 0.016 0.000 0.898 758 Q HN 0.386 nan 8.270 nan 0.000 0.424 759 P HA -0.083 nan 4.420 nan 0.000 0.218 759 P C 1.439 178.818 177.300 0.132 0.000 1.149 759 P CA 1.186 64.375 63.100 0.149 0.000 0.817 759 P CB -0.032 31.822 31.700 0.256 0.000 0.785 760 V N 0.149 120.173 119.914 0.184 0.000 2.358 760 V HA -0.225 3.970 4.120 0.126 0.000 0.246 760 V C 2.461 178.654 176.094 0.166 0.000 1.047 760 V CA 2.181 64.576 62.300 0.158 0.000 1.035 760 V CB -1.627 30.363 31.823 0.280 0.000 0.658 760 V HN 0.097 nan 8.190 nan 0.000 0.452 761 A N 0.094 123.051 122.820 0.228 0.000 1.902 761 A HA -0.198 4.197 4.320 0.126 0.000 0.217 761 A C 2.329 179.943 177.584 0.051 0.000 1.181 761 A CA 2.139 54.262 52.037 0.142 0.000 0.623 761 A CB -0.802 18.321 19.000 0.205 0.000 0.818 761 A HN 0.608 nan 8.150 nan 0.000 0.443 762 E N -0.679 119.559 120.200 0.063 0.000 2.209 762 E HA -0.016 4.410 4.350 0.126 0.000 0.196 762 E C 2.155 178.771 176.600 0.027 0.000 0.993 762 E CA 1.623 58.040 56.400 0.028 0.000 0.819 762 E CB -1.480 28.240 29.700 0.034 0.000 0.745 762 E HN 0.726 nan 8.360 nan 0.000 0.477 763 G N -0.457 108.374 108.800 0.052 0.000 2.443 763 G HA2 0.093 4.129 3.960 0.126 0.000 0.219 763 G HA3 0.093 4.129 3.960 0.126 0.000 0.219 763 G C 1.664 176.603 174.900 0.065 0.000 1.131 763 G CA 1.053 46.197 45.100 0.074 0.000 0.775 763 G HN 0.527 nan 8.290 nan 0.000 0.547 764 I N -1.171 119.373 120.570 -0.043 0.000 4.197 764 I HA 0.294 4.540 4.170 0.126 0.000 0.307 764 I C 2.191 178.245 176.117 -0.105 0.000 1.236 764 I CA -0.035 61.151 61.300 -0.189 0.000 1.321 764 I CB 0.285 37.889 38.000 -0.662 0.000 1.309 764 I HN -0.007 nan 8.210 nan 0.000 0.450 765 L N 1.934 123.074 121.223 -0.139 0.000 2.079 765 L HA -0.105 4.311 4.340 0.126 0.000 0.210 765 L C -0.721 176.102 176.870 -0.079 0.000 1.081 765 L CA 1.437 56.191 54.840 -0.144 0.000 0.752 765 L CB -1.892 40.098 42.059 -0.115 0.000 0.896 765 L HN 0.219 nan 8.230 nan 0.000 0.433 766 P HA -0.144 nan 4.420 nan 0.000 0.225 766 P C 1.200 178.348 177.300 -0.254 0.000 1.148 766 P CA 1.265 64.254 63.100 -0.185 0.000 0.779 766 P CB -0.035 31.506 31.700 -0.264 0.000 0.780 767 F N -0.775 119.088 119.950 -0.145 0.000 2.661 767 F HA 0.091 4.694 4.527 0.126 0.000 0.298 767 F C 1.636 177.362 175.800 -0.125 0.000 1.137 767 F CA 0.734 58.645 58.000 -0.149 0.000 1.454 767 F CB -0.466 38.417 39.000 -0.195 0.000 1.103 767 F HN -0.090 nan 8.300 nan 0.000 0.577 768 I N -2.456 118.134 120.570 0.033 0.000 3.856 768 I HA 0.437 4.683 4.170 0.126 0.000 0.330 768 I C 0.769 176.899 176.117 0.022 0.000 1.546 768 I CA 0.346 61.662 61.300 0.027 0.000 1.132 768 I CB -0.936 37.079 38.000 0.026 0.000 1.157 768 I HN -0.032 nan 8.210 nan 0.000 0.440 769 E N 1.522 121.712 120.200 -0.017 0.000 2.252 769 E HA -0.259 4.167 4.350 0.126 0.000 0.218 769 E C -0.363 176.242 176.600 0.008 0.000 1.253 769 E CA 1.430 57.816 56.400 -0.022 0.000 0.705 769 E CB -2.213 nan 29.700 nan 0.000 1.172 769 E HN 0.787 nan 8.360 nan 0.000 0.369 770 D N 0.000 120.407 120.400 0.011 0.000 6.856 770 D HA 0.000 4.716 4.640 0.126 0.000 0.175 770 D CA 0.000 54.029 54.000 0.048 0.000 0.868 770 D CB 0.000 40.878 40.800 0.130 0.000 0.688 770 D HN 0.000 nan 8.370 nan 0.000 0.683