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 2pp1_1_D DATA FIRST_RESID 4 DATA SEQUENCE SANSDAVTYA KXXXXRTAAE TGDRIEWVKL SLAFLPLATP VSDAKVLTGR DATA SEQUENCE QKPLTEVAII IAEIRSRDGF EGVGFSYSKR AGGQGIYAHA KEIADNLLGE DATA SEQUENCE DPNDIDKIYT KLLWAGASVG RSGMAVQAIS PIDIALWDMK AKRAGLPLAK DATA SEQUENCE LLGAHRDSVQ CYNTSGGFLH TPLDQVLKNV VISRENGIGG IKLKVGQPNC DATA SEQUENCE AEDIRRLTAV REALGDEFPL MVDANQQWDR ETAIRMGRKM EQFNLIWIEE DATA SEQUENCE PLDAYDIEGH AQLAAALDTP IATGEMLTSF REHEQLILGN ASDFVQPDAP DATA SEQUENCE RVGGISPFLK IMDLAAKHGR KLAPHFAMEV HLHLSAAYPL EPWLEHFEWL DATA SEQUENCE NPLFNEQLEL RDGRMWISDR HGLGFTLSEQ ARRWTQLTCE FGKRP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.590 174.600 -0.017 0.000 1.055 4 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 4 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 5 A N 2.220 125.028 122.820 -0.020 0.000 2.238 5 A HA 0.379 4.699 4.320 0.000 0.000 0.210 5 A C 0.826 178.389 177.584 -0.035 0.000 1.179 5 A CA 0.834 52.856 52.037 -0.025 0.000 0.827 5 A CB -0.450 18.536 19.000 -0.024 0.000 0.856 5 A HN 1.131 nan 8.150 nan 0.000 0.488 6 N N -0.871 117.810 118.700 -0.032 0.000 3.157 6 N HA 0.553 5.293 4.740 0.000 0.000 0.291 6 N C -0.848 174.643 175.510 -0.031 0.000 1.515 6 N CA 0.365 53.392 53.050 -0.039 0.000 0.807 6 N CB 1.028 39.493 38.487 -0.037 0.000 1.672 6 N HN 0.273 nan 8.380 nan 0.000 0.592 7 S N -1.882 113.799 115.700 -0.032 0.000 2.672 7 S HA 0.357 4.827 4.470 0.000 0.000 0.271 7 S C -0.414 174.175 174.600 -0.019 0.000 1.171 7 S CA -0.561 57.626 58.200 -0.022 0.000 0.817 7 S CB 1.218 64.405 63.200 -0.021 0.000 1.150 7 S HN 0.375 nan 8.310 nan 0.000 0.478 8 D N 0.988 121.381 120.400 -0.012 0.000 2.178 8 D HA 0.184 4.824 4.640 0.000 0.000 0.201 8 D C 1.182 177.477 176.300 -0.008 0.000 0.980 8 D CA 1.867 55.862 54.000 -0.008 0.000 0.842 8 D CB -0.459 40.338 40.800 -0.004 0.000 0.948 8 D HN 0.734 nan 8.370 nan 0.000 0.472 9 A N -0.275 122.540 122.820 -0.008 0.000 3.068 9 A HA 0.594 4.915 4.320 0.000 0.000 0.229 9 A C -0.421 177.151 177.584 -0.019 0.000 1.561 9 A CA -0.405 51.630 52.037 -0.003 0.000 0.876 9 A CB 0.945 19.950 19.000 0.008 0.000 1.700 9 A HN -0.016 nan 8.150 nan 0.000 0.535 10 V N -0.097 119.808 119.914 -0.015 0.000 2.680 10 V HA 0.713 4.833 4.120 0.000 0.000 0.309 10 V C -0.305 175.739 176.094 -0.083 0.000 1.052 10 V CA 0.419 62.675 62.300 -0.073 0.000 0.908 10 V CB 1.847 33.636 31.823 -0.058 0.000 1.001 10 V HN 1.401 nan 8.190 nan 0.000 0.431 11 T N 3.104 117.537 114.554 -0.201 0.000 2.907 11 T HA 0.718 5.068 4.350 0.000 0.000 0.292 11 T C -1.352 173.141 174.700 -0.345 0.000 1.043 11 T CA -0.511 61.507 62.100 -0.137 0.000 1.003 11 T CB 1.629 70.459 68.868 -0.064 0.000 1.084 11 T HN 0.536 nan 8.240 nan 0.000 0.483 12 Y N 0.534 120.834 120.300 -0.001 0.000 2.350 12 Y HA 0.635 5.185 4.550 0.000 0.000 0.338 12 Y C 0.454 176.353 175.900 -0.001 0.000 0.961 12 Y CA -1.072 57.028 58.100 -0.001 0.000 1.100 12 Y CB 1.947 40.406 38.460 -0.001 0.000 1.179 12 Y HN 1.091 nan 8.280 nan 0.000 0.454 13 A N 4.837 127.724 122.820 0.111 0.000 2.366 13 A HA 0.415 4.735 4.320 0.000 0.000 0.272 13 A C 0.057 177.688 177.584 0.078 0.000 1.135 13 A CA -0.679 51.399 52.037 0.069 0.000 0.804 13 A CB 0.275 19.295 19.000 0.035 0.000 1.064 13 A HN 0.626 nan 8.150 nan 0.000 0.499 20 T N 0.163 114.719 114.554 0.003 0.000 2.945 20 T HA 0.587 4.937 4.350 0.000 0.000 0.286 20 T C 1.198 175.899 174.700 0.001 0.000 1.025 20 T CA -0.140 61.961 62.100 0.002 0.000 1.039 20 T CB 1.890 70.758 68.868 0.001 0.000 1.068 20 T HN 0.561 nan 8.240 nan 0.000 0.497 21 A N 1.049 123.868 122.820 -0.001 0.000 1.972 21 A HA 0.254 4.574 4.320 0.000 0.000 0.219 21 A C 2.522 180.104 177.584 -0.003 0.000 1.169 21 A CA 1.600 53.635 52.037 -0.004 0.000 0.635 21 A CB -1.411 17.584 19.000 -0.008 0.000 0.810 21 A HN 1.221 nan 8.150 nan 0.000 0.446 22 A N 0.961 123.780 122.820 -0.003 0.000 1.873 22 A HA -0.171 4.149 4.320 0.000 0.000 0.215 22 A C 1.952 179.537 177.584 0.002 0.000 1.186 22 A CA 1.604 53.640 52.037 -0.002 0.000 0.616 22 A CB -0.583 18.415 19.000 -0.002 0.000 0.823 22 A HN 0.766 nan 8.150 nan 0.000 0.442 23 E N -0.350 119.852 120.200 0.003 0.000 2.358 23 E HA -0.095 4.255 4.350 0.000 0.000 0.195 23 E C 1.428 178.033 176.600 0.009 0.000 1.010 23 E CA 1.389 57.793 56.400 0.005 0.000 0.856 23 E CB -0.468 29.235 29.700 0.005 0.000 0.795 23 E HN 0.634 nan 8.360 nan 0.000 0.504 24 T N -2.320 112.239 114.554 0.009 0.000 3.001 24 T HA 0.242 4.592 4.350 0.000 0.000 0.251 24 T C 1.151 175.861 174.700 0.017 0.000 1.040 24 T CA 0.010 62.117 62.100 0.013 0.000 0.985 24 T CB 0.300 69.175 68.868 0.012 0.000 1.011 24 T HN 0.173 nan 8.240 nan 0.000 0.509 25 G N 1.407 110.214 108.800 0.011 0.000 2.630 25 G HA2 0.297 4.257 3.960 0.000 0.000 0.236 25 G HA3 0.297 4.257 3.960 0.000 0.000 0.236 25 G C -0.298 174.617 174.900 0.025 0.000 1.248 25 G CA -0.335 44.772 45.100 0.010 0.000 0.844 25 G HN 0.291 nan 8.290 nan 0.000 0.588 26 D N -0.422 119.998 120.400 0.033 0.000 2.363 26 D HA 0.256 4.896 4.640 0.000 0.000 0.240 26 D C 0.416 176.744 176.300 0.046 0.000 1.236 26 D CA 0.230 54.267 54.000 0.062 0.000 0.927 26 D CB 0.526 41.382 40.800 0.094 0.000 1.150 26 D HN 0.154 nan 8.370 nan 0.000 0.458 27 R N 1.190 121.727 120.500 0.062 0.000 2.651 27 R HA 0.399 4.739 4.340 0.000 0.000 0.278 27 R C -0.616 175.727 176.300 0.071 0.000 1.010 27 R CA -0.771 55.360 56.100 0.052 0.000 0.896 27 R CB 1.073 31.401 30.300 0.046 0.000 1.211 27 R HN 0.451 nan 8.270 nan 0.000 0.456 28 I N 2.326 122.933 120.570 0.062 0.000 2.496 28 I HA 0.057 4.227 4.170 0.000 0.000 0.285 28 I C 1.186 177.364 176.117 0.102 0.000 1.080 28 I CA 0.582 61.932 61.300 0.084 0.000 1.404 28 I CB 0.715 38.746 38.000 0.052 0.000 1.403 28 I HN 0.570 nan 8.210 nan 0.000 0.539 29 E N 4.108 124.400 120.200 0.153 0.000 2.541 29 E HA 0.076 4.426 4.350 0.000 0.000 0.219 29 E C -0.807 175.966 176.600 0.288 0.000 0.922 29 E CA -0.155 56.349 56.400 0.174 0.000 1.095 29 E CB 1.070 30.856 29.700 0.144 0.000 1.112 29 E HN 0.610 nan 8.360 nan 0.000 0.516 30 W N 0.815 122.157 121.300 0.071 0.000 3.256 30 W HA 0.449 5.109 4.660 0.000 0.000 0.324 30 W C -1.937 174.649 176.519 0.112 0.000 1.196 30 W CA -0.506 56.894 57.345 0.092 0.000 1.206 30 W CB 1.329 30.832 29.460 0.072 0.000 1.385 30 W HN -0.355 nan 8.180 nan 0.000 0.522 31 V N 4.999 124.586 119.914 -0.545 0.000 2.808 31 V HA 0.473 4.593 4.120 0.000 0.000 0.308 31 V C -0.961 174.615 176.094 -0.864 0.000 1.099 31 V CA -1.277 60.702 62.300 -0.535 0.000 0.920 31 V CB 1.874 33.601 31.823 -0.160 0.000 1.014 31 V HN 0.443 nan 8.190 nan 0.000 0.425 32 K N 4.545 124.464 120.400 -0.802 0.000 2.426 32 K HA 0.762 5.082 4.320 0.000 0.000 0.254 32 K C -1.788 174.744 176.600 -0.114 0.000 0.936 32 K CA -0.612 55.369 56.287 -0.510 0.000 0.801 32 K CB 1.678 33.842 32.500 -0.560 0.000 1.139 32 K HN 0.656 nan 8.250 nan 0.000 0.424 33 L N 2.302 123.551 121.223 0.043 0.000 2.334 33 L HA 0.538 4.878 4.340 0.000 0.000 0.276 33 L C -0.536 176.506 176.870 0.286 0.000 1.014 33 L CA -0.852 54.088 54.840 0.167 0.000 0.815 33 L CB 2.160 44.316 42.059 0.162 0.000 1.268 33 L HN 0.636 nan 8.230 nan 0.000 0.428 34 S N 2.613 118.477 115.700 0.274 0.000 2.541 34 S HA 0.611 5.081 4.470 0.000 0.000 0.280 34 S C -1.250 173.366 174.600 0.027 0.000 1.112 34 S CA -0.511 57.777 58.200 0.146 0.000 0.925 34 S CB 2.409 65.656 63.200 0.079 0.000 1.067 34 S HN 0.397 nan 8.310 nan 0.000 0.479 35 L N 3.044 124.092 121.223 -0.291 0.000 2.316 35 L HA 0.883 5.223 4.340 0.000 0.000 0.280 35 L C -0.363 176.339 176.870 -0.280 0.000 1.006 35 L CA -0.183 54.430 54.840 -0.379 0.000 0.836 35 L CB 0.442 42.068 42.059 -0.722 0.000 1.221 35 L HN 0.816 nan 8.230 nan 0.000 0.418 36 A N 4.109 126.755 122.820 -0.289 0.000 2.386 36 A HA 0.863 5.183 4.320 0.000 0.000 0.308 36 A C -1.509 175.803 177.584 -0.454 0.000 1.128 36 A CA -0.436 51.493 52.037 -0.180 0.000 0.789 36 A CB 0.937 19.918 19.000 -0.031 0.000 1.325 36 A HN 0.542 nan 8.150 nan 0.000 0.437 37 F N 0.160 120.054 119.950 -0.094 0.000 2.518 37 F HA 0.477 5.004 4.527 0.000 0.000 0.323 37 F C -0.314 175.188 175.800 -0.495 0.000 1.129 37 F CA -0.417 57.453 58.000 -0.218 0.000 0.920 37 F CB 2.104 40.987 39.000 -0.196 0.000 1.160 37 F HN 0.380 nan 8.300 nan 0.000 0.440 38 L N 7.615 128.610 121.223 -0.380 0.000 2.268 38 L HA 0.477 4.817 4.340 0.000 0.000 0.289 38 L C -2.235 174.245 176.870 -0.651 0.000 1.064 38 L CA -2.036 52.364 54.840 -0.734 0.000 0.824 38 L CB 0.367 42.179 42.059 -0.412 0.000 1.202 38 L HN 0.228 nan 8.230 nan 0.000 0.433 39 P HA 0.129 nan 4.420 nan 0.000 0.275 39 P C -1.108 175.925 177.300 -0.444 0.000 1.227 39 P CA -0.207 62.586 63.100 -0.512 0.000 0.781 39 P CB 1.036 32.477 31.700 -0.431 0.000 0.906 40 L N 2.942 123.927 121.223 -0.397 0.000 2.301 40 L HA 0.327 4.667 4.340 0.000 0.000 0.278 40 L C 1.692 178.389 176.870 -0.288 0.000 1.022 40 L CA -0.701 53.883 54.840 -0.427 0.000 0.854 40 L CB 1.323 43.023 42.059 -0.598 0.000 1.226 40 L HN 0.375 nan 8.230 nan 0.000 0.429 41 A N 2.135 124.833 122.820 -0.203 0.000 1.948 41 A HA -0.097 4.223 4.320 0.000 0.000 0.220 41 A C 1.115 178.616 177.584 -0.138 0.000 1.177 41 A CA 1.471 53.429 52.037 -0.132 0.000 0.636 41 A CB -0.322 18.636 19.000 -0.070 0.000 0.815 41 A HN 0.587 nan 8.150 nan 0.000 0.449 42 T N 2.002 116.459 114.554 -0.163 0.000 2.781 42 T HA 0.466 4.816 4.350 0.000 0.000 0.305 42 T C -2.715 171.800 174.700 -0.308 0.000 1.001 42 T CA -1.017 60.979 62.100 -0.172 0.000 0.950 42 T CB 1.194 70.016 68.868 -0.077 0.000 0.955 42 T HN 0.059 nan 8.240 nan 0.000 0.471 43 P HA 0.084 nan 4.420 nan 0.000 0.262 43 P C -0.702 176.239 177.300 -0.598 0.000 1.182 43 P CA -0.136 62.750 63.100 -0.356 0.000 0.761 43 P CB 0.416 31.968 31.700 -0.246 0.000 0.795 44 V N 3.926 123.553 119.914 -0.478 0.000 2.427 44 V HA 0.359 4.479 4.120 0.000 0.000 0.286 44 V C 0.224 176.259 176.094 -0.099 0.000 1.034 44 V CA 0.026 62.060 62.300 -0.444 0.000 0.893 44 V CB 1.578 33.174 31.823 -0.378 0.000 0.982 44 V HN 0.451 nan 8.190 nan 0.000 0.452 45 S N 3.275 119.134 115.700 0.266 0.000 2.707 45 S HA 0.515 4.985 4.470 0.000 0.000 0.303 45 S C -0.685 174.217 174.600 0.503 0.000 1.132 45 S CA -0.950 57.441 58.200 0.318 0.000 1.046 45 S CB 1.308 64.647 63.200 0.231 0.000 1.004 45 S HN 0.982 nan 8.310 nan 0.000 0.483 46 D N 1.819 122.477 120.400 0.429 0.000 2.564 46 D HA 0.637 5.277 4.640 0.000 0.000 0.273 46 D C 1.313 177.697 176.300 0.140 0.000 1.192 46 D CA -0.724 53.467 54.000 0.318 0.000 1.080 46 D CB -0.019 40.953 40.800 0.287 0.000 1.160 46 D HN 0.340 nan 8.370 nan 0.000 0.607 47 A N -0.578 122.262 122.820 0.034 0.000 2.024 47 A HA -0.222 4.098 4.320 0.000 0.000 0.220 47 A C 1.827 179.417 177.584 0.011 0.000 1.164 47 A CA 1.510 53.540 52.037 -0.012 0.000 0.643 47 A CB -0.862 18.067 19.000 -0.119 0.000 0.806 47 A HN 0.544 nan 8.150 nan 0.000 0.451 48 K N -0.582 119.837 120.400 0.031 0.000 2.209 48 K HA -0.065 4.255 4.320 0.000 0.000 0.204 48 K C 1.690 178.318 176.600 0.046 0.000 1.048 48 K CA 1.358 57.666 56.287 0.036 0.000 0.940 48 K CB -0.214 32.316 32.500 0.050 0.000 0.729 48 K HN 0.383 nan 8.250 nan 0.000 0.451 49 V N 0.759 120.712 119.914 0.066 0.000 2.446 49 V HA -0.137 3.983 4.120 0.000 0.000 0.244 49 V C 1.839 177.964 176.094 0.052 0.000 1.039 49 V CA 1.067 63.404 62.300 0.061 0.000 1.045 49 V CB -0.195 31.675 31.823 0.079 0.000 0.681 49 V HN 0.143 nan 8.190 nan 0.000 0.459 50 L N 1.003 122.260 121.223 0.057 0.000 2.362 50 L HA -0.082 4.258 4.340 0.000 0.000 0.219 50 L C 2.427 179.320 176.870 0.039 0.000 1.134 50 L CA 2.173 57.042 54.840 0.049 0.000 0.807 50 L CB -1.019 41.071 42.059 0.051 0.000 0.927 50 L HN 0.598 nan 8.230 nan 0.000 0.447 51 T N -5.000 109.574 114.554 0.034 0.000 3.086 51 T HA 0.350 4.700 4.350 0.000 0.000 0.250 51 T C 1.500 176.218 174.700 0.029 0.000 1.074 51 T CA 0.385 62.505 62.100 0.032 0.000 0.988 51 T CB 0.269 69.153 68.868 0.027 0.000 0.988 51 T HN 0.346 nan 8.240 nan 0.000 0.530 52 G N 1.878 110.695 108.800 0.029 0.000 2.157 52 G HA2 -0.281 3.679 3.960 0.000 0.000 0.248 52 G HA3 -0.281 3.679 3.960 0.000 0.000 0.248 52 G C 1.167 176.081 174.900 0.022 0.000 0.979 52 G CA 0.172 45.286 45.100 0.024 0.000 0.650 52 G HN 0.418 nan 8.290 nan 0.000 0.529 53 R N -0.019 120.495 120.500 0.024 0.000 2.115 53 R HA 0.079 4.419 4.340 0.000 0.000 0.230 53 R C 1.329 177.643 176.300 0.022 0.000 1.111 53 R CA 1.476 57.589 56.100 0.023 0.000 0.976 53 R CB -0.123 30.192 30.300 0.024 0.000 0.870 53 R HN 0.708 nan 8.270 nan 0.000 0.445 54 Q N -0.718 119.097 119.800 0.026 0.000 2.615 54 Q HA 0.377 4.717 4.340 0.000 0.000 0.298 54 Q C -0.798 175.215 176.000 0.020 0.000 1.023 54 Q CA -0.942 54.875 55.803 0.024 0.000 0.768 54 Q CB 2.171 30.929 28.738 0.033 0.000 1.500 54 Q HN -0.234 nan 8.270 nan 0.000 0.441 55 K N 0.783 121.189 120.400 0.011 0.000 2.106 55 K HA 0.512 4.832 4.320 0.000 0.000 0.246 55 K C -2.478 174.118 176.600 -0.006 0.000 0.987 55 K CA -1.953 54.333 56.287 -0.001 0.000 0.904 55 K CB 0.448 32.940 32.500 -0.014 0.000 1.071 55 K HN 0.321 nan 8.250 nan 0.000 0.453 56 P HA -0.026 nan 4.420 nan 0.000 0.266 56 P C -0.505 176.751 177.300 -0.075 0.000 1.193 56 P CA -0.302 62.770 63.100 -0.047 0.000 0.770 56 P CB 0.337 31.989 31.700 -0.081 0.000 0.836 57 L N 3.346 124.512 121.223 -0.096 0.000 2.319 57 L HA 0.278 4.618 4.340 0.000 0.000 0.280 57 L C 1.039 177.779 176.870 -0.216 0.000 1.099 57 L CA 0.864 55.628 54.840 -0.127 0.000 0.828 57 L CB 0.354 42.348 42.059 -0.109 0.000 1.150 57 L HN 0.496 nan 8.230 nan 0.000 0.442 58 T N 0.381 114.816 114.554 -0.198 0.000 3.003 58 T HA 0.326 4.676 4.350 0.000 0.000 0.261 58 T C 0.103 174.646 174.700 -0.261 0.000 1.003 58 T CA 0.294 62.254 62.100 -0.234 0.000 0.917 58 T CB -0.183 68.576 68.868 -0.180 0.000 1.084 58 T HN 0.712 nan 8.240 nan 0.000 0.522 59 E N -0.308 119.753 120.200 -0.231 0.000 2.422 59 E HA 0.571 4.921 4.350 0.000 0.000 0.280 59 E C -2.199 174.333 176.600 -0.113 0.000 1.091 59 E CA -1.202 55.074 56.400 -0.206 0.000 0.849 59 E CB 1.519 31.147 29.700 -0.120 0.000 1.353 59 E HN -0.021 nan 8.360 nan 0.000 0.449 60 V N 0.667 120.532 119.914 -0.081 0.000 2.577 60 V HA 0.667 4.787 4.120 0.000 0.000 0.303 60 V C -0.180 175.903 176.094 -0.018 0.000 1.042 60 V CA -0.369 61.935 62.300 0.007 0.000 0.872 60 V CB 1.373 33.208 31.823 0.018 0.000 0.998 60 V HN 0.872 nan 8.190 nan 0.000 0.423 61 A N 6.366 129.172 122.820 -0.023 0.000 2.401 61 A HA 0.748 5.068 4.320 0.000 0.000 0.259 61 A C -0.443 177.042 177.584 -0.165 0.000 1.103 61 A CA -0.118 51.673 52.037 -0.410 0.000 0.789 61 A CB 0.114 18.933 19.000 -0.302 0.000 1.035 61 A HN 0.619 nan 8.150 nan 0.000 0.491 62 I N 3.427 123.831 120.570 -0.277 0.000 2.447 62 I HA 0.296 4.466 4.170 0.000 0.000 0.287 62 I C -1.010 175.081 176.117 -0.043 0.000 1.023 62 I CA -0.441 60.824 61.300 -0.058 0.000 1.083 62 I CB 1.315 39.235 38.000 -0.133 0.000 1.245 62 I HN 0.406 nan 8.210 nan 0.000 0.434 63 I N 7.453 128.091 120.570 0.112 0.000 2.330 63 I HA 0.408 4.578 4.170 0.000 0.000 0.289 63 I C 0.186 176.435 176.117 0.220 0.000 1.001 63 I CA -0.022 61.366 61.300 0.146 0.000 1.193 63 I CB 0.989 39.092 38.000 0.171 0.000 1.345 63 I HN 0.288 nan 8.210 nan 0.000 0.461 64 I N 5.265 125.949 120.570 0.189 0.000 2.460 64 I HA 0.794 4.964 4.170 0.000 0.000 0.298 64 I C 0.059 176.281 176.117 0.175 0.000 0.989 64 I CA -0.692 60.735 61.300 0.213 0.000 1.173 64 I CB 1.805 39.904 38.000 0.165 0.000 1.338 64 I HN 0.616 nan 8.210 nan 0.000 0.456 65 A N 4.961 127.880 122.820 0.166 0.000 2.371 65 A HA 0.749 5.069 4.320 0.000 0.000 0.311 65 A C -0.919 176.732 177.584 0.112 0.000 1.068 65 A CA -0.527 51.570 52.037 0.100 0.000 0.744 65 A CB 1.097 20.136 19.000 0.065 0.000 1.239 65 A HN 0.758 nan 8.150 nan 0.000 0.435 66 E N 1.587 121.824 120.200 0.061 0.000 2.224 66 E HA 0.579 4.929 4.350 0.000 0.000 0.265 66 E C -1.395 175.250 176.600 0.075 0.000 0.878 66 E CA -0.262 56.214 56.400 0.127 0.000 0.759 66 E CB 2.295 32.120 29.700 0.209 0.000 1.164 66 E HN 0.604 nan 8.360 nan 0.000 0.414 67 I N 2.419 123.089 120.570 0.166 0.000 2.545 67 I HA 0.475 4.645 4.170 0.000 0.000 0.292 67 I C -0.322 175.965 176.117 0.283 0.000 1.040 67 I CA -0.804 60.600 61.300 0.173 0.000 1.068 67 I CB 1.850 39.908 38.000 0.097 0.000 1.251 67 I HN 0.258 nan 8.210 nan 0.000 0.424 68 R N 3.325 124.044 120.500 0.365 0.000 2.561 68 R HA 0.537 4.877 4.340 0.000 0.000 0.297 68 R C -0.627 175.813 176.300 0.234 0.000 0.969 68 R CA -0.599 55.689 56.100 0.313 0.000 0.879 68 R CB 2.500 33.006 30.300 0.344 0.000 1.178 68 R HN 0.800 nan 8.270 nan 0.000 0.445 69 S N 1.247 117.061 115.700 0.190 0.000 2.690 69 S HA 0.265 4.735 4.470 0.000 0.000 0.291 69 S C 1.053 175.723 174.600 0.117 0.000 1.138 69 S CA -0.930 57.368 58.200 0.163 0.000 1.013 69 S CB 2.215 65.539 63.200 0.207 0.000 1.053 69 S HN 0.795 nan 8.310 nan 0.000 0.539 70 R N 0.462 121.022 120.500 0.099 0.000 2.096 70 R HA -0.143 4.197 4.340 0.000 0.000 0.240 70 R C 0.136 176.460 176.300 0.039 0.000 1.139 70 R CA 2.066 58.204 56.100 0.063 0.000 0.952 70 R CB -0.691 29.645 30.300 0.060 0.000 0.854 70 R HN 0.741 nan 8.270 nan 0.000 0.436 71 D N -0.907 119.536 120.400 0.071 0.000 2.338 71 D HA 0.090 4.730 4.640 0.000 0.000 0.239 71 D C 0.822 177.026 176.300 -0.161 0.000 1.095 71 D CA 1.043 55.057 54.000 0.024 0.000 0.888 71 D CB 0.418 41.304 40.800 0.144 0.000 0.899 71 D HN 0.611 nan 8.370 nan 0.000 0.525 72 G N 0.066 108.782 108.800 -0.140 0.000 2.157 72 G HA2 -0.264 3.696 3.960 0.000 0.000 0.239 72 G HA3 -0.264 3.696 3.960 0.000 0.000 0.239 72 G C 0.061 174.743 174.900 -0.363 0.000 0.982 72 G CA -0.501 44.437 45.100 -0.270 0.000 0.650 72 G HN 0.236 nan 8.290 nan 0.000 0.527 73 F N 1.197 121.171 119.950 0.041 0.000 2.399 73 F HA 0.699 5.226 4.527 0.000 0.000 0.328 73 F C 0.582 176.426 175.800 0.073 0.000 1.084 73 F CA -0.667 57.364 58.000 0.051 0.000 1.053 73 F CB 1.380 40.404 39.000 0.040 0.000 1.209 73 F HN 0.185 nan 8.300 nan 0.000 0.502 74 E N 1.088 121.455 120.200 0.279 0.000 2.340 74 E HA 0.677 5.027 4.350 0.000 0.000 0.273 74 E C -1.492 175.232 176.600 0.207 0.000 0.891 74 E CA -0.929 55.605 56.400 0.223 0.000 0.757 74 E CB 1.977 31.789 29.700 0.186 0.000 1.231 74 E HN 0.704 nan 8.360 nan 0.000 0.439 75 G N 0.579 109.493 108.800 0.190 0.000 2.620 75 G HA2 0.569 4.529 3.960 0.000 0.000 0.301 75 G HA3 0.569 4.529 3.960 0.000 0.000 0.301 75 G C -1.532 173.474 174.900 0.176 0.000 1.347 75 G CA -0.512 44.686 45.100 0.164 0.000 0.971 75 G HN 0.422 nan 8.290 nan 0.000 0.488 76 V N 0.471 120.494 119.914 0.182 0.000 2.876 76 V HA 1.013 5.133 4.120 0.000 0.000 0.312 76 V C 0.107 176.329 176.094 0.214 0.000 1.085 76 V CA 0.431 62.858 62.300 0.212 0.000 0.945 76 V CB 1.949 33.923 31.823 0.252 0.000 1.017 76 V HN 1.557 nan 8.190 nan 0.000 0.428 77 G N 4.151 113.091 108.800 0.233 0.000 2.660 77 G HA2 0.809 4.769 3.960 0.000 0.000 0.290 77 G HA3 0.809 4.769 3.960 0.000 0.000 0.290 77 G C -1.604 173.476 174.900 0.301 0.000 1.432 77 G CA -0.158 45.061 45.100 0.199 0.000 0.807 77 G HN 1.597 nan 8.290 nan 0.000 0.485 78 F N -0.776 119.245 119.950 0.119 0.000 2.713 78 F HA 0.872 5.399 4.527 0.000 0.000 0.311 78 F C -0.287 175.596 175.800 0.139 0.000 1.141 78 F CA -0.759 57.317 58.000 0.128 0.000 0.939 78 F CB 1.445 40.535 39.000 0.150 0.000 1.325 78 F HN 0.961 nan 8.300 nan 0.000 0.453 79 S N 0.496 116.408 115.700 0.352 0.000 2.811 79 S HA 0.936 5.406 4.470 0.000 0.000 0.311 79 S C -1.415 173.472 174.600 0.479 0.000 1.152 79 S CA -0.301 58.063 58.200 0.273 0.000 0.864 79 S CB 2.374 65.633 63.200 0.098 0.000 1.226 79 S HN 1.741 nan 8.310 nan 0.000 0.541 80 Y N -2.011 118.440 120.300 0.252 0.000 2.764 80 Y HA 0.844 5.394 4.550 0.000 0.000 0.331 80 Y C -0.964 175.020 175.900 0.140 0.000 1.280 80 Y CA -0.799 57.425 58.100 0.207 0.000 1.065 80 Y CB 1.072 39.722 38.460 0.317 0.000 1.319 80 Y HN 0.934 nan 8.280 nan 0.000 0.453 81 S N 0.556 116.359 115.700 0.171 0.000 2.603 81 S HA 0.474 4.944 4.470 0.000 0.000 0.274 81 S C -2.064 172.678 174.600 0.237 0.000 1.168 81 S CA -0.939 57.300 58.200 0.065 0.000 0.963 81 S CB 0.922 64.136 63.200 0.023 0.000 1.078 81 S HN 0.629 nan 8.310 nan 0.000 0.477 82 K N 3.818 124.355 120.400 0.229 0.000 2.292 82 K HA 0.587 4.907 4.320 0.000 0.000 0.270 82 K C 0.004 176.666 176.600 0.103 0.000 1.062 82 K CA -0.562 55.826 56.287 0.168 0.000 0.916 82 K CB 0.862 33.460 32.500 0.163 0.000 1.166 82 K HN 0.752 nan 8.250 nan 0.000 0.458 83 R N -0.021 120.530 120.500 0.086 0.000 4.183 83 R HA -0.156 4.184 4.340 0.000 0.000 0.290 83 R C -0.611 175.735 176.300 0.077 0.000 0.241 83 R CA 0.225 56.362 56.100 0.062 0.000 0.985 83 R CB -1.034 29.293 30.300 0.045 0.000 1.166 83 R HN 0.743 nan 8.270 nan 0.000 0.474 84 A N 0.526 123.380 122.820 0.057 0.000 2.567 84 A HA 0.397 4.717 4.320 0.000 0.000 0.240 84 A C 1.323 178.941 177.584 0.057 0.000 1.053 84 A CA 1.538 53.611 52.037 0.060 0.000 0.755 84 A CB -0.157 18.866 19.000 0.038 0.000 0.978 84 A HN 1.293 nan 8.150 nan 0.000 0.507 85 G N 1.238 110.081 108.800 0.070 0.000 3.382 85 G HA2 0.018 3.978 3.960 0.000 0.000 0.214 85 G HA3 0.018 3.978 3.960 0.000 0.000 0.214 85 G C 1.239 176.179 174.900 0.067 0.000 1.025 85 G CA 0.586 45.717 45.100 0.051 0.000 0.869 85 G HN 1.581 nan 8.290 nan 0.000 0.458 86 G N 0.641 109.495 108.800 0.090 0.000 2.440 86 G HA2 -0.087 3.873 3.960 0.000 0.000 0.218 86 G HA3 -0.087 3.873 3.960 0.000 0.000 0.218 86 G C 1.614 176.593 174.900 0.131 0.000 1.154 86 G CA 1.793 46.937 45.100 0.074 0.000 0.767 86 G HN 0.425 nan 8.290 nan 0.000 0.552 87 Q N 0.429 120.333 119.800 0.174 0.000 2.084 87 Q HA -0.057 4.283 4.340 0.000 0.000 0.202 87 Q C 2.796 178.909 176.000 0.189 0.000 0.978 87 Q CA 1.496 57.418 55.803 0.197 0.000 0.844 87 Q CB -0.908 27.929 28.738 0.165 0.000 0.898 87 Q HN 0.460 nan 8.270 nan 0.000 0.426 88 G N 0.800 109.678 108.800 0.131 0.000 2.394 88 G HA2 -0.153 3.807 3.960 0.000 0.000 0.215 88 G HA3 -0.153 3.807 3.960 0.000 0.000 0.215 88 G C 1.601 176.570 174.900 0.116 0.000 1.165 88 G CA 0.378 45.541 45.100 0.104 0.000 0.784 88 G HN 0.267 nan 8.290 nan 0.000 0.535 89 I N -0.654 119.983 120.570 0.112 0.000 2.179 89 I HA -0.180 3.990 4.170 0.000 0.000 0.242 89 I C 2.465 178.666 176.117 0.141 0.000 1.088 89 I CA 1.322 62.687 61.300 0.109 0.000 1.357 89 I CB -0.343 37.706 38.000 0.081 0.000 1.051 89 I HN 0.223 nan 8.210 nan 0.000 0.409 90 Y N 1.855 122.186 120.300 0.053 0.000 2.145 90 Y HA -0.282 4.268 4.550 0.000 0.000 0.286 90 Y C 2.532 178.471 175.900 0.066 0.000 1.145 90 Y CA 1.417 59.548 58.100 0.052 0.000 1.148 90 Y CB -0.463 38.025 38.460 0.045 0.000 0.981 90 Y HN 0.113 nan 8.280 nan 0.000 0.507 91 A N -0.568 122.293 122.820 0.069 0.000 1.883 91 A HA -0.288 4.032 4.320 0.000 0.000 0.217 91 A C 2.088 179.645 177.584 -0.044 0.000 1.186 91 A CA 2.165 54.196 52.037 -0.010 0.000 0.624 91 A CB -1.350 17.715 19.000 0.109 0.000 0.822 91 A HN 0.716 nan 8.150 nan 0.000 0.444 92 H N -0.210 118.818 119.070 -0.069 0.000 2.357 92 H HA 0.104 4.660 4.556 0.000 0.000 0.301 92 H C 2.225 177.477 175.328 -0.127 0.000 1.082 92 H CA 1.699 57.702 56.048 -0.077 0.000 1.342 92 H CB -0.340 29.393 29.762 -0.049 0.000 1.389 92 H HN 0.388 nan 8.280 nan 0.000 0.511 93 A N 0.901 123.624 122.820 -0.161 0.000 1.908 93 A HA -0.246 4.074 4.320 0.000 0.000 0.218 93 A C 2.318 179.704 177.584 -0.330 0.000 1.181 93 A CA 2.026 53.918 52.037 -0.242 0.000 0.627 93 A CB -0.667 18.247 19.000 -0.143 0.000 0.818 93 A HN 0.527 nan 8.150 nan 0.000 0.445 94 K N -0.376 119.813 120.400 -0.351 0.000 2.097 94 K HA -0.172 4.148 4.320 0.000 0.000 0.206 94 K C 1.939 178.434 176.600 -0.174 0.000 1.049 94 K CA 1.665 57.809 56.287 -0.238 0.000 0.933 94 K CB -0.148 32.144 32.500 -0.346 0.000 0.717 94 K HN 0.605 nan 8.250 nan 0.000 0.442 95 E N 0.486 120.551 120.200 -0.225 0.000 2.358 95 E HA -0.088 4.262 4.350 0.000 0.000 0.195 95 E C 1.656 178.088 176.600 -0.280 0.000 1.010 95 E CA 0.881 57.167 56.400 -0.190 0.000 0.856 95 E CB 0.089 29.708 29.700 -0.136 0.000 0.795 95 E HN 0.615 nan 8.360 nan 0.000 0.504 96 I N -4.653 115.671 120.570 -0.410 0.000 4.288 96 I HA 0.384 4.555 4.170 0.000 0.000 0.331 96 I C 2.047 177.910 176.117 -0.424 0.000 1.322 96 I CA 0.229 61.299 61.300 -0.384 0.000 1.149 96 I CB 0.271 38.017 38.000 -0.424 0.000 1.112 96 I HN -0.086 nan 8.210 nan 0.000 0.403 97 A N 2.982 125.448 122.820 -0.590 0.000 1.948 97 A HA -0.306 4.014 4.320 0.000 0.000 0.220 97 A C 2.103 179.214 177.584 -0.789 0.000 1.177 97 A CA 2.392 53.974 52.037 -0.758 0.000 0.636 97 A CB -0.973 17.373 19.000 -1.089 0.000 0.815 97 A HN 0.754 nan 8.150 nan 0.000 0.449 98 D N -0.248 119.639 120.400 -0.856 0.000 2.351 98 D HA -0.175 4.465 4.640 0.000 0.000 0.216 98 D C 1.089 177.256 176.300 -0.222 0.000 0.968 98 D CA 1.084 54.821 54.000 -0.438 0.000 0.899 98 D CB -0.750 39.948 40.800 -0.170 0.000 0.907 98 D HN 0.470 nan 8.370 nan 0.000 0.514 99 N N 0.390 118.954 118.700 -0.226 0.000 2.453 99 N HA -0.040 4.700 4.740 0.000 0.000 0.183 99 N C 2.032 177.477 175.510 -0.108 0.000 1.041 99 N CA 0.275 53.245 53.050 -0.132 0.000 0.900 99 N CB 0.090 38.505 38.487 -0.120 0.000 0.961 99 N HN 0.381 nan 8.380 nan 0.000 0.443 100 L N 0.865 122.001 121.223 -0.145 0.000 2.156 100 L HA 0.012 4.352 4.340 0.000 0.000 0.208 100 L C 0.769 177.609 176.870 -0.049 0.000 1.095 100 L CA 0.275 55.056 54.840 -0.098 0.000 0.770 100 L CB -0.273 41.711 42.059 -0.124 0.000 0.914 100 L HN 0.050 nan 8.230 nan 0.000 0.439 101 L N 0.807 122.006 121.223 -0.041 0.000 2.559 101 L HA 0.021 4.361 4.340 0.000 0.000 0.274 101 L C 1.362 178.239 176.870 0.011 0.000 1.205 101 L CA 0.745 55.591 54.840 0.009 0.000 0.907 101 L CB -0.176 41.902 42.059 0.031 0.000 1.153 101 L HN 0.417 nan 8.230 nan 0.000 0.490 102 G N 1.503 110.319 108.800 0.026 0.000 2.176 102 G HA2 -0.200 3.760 3.960 0.000 0.000 0.253 102 G HA3 -0.200 3.760 3.960 0.000 0.000 0.253 102 G C 0.228 175.135 174.900 0.012 0.000 0.979 102 G CA -0.323 44.790 45.100 0.022 0.000 0.641 102 G HN 0.566 nan 8.290 nan 0.000 0.530 103 E N 0.868 121.072 120.200 0.006 0.000 2.319 103 E HA 0.344 4.694 4.350 0.000 0.000 0.268 103 E C -0.445 176.155 176.600 0.000 0.000 1.050 103 E CA -0.636 55.763 56.400 -0.002 0.000 0.878 103 E CB 1.071 30.764 29.700 -0.013 0.000 1.066 103 E HN 0.255 nan 8.360 nan 0.000 0.406 104 D N 3.397 123.793 120.400 -0.008 0.000 2.338 104 D HA 0.040 4.680 4.640 0.000 0.000 0.255 104 D C -1.504 174.776 176.300 -0.033 0.000 1.237 104 D CA -1.823 52.169 54.000 -0.014 0.000 0.883 104 D CB 0.986 41.774 40.800 -0.021 0.000 1.087 104 D HN 0.043 nan 8.370 nan 0.000 0.485 105 P HA -0.130 nan 4.420 nan 0.000 0.223 105 P C 0.356 177.585 177.300 -0.118 0.000 1.144 105 P CA 0.862 63.927 63.100 -0.057 0.000 0.783 105 P CB 0.332 32.016 31.700 -0.026 0.000 0.771 106 N N -0.173 118.454 118.700 -0.122 0.000 2.409 106 N HA -0.048 4.692 4.740 0.000 0.000 0.179 106 N C 0.215 175.620 175.510 -0.175 0.000 1.032 106 N CA 0.506 53.452 53.050 -0.174 0.000 0.898 106 N CB -0.309 38.090 38.487 -0.146 0.000 0.971 106 N HN 0.046 nan 8.380 nan 0.000 0.441 107 D N 0.737 121.067 120.400 -0.116 0.000 2.713 107 D HA 0.131 4.771 4.640 0.000 0.000 0.229 107 D C 1.081 177.330 176.300 -0.084 0.000 1.136 107 D CA -0.022 53.925 54.000 -0.088 0.000 1.010 107 D CB -0.082 40.691 40.800 -0.046 0.000 1.084 107 D HN 0.279 nan 8.370 nan 0.000 0.495 108 I N -0.190 120.288 120.570 -0.154 0.000 2.163 108 I HA -0.259 3.911 4.170 0.000 0.000 0.243 108 I C 2.039 178.171 176.117 0.026 0.000 1.085 108 I CA 1.145 62.367 61.300 -0.130 0.000 1.347 108 I CB 0.068 37.852 38.000 -0.360 0.000 1.044 108 I HN 0.166 nan 8.210 nan 0.000 0.408 109 D N 0.752 121.164 120.400 0.020 0.000 2.144 109 D HA -0.190 4.450 4.640 0.000 0.000 0.200 109 D C 2.164 178.519 176.300 0.093 0.000 0.978 109 D CA 1.047 55.089 54.000 0.070 0.000 0.833 109 D CB 0.130 40.943 40.800 0.022 0.000 0.961 109 D HN 0.273 nan 8.370 nan 0.000 0.470 110 K N 0.687 121.119 120.400 0.053 0.000 2.057 110 K HA -0.119 4.201 4.320 0.000 0.000 0.207 110 K C 2.325 178.975 176.600 0.082 0.000 1.049 110 K CA 0.751 57.075 56.287 0.061 0.000 0.931 110 K CB -0.026 32.491 32.500 0.028 0.000 0.714 110 K HN 0.105 nan 8.250 nan 0.000 0.440 111 I N 0.036 120.642 120.570 0.061 0.000 2.252 111 I HA -0.282 3.888 4.170 0.000 0.000 0.245 111 I C 2.144 178.307 176.117 0.076 0.000 1.102 111 I CA 1.171 62.497 61.300 0.044 0.000 1.385 111 I CB -0.290 37.711 38.000 0.001 0.000 1.064 111 I HN 0.238 nan 8.210 nan 0.000 0.414 112 Y N 1.521 121.825 120.300 0.007 0.000 2.128 112 Y HA -0.351 4.199 4.550 0.000 0.000 0.284 112 Y C 2.802 178.709 175.900 0.012 0.000 1.154 112 Y CA 2.323 60.431 58.100 0.014 0.000 1.149 112 Y CB -0.265 38.211 38.460 0.027 0.000 0.976 112 Y HN 0.091 nan 8.280 nan 0.000 0.505 113 T N 0.069 114.783 114.554 0.266 0.000 2.788 113 T HA -0.233 4.117 4.350 0.000 0.000 0.268 113 T C 1.842 176.672 174.700 0.217 0.000 1.044 113 T CA 1.715 63.929 62.100 0.190 0.000 1.139 113 T CB -0.256 68.727 68.868 0.190 0.000 0.867 113 T HN 0.285 nan 8.240 nan 0.000 0.454 114 K N 0.720 121.237 120.400 0.194 0.000 2.097 114 K HA 0.009 4.329 4.320 0.000 0.000 0.206 114 K C 2.179 178.855 176.600 0.127 0.000 1.049 114 K CA 0.974 57.375 56.287 0.189 0.000 0.933 114 K CB -0.229 32.328 32.500 0.094 0.000 0.717 114 K HN 0.306 nan 8.250 nan 0.000 0.442 115 L N 0.863 122.104 121.223 0.030 0.000 2.093 115 L HA -0.156 4.184 4.340 0.000 0.000 0.208 115 L C 2.356 179.219 176.870 -0.011 0.000 1.085 115 L CA 0.787 55.599 54.840 -0.047 0.000 0.755 115 L CB -0.320 41.638 42.059 -0.169 0.000 0.904 115 L HN 0.219 nan 8.230 nan 0.000 0.435 116 L N -1.756 119.461 121.223 -0.009 0.000 2.056 116 L HA -0.198 4.142 4.340 0.000 0.000 0.207 116 L C 2.401 179.226 176.870 -0.075 0.000 1.078 116 L CA 1.591 56.395 54.840 -0.060 0.000 0.749 116 L CB -0.464 41.523 42.059 -0.121 0.000 0.901 116 L HN 0.324 nan 8.230 nan 0.000 0.433 117 W N -0.396 120.927 121.300 0.038 0.000 2.388 117 W HA -0.157 4.503 4.660 0.000 0.000 0.294 117 W C 2.636 179.164 176.519 0.016 0.000 1.212 117 W CA 0.784 58.145 57.345 0.026 0.000 1.271 117 W CB -0.170 29.300 29.460 0.017 0.000 1.126 117 W HN 0.086 nan 8.180 nan 0.000 0.535 118 A N -0.269 122.686 122.820 0.225 0.000 2.070 118 A HA 0.015 4.335 4.320 0.000 0.000 0.220 118 A C 1.836 179.483 177.584 0.105 0.000 1.159 118 A CA 1.618 53.726 52.037 0.117 0.000 0.656 118 A CB -0.930 18.086 19.000 0.026 0.000 0.800 118 A HN 0.255 nan 8.150 nan 0.000 0.453 119 G N -1.953 106.922 108.800 0.125 0.000 4.432 119 G HA2 0.433 4.393 3.960 0.000 0.000 0.294 119 G HA3 0.433 4.393 3.960 0.000 0.000 0.294 119 G C 0.921 175.876 174.900 0.092 0.000 1.141 119 G CA 0.761 45.964 45.100 0.171 0.000 0.895 119 G HN 0.529 nan 8.290 nan 0.000 0.548 120 A N 0.430 123.304 122.820 0.089 0.000 1.948 120 A HA -0.095 4.225 4.320 0.000 0.000 0.220 120 A C 2.525 180.120 177.584 0.018 0.000 1.177 120 A CA 2.318 54.371 52.037 0.026 0.000 0.636 120 A CB -0.436 18.650 19.000 0.144 0.000 0.815 120 A HN 0.476 nan 8.150 nan 0.000 0.449 121 S N -0.723 115.006 115.700 0.047 0.000 2.419 121 S HA -0.102 4.368 4.470 0.000 0.000 0.233 121 S C 1.456 176.050 174.600 -0.010 0.000 1.016 121 S CA 1.544 59.760 58.200 0.027 0.000 0.974 121 S CB -0.494 62.729 63.200 0.039 0.000 0.786 121 S HN 0.906 nan 8.310 nan 0.000 0.492 122 V N -1.305 118.588 119.914 -0.035 0.000 3.342 122 V HA 0.651 4.771 4.120 0.000 0.000 0.322 122 V C 0.808 176.847 176.094 -0.092 0.000 1.370 122 V CA -0.060 62.187 62.300 -0.089 0.000 1.170 122 V CB -1.087 30.621 31.823 -0.191 0.000 1.101 122 V HN 0.499 nan 8.190 nan 0.000 0.442 123 G N 1.530 110.291 108.800 -0.065 0.000 2.728 123 G HA2 -0.173 3.787 3.960 0.000 0.000 0.294 123 G HA3 -0.173 3.787 3.960 0.000 0.000 0.294 123 G C -0.078 174.789 174.900 -0.055 0.000 1.342 123 G CA -0.084 44.980 45.100 -0.060 0.000 0.866 123 G HN 0.457 nan 8.290 nan 0.000 0.534 124 R N 0.057 120.536 120.500 -0.035 0.000 2.629 124 R HA 0.477 4.818 4.340 0.000 0.000 0.386 124 R C 0.553 176.875 176.300 0.036 0.000 1.071 124 R CA 0.512 56.609 56.100 -0.004 0.000 1.104 124 R CB 0.675 30.959 30.300 -0.028 0.000 1.370 124 R HN 1.052 nan 8.270 nan 0.000 0.574 125 S N -1.748 113.966 115.700 0.023 0.000 2.656 125 S HA 0.797 5.267 4.470 0.000 0.000 0.273 125 S C 0.347 174.959 174.600 0.019 0.000 1.168 125 S CA -0.268 57.957 58.200 0.042 0.000 0.817 125 S CB 2.043 65.267 63.200 0.040 0.000 1.146 125 S HN 0.298 nan 8.310 nan 0.000 0.475 126 G N 1.329 110.148 108.800 0.030 0.000 2.562 126 G HA2 -0.306 3.654 3.960 0.000 0.000 0.250 126 G HA3 -0.306 3.654 3.960 0.000 0.000 0.250 126 G C 0.684 175.582 174.900 -0.004 0.000 1.269 126 G CA 0.442 45.547 45.100 0.010 0.000 0.919 126 G HN 1.442 nan 8.290 nan 0.000 0.574 127 M N 0.116 119.699 119.600 -0.027 0.000 2.089 127 M HA -0.128 4.352 4.480 0.000 0.000 0.257 127 M C 2.854 179.123 176.300 -0.051 0.000 1.071 127 M CA 3.589 58.867 55.300 -0.036 0.000 1.096 127 M CB -0.620 31.951 32.600 -0.048 0.000 1.330 127 M HN 1.339 nan 8.290 nan 0.000 0.403 128 A N -0.402 122.345 122.820 -0.122 0.000 1.908 128 A HA -0.175 4.145 4.320 0.000 0.000 0.218 128 A C 2.038 179.628 177.584 0.010 0.000 1.181 128 A CA 2.267 54.203 52.037 -0.168 0.000 0.627 128 A CB -1.441 17.397 19.000 -0.270 0.000 0.818 128 A HN 0.652 nan 8.150 nan 0.000 0.445 129 V N -2.923 117.007 119.914 0.026 0.000 2.871 129 V HA -0.160 3.960 4.120 0.000 0.000 0.256 129 V C 1.901 178.037 176.094 0.070 0.000 1.082 129 V CA 1.959 64.305 62.300 0.077 0.000 1.105 129 V CB -0.947 30.973 31.823 0.163 0.000 0.713 129 V HN 0.588 nan 8.190 nan 0.000 0.473 130 Q N 0.474 120.303 119.800 0.049 0.000 2.369 130 Q HA 0.168 4.508 4.340 0.000 0.000 0.206 130 Q C 2.255 178.278 176.000 0.038 0.000 0.963 130 Q CA 1.212 57.037 55.803 0.037 0.000 0.894 130 Q CB -0.127 28.612 28.738 0.002 0.000 0.965 130 Q HN 0.806 nan 8.270 nan 0.000 0.475 131 A N 0.063 122.913 122.820 0.050 0.000 2.081 131 A HA 0.020 4.340 4.320 0.000 0.000 0.214 131 A C 1.759 179.340 177.584 -0.006 0.000 1.158 131 A CA 0.420 52.491 52.037 0.057 0.000 0.724 131 A CB -0.015 19.077 19.000 0.153 0.000 0.826 131 A HN 0.258 nan 8.150 nan 0.000 0.463 132 I N -0.718 119.826 120.570 -0.044 0.000 2.852 132 I HA -0.107 4.064 4.170 0.000 0.000 0.264 132 I C 2.346 178.408 176.117 -0.091 0.000 1.179 132 I CA 0.539 61.737 61.300 -0.171 0.000 1.480 132 I CB -0.082 37.658 38.000 -0.433 0.000 1.111 132 I HN 0.172 nan 8.210 nan 0.000 0.441 133 S N 1.718 117.423 115.700 0.008 0.000 2.368 133 S HA -0.156 4.314 4.470 0.000 0.000 0.226 133 S C -0.391 174.232 174.600 0.039 0.000 1.044 133 S CA 1.864 60.100 58.200 0.060 0.000 1.062 133 S CB -1.444 61.793 63.200 0.061 0.000 0.931 133 S HN 0.304 nan 8.310 nan 0.000 0.440 134 P HA -0.064 nan 4.420 nan 0.000 0.215 134 P C 1.308 178.641 177.300 0.055 0.000 1.153 134 P CA 1.016 64.153 63.100 0.063 0.000 0.853 134 P CB -0.116 31.644 31.700 0.100 0.000 0.788 135 I N -0.562 120.016 120.570 0.015 0.000 2.202 135 I HA -0.244 3.926 4.170 0.000 0.000 0.242 135 I C 2.231 178.369 176.117 0.036 0.000 1.091 135 I CA 1.839 63.136 61.300 -0.005 0.000 1.368 135 I CB -0.781 37.172 38.000 -0.079 0.000 1.058 135 I HN -0.043 nan 8.210 nan 0.000 0.410 136 D N 1.332 121.770 120.400 0.063 0.000 2.104 136 D HA -0.196 4.444 4.640 0.000 0.000 0.194 136 D C 2.168 178.642 176.300 0.291 0.000 0.994 136 D CA 1.516 55.636 54.000 0.201 0.000 0.830 136 D CB -0.021 40.981 40.800 0.336 0.000 0.959 136 D HN 0.280 nan 8.370 nan 0.000 0.452 137 I N 0.378 121.067 120.570 0.199 0.000 2.226 137 I HA -0.232 3.938 4.170 0.000 0.000 0.245 137 I C 2.492 178.711 176.117 0.170 0.000 1.100 137 I CA 0.994 62.395 61.300 0.167 0.000 1.374 137 I CB -0.372 37.627 38.000 -0.001 0.000 1.057 137 I HN 0.094 nan 8.210 nan 0.000 0.413 138 A N 0.985 123.881 122.820 0.127 0.000 1.902 138 A HA -0.158 4.162 4.320 0.000 0.000 0.217 138 A C 2.296 179.941 177.584 0.102 0.000 1.181 138 A CA 1.383 53.492 52.037 0.121 0.000 0.623 138 A CB -0.802 18.261 19.000 0.106 0.000 0.818 138 A HN 0.388 nan 8.150 nan 0.000 0.443 139 L N -2.833 118.431 121.223 0.069 0.000 2.083 139 L HA -0.203 4.137 4.340 0.000 0.000 0.209 139 L C 2.570 179.397 176.870 -0.071 0.000 1.083 139 L CA 1.209 56.032 54.840 -0.028 0.000 0.752 139 L CB -0.478 41.523 42.059 -0.098 0.000 0.899 139 L HN 0.600 nan 8.230 nan 0.000 0.433 140 W N 0.631 121.930 121.300 -0.002 0.000 2.388 140 W HA -0.198 4.462 4.660 0.000 0.000 0.294 140 W C 2.387 178.882 176.519 -0.041 0.000 1.212 140 W CA 1.379 58.709 57.345 -0.025 0.000 1.271 140 W CB -0.270 29.173 29.460 -0.029 0.000 1.126 140 W HN 0.232 nan 8.180 nan 0.000 0.535 141 D N -0.047 120.472 120.400 0.198 0.000 2.123 141 D HA -0.275 4.365 4.640 0.000 0.000 0.196 141 D C 2.155 178.506 176.300 0.085 0.000 0.992 141 D CA 1.975 56.043 54.000 0.113 0.000 0.833 141 D CB -0.384 40.487 40.800 0.118 0.000 0.954 141 D HN 0.057 nan 8.370 nan 0.000 0.455 142 M N -0.126 119.516 119.600 0.070 0.000 2.086 142 M HA -0.177 4.303 4.480 0.000 0.000 0.261 142 M C 2.178 178.442 176.300 -0.060 0.000 1.067 142 M CA 1.542 56.867 55.300 0.041 0.000 1.116 142 M CB -0.120 32.504 32.600 0.039 0.000 1.348 142 M HN -0.069 nan 8.290 nan 0.000 0.407 143 K N 0.088 120.427 120.400 -0.102 0.000 2.063 143 K HA -0.155 4.165 4.320 0.000 0.000 0.208 143 K C 1.775 178.311 176.600 -0.107 0.000 1.048 143 K CA 1.528 57.715 56.287 -0.167 0.000 0.928 143 K CB -0.202 32.163 32.500 -0.226 0.000 0.713 143 K HN 0.447 nan 8.250 nan 0.000 0.442 144 A N 1.354 124.163 122.820 -0.018 0.000 1.877 144 A HA -0.187 4.133 4.320 0.000 0.000 0.216 144 A C 1.922 179.470 177.584 -0.060 0.000 1.186 144 A CA 1.778 53.802 52.037 -0.020 0.000 0.620 144 A CB -0.386 18.616 19.000 0.003 0.000 0.822 144 A HN 0.319 nan 8.150 nan 0.000 0.443 145 K N -0.846 119.555 120.400 0.001 0.000 2.057 145 K HA -0.144 4.176 4.320 0.000 0.000 0.207 145 K C 2.342 178.956 176.600 0.023 0.000 1.049 145 K CA 1.416 57.753 56.287 0.082 0.000 0.931 145 K CB -0.187 32.427 32.500 0.191 0.000 0.714 145 K HN 0.470 nan 8.250 nan 0.000 0.440 146 R N 0.680 121.078 120.500 -0.170 0.000 2.127 146 R HA -0.127 4.213 4.340 0.000 0.000 0.238 146 R C 1.712 177.890 176.300 -0.204 0.000 1.134 146 R CA 1.534 57.361 56.100 -0.455 0.000 0.975 146 R CB -0.095 29.736 30.300 -0.782 0.000 0.865 146 R HN 0.182 nan 8.270 nan 0.000 0.447 147 A N -0.348 122.375 122.820 -0.162 0.000 2.275 147 A HA 0.236 4.556 4.320 0.000 0.000 0.212 147 A C 1.099 178.584 177.584 -0.165 0.000 1.201 147 A CA 0.560 52.520 52.037 -0.128 0.000 0.843 147 A CB 0.041 18.976 19.000 -0.109 0.000 0.873 147 A HN 0.513 nan 8.150 nan 0.000 0.492 148 G N -0.533 108.116 108.800 -0.250 0.000 2.272 148 G HA2 -0.191 3.769 3.960 0.000 0.000 0.280 148 G HA3 -0.191 3.769 3.960 0.000 0.000 0.280 148 G C -0.240 174.152 174.900 -0.847 0.000 1.067 148 G CA 0.674 45.404 45.100 -0.615 0.000 0.902 148 G HN 0.570 nan 8.290 nan 0.000 0.500 149 L N -1.264 119.611 121.223 -0.580 0.000 2.393 149 L HA 0.546 4.886 4.340 0.000 0.000 0.260 149 L C -2.420 174.387 176.870 -0.105 0.000 1.002 149 L CA -2.684 51.991 54.840 -0.274 0.000 0.818 149 L CB 2.564 44.547 42.059 -0.126 0.000 1.369 149 L HN -0.149 nan 8.230 nan 0.000 0.412 150 P HA 0.059 nan 4.420 nan 0.000 0.272 150 P C 0.421 177.698 177.300 -0.038 0.000 1.223 150 P CA -0.420 62.715 63.100 0.058 0.000 0.784 150 P CB 0.745 32.540 31.700 0.158 0.000 0.923 151 L N 3.749 124.813 121.223 -0.266 0.000 2.043 151 L HA -0.247 4.093 4.340 0.000 0.000 0.212 151 L C 2.091 178.930 176.870 -0.051 0.000 1.075 151 L CA 2.468 57.154 54.840 -0.258 0.000 0.752 151 L CB -1.623 40.096 42.059 -0.568 0.000 0.891 151 L HN 0.425 nan 8.230 nan 0.000 0.432 152 A N -0.867 122.052 122.820 0.164 0.000 1.948 152 A HA -0.225 4.095 4.320 0.000 0.000 0.220 152 A C 2.251 179.882 177.584 0.077 0.000 1.177 152 A CA 1.910 54.057 52.037 0.184 0.000 0.636 152 A CB -0.515 18.634 19.000 0.248 0.000 0.815 152 A HN 0.439 nan 8.150 nan 0.000 0.449 153 K N -0.847 119.591 120.400 0.062 0.000 2.155 153 K HA -0.008 4.312 4.320 0.000 0.000 0.203 153 K C 1.875 178.482 176.600 0.012 0.000 1.052 153 K CA 1.028 57.330 56.287 0.024 0.000 0.948 153 K CB -0.672 31.839 32.500 0.018 0.000 0.728 153 K HN 0.489 nan 8.250 nan 0.000 0.448 154 L N 1.205 122.439 121.223 0.018 0.000 2.046 154 L HA -0.092 4.248 4.340 0.000 0.000 0.208 154 L C 1.948 178.857 176.870 0.065 0.000 1.077 154 L CA 1.480 56.344 54.840 0.040 0.000 0.747 154 L CB -0.416 41.687 42.059 0.073 0.000 0.896 154 L HN 0.029 nan 8.230 nan 0.000 0.432 155 L N -0.133 121.119 121.223 0.049 0.000 2.156 155 L HA 0.207 4.547 4.340 0.000 0.000 0.208 155 L C 0.898 177.777 176.870 0.015 0.000 1.095 155 L CA 0.467 55.325 54.840 0.030 0.000 0.770 155 L CB -0.904 41.139 42.059 -0.026 0.000 0.914 155 L HN 0.519 nan 8.230 nan 0.000 0.439 156 G N 0.161 108.960 108.800 -0.002 0.000 3.434 156 G HA2 0.150 4.110 3.960 0.000 0.000 0.686 156 G HA3 0.150 4.110 3.960 0.000 0.000 0.686 156 G C -0.630 174.226 174.900 -0.074 0.000 1.099 156 G CA -0.551 44.519 45.100 -0.050 0.000 0.931 156 G HN 0.378 nan 8.290 nan 0.000 0.520 157 A N 2.851 125.619 122.820 -0.087 0.000 2.294 157 A HA 0.875 5.195 4.320 0.000 0.000 0.330 157 A C 0.673 178.147 177.584 -0.183 0.000 1.133 157 A CA -0.451 51.547 52.037 -0.065 0.000 0.836 157 A CB 0.922 19.919 19.000 -0.006 0.000 1.190 157 A HN 0.914 nan 8.150 nan 0.000 0.492 158 H N 0.364 119.433 119.070 -0.002 0.000 2.874 158 H HA 0.165 4.721 4.556 0.000 0.000 0.264 158 H C 0.143 175.455 175.328 -0.026 0.000 1.007 158 H CA 0.776 56.815 56.048 -0.016 0.000 1.207 158 H CB 0.546 30.295 29.762 -0.021 0.000 1.487 158 H HN 0.763 nan 8.280 nan 0.000 0.505 159 R N -0.322 120.213 120.500 0.058 0.000 2.692 159 R HA 0.221 4.561 4.340 0.000 0.000 0.269 159 R C -1.260 175.011 176.300 -0.048 0.000 1.030 159 R CA -0.630 55.461 56.100 -0.015 0.000 0.882 159 R CB 1.055 31.325 30.300 -0.051 0.000 1.250 159 R HN -0.264 nan 8.270 nan 0.000 0.465 160 D N 0.589 120.936 120.400 -0.089 0.000 2.369 160 D HA 0.092 4.732 4.640 0.000 0.000 0.211 160 D C -0.220 175.955 176.300 -0.208 0.000 1.077 160 D CA 0.602 54.564 54.000 -0.064 0.000 0.842 160 D CB 0.737 41.570 40.800 0.056 0.000 0.947 160 D HN 0.584 nan 8.370 nan 0.000 0.509 161 S N -0.528 114.928 115.700 -0.407 0.000 2.565 161 S HA 0.579 5.049 4.470 0.000 0.000 0.269 161 S C -0.867 173.466 174.600 -0.444 0.000 1.153 161 S CA -0.922 56.895 58.200 -0.637 0.000 0.835 161 S CB 2.262 64.486 63.200 -1.625 0.000 1.122 161 S HN -0.022 nan 8.310 nan 0.000 0.462 162 V N -0.631 119.064 119.914 -0.364 0.000 2.789 162 V HA 0.631 4.751 4.120 0.000 0.000 0.311 162 V C -0.588 175.346 176.094 -0.266 0.000 1.073 162 V CA -0.926 61.218 62.300 -0.260 0.000 0.921 162 V CB 1.448 33.192 31.823 -0.131 0.000 1.009 162 V HN 1.053 nan 8.190 nan 0.000 0.426 163 Q N 2.067 121.643 119.800 -0.374 0.000 2.310 163 Q HA 0.256 4.596 4.340 0.000 0.000 0.315 163 Q C -0.266 175.631 176.000 -0.171 0.000 1.081 163 Q CA 0.600 56.099 55.803 -0.508 0.000 0.981 163 Q CB 0.843 28.812 28.738 -1.282 0.000 1.184 163 Q HN 0.903 nan 8.270 nan 0.000 0.389 164 C N 4.190 123.522 119.300 0.054 0.000 2.547 164 C HA 0.708 5.168 4.460 0.000 0.000 0.313 164 C C -1.384 173.860 174.990 0.423 0.000 1.191 164 C CA -0.662 58.509 59.018 0.256 0.000 1.474 164 C CB 0.209 28.012 27.740 0.105 0.000 2.081 164 C HN 0.842 nan 8.230 nan 0.000 0.476 165 Y N 4.507 125.014 120.300 0.346 0.000 2.524 165 Y HA 0.600 5.150 4.550 0.000 0.000 0.344 165 Y C -0.454 175.502 175.900 0.093 0.000 1.012 165 Y CA -1.035 57.157 58.100 0.152 0.000 1.068 165 Y CB 0.815 39.213 38.460 -0.104 0.000 1.249 165 Y HN 0.729 nan 8.280 nan 0.000 0.468 166 N N 1.023 119.776 118.700 0.087 0.000 2.473 166 N HA 0.294 5.034 4.740 0.000 0.000 0.291 166 N C -0.601 174.892 175.510 -0.029 0.000 1.083 166 N CA -0.104 52.938 53.050 -0.013 0.000 0.951 166 N CB 2.083 40.583 38.487 0.021 0.000 1.164 166 N HN 0.979 nan 8.380 nan 0.000 0.480 167 T N 0.235 114.620 114.554 -0.283 0.000 3.019 167 T HA -0.038 4.312 4.350 0.000 0.000 0.247 167 T C 1.791 176.275 174.700 -0.360 0.000 0.992 167 T CA 0.579 62.471 62.100 -0.347 0.000 1.036 167 T CB -0.205 68.382 68.868 -0.467 0.000 1.063 167 T HN 0.715 nan 8.240 nan 0.000 0.476 168 S N 1.493 116.871 115.700 -0.536 0.000 2.440 168 S HA -0.009 4.461 4.470 0.000 0.000 0.238 168 S C 2.007 176.737 174.600 0.216 0.000 1.010 168 S CA 1.166 59.317 58.200 -0.081 0.000 0.972 168 S CB -0.655 62.414 63.200 -0.217 0.000 0.774 168 S HN 0.483 nan 8.310 nan 0.000 0.501 169 G N 0.069 108.918 108.800 0.083 0.000 3.189 169 G HA2 0.471 4.431 3.960 0.000 0.000 0.225 169 G HA3 0.471 4.431 3.960 0.000 0.000 0.225 169 G C 0.637 175.563 174.900 0.043 0.000 1.159 169 G CA 0.060 45.213 45.100 0.089 0.000 0.763 169 G HN 0.635 nan 8.290 nan 0.000 0.549 170 G N 0.059 108.867 108.800 0.013 0.000 4.144 170 G HA2 0.431 4.391 3.960 0.000 0.000 0.297 170 G HA3 0.431 4.391 3.960 0.000 0.000 0.297 170 G C -0.338 174.466 174.900 -0.161 0.000 1.090 170 G CA -0.547 44.498 45.100 -0.092 0.000 0.870 170 G HN 0.151 nan 8.290 nan 0.000 0.532 171 F N -0.065 119.819 119.950 -0.110 0.000 2.406 171 F HA 0.331 4.858 4.527 0.000 0.000 0.327 171 F C 1.672 177.358 175.800 -0.190 0.000 1.153 171 F CA -0.458 57.478 58.000 -0.106 0.000 1.218 171 F CB 1.364 40.346 39.000 -0.031 0.000 1.215 171 F HN -0.117 nan 8.300 nan 0.000 0.570 172 L N 1.030 122.320 121.223 0.112 0.000 2.465 172 L HA -0.175 4.165 4.340 0.000 0.000 0.224 172 L C 1.789 178.701 176.870 0.070 0.000 1.145 172 L CA 0.732 55.607 54.840 0.058 0.000 0.834 172 L CB -0.689 41.419 42.059 0.081 0.000 0.944 172 L HN 0.732 nan 8.230 nan 0.000 0.451 173 H N -3.494 115.669 119.070 0.155 0.000 2.551 173 H HA 0.112 4.668 4.556 0.000 0.000 0.266 173 H C 0.333 175.712 175.328 0.084 0.000 0.977 173 H CA -0.038 56.069 56.048 0.098 0.000 1.163 173 H CB -0.592 29.218 29.762 0.079 0.000 1.381 173 H HN -0.065 nan 8.280 nan 0.000 0.581 174 T N 3.445 117.832 114.554 -0.279 0.000 2.744 174 T HA 0.261 4.611 4.350 0.000 0.000 0.291 174 T C -2.477 172.196 174.700 -0.046 0.000 0.957 174 T CA -1.468 60.543 62.100 -0.149 0.000 1.002 174 T CB 1.445 70.195 68.868 -0.197 0.000 0.919 174 T HN 0.172 nan 8.240 nan 0.000 0.468 175 P HA 0.073 nan 4.420 nan 0.000 0.269 175 P C 1.022 178.315 177.300 -0.010 0.000 1.209 175 P CA -0.550 62.551 63.100 0.002 0.000 0.776 175 P CB 0.499 32.208 31.700 0.015 0.000 0.876 176 L N 3.219 124.435 121.223 -0.012 0.000 2.051 176 L HA -0.248 4.092 4.340 0.000 0.000 0.214 176 L C 1.835 178.694 176.870 -0.018 0.000 1.076 176 L CA 2.038 56.866 54.840 -0.020 0.000 0.758 176 L CB -1.191 40.857 42.059 -0.018 0.000 0.890 176 L HN 0.491 nan 8.230 nan 0.000 0.433 177 D N -1.250 119.144 120.400 -0.009 0.000 2.116 177 D HA -0.304 4.336 4.640 0.000 0.000 0.193 177 D C 1.992 178.288 176.300 -0.006 0.000 0.998 177 D CA 1.777 55.773 54.000 -0.006 0.000 0.836 177 D CB 0.081 40.881 40.800 0.001 0.000 0.951 177 D HN 0.539 nan 8.370 nan 0.000 0.449 178 Q N 0.408 120.208 119.800 -0.001 0.000 2.167 178 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 178 Q C 2.221 178.219 176.000 -0.003 0.000 0.970 178 Q CA 1.017 56.823 55.803 0.005 0.000 0.855 178 Q CB -0.296 28.452 28.738 0.016 0.000 0.911 178 Q HN 0.197 nan 8.270 nan 0.000 0.438 179 V N 0.447 120.351 119.914 -0.016 0.000 2.343 179 V HA -0.260 3.860 4.120 0.000 0.000 0.247 179 V C 2.254 178.330 176.094 -0.030 0.000 1.051 179 V CA 1.731 64.016 62.300 -0.026 0.000 1.036 179 V CB -0.587 31.210 31.823 -0.043 0.000 0.654 179 V HN 0.383 nan 8.190 nan 0.000 0.451 180 L N -0.649 120.555 121.223 -0.031 0.000 2.131 180 L HA -0.186 4.154 4.340 0.000 0.000 0.210 180 L C 2.561 179.412 176.870 -0.032 0.000 1.092 180 L CA 1.588 56.406 54.840 -0.036 0.000 0.759 180 L CB -0.580 41.459 42.059 -0.032 0.000 0.903 180 L HN 0.298 nan 8.230 nan 0.000 0.435 181 K N -0.222 120.166 120.400 -0.019 0.000 2.097 181 K HA -0.102 4.218 4.320 0.000 0.000 0.205 181 K C 1.912 178.505 176.600 -0.011 0.000 1.050 181 K CA 1.082 57.361 56.287 -0.013 0.000 0.938 181 K CB -0.112 32.388 32.500 -0.000 0.000 0.718 181 K HN 0.288 nan 8.250 nan 0.000 0.442 182 N N 0.746 119.443 118.700 -0.005 0.000 2.120 182 N HA -0.131 4.609 4.740 0.000 0.000 0.188 182 N C 1.886 177.386 175.510 -0.016 0.000 1.024 182 N CA 0.952 54.003 53.050 0.003 0.000 0.852 182 N CB -0.450 38.047 38.487 0.016 0.000 1.003 182 N HN -0.065 nan 8.380 nan 0.000 0.424 183 V N 1.093 120.986 119.914 -0.036 0.000 2.324 183 V HA -0.197 3.923 4.120 0.000 0.000 0.250 183 V C 2.456 178.497 176.094 -0.090 0.000 1.060 183 V CA 1.282 63.544 62.300 -0.064 0.000 1.042 183 V CB -0.535 31.237 31.823 -0.085 0.000 0.650 183 V HN 0.071 nan 8.190 nan 0.000 0.450 184 V N -0.283 119.586 119.914 -0.075 0.000 2.307 184 V HA -0.246 3.874 4.120 0.000 0.000 0.245 184 V C 2.172 178.234 176.094 -0.053 0.000 1.045 184 V CA 2.188 64.442 62.300 -0.076 0.000 1.024 184 V CB -0.483 31.307 31.823 -0.054 0.000 0.651 184 V HN 0.438 nan 8.190 nan 0.000 0.449 185 I N 0.038 120.591 120.570 -0.028 0.000 2.163 185 I HA -0.252 3.918 4.170 0.000 0.000 0.243 185 I C 2.599 178.707 176.117 -0.015 0.000 1.085 185 I CA 1.785 63.078 61.300 -0.011 0.000 1.347 185 I CB -0.484 37.521 38.000 0.009 0.000 1.044 185 I HN 0.267 nan 8.210 nan 0.000 0.408 186 S N 0.139 115.827 115.700 -0.021 0.000 2.356 186 S HA -0.201 4.269 4.470 0.000 0.000 0.223 186 S C 2.085 176.677 174.600 -0.014 0.000 1.032 186 S CA 1.259 59.446 58.200 -0.022 0.000 1.005 186 S CB -0.339 62.856 63.200 -0.009 0.000 0.867 186 S HN 0.337 nan 8.310 nan 0.000 0.449 187 R N 1.079 121.547 120.500 -0.054 0.000 2.081 187 R HA -0.070 4.270 4.340 0.000 0.000 0.235 187 R C 1.826 178.105 176.300 -0.034 0.000 1.131 187 R CA 1.219 57.267 56.100 -0.087 0.000 0.960 187 R CB -0.079 30.058 30.300 -0.272 0.000 0.856 187 R HN 0.212 nan 8.270 nan 0.000 0.436 188 E N 0.159 120.337 120.200 -0.036 0.000 2.338 188 E HA -0.097 4.253 4.350 0.000 0.000 0.197 188 E C 0.781 177.384 176.600 0.005 0.000 1.007 188 E CA 0.647 57.038 56.400 -0.014 0.000 0.849 188 E CB -0.131 29.560 29.700 -0.016 0.000 0.774 188 E HN 0.364 nan 8.360 nan 0.000 0.506 189 N N -0.107 118.596 118.700 0.006 0.000 2.314 189 N HA 0.032 4.772 4.740 0.000 0.000 0.200 189 N C 0.652 176.178 175.510 0.027 0.000 1.135 189 N CA 0.695 53.752 53.050 0.011 0.000 0.835 189 N CB 1.090 39.574 38.487 -0.005 0.000 0.989 189 N HN 0.211 nan 8.380 nan 0.000 0.478 190 G N 1.452 110.283 108.800 0.051 0.000 2.132 190 G HA2 -0.264 3.696 3.960 0.000 0.000 0.234 190 G HA3 -0.264 3.696 3.960 0.000 0.000 0.234 190 G C 0.146 175.118 174.900 0.120 0.000 0.989 190 G CA -0.238 44.917 45.100 0.092 0.000 0.676 190 G HN 0.315 nan 8.290 nan 0.000 0.522 191 I N 1.214 121.856 120.570 0.119 0.000 2.754 191 I HA 0.515 4.685 4.170 0.000 0.000 0.285 191 I C 1.562 177.861 176.117 0.304 0.000 1.166 191 I CA 1.065 62.459 61.300 0.157 0.000 1.417 191 I CB 1.195 39.273 38.000 0.131 0.000 1.382 191 I HN 0.171 nan 8.210 nan 0.000 0.588 192 G N 4.575 113.515 108.800 0.234 0.000 3.088 192 G HA2 0.549 4.509 3.960 0.000 0.000 0.217 192 G HA3 0.549 4.509 3.960 0.000 0.000 0.217 192 G C 0.296 175.178 174.900 -0.031 0.000 1.159 192 G CA 0.456 45.635 45.100 0.132 0.000 0.760 192 G HN 1.052 nan 8.290 nan 0.000 0.550 193 G N -0.472 108.407 108.800 0.131 0.000 2.489 193 G HA2 0.445 4.405 3.960 0.000 0.000 0.291 193 G HA3 0.445 4.405 3.960 0.000 0.000 0.291 193 G C -1.977 173.026 174.900 0.172 0.000 1.487 193 G CA -0.672 44.402 45.100 -0.043 0.000 0.795 193 G HN 0.003 nan 8.290 nan 0.000 0.513 194 I N 0.590 121.183 120.570 0.037 0.000 2.498 194 I HA 0.506 4.676 4.170 0.000 0.000 0.290 194 I C -0.332 175.675 176.117 -0.184 0.000 1.032 194 I CA -0.887 60.426 61.300 0.022 0.000 1.073 194 I CB 1.971 40.010 38.000 0.064 0.000 1.251 194 I HN 0.516 nan 8.210 nan 0.000 0.426 195 K N 5.896 126.222 120.400 -0.125 0.000 2.323 195 K HA 0.555 4.875 4.320 0.000 0.000 0.259 195 K C -1.701 174.778 176.600 -0.201 0.000 0.947 195 K CA -0.656 55.477 56.287 -0.255 0.000 0.819 195 K CB 2.142 34.547 32.500 -0.160 0.000 1.109 195 K HN 0.436 nan 8.250 nan 0.000 0.429 196 L N 4.205 125.289 121.223 -0.231 0.000 2.307 196 L HA 0.400 4.740 4.340 0.000 0.000 0.284 196 L C -0.809 175.927 176.870 -0.223 0.000 1.023 196 L CA -0.382 54.333 54.840 -0.209 0.000 0.810 196 L CB 1.176 43.121 42.059 -0.189 0.000 1.231 196 L HN 0.463 nan 8.230 nan 0.000 0.423 197 K N 4.541 124.786 120.400 -0.258 0.000 2.322 197 K HA 0.481 4.801 4.320 0.000 0.000 0.283 197 K C -0.261 176.232 176.600 -0.178 0.000 1.042 197 K CA -0.057 56.074 56.287 -0.261 0.000 0.958 197 K CB 1.254 33.553 32.500 -0.335 0.000 0.984 197 K HN 0.586 nan 8.250 nan 0.000 0.473 198 V N -2.073 117.724 119.914 -0.195 0.000 3.105 198 V HA 0.862 4.982 4.120 0.000 0.000 0.311 198 V C 0.697 176.618 176.094 -0.288 0.000 1.282 198 V CA -0.211 61.997 62.300 -0.152 0.000 1.065 198 V CB 1.200 32.988 31.823 -0.057 0.000 1.136 198 V HN 0.812 nan 8.190 nan 0.000 0.469 199 G N 0.335 108.978 108.800 -0.261 0.000 2.134 199 G HA2 -0.168 3.792 3.960 0.000 0.000 0.209 199 G HA3 -0.168 3.792 3.960 0.000 0.000 0.209 199 G C 0.068 174.901 174.900 -0.112 0.000 0.993 199 G CA 0.406 45.203 45.100 -0.505 0.000 0.669 199 G HN 1.477 nan 8.290 nan 0.000 0.519 200 Q N -0.243 119.571 119.800 0.024 0.000 2.312 200 Q HA 0.633 4.973 4.340 0.000 0.000 0.236 200 Q C -1.407 174.661 176.000 0.113 0.000 0.965 200 Q CA -1.123 54.712 55.803 0.053 0.000 0.894 200 Q CB 1.197 29.964 28.738 0.048 0.000 1.225 200 Q HN 0.100 nan 8.270 nan 0.000 0.478 201 P HA -0.209 nan 4.420 nan 0.000 0.216 201 P C 0.034 177.390 177.300 0.094 0.000 1.157 201 P CA 1.454 64.610 63.100 0.094 0.000 0.880 201 P CB 0.034 31.773 31.700 0.064 0.000 0.791 202 N N -0.260 118.487 118.700 0.078 0.000 2.466 202 N HA -0.024 4.716 4.740 0.000 0.000 0.263 202 N C 0.749 176.310 175.510 0.085 0.000 1.178 202 N CA 0.056 53.146 53.050 0.067 0.000 0.983 202 N CB -0.540 37.977 38.487 0.050 0.000 1.331 202 N HN 0.018 nan 8.380 nan 0.000 0.500 203 C N 2.241 121.596 119.300 0.091 0.000 2.413 203 C HA -0.140 4.320 4.460 0.000 0.000 0.276 203 C C 2.577 177.610 174.990 0.072 0.000 1.248 203 C CA 1.158 60.237 59.018 0.101 0.000 1.742 203 C CB -1.253 26.513 27.740 0.043 0.000 2.017 203 C HN 0.836 nan 8.230 nan 0.000 0.481 204 A N 0.358 123.206 122.820 0.047 0.000 1.940 204 A HA -0.228 4.092 4.320 0.000 0.000 0.219 204 A C 2.027 179.635 177.584 0.040 0.000 1.176 204 A CA 2.218 54.278 52.037 0.039 0.000 0.631 204 A CB -0.548 18.469 19.000 0.028 0.000 0.814 204 A HN 0.571 nan 8.150 nan 0.000 0.446 205 E N 0.543 120.768 120.200 0.041 0.000 2.106 205 E HA -0.161 4.189 4.350 0.000 0.000 0.192 205 E C 1.380 177.996 176.600 0.027 0.000 0.984 205 E CA 1.530 57.949 56.400 0.031 0.000 0.806 205 E CB -0.291 29.428 29.700 0.032 0.000 0.750 205 E HN 0.534 nan 8.360 nan 0.000 0.458 206 D N -0.133 120.296 120.400 0.048 0.000 2.117 206 D HA -0.131 4.509 4.640 0.000 0.000 0.197 206 D C 1.837 178.144 176.300 0.010 0.000 0.987 206 D CA 0.763 54.787 54.000 0.041 0.000 0.829 206 D CB -0.096 40.773 40.800 0.115 0.000 0.961 206 D HN 0.227 nan 8.370 nan 0.000 0.460 207 I N 0.908 121.502 120.570 0.039 0.000 2.286 207 I HA -0.193 3.977 4.170 0.000 0.000 0.248 207 I C 2.446 178.569 176.117 0.010 0.000 1.115 207 I CA 0.836 62.161 61.300 0.042 0.000 1.392 207 I CB -0.816 37.239 38.000 0.091 0.000 1.065 207 I HN 0.061 nan 8.210 nan 0.000 0.418 208 R N 1.255 121.763 120.500 0.013 0.000 2.070 208 R HA -0.164 4.176 4.340 0.000 0.000 0.233 208 R C 2.467 178.748 176.300 -0.032 0.000 1.137 208 R CA 1.484 57.587 56.100 0.006 0.000 0.945 208 R CB -0.095 30.211 30.300 0.011 0.000 0.845 208 R HN 0.249 nan 8.270 nan 0.000 0.430 209 R N 0.277 120.750 120.500 -0.046 0.000 2.081 209 R HA -0.149 4.191 4.340 0.000 0.000 0.235 209 R C 2.367 178.586 176.300 -0.135 0.000 1.131 209 R CA 1.418 57.475 56.100 -0.072 0.000 0.960 209 R CB -0.512 29.750 30.300 -0.062 0.000 0.856 209 R HN 0.193 nan 8.270 nan 0.000 0.436 210 L N 0.982 122.084 121.223 -0.201 0.000 2.046 210 L HA -0.169 4.171 4.340 0.000 0.000 0.208 210 L C 2.350 178.918 176.870 -0.504 0.000 1.077 210 L CA 2.393 56.997 54.840 -0.394 0.000 0.747 210 L CB -0.934 40.804 42.059 -0.536 0.000 0.896 210 L HN 0.344 nan 8.230 nan 0.000 0.432 211 T N -2.959 111.386 114.554 -0.348 0.000 2.788 211 T HA -0.129 4.221 4.350 0.000 0.000 0.268 211 T C 1.909 176.587 174.700 -0.037 0.000 1.044 211 T CA 1.139 63.188 62.100 -0.085 0.000 1.139 211 T CB -0.916 68.041 68.868 0.149 0.000 0.867 211 T HN 0.367 nan 8.240 nan 0.000 0.454 212 A N 1.129 123.914 122.820 -0.059 0.000 1.902 212 A HA 0.089 4.409 4.320 0.000 0.000 0.217 212 A C 2.654 180.205 177.584 -0.055 0.000 1.181 212 A CA 1.604 53.617 52.037 -0.039 0.000 0.623 212 A CB -1.070 17.908 19.000 -0.038 0.000 0.818 212 A HN 0.426 nan 8.150 nan 0.000 0.443 213 V N 0.237 120.093 119.914 -0.097 0.000 2.358 213 V HA -0.224 3.896 4.120 0.000 0.000 0.246 213 V C 2.681 178.732 176.094 -0.072 0.000 1.047 213 V CA 2.310 64.553 62.300 -0.094 0.000 1.035 213 V CB -0.831 30.916 31.823 -0.127 0.000 0.658 213 V HN 0.664 nan 8.190 nan 0.000 0.452 214 R N 0.689 121.139 120.500 -0.084 0.000 2.096 214 R HA -0.151 4.189 4.340 0.000 0.000 0.235 214 R C 2.197 178.519 176.300 0.036 0.000 1.127 214 R CA 1.679 57.779 56.100 -0.000 0.000 0.968 214 R CB -0.746 29.603 30.300 0.082 0.000 0.861 214 R HN 0.461 nan 8.270 nan 0.000 0.440 215 E N 0.297 120.515 120.200 0.030 0.000 2.058 215 E HA -0.133 4.217 4.350 0.000 0.000 0.194 215 E C 1.721 178.323 176.600 0.004 0.000 0.997 215 E CA 1.709 58.127 56.400 0.030 0.000 0.801 215 E CB -0.333 29.383 29.700 0.027 0.000 0.746 215 E HN 0.400 nan 8.360 nan 0.000 0.450 216 A N 0.785 123.594 122.820 -0.018 0.000 1.930 216 A HA -0.105 4.215 4.320 0.000 0.000 0.217 216 A C 2.462 180.011 177.584 -0.058 0.000 1.175 216 A CA 1.084 53.097 52.037 -0.039 0.000 0.627 216 A CB -0.581 18.388 19.000 -0.052 0.000 0.815 216 A HN 0.283 nan 8.150 nan 0.000 0.443 217 L N -1.466 119.725 121.223 -0.052 0.000 2.240 217 L HA 0.198 4.538 4.340 0.000 0.000 0.211 217 L C 1.347 178.214 176.870 -0.005 0.000 1.106 217 L CA 0.558 55.355 54.840 -0.071 0.000 0.793 217 L CB -0.730 41.331 42.059 0.004 0.000 0.927 217 L HN 0.664 nan 8.230 nan 0.000 0.446 218 G N -0.107 108.710 108.800 0.027 0.000 2.699 218 G HA2 -0.224 3.736 3.960 0.000 0.000 0.686 218 G HA3 -0.224 3.736 3.960 0.000 0.000 0.686 218 G C -0.336 174.613 174.900 0.082 0.000 1.301 218 G CA -0.210 44.919 45.100 0.048 0.000 0.816 218 G HN 0.136 nan 8.290 nan 0.000 0.595 219 D N 0.263 120.708 120.400 0.074 0.000 2.178 219 D HA -0.001 4.639 4.640 0.000 0.000 0.201 219 D C 2.271 178.623 176.300 0.086 0.000 0.980 219 D CA 1.778 55.824 54.000 0.076 0.000 0.842 219 D CB 0.200 41.033 40.800 0.055 0.000 0.948 219 D HN 0.482 nan 8.370 nan 0.000 0.472 220 E N -0.111 120.152 120.200 0.104 0.000 2.086 220 E HA -0.029 4.321 4.350 0.000 0.000 0.190 220 E C 0.532 177.208 176.600 0.127 0.000 0.975 220 E CA -0.127 56.336 56.400 0.106 0.000 0.813 220 E CB -0.557 29.207 29.700 0.106 0.000 0.768 220 E HN 0.251 nan 8.360 nan 0.000 0.457 221 F N 3.178 123.139 119.950 0.019 0.000 2.604 221 F HA 0.000 4.527 4.527 0.000 0.000 0.393 221 F C -1.831 173.960 175.800 -0.014 0.000 1.043 221 F CA -1.796 56.213 58.000 0.015 0.000 1.227 221 F CB 0.262 39.263 39.000 0.002 0.000 1.016 221 F HN -0.192 nan 8.300 nan 0.000 0.556 222 P HA 0.081 nan 4.420 nan 0.000 0.262 222 P C -1.181 175.910 177.300 -0.349 0.000 1.199 222 P CA 0.203 63.087 63.100 -0.359 0.000 0.763 222 P CB 0.579 32.083 31.700 -0.328 0.000 0.790 223 L N 5.545 126.567 121.223 -0.335 0.000 2.408 223 L HA 0.662 5.002 4.340 0.000 0.000 0.268 223 L C -0.876 175.671 176.870 -0.537 0.000 0.986 223 L CA -0.574 54.064 54.840 -0.337 0.000 0.820 223 L CB 1.529 43.492 42.059 -0.160 0.000 1.303 223 L HN 0.256 nan 8.230 nan 0.000 0.411 224 M N 4.931 124.129 119.600 -0.670 0.000 2.631 224 M HA 0.811 5.291 4.480 0.000 0.000 0.288 224 M C -0.984 175.006 176.300 -0.516 0.000 1.260 224 M CA -0.892 53.908 55.300 -0.833 0.000 0.842 224 M CB 1.438 32.988 32.600 -1.750 0.000 1.743 224 M HN 0.415 nan 8.290 nan 0.000 0.461 225 V N -1.565 118.139 119.914 -0.350 0.000 3.001 225 V HA 0.872 4.992 4.120 0.000 0.000 0.314 225 V C -1.595 174.442 176.094 -0.095 0.000 1.099 225 V CA -0.437 61.750 62.300 -0.189 0.000 0.989 225 V CB 2.246 34.013 31.823 -0.094 0.000 1.040 225 V HN 0.959 nan 8.190 nan 0.000 0.434 226 D N 1.590 121.913 120.400 -0.128 0.000 2.686 226 D HA 0.697 5.337 4.640 0.000 0.000 0.249 226 D C 0.314 176.469 176.300 -0.242 0.000 1.260 226 D CA 0.158 54.091 54.000 -0.112 0.000 0.910 226 D CB 2.121 42.877 40.800 -0.073 0.000 1.323 226 D HN 0.900 nan 8.370 nan 0.000 0.561 227 A N 3.575 126.185 122.820 -0.351 0.000 2.238 227 A HA 0.105 4.425 4.320 0.000 0.000 0.210 227 A C 0.895 178.252 177.584 -0.378 0.000 1.179 227 A CA -0.042 51.629 52.037 -0.611 0.000 0.827 227 A CB -0.249 18.019 19.000 -1.220 0.000 0.856 227 A HN 0.720 nan 8.150 nan 0.000 0.488 228 N N 0.246 118.823 118.700 -0.205 0.000 2.716 228 N HA -0.252 4.488 4.740 0.000 0.000 0.250 228 N C -0.255 175.193 175.510 -0.104 0.000 1.033 228 N CA 1.275 54.258 53.050 -0.110 0.000 0.727 228 N CB -1.298 37.152 38.487 -0.061 0.000 0.950 228 N HN 0.795 nan 8.380 nan 0.000 0.541 229 Q N -3.084 116.650 119.800 -0.109 0.000 2.416 229 Q HA -0.269 4.071 4.340 0.000 0.000 0.235 229 Q C 0.220 176.178 176.000 -0.071 0.000 0.773 229 Q CA 1.181 56.952 55.803 -0.054 0.000 1.286 229 Q CB -0.935 27.802 28.738 -0.002 0.000 1.556 229 Q HN 0.428 nan 8.270 nan 0.000 0.650 230 Q N -0.850 118.841 119.800 -0.181 0.000 2.444 230 Q HA 0.028 4.368 4.340 0.000 0.000 0.206 230 Q C 0.022 176.009 176.000 -0.022 0.000 0.948 230 Q CA 0.720 56.442 55.803 -0.136 0.000 0.946 230 Q CB 0.252 28.882 28.738 -0.179 0.000 1.027 230 Q HN 0.314 nan 8.270 nan 0.000 0.513 231 W N 1.862 123.157 121.300 -0.008 0.000 2.578 231 W HA 0.247 4.907 4.660 0.000 0.000 0.353 231 W C 0.175 176.678 176.519 -0.026 0.000 1.088 231 W CA -1.608 55.727 57.345 -0.017 0.000 1.235 231 W CB 0.754 30.199 29.460 -0.025 0.000 1.362 231 W HN -0.011 nan 8.180 nan 0.000 0.592 232 D N -0.379 120.151 120.400 0.216 0.000 2.437 232 D HA 0.305 4.945 4.640 0.000 0.000 0.259 232 D C 1.087 177.423 176.300 0.060 0.000 1.118 232 D CA -0.549 53.510 54.000 0.099 0.000 1.017 232 D CB 0.925 41.761 40.800 0.060 0.000 1.120 232 D HN 0.226 nan 8.370 nan 0.000 0.541 233 R N -0.297 120.213 120.500 0.017 0.000 2.103 233 R HA -0.177 4.163 4.340 0.000 0.000 0.242 233 R C 1.641 177.916 176.300 -0.042 0.000 1.142 233 R CA 1.600 57.691 56.100 -0.014 0.000 0.960 233 R CB -0.311 29.978 30.300 -0.018 0.000 0.858 233 R HN 0.504 nan 8.270 nan 0.000 0.439 234 E N -0.173 120.003 120.200 -0.040 0.000 2.058 234 E HA -0.141 4.209 4.350 0.000 0.000 0.194 234 E C 2.072 178.601 176.600 -0.119 0.000 0.997 234 E CA 1.948 58.310 56.400 -0.064 0.000 0.801 234 E CB -0.433 29.240 29.700 -0.045 0.000 0.746 234 E HN 0.264 nan 8.360 nan 0.000 0.450 235 T N 0.492 114.961 114.554 -0.142 0.000 2.821 235 T HA -0.079 4.271 4.350 0.000 0.000 0.267 235 T C 1.917 176.299 174.700 -0.529 0.000 1.046 235 T CA 1.139 63.056 62.100 -0.305 0.000 1.139 235 T CB -0.384 68.318 68.868 -0.277 0.000 0.871 235 T HN 0.280 nan 8.240 nan 0.000 0.454 236 A N 1.568 124.184 122.820 -0.339 0.000 1.865 236 A HA -0.098 4.222 4.320 0.000 0.000 0.217 236 A C 2.264 179.682 177.584 -0.276 0.000 1.191 236 A CA 1.567 53.427 52.037 -0.294 0.000 0.623 236 A CB -0.859 18.155 19.000 0.023 0.000 0.826 236 A HN 0.423 nan 8.150 nan 0.000 0.444 237 I N -0.627 119.840 120.570 -0.171 0.000 2.315 237 I HA -0.159 4.011 4.170 0.000 0.000 0.248 237 I C 2.377 178.399 176.117 -0.158 0.000 1.117 237 I CA 1.467 62.691 61.300 -0.126 0.000 1.404 237 I CB -0.420 37.531 38.000 -0.081 0.000 1.071 237 I HN 0.328 nan 8.210 nan 0.000 0.419 238 R N -0.343 120.035 120.500 -0.204 0.000 2.070 238 R HA -0.158 4.182 4.340 0.000 0.000 0.233 238 R C 2.197 178.359 176.300 -0.230 0.000 1.137 238 R CA 1.751 57.736 56.100 -0.192 0.000 0.945 238 R CB -0.222 29.960 30.300 -0.197 0.000 0.845 238 R HN 0.267 nan 8.270 nan 0.000 0.430 239 M N -0.421 118.939 119.600 -0.401 0.000 2.159 239 M HA -0.072 4.408 4.480 0.000 0.000 0.263 239 M C 2.307 178.477 176.300 -0.216 0.000 1.063 239 M CA 1.565 56.619 55.300 -0.410 0.000 1.110 239 M CB -1.321 30.703 32.600 -0.961 0.000 1.374 239 M HN 0.325 nan 8.290 nan 0.000 0.411 240 G N 0.577 109.256 108.800 -0.202 0.000 2.459 240 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 240 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 240 G C 1.699 176.578 174.900 -0.034 0.000 1.183 240 G CA 0.528 45.592 45.100 -0.060 0.000 0.776 240 G HN 0.296 nan 8.290 nan 0.000 0.552 241 R N 0.571 121.034 120.500 -0.061 0.000 2.096 241 R HA -0.088 4.252 4.340 0.000 0.000 0.240 241 R C 2.419 178.689 176.300 -0.050 0.000 1.139 241 R CA 1.546 57.616 56.100 -0.051 0.000 0.952 241 R CB -0.843 29.421 30.300 -0.060 0.000 0.854 241 R HN 0.435 nan 8.270 nan 0.000 0.436 242 K N 0.223 120.594 120.400 -0.049 0.000 2.283 242 K HA 0.004 4.324 4.320 0.000 0.000 0.202 242 K C 1.804 178.408 176.600 0.007 0.000 1.048 242 K CA 0.947 57.214 56.287 -0.032 0.000 0.948 242 K CB 0.124 32.616 32.500 -0.013 0.000 0.742 242 K HN 0.113 nan 8.250 nan 0.000 0.458 243 M N 0.154 119.800 119.600 0.076 0.000 2.441 243 M HA 0.024 4.504 4.480 0.000 0.000 0.244 243 M C 1.011 177.371 176.300 0.099 0.000 1.122 243 M CA 0.207 55.654 55.300 0.245 0.000 1.041 243 M CB 0.477 33.250 32.600 0.288 0.000 1.438 243 M HN 0.024 nan 8.290 nan 0.000 0.484 244 E N 1.615 121.809 120.200 -0.010 0.000 2.130 244 E HA -0.254 4.096 4.350 0.000 0.000 0.196 244 E C 1.900 178.444 176.600 -0.093 0.000 0.998 244 E CA 1.585 57.969 56.400 -0.028 0.000 0.806 244 E CB -0.366 29.311 29.700 -0.040 0.000 0.738 244 E HN 0.730 nan 8.360 nan 0.000 0.459 245 Q N -0.350 119.301 119.800 -0.247 0.000 2.291 245 Q HA -0.124 4.216 4.340 0.000 0.000 0.206 245 Q C 1.517 177.293 176.000 -0.373 0.000 0.976 245 Q CA 1.204 56.787 55.803 -0.366 0.000 0.875 245 Q CB -0.420 27.988 28.738 -0.551 0.000 0.927 245 Q HN 0.212 nan 8.270 nan 0.000 0.450 246 F N 1.282 121.223 119.950 -0.016 0.000 2.811 246 F HA 0.191 4.718 4.527 0.000 0.000 0.301 246 F C -0.117 175.665 175.800 -0.031 0.000 1.151 246 F CA -0.044 57.942 58.000 -0.024 0.000 1.412 246 F CB -0.518 38.464 39.000 -0.031 0.000 1.113 246 F HN 0.085 nan 8.300 nan 0.000 0.579 247 N N 0.941 119.696 118.700 0.091 0.000 2.705 247 N HA -0.214 4.526 4.740 0.000 0.000 0.255 247 N C -0.726 174.801 175.510 0.029 0.000 1.008 247 N CA -0.047 53.034 53.050 0.051 0.000 0.742 247 N CB -1.485 37.024 38.487 0.037 0.000 0.906 247 N HN 0.237 nan 8.380 nan 0.000 0.541 248 L N 0.287 121.525 121.223 0.025 0.000 2.467 248 L HA 0.096 4.436 4.340 0.000 0.000 0.270 248 L C 1.880 178.670 176.870 -0.133 0.000 1.205 248 L CA -0.640 54.147 54.840 -0.089 0.000 0.828 248 L CB 0.295 42.305 42.059 -0.081 0.000 1.101 248 L HN 0.208 nan 8.230 nan 0.000 0.479 249 I N 0.497 120.864 120.570 -0.337 0.000 2.394 249 I HA -0.097 4.073 4.170 0.000 0.000 0.251 249 I C 0.251 176.265 176.117 -0.172 0.000 1.136 249 I CA 1.202 62.302 61.300 -0.334 0.000 1.425 249 I CB -0.845 36.680 38.000 -0.793 0.000 1.079 249 I HN 0.813 nan 8.210 nan 0.000 0.425 250 W N -0.344 120.758 121.300 -0.330 0.000 3.064 250 W HA 0.549 5.209 4.660 0.000 0.000 0.328 250 W C -2.135 174.265 176.519 -0.199 0.000 1.210 250 W CA -1.683 55.499 57.345 -0.271 0.000 1.178 250 W CB -0.234 28.909 29.460 -0.529 0.000 1.416 250 W HN -0.261 nan 8.180 nan 0.000 0.568 251 I N 2.455 123.220 120.570 0.325 0.000 2.382 251 I HA 0.275 4.445 4.170 0.000 0.000 0.286 251 I C -0.177 176.098 176.117 0.265 0.000 1.002 251 I CA -0.824 60.627 61.300 0.251 0.000 1.135 251 I CB 1.703 39.835 38.000 0.221 0.000 1.288 251 I HN 0.553 nan 8.210 nan 0.000 0.448 252 E N 6.221 126.566 120.200 0.241 0.000 2.204 252 E HA 0.207 4.557 4.350 0.000 0.000 0.276 252 E C -0.421 176.199 176.600 0.034 0.000 0.974 252 E CA -0.413 56.040 56.400 0.087 0.000 0.815 252 E CB 0.874 30.650 29.700 0.126 0.000 1.119 252 E HN 0.499 nan 8.360 nan 0.000 0.393 253 E N 2.640 122.868 120.200 0.047 0.000 2.149 253 E HA -0.183 4.167 4.350 0.000 0.000 0.191 253 E C -1.820 174.799 176.600 0.030 0.000 1.384 253 E CA 0.099 56.550 56.400 0.085 0.000 0.698 253 E CB -0.436 29.254 29.700 -0.016 0.000 1.086 253 E HN 0.521 nan 8.360 nan 0.000 0.338 254 P HA -0.106 nan 4.420 nan 0.000 0.221 254 P C 0.610 177.945 177.300 0.059 0.000 1.150 254 P CA 1.234 64.403 63.100 0.114 0.000 0.800 254 P CB 0.386 32.235 31.700 0.248 0.000 0.787 255 L N -1.552 119.613 121.223 -0.097 0.000 2.230 255 L HA 0.442 4.782 4.340 0.000 0.000 0.255 255 L C 0.148 177.053 176.870 0.057 0.000 1.039 255 L CA -1.369 53.423 54.840 -0.080 0.000 0.846 255 L CB 0.497 42.398 42.059 -0.264 0.000 1.419 255 L HN -0.309 nan 8.230 nan 0.000 0.435 256 D N 0.238 120.680 120.400 0.070 0.000 2.571 256 D HA 0.062 4.702 4.640 0.000 0.000 0.231 256 D C 0.968 177.366 176.300 0.163 0.000 1.133 256 D CA 0.778 54.844 54.000 0.111 0.000 0.862 256 D CB 1.368 42.236 40.800 0.114 0.000 1.179 256 D HN 0.618 nan 8.370 nan 0.000 0.474 257 A N 3.485 126.341 122.820 0.061 0.000 2.084 257 A HA -0.199 4.121 4.320 0.000 0.000 0.221 257 A C 1.266 178.618 177.584 -0.385 0.000 1.161 257 A CA 1.242 53.170 52.037 -0.182 0.000 0.653 257 A CB -0.594 18.212 19.000 -0.323 0.000 0.802 257 A HN 0.766 nan 8.150 nan 0.000 0.457 258 Y N -1.137 119.158 120.300 -0.008 0.000 2.485 258 Y HA 0.169 4.719 4.550 0.000 0.000 0.260 258 Y C 0.511 176.423 175.900 0.020 0.000 1.173 258 Y CA -0.541 57.543 58.100 -0.027 0.000 1.252 258 Y CB 0.416 38.854 38.460 -0.037 0.000 1.123 258 Y HN 0.202 nan 8.280 nan 0.000 0.524 259 D N 1.238 121.746 120.400 0.181 0.000 2.551 259 D HA 0.100 4.741 4.640 0.000 0.000 0.223 259 D C 1.146 177.565 176.300 0.198 0.000 1.144 259 D CA 0.269 54.363 54.000 0.158 0.000 1.025 259 D CB -0.301 40.562 40.800 0.105 0.000 1.085 259 D HN 0.314 nan 8.370 nan 0.000 0.506 260 I N 1.267 121.900 120.570 0.105 0.000 2.099 260 I HA -0.272 3.898 4.170 0.000 0.000 0.239 260 I C 2.075 178.237 176.117 0.075 0.000 1.066 260 I CA 1.056 62.392 61.300 0.060 0.000 1.324 260 I CB -0.090 37.912 38.000 0.004 0.000 1.037 260 I HN 0.327 nan 8.210 nan 0.000 0.401 261 E N 0.897 121.128 120.200 0.052 0.000 2.153 261 E HA -0.145 4.205 4.350 0.000 0.000 0.194 261 E C 2.304 178.926 176.600 0.037 0.000 0.988 261 E CA 1.101 57.524 56.400 0.037 0.000 0.811 261 E CB -0.322 29.392 29.700 0.024 0.000 0.746 261 E HN 0.635 nan 8.360 nan 0.000 0.466 262 G N 1.183 110.004 108.800 0.035 0.000 2.421 262 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 262 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 262 G C 1.347 176.225 174.900 -0.036 0.000 1.171 262 G CA 0.726 45.817 45.100 -0.015 0.000 0.775 262 G HN 0.273 nan 8.290 nan 0.000 0.543 263 H N 0.776 119.846 119.070 0.001 0.000 2.293 263 H HA -0.030 4.527 4.556 0.000 0.000 0.300 263 H C 3.053 178.380 175.328 -0.001 0.000 1.082 263 H CA 1.342 57.389 56.048 -0.002 0.000 1.308 263 H CB -0.405 29.338 29.762 -0.032 0.000 1.375 263 H HN 0.369 nan 8.280 nan 0.000 0.495 264 A N 1.147 124.040 122.820 0.122 0.000 1.892 264 A HA -0.292 4.028 4.320 0.000 0.000 0.218 264 A C 2.412 180.022 177.584 0.043 0.000 1.188 264 A CA 2.216 54.291 52.037 0.062 0.000 0.631 264 A CB -0.844 18.178 19.000 0.038 0.000 0.822 264 A HN 0.551 nan 8.150 nan 0.000 0.447 265 Q N -0.489 119.330 119.800 0.031 0.000 2.084 265 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 265 Q C 2.014 178.022 176.000 0.014 0.000 0.978 265 Q CA 1.666 57.478 55.803 0.015 0.000 0.844 265 Q CB -0.251 28.489 28.738 0.004 0.000 0.898 265 Q HN 0.679 nan 8.270 nan 0.000 0.426 266 L N 0.224 121.456 121.223 0.014 0.000 2.056 266 L HA -0.141 4.199 4.340 0.000 0.000 0.207 266 L C 2.636 179.531 176.870 0.042 0.000 1.078 266 L CA 0.940 55.791 54.840 0.019 0.000 0.749 266 L CB -0.615 41.452 42.059 0.013 0.000 0.901 266 L HN 0.336 nan 8.230 nan 0.000 0.433 267 A N 0.048 122.903 122.820 0.059 0.000 1.908 267 A HA -0.199 4.121 4.320 0.000 0.000 0.218 267 A C 2.477 180.089 177.584 0.046 0.000 1.181 267 A CA 1.875 53.951 52.037 0.065 0.000 0.627 267 A CB -0.701 18.340 19.000 0.067 0.000 0.818 267 A HN 0.412 nan 8.150 nan 0.000 0.445 268 A N -0.668 122.172 122.820 0.034 0.000 1.968 268 A HA 0.310 4.630 4.320 0.000 0.000 0.217 268 A C 2.358 179.954 177.584 0.019 0.000 1.169 268 A CA 1.688 53.739 52.037 0.024 0.000 0.638 268 A CB -0.665 18.347 19.000 0.019 0.000 0.812 268 A HN 0.977 nan 8.150 nan 0.000 0.446 269 A N -0.879 121.951 122.820 0.017 0.000 2.021 269 A HA 0.426 4.746 4.320 0.000 0.000 0.216 269 A C 0.911 178.502 177.584 0.012 0.000 1.163 269 A CA 0.334 52.376 52.037 0.009 0.000 0.676 269 A CB -0.182 18.818 19.000 0.000 0.000 0.818 269 A HN 0.406 nan 8.150 nan 0.000 0.453 270 L N -0.775 120.462 121.223 0.024 0.000 2.334 270 L HA 0.370 4.710 4.340 0.000 0.000 0.272 270 L C 0.238 177.132 176.870 0.041 0.000 1.020 270 L CA -0.853 54.005 54.840 0.030 0.000 0.812 270 L CB 1.296 43.379 42.059 0.040 0.000 1.264 270 L HN 0.026 nan 8.230 nan 0.000 0.439 271 D N -0.175 120.248 120.400 0.038 0.000 2.194 271 D HA -0.031 4.609 4.640 0.000 0.000 0.204 271 D C 0.488 176.831 176.300 0.072 0.000 0.964 271 D CA 0.818 54.846 54.000 0.046 0.000 0.846 271 D CB 0.203 41.023 40.800 0.034 0.000 0.962 271 D HN 0.490 nan 8.370 nan 0.000 0.490 272 T N 3.080 117.679 114.554 0.075 0.000 2.908 272 T HA 0.118 4.468 4.350 0.000 0.000 0.301 272 T C -2.334 172.452 174.700 0.144 0.000 1.019 272 T CA -0.827 61.335 62.100 0.103 0.000 1.152 272 T CB 1.116 70.040 68.868 0.094 0.000 0.966 272 T HN -0.057 nan 8.240 nan 0.000 0.540 273 P HA 0.220 nan 4.420 nan 0.000 0.269 273 P C -0.525 176.934 177.300 0.265 0.000 1.215 273 P CA -0.394 62.880 63.100 0.289 0.000 0.780 273 P CB 0.448 32.469 31.700 0.535 0.000 0.898 274 I N 1.386 122.092 120.570 0.227 0.000 2.441 274 I HA 0.607 4.777 4.170 0.000 0.000 0.295 274 I C 0.143 176.319 176.117 0.099 0.000 0.994 274 I CA -0.933 60.467 61.300 0.167 0.000 1.144 274 I CB 1.155 39.247 38.000 0.154 0.000 1.314 274 I HN 0.329 nan 8.210 nan 0.000 0.445 275 A N 4.090 126.881 122.820 -0.049 0.000 2.386 275 A HA 0.892 5.212 4.320 0.000 0.000 0.311 275 A C -0.383 177.069 177.584 -0.220 0.000 1.068 275 A CA -0.499 51.375 52.037 -0.272 0.000 0.743 275 A CB 2.149 20.580 19.000 -0.949 0.000 1.258 275 A HN 0.714 nan 8.150 nan 0.000 0.429 276 T N -0.754 113.647 114.554 -0.255 0.000 2.700 276 T HA 0.587 4.937 4.350 0.000 0.000 0.307 276 T C 0.431 174.964 174.700 -0.277 0.000 1.580 276 T CA 0.743 62.673 62.100 -0.283 0.000 0.992 276 T CB 0.864 69.441 68.868 -0.485 0.000 1.577 276 T HN 2.490 nan 8.240 nan 0.000 0.496 277 G N 1.258 109.874 108.800 -0.306 0.000 2.336 277 G HA2 -0.182 3.778 3.960 0.000 0.000 0.194 277 G HA3 -0.182 3.778 3.960 0.000 0.000 0.194 277 G C 0.810 175.603 174.900 -0.178 0.000 0.999 277 G CA 1.251 46.171 45.100 -0.299 0.000 0.669 277 G HN 1.046 nan 8.290 nan 0.000 0.482 278 E N 0.319 120.421 120.200 -0.164 0.000 2.171 278 E HA -0.146 4.204 4.350 0.000 0.000 0.197 278 E C 2.163 178.645 176.600 -0.196 0.000 0.997 278 E CA 1.765 58.044 56.400 -0.203 0.000 0.810 278 E CB -0.252 29.139 29.700 -0.515 0.000 0.738 278 E HN 0.437 nan 8.360 nan 0.000 0.467 279 M N 0.859 120.330 119.600 -0.215 0.000 2.492 279 M HA 0.174 4.654 4.480 0.000 0.000 0.262 279 M C 0.819 177.039 176.300 -0.133 0.000 1.090 279 M CA 0.421 55.631 55.300 -0.150 0.000 1.110 279 M CB -0.590 31.930 32.600 -0.133 0.000 1.407 279 M HN 0.116 nan 8.290 nan 0.000 0.470 280 L N 1.248 122.324 121.223 -0.246 0.000 2.461 280 L HA 0.039 4.379 4.340 0.000 0.000 0.272 280 L C 1.160 178.019 176.870 -0.018 0.000 1.197 280 L CA 0.135 54.822 54.840 -0.255 0.000 0.836 280 L CB 0.056 41.703 42.059 -0.687 0.000 1.105 280 L HN 0.271 nan 8.230 nan 0.000 0.477 281 T N -2.193 112.382 114.554 0.036 0.000 3.355 281 T HA 0.401 4.752 4.350 0.000 0.000 0.276 281 T C -0.059 174.707 174.700 0.111 0.000 1.003 281 T CA -0.060 62.091 62.100 0.085 0.000 0.943 281 T CB -0.090 68.817 68.868 0.065 0.000 1.158 281 T HN 0.742 nan 8.240 nan 0.000 0.513 282 S N -0.497 115.289 115.700 0.142 0.000 2.686 282 S HA 0.385 4.855 4.470 0.000 0.000 0.273 282 S C -0.010 174.706 174.600 0.193 0.000 1.060 282 S CA -0.845 57.451 58.200 0.160 0.000 0.845 282 S CB 0.012 63.284 63.200 0.120 0.000 1.086 282 S HN 0.097 nan 8.310 nan 0.000 0.461 283 F N 2.297 122.275 119.950 0.047 0.000 2.102 283 F HA 0.058 4.585 4.527 0.000 0.000 0.298 283 F C 2.509 178.325 175.800 0.026 0.000 1.105 283 F CA 1.762 59.771 58.000 0.015 0.000 1.239 283 F CB -0.218 38.763 39.000 -0.031 0.000 0.991 283 F HN 0.611 nan 8.300 nan 0.000 0.474 284 R N 0.923 121.468 120.500 0.075 0.000 2.112 284 R HA -0.230 4.110 4.340 0.000 0.000 0.242 284 R C 2.074 178.288 176.300 -0.144 0.000 1.137 284 R CA 2.230 58.307 56.100 -0.038 0.000 0.944 284 R CB -1.242 29.098 30.300 0.066 0.000 0.857 284 R HN 0.507 nan 8.270 nan 0.000 0.435 285 E N -0.591 119.559 120.200 -0.083 0.000 2.077 285 E HA -0.194 4.156 4.350 0.000 0.000 0.193 285 E C 2.019 178.453 176.600 -0.277 0.000 0.989 285 E CA 1.310 57.633 56.400 -0.127 0.000 0.800 285 E CB -0.245 29.402 29.700 -0.088 0.000 0.746 285 E HN 0.534 nan 8.360 nan 0.000 0.452 286 H N 0.176 119.066 119.070 -0.300 0.000 2.423 286 H HA -0.072 4.484 4.556 0.000 0.000 0.297 286 H C 2.062 177.127 175.328 -0.438 0.000 1.075 286 H CA 1.496 57.326 56.048 -0.364 0.000 1.342 286 H CB 0.140 29.680 29.762 -0.370 0.000 1.395 286 H HN 0.184 nan 8.280 nan 0.000 0.530 287 E N 0.242 120.160 120.200 -0.472 0.000 2.077 287 E HA -0.223 4.127 4.350 0.000 0.000 0.193 287 E C 1.756 178.179 176.600 -0.295 0.000 0.989 287 E CA 0.897 56.996 56.400 -0.502 0.000 0.800 287 E CB 0.213 29.519 29.700 -0.656 0.000 0.746 287 E HN 0.406 nan 8.360 nan 0.000 0.452 288 Q N 0.122 119.785 119.800 -0.228 0.000 2.084 288 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 288 Q C 2.340 178.241 176.000 -0.165 0.000 0.978 288 Q CA 0.940 56.652 55.803 -0.151 0.000 0.844 288 Q CB -0.235 28.444 28.738 -0.098 0.000 0.898 288 Q HN 0.311 nan 8.270 nan 0.000 0.426 289 L N -0.015 121.076 121.223 -0.220 0.000 2.109 289 L HA -0.100 4.240 4.340 0.000 0.000 0.207 289 L C 2.255 178.999 176.870 -0.210 0.000 1.086 289 L CA 1.061 55.767 54.840 -0.224 0.000 0.760 289 L CB -0.380 41.492 42.059 -0.312 0.000 0.910 289 L HN 0.146 nan 8.230 nan 0.000 0.437 290 I N -1.190 119.226 120.570 -0.258 0.000 2.252 290 I HA -0.289 3.881 4.170 0.000 0.000 0.245 290 I C 2.185 178.105 176.117 -0.329 0.000 1.102 290 I CA 1.127 62.234 61.300 -0.322 0.000 1.385 290 I CB -0.243 37.492 38.000 -0.441 0.000 1.064 290 I HN 0.180 nan 8.210 nan 0.000 0.414 291 L N 0.389 121.452 121.223 -0.267 0.000 2.191 291 L HA -0.112 4.228 4.340 0.000 0.000 0.212 291 L C 2.248 179.084 176.870 -0.057 0.000 1.103 291 L CA 1.211 55.975 54.840 -0.126 0.000 0.769 291 L CB -0.795 41.219 42.059 -0.074 0.000 0.908 291 L HN 0.324 nan 8.230 nan 0.000 0.438 292 G N -1.095 107.657 108.800 -0.079 0.000 3.141 292 G HA2 -0.038 3.922 3.960 0.000 0.000 0.218 292 G HA3 -0.038 3.922 3.960 0.000 0.000 0.218 292 G C 0.445 175.327 174.900 -0.030 0.000 1.170 292 G CA -0.165 44.910 45.100 -0.042 0.000 0.769 292 G HN 0.564 nan 8.290 nan 0.000 0.546 293 N N -1.005 117.670 118.700 -0.041 0.000 2.727 293 N HA -0.260 4.480 4.740 0.000 0.000 0.249 293 N C 1.487 176.986 175.510 -0.017 0.000 1.048 293 N CA 0.145 53.184 53.050 -0.019 0.000 0.714 293 N CB -0.695 37.800 38.487 0.014 0.000 0.959 293 N HN 0.412 nan 8.380 nan 0.000 0.544 294 A N -0.312 122.477 122.820 -0.051 0.000 1.930 294 A HA 0.075 4.395 4.320 0.000 0.000 0.217 294 A C 1.159 178.736 177.584 -0.012 0.000 1.175 294 A CA 1.764 53.782 52.037 -0.031 0.000 0.627 294 A CB 0.114 19.031 19.000 -0.138 0.000 0.815 294 A HN 0.653 nan 8.150 nan 0.000 0.443 295 S N -2.581 113.088 115.700 -0.051 0.000 2.570 295 S HA 0.425 4.895 4.470 0.000 0.000 0.270 295 S C -0.482 174.106 174.600 -0.020 0.000 1.149 295 S CA -0.343 57.845 58.200 -0.020 0.000 0.837 295 S CB 1.100 64.259 63.200 -0.069 0.000 1.124 295 S HN 0.163 nan 8.310 nan 0.000 0.465 296 D N -0.054 120.363 120.400 0.027 0.000 2.194 296 D HA 0.143 4.783 4.640 0.000 0.000 0.204 296 D C -0.445 175.754 176.300 -0.168 0.000 0.964 296 D CA 1.290 55.273 54.000 -0.027 0.000 0.846 296 D CB 0.018 40.860 40.800 0.070 0.000 0.962 296 D HN 0.426 nan 8.370 nan 0.000 0.490 297 F N 0.837 120.702 119.950 -0.141 0.000 2.444 297 F HA 0.281 4.808 4.527 0.000 0.000 0.342 297 F C 0.086 175.721 175.800 -0.275 0.000 1.121 297 F CA -0.884 56.975 58.000 -0.235 0.000 0.997 297 F CB 1.970 40.699 39.000 -0.452 0.000 1.130 297 F HN -0.408 nan 8.300 nan 0.000 0.454 298 V N 3.769 123.619 119.914 -0.107 0.000 2.394 298 V HA 0.317 4.438 4.120 0.000 0.000 0.282 298 V C -0.431 175.557 176.094 -0.177 0.000 1.031 298 V CA -0.668 61.541 62.300 -0.153 0.000 0.881 298 V CB 1.447 33.159 31.823 -0.186 0.000 0.982 298 V HN 0.679 nan 8.190 nan 0.000 0.451 299 Q N 5.878 125.594 119.800 -0.141 0.000 2.788 299 Q HA 0.330 4.670 4.340 0.000 0.000 0.261 299 Q C -2.623 173.362 176.000 -0.026 0.000 1.029 299 Q CA -1.679 54.059 55.803 -0.108 0.000 0.848 299 Q CB 1.609 30.275 28.738 -0.121 0.000 1.185 299 Q HN 0.523 nan 8.270 nan 0.000 0.482 300 P HA 0.110 nan 4.420 nan 0.000 0.276 300 P C -0.779 176.593 177.300 0.121 0.000 1.261 300 P CA -0.332 62.609 63.100 -0.265 0.000 0.800 300 P CB 0.869 31.967 31.700 -1.004 0.000 1.066 301 D N -0.156 120.431 120.400 0.312 0.000 2.476 301 D HA 0.302 4.942 4.640 0.000 0.000 0.251 301 D C 0.770 177.424 176.300 0.589 0.000 1.291 301 D CA -0.591 53.728 54.000 0.532 0.000 0.939 301 D CB 1.617 42.732 40.800 0.525 0.000 1.221 301 D HN 0.238 nan 8.370 nan 0.000 0.567 302 A N 5.329 128.607 122.820 0.762 0.000 1.884 302 A HA -0.100 4.220 4.320 0.000 0.000 0.219 302 A C -0.752 176.974 177.584 0.237 0.000 1.197 302 A CA 1.499 53.784 52.037 0.413 0.000 0.637 302 A CB -1.234 17.750 19.000 -0.026 0.000 0.827 302 A HN 0.489 nan 8.150 nan 0.000 0.450 303 P HA -0.153 nan 4.420 nan 0.000 0.215 303 P C 1.597 178.962 177.300 0.108 0.000 1.157 303 P CA 1.258 64.430 63.100 0.120 0.000 0.868 303 P CB -0.131 31.696 31.700 0.211 0.000 0.788 304 R N -0.332 120.261 120.500 0.155 0.000 2.092 304 R HA -0.051 4.289 4.340 0.000 0.000 0.231 304 R C 1.868 178.247 176.300 0.132 0.000 1.119 304 R CA 1.695 57.853 56.100 0.097 0.000 0.970 304 R CB -1.145 29.234 30.300 0.132 0.000 0.864 304 R HN 0.237 nan 8.270 nan 0.000 0.440 305 V N -3.266 116.765 119.914 0.194 0.000 3.623 305 V HA 0.377 4.497 4.120 0.000 0.000 0.271 305 V C 1.014 177.229 176.094 0.200 0.000 1.248 305 V CA 0.831 63.247 62.300 0.193 0.000 1.156 305 V CB 0.260 32.200 31.823 0.195 0.000 0.870 305 V HN 0.428 nan 8.190 nan 0.000 0.453 306 G N -1.742 107.181 108.800 0.205 0.000 2.154 306 G HA2 0.351 4.311 3.960 0.000 0.000 0.186 306 G HA3 0.351 4.311 3.960 0.000 0.000 0.186 306 G C 0.902 176.000 174.900 0.330 0.000 1.000 306 G CA -0.064 45.203 45.100 0.277 0.000 0.664 306 G HN 2.240 nan 8.290 nan 0.000 0.513 307 G N -1.172 107.770 108.800 0.237 0.000 2.422 307 G HA2 0.115 4.075 3.960 0.000 0.000 0.607 307 G HA3 0.115 4.075 3.960 0.000 0.000 0.607 307 G C 0.745 175.741 174.900 0.160 0.000 1.270 307 G CA -0.068 45.153 45.100 0.201 0.000 0.992 307 G HN 0.868 nan 8.290 nan 0.000 0.499 308 I N 0.738 121.341 120.570 0.054 0.000 2.252 308 I HA -0.143 4.027 4.170 0.000 0.000 0.245 308 I C 2.966 179.036 176.117 -0.078 0.000 1.102 308 I CA 2.009 63.212 61.300 -0.163 0.000 1.385 308 I CB -0.441 37.203 38.000 -0.595 0.000 1.064 308 I HN 0.530 nan 8.210 nan 0.000 0.414 309 S N 1.311 117.091 115.700 0.133 0.000 2.359 309 S HA -0.132 4.338 4.470 0.000 0.000 0.222 309 S C -0.303 174.313 174.600 0.027 0.000 1.038 309 S CA 1.925 60.228 58.200 0.172 0.000 1.051 309 S CB -1.554 61.775 63.200 0.214 0.000 0.944 309 S HN 0.390 nan 8.310 nan 0.000 0.433 310 P HA -0.063 nan 4.420 nan 0.000 0.219 310 P C 1.350 178.708 177.300 0.098 0.000 1.150 310 P CA 0.910 64.012 63.100 0.004 0.000 0.814 310 P CB -0.165 31.557 31.700 0.036 0.000 0.787 311 F N 0.906 120.845 119.950 -0.018 0.000 2.161 311 F HA -0.170 4.357 4.527 0.000 0.000 0.300 311 F C 2.253 178.026 175.800 -0.045 0.000 1.089 311 F CA 1.238 59.215 58.000 -0.039 0.000 1.282 311 F CB -0.625 38.354 39.000 -0.035 0.000 1.010 311 F HN -0.285 nan 8.300 nan 0.000 0.485 312 L N -0.031 121.310 121.223 0.198 0.000 2.046 312 L HA -0.244 4.096 4.340 0.000 0.000 0.208 312 L C 2.370 179.274 176.870 0.057 0.000 1.077 312 L CA 1.548 56.452 54.840 0.108 0.000 0.747 312 L CB -0.659 41.398 42.059 -0.002 0.000 0.896 312 L HN 0.063 nan 8.230 nan 0.000 0.432 313 K N 0.179 120.592 120.400 0.021 0.000 2.097 313 K HA -0.117 4.203 4.320 0.000 0.000 0.206 313 K C 2.042 178.757 176.600 0.193 0.000 1.049 313 K CA 1.205 57.496 56.287 0.006 0.000 0.933 313 K CB -0.118 32.219 32.500 -0.271 0.000 0.717 313 K HN 0.254 nan 8.250 nan 0.000 0.442 314 I N 0.716 121.369 120.570 0.138 0.000 2.252 314 I HA -0.287 3.883 4.170 0.000 0.000 0.245 314 I C 2.406 178.457 176.117 -0.110 0.000 1.102 314 I CA 1.196 62.474 61.300 -0.037 0.000 1.385 314 I CB -0.202 37.548 38.000 -0.416 0.000 1.064 314 I HN 0.191 nan 8.210 nan 0.000 0.414 315 M N 0.375 119.907 119.600 -0.113 0.000 2.080 315 M HA -0.252 4.228 4.480 0.000 0.000 0.260 315 M C 1.829 178.247 176.300 0.197 0.000 1.068 315 M CA 1.873 57.218 55.300 0.075 0.000 1.109 315 M CB -0.485 32.241 32.600 0.211 0.000 1.342 315 M HN 0.186 nan 8.290 nan 0.000 0.405 316 D N 0.335 120.809 120.400 0.124 0.000 2.117 316 D HA -0.141 4.499 4.640 0.000 0.000 0.197 316 D C 1.793 178.163 176.300 0.117 0.000 0.987 316 D CA 1.049 55.107 54.000 0.097 0.000 0.829 316 D CB -0.408 40.435 40.800 0.072 0.000 0.961 316 D HN 0.197 nan 8.370 nan 0.000 0.460 317 L N 0.987 122.296 121.223 0.143 0.000 2.017 317 L HA -0.074 4.266 4.340 0.000 0.000 0.208 317 L C 2.147 179.100 176.870 0.140 0.000 1.073 317 L CA 1.845 56.777 54.840 0.153 0.000 0.745 317 L CB -0.935 41.186 42.059 0.103 0.000 0.894 317 L HN -0.008 nan 8.230 nan 0.000 0.432 318 A N -0.381 122.479 122.820 0.067 0.000 1.892 318 A HA -0.201 4.119 4.320 0.000 0.000 0.218 318 A C 2.467 180.153 177.584 0.170 0.000 1.188 318 A CA 2.306 54.386 52.037 0.071 0.000 0.631 318 A CB -1.355 17.655 19.000 0.017 0.000 0.822 318 A HN 0.606 nan 8.150 nan 0.000 0.447 319 A N -0.435 122.499 122.820 0.191 0.000 1.883 319 A HA -0.213 4.107 4.320 0.000 0.000 0.217 319 A C 2.147 179.741 177.584 0.017 0.000 1.186 319 A CA 2.141 54.197 52.037 0.032 0.000 0.624 319 A CB -0.523 18.372 19.000 -0.175 0.000 0.822 319 A HN 0.568 nan 8.150 nan 0.000 0.444 320 K N -1.256 119.181 120.400 0.061 0.000 2.152 320 K HA -0.211 4.109 4.320 0.000 0.000 0.206 320 K C 1.036 177.613 176.600 -0.039 0.000 1.048 320 K CA 1.679 57.977 56.287 0.019 0.000 0.933 320 K CB -0.200 32.337 32.500 0.061 0.000 0.721 320 K HN 0.651 nan 8.250 nan 0.000 0.447 321 H N -1.193 117.866 119.070 -0.018 0.000 2.538 321 H HA 0.206 4.762 4.556 0.000 0.000 0.286 321 H C 0.650 175.959 175.328 -0.032 0.000 1.035 321 H CA 0.556 56.589 56.048 -0.025 0.000 1.169 321 H CB 0.592 30.337 29.762 -0.029 0.000 1.417 321 H HN 0.465 nan 8.280 nan 0.000 0.567 322 G N 1.241 110.066 108.800 0.040 0.000 2.225 322 G HA2 -0.333 3.627 3.960 0.000 0.000 0.267 322 G HA3 -0.333 3.627 3.960 0.000 0.000 0.267 322 G C 0.122 175.019 174.900 -0.005 0.000 1.024 322 G CA -0.089 45.011 45.100 -0.001 0.000 0.784 322 G HN 0.188 nan 8.290 nan 0.000 0.507 323 R N -0.284 120.231 120.500 0.025 0.000 2.500 323 R HA 0.538 4.878 4.340 0.000 0.000 0.277 323 R C 0.605 176.881 176.300 -0.040 0.000 1.026 323 R CA -0.703 55.367 56.100 -0.051 0.000 1.058 323 R CB 0.664 30.930 30.300 -0.057 0.000 1.078 323 R HN 0.115 nan 8.270 nan 0.000 0.509 324 K N 1.122 121.354 120.400 -0.279 0.000 2.107 324 K HA 0.337 4.658 4.320 0.000 0.000 0.251 324 K C -0.085 176.371 176.600 -0.240 0.000 1.012 324 K CA -0.886 55.233 56.287 -0.280 0.000 0.920 324 K CB 0.752 32.732 32.500 -0.867 0.000 1.033 324 K HN 0.284 nan 8.250 nan 0.000 0.478 325 L N 0.420 121.504 121.223 -0.232 0.000 2.341 325 L HA 0.505 4.845 4.340 0.000 0.000 0.278 325 L C -1.100 175.786 176.870 0.027 0.000 1.005 325 L CA -0.075 54.547 54.840 -0.362 0.000 0.818 325 L CB 1.723 43.161 42.059 -1.035 0.000 1.259 325 L HN 0.703 nan 8.230 nan 0.000 0.418 326 A N 5.732 128.567 122.820 0.025 0.000 2.984 326 A HA 0.658 4.978 4.320 0.000 0.000 0.320 326 A C -2.724 174.889 177.584 0.049 0.000 1.142 326 A CA -1.137 50.976 52.037 0.127 0.000 0.772 326 A CB -0.017 18.912 19.000 -0.118 0.000 1.195 326 A HN 0.509 nan 8.150 nan 0.000 0.459 327 P HA 0.002 nan 4.420 nan 0.000 0.268 327 P C -0.339 176.981 177.300 0.033 0.000 1.208 327 P CA 0.400 63.446 63.100 -0.091 0.000 0.777 327 P CB 0.295 31.805 31.700 -0.316 0.000 0.875 328 H N 4.495 123.543 119.070 -0.037 0.000 2.467 328 H HA 0.271 4.827 4.556 0.000 0.000 0.326 328 H C 0.429 175.996 175.328 0.398 0.000 1.094 328 H CA -0.440 55.726 56.048 0.197 0.000 1.253 328 H CB 0.109 29.984 29.762 0.187 0.000 1.439 328 H HN 0.330 nan 8.280 nan 0.000 0.479 329 F N 2.819 122.488 119.950 -0.467 0.000 2.181 329 F HA -0.388 4.139 4.527 0.000 0.000 0.317 329 F C 0.874 176.651 175.800 -0.037 0.000 0.129 329 F CA 2.105 59.806 58.000 -0.499 0.000 0.911 329 F CB -1.223 37.197 39.000 -0.966 0.000 4.128 329 F HN 0.925 nan 8.300 nan 0.000 0.142 330 A N 0.851 123.222 122.820 -0.748 0.000 2.253 330 A HA -0.237 4.083 4.320 0.000 0.000 0.278 330 A C 1.439 178.828 177.584 -0.326 0.000 1.381 330 A CA 1.874 53.588 52.037 -0.539 0.000 0.771 330 A CB -1.875 16.910 19.000 -0.358 0.000 1.092 330 A HN 1.501 nan 8.150 nan 0.000 0.360 331 M N -1.800 117.663 119.600 -0.228 0.000 2.267 331 M HA -0.177 4.303 4.480 0.000 0.000 0.263 331 M C 1.260 177.520 176.300 -0.068 0.000 1.063 331 M CA 2.347 57.607 55.300 -0.066 0.000 1.090 331 M CB -0.580 32.001 32.600 -0.032 0.000 1.392 331 M HN 0.383 nan 8.290 nan 0.000 0.422 332 E N 1.157 121.276 120.200 -0.134 0.000 2.209 332 E HA -0.096 4.254 4.350 0.000 0.000 0.196 332 E C 2.005 178.637 176.600 0.054 0.000 0.993 332 E CA 1.405 57.747 56.400 -0.096 0.000 0.819 332 E CB -0.296 29.044 29.700 -0.600 0.000 0.745 332 E HN 0.514 nan 8.360 nan 0.000 0.477 333 V N -0.340 119.486 119.914 -0.147 0.000 2.690 333 V HA -0.064 4.056 4.120 0.000 0.000 0.240 333 V C 1.630 177.612 176.094 -0.186 0.000 1.078 333 V CA 0.716 62.899 62.300 -0.195 0.000 1.102 333 V CB -0.334 31.188 31.823 -0.501 0.000 0.800 333 V HN 0.274 nan 8.190 nan 0.000 0.479 334 H N 0.204 119.195 119.070 -0.132 0.000 2.489 334 H HA -0.068 4.488 4.556 0.000 0.000 0.293 334 H C 2.093 177.369 175.328 -0.087 0.000 1.066 334 H CA 1.394 57.350 56.048 -0.153 0.000 1.305 334 H CB -0.186 29.532 29.762 -0.075 0.000 1.386 334 H HN 0.308 nan 8.280 nan 0.000 0.551 335 L N 0.786 122.011 121.223 0.002 0.000 2.012 335 L HA -0.196 4.144 4.340 0.000 0.000 0.210 335 L C 2.269 179.050 176.870 -0.149 0.000 1.073 335 L CA 1.828 56.610 54.840 -0.097 0.000 0.748 335 L CB -0.611 41.329 42.059 -0.199 0.000 0.891 335 L HN 0.250 nan 8.230 nan 0.000 0.431 336 H N -0.546 118.518 119.070 -0.009 0.000 2.357 336 H HA -0.056 4.500 4.556 0.000 0.000 0.301 336 H C 2.333 177.640 175.328 -0.035 0.000 1.082 336 H CA 1.975 58.007 56.048 -0.028 0.000 1.342 336 H CB -0.204 29.526 29.762 -0.053 0.000 1.389 336 H HN 0.379 nan 8.280 nan 0.000 0.511 337 L N 0.772 122.018 121.223 0.038 0.000 2.027 337 L HA -0.149 4.191 4.340 0.000 0.000 0.206 337 L C 2.794 179.743 176.870 0.132 0.000 1.074 337 L CA 1.465 56.307 54.840 0.003 0.000 0.745 337 L CB -0.505 41.389 42.059 -0.275 0.000 0.898 337 L HN 0.275 nan 8.230 nan 0.000 0.433 338 S N 0.174 115.944 115.700 0.117 0.000 2.402 338 S HA -0.107 4.363 4.470 0.000 0.000 0.229 338 S C 2.139 176.825 174.600 0.143 0.000 1.021 338 S CA 0.725 59.012 58.200 0.145 0.000 0.974 338 S CB -0.429 62.836 63.200 0.108 0.000 0.800 338 S HN 0.335 nan 8.310 nan 0.000 0.484 339 A N 1.640 124.511 122.820 0.085 0.000 2.019 339 A HA 0.381 4.701 4.320 0.000 0.000 0.219 339 A C 2.319 179.984 177.584 0.135 0.000 1.164 339 A CA 1.416 53.494 52.037 0.067 0.000 0.644 339 A CB -1.068 17.943 19.000 0.018 0.000 0.805 339 A HN 0.871 nan 8.150 nan 0.000 0.449 340 A N -2.325 120.594 122.820 0.165 0.000 2.218 340 A HA 0.284 4.604 4.320 0.000 0.000 0.209 340 A C 0.665 178.440 177.584 0.318 0.000 1.168 340 A CA -0.160 52.000 52.037 0.205 0.000 0.804 340 A CB -0.362 18.718 19.000 0.132 0.000 0.834 340 A HN 0.456 nan 8.150 nan 0.000 0.482 341 Y N 1.580 121.959 120.300 0.132 0.000 2.377 341 Y HA 0.230 4.780 4.550 0.000 0.000 0.330 341 Y C -1.189 174.655 175.900 -0.093 0.000 1.108 341 Y CA -1.994 56.139 58.100 0.054 0.000 1.308 341 Y CB 0.986 39.472 38.460 0.044 0.000 1.216 341 Y HN 0.104 nan 8.280 nan 0.000 0.518 342 P HA -0.159 nan 4.420 nan 0.000 0.217 342 P C -0.216 176.749 177.300 -0.557 0.000 1.150 342 P CA 1.428 63.969 63.100 -0.932 0.000 0.832 342 P CB 0.514 31.765 31.700 -0.750 0.000 0.787 343 L N -0.252 120.714 121.223 -0.429 0.000 2.379 343 L HA 0.334 4.674 4.340 0.000 0.000 0.269 343 L C 0.782 177.715 176.870 0.105 0.000 1.084 343 L CA -1.148 53.638 54.840 -0.091 0.000 0.802 343 L CB 0.329 42.390 42.059 0.003 0.000 1.175 343 L HN -0.192 nan 8.230 nan 0.000 0.448 344 E N 4.045 124.274 120.200 0.048 0.000 2.498 344 E HA 0.064 4.414 4.350 0.000 0.000 0.252 344 E C -2.270 174.393 176.600 0.105 0.000 1.025 344 E CA -0.815 55.606 56.400 0.034 0.000 0.938 344 E CB 0.337 30.026 29.700 -0.019 0.000 0.947 344 E HN 0.179 nan 8.360 nan 0.000 0.478 345 P HA 0.394 nan 4.420 nan 0.000 0.307 345 P C -1.108 176.243 177.300 0.085 0.000 1.307 345 P CA -0.783 62.417 63.100 0.166 0.000 0.814 345 P CB 0.786 32.568 31.700 0.136 0.000 1.311 346 W N -0.709 120.745 121.300 0.256 0.000 2.844 346 W HA 0.565 5.225 4.660 0.000 0.000 0.340 346 W C -0.861 175.822 176.519 0.274 0.000 1.093 346 W CA -0.523 57.010 57.345 0.315 0.000 1.212 346 W CB 1.872 31.644 29.460 0.520 0.000 1.422 346 W HN 0.126 nan 8.180 nan 0.000 0.515 347 L N 2.305 123.824 121.223 0.493 0.000 2.346 347 L HA 0.475 4.815 4.340 0.000 0.000 0.276 347 L C -0.329 176.620 176.870 0.131 0.000 1.006 347 L CA -0.654 54.349 54.840 0.272 0.000 0.817 347 L CB 1.652 43.794 42.059 0.137 0.000 1.272 347 L HN 0.458 nan 8.230 nan 0.000 0.421 348 E N 3.785 123.985 120.200 -0.001 0.000 2.174 348 E HA 0.181 4.531 4.350 0.000 0.000 0.282 348 E C -1.296 175.218 176.600 -0.143 0.000 0.992 348 E CA -0.536 55.634 56.400 -0.384 0.000 0.803 348 E CB 0.574 30.239 29.700 -0.059 0.000 1.090 348 E HN 0.669 nan 8.360 nan 0.000 0.396 349 H N 5.142 124.006 119.070 -0.343 0.000 2.457 349 H HA 0.364 4.920 4.556 0.000 0.000 0.335 349 H C -1.625 173.579 175.328 -0.206 0.000 1.115 349 H CA -0.370 55.584 56.048 -0.156 0.000 1.219 349 H CB 0.469 30.152 29.762 -0.131 0.000 1.471 349 H HN 0.470 nan 8.280 nan 0.000 0.491 350 F N 2.337 121.681 119.950 -1.010 0.000 2.601 350 F HA 0.121 4.648 4.527 0.000 0.000 0.309 350 F C 1.106 176.382 175.800 -0.873 0.000 1.089 350 F CA -0.719 56.767 58.000 -0.858 0.000 0.940 350 F CB 2.035 40.605 39.000 -0.717 0.000 1.273 350 F HN 0.604 nan 8.300 nan 0.000 0.450 351 E N 0.879 120.939 120.200 -0.234 0.000 2.452 351 E HA -0.046 4.304 4.350 0.000 0.000 0.197 351 E C 1.034 177.784 176.600 0.249 0.000 1.022 351 E CA 0.323 56.754 56.400 0.052 0.000 0.890 351 E CB -0.102 29.734 29.700 0.226 0.000 0.918 351 E HN 0.662 nan 8.360 nan 0.000 0.496 352 W N 2.061 123.414 121.300 0.088 0.000 2.290 352 W HA -0.148 4.512 4.660 0.000 0.000 0.318 352 W C 2.092 178.601 176.519 -0.018 0.000 1.248 352 W CA 0.876 58.256 57.345 0.059 0.000 1.263 352 W CB -1.015 28.515 29.460 0.116 0.000 1.147 352 W HN 0.089 nan 8.180 nan 0.000 0.494 353 L N 0.410 121.717 121.223 0.141 0.000 2.591 353 L HA -0.005 4.335 4.340 0.000 0.000 0.228 353 L C 1.824 178.684 176.870 -0.016 0.000 1.133 353 L CA 0.109 54.930 54.840 -0.031 0.000 0.880 353 L CB -0.815 41.151 42.059 -0.155 0.000 1.033 353 L HN -0.054 nan 8.230 nan 0.000 0.450 354 N N 1.305 120.057 118.700 0.087 0.000 2.094 354 N HA -0.159 4.581 4.740 0.000 0.000 0.191 354 N C -0.723 174.837 175.510 0.084 0.000 1.023 354 N CA 1.519 54.649 53.050 0.133 0.000 0.857 354 N CB -1.423 37.159 38.487 0.157 0.000 1.013 354 N HN 0.260 nan 8.380 nan 0.000 0.426 355 P HA -0.016 nan 4.420 nan 0.000 0.225 355 P C 1.308 178.527 177.300 -0.136 0.000 1.148 355 P CA 0.669 63.782 63.100 0.021 0.000 0.779 355 P CB -0.003 31.804 31.700 0.178 0.000 0.780 356 L N -3.034 117.996 121.223 -0.322 0.000 2.291 356 L HA 0.011 4.351 4.340 0.000 0.000 0.214 356 L C 0.511 176.893 176.870 -0.813 0.000 1.120 356 L CA 0.636 55.062 54.840 -0.691 0.000 0.799 356 L CB -0.358 40.970 42.059 -1.218 0.000 0.925 356 L HN -0.069 nan 8.230 nan 0.000 0.446 357 F N -1.704 118.234 119.950 -0.021 0.000 2.579 357 F HA 0.293 4.820 4.527 0.000 0.000 0.324 357 F C 1.092 176.952 175.800 0.100 0.000 1.058 357 F CA -1.038 56.999 58.000 0.061 0.000 0.944 357 F CB 0.806 39.869 39.000 0.105 0.000 1.245 357 F HN -0.268 nan 8.300 nan 0.000 0.477 358 N N -0.359 118.534 118.700 0.322 0.000 2.354 358 N HA -0.034 4.706 4.740 0.000 0.000 0.179 358 N C -0.607 175.031 175.510 0.213 0.000 1.021 358 N CA 0.551 53.720 53.050 0.198 0.000 0.887 358 N CB 0.112 38.685 38.487 0.143 0.000 0.974 358 N HN 0.546 nan 8.380 nan 0.000 0.437 359 E N 0.556 120.941 120.200 0.309 0.000 2.214 359 E HA 0.290 4.640 4.350 0.000 0.000 0.274 359 E C -0.602 176.213 176.600 0.358 0.000 0.977 359 E CA -0.484 56.057 56.400 0.236 0.000 0.827 359 E CB 1.067 30.816 29.700 0.082 0.000 1.130 359 E HN -0.043 nan 8.360 nan 0.000 0.394 360 Q N 1.200 121.144 119.800 0.241 0.000 2.345 360 Q HA 0.452 4.792 4.340 0.000 0.000 0.268 360 Q C -0.482 175.646 176.000 0.212 0.000 1.054 360 Q CA -0.672 55.294 55.803 0.272 0.000 0.835 360 Q CB 1.911 30.764 28.738 0.193 0.000 1.339 360 Q HN 0.514 nan 8.270 nan 0.000 0.447 361 L N 1.084 122.461 121.223 0.257 0.000 2.417 361 L HA 0.212 4.552 4.340 0.000 0.000 0.268 361 L C 0.809 177.774 176.870 0.160 0.000 1.158 361 L CA -0.207 54.747 54.840 0.190 0.000 0.819 361 L CB 0.478 42.673 42.059 0.227 0.000 1.112 361 L HN 0.594 nan 8.230 nan 0.000 0.458 362 E N 3.293 123.583 120.200 0.149 0.000 2.152 362 E HA 0.241 4.591 4.350 0.000 0.000 0.285 362 E C -1.273 175.462 176.600 0.225 0.000 1.043 362 E CA -0.808 55.681 56.400 0.149 0.000 0.839 362 E CB 1.198 30.959 29.700 0.100 0.000 1.069 362 E HN 0.314 nan 8.360 nan 0.000 0.399 363 L N 5.782 127.108 121.223 0.172 0.000 2.272 363 L HA 0.483 4.823 4.340 0.000 0.000 0.289 363 L C -0.962 176.014 176.870 0.176 0.000 1.032 363 L CA -0.152 54.793 54.840 0.175 0.000 0.810 363 L CB 0.955 43.065 42.059 0.084 0.000 1.205 363 L HN 0.652 nan 8.230 nan 0.000 0.422 364 R N 3.627 124.293 120.500 0.276 0.000 2.561 364 R HA 0.283 4.623 4.340 0.000 0.000 0.266 364 R C -0.797 175.682 176.300 0.298 0.000 1.091 364 R CA -0.405 55.831 56.100 0.228 0.000 0.927 364 R CB 1.040 31.407 30.300 0.112 0.000 1.240 364 R HN 0.680 nan 8.270 nan 0.000 0.449 365 D N 2.785 123.299 120.400 0.189 0.000 2.723 365 D HA -0.164 4.476 4.640 0.000 0.000 0.236 365 D C 0.739 177.133 176.300 0.156 0.000 1.138 365 D CA 2.493 56.598 54.000 0.176 0.000 0.676 365 D CB -0.938 39.983 40.800 0.203 0.000 1.069 365 D HN 1.072 nan 8.370 nan 0.000 0.430 366 G N -0.643 108.243 108.800 0.144 0.000 2.184 366 G HA2 -0.361 3.599 3.960 0.000 0.000 0.264 366 G HA3 -0.361 3.599 3.960 0.000 0.000 0.264 366 G C 0.416 175.334 174.900 0.029 0.000 0.975 366 G CA 0.633 45.793 45.100 0.099 0.000 0.642 366 G HN 0.684 nan 8.290 nan 0.000 0.536 367 R N -1.327 119.199 120.500 0.043 0.000 2.807 367 R HA 0.746 5.086 4.340 0.000 0.000 0.276 367 R C -0.729 175.540 176.300 -0.050 0.000 0.979 367 R CA -1.170 54.864 56.100 -0.111 0.000 0.928 367 R CB 1.320 31.411 30.300 -0.348 0.000 1.191 367 R HN 0.126 nan 8.270 nan 0.000 0.471 368 M N 1.701 121.224 119.600 -0.129 0.000 2.180 368 M HA 0.316 4.796 4.480 0.000 0.000 0.350 368 M C -1.688 174.529 176.300 -0.138 0.000 1.125 368 M CA -0.601 54.698 55.300 -0.002 0.000 1.031 368 M CB 0.733 33.346 32.600 0.021 0.000 1.623 368 M HN 0.425 nan 8.290 nan 0.000 0.451 369 W N 5.701 126.996 121.300 -0.009 0.000 2.438 369 W HA 0.534 5.194 4.660 0.000 0.000 0.324 369 W C -0.473 176.021 176.519 -0.041 0.000 1.119 369 W CA -0.421 56.912 57.345 -0.021 0.000 1.221 369 W CB 0.396 29.850 29.460 -0.011 0.000 1.253 369 W HN 0.461 nan 8.180 nan 0.000 0.555 370 I N 3.812 124.458 120.570 0.126 0.000 2.452 370 I HA 0.036 4.206 4.170 0.000 0.000 0.287 370 I C 1.057 177.234 176.117 0.100 0.000 1.079 370 I CA -0.206 61.117 61.300 0.039 0.000 1.387 370 I CB 0.128 38.132 38.000 0.006 0.000 1.404 370 I HN 0.441 nan 8.210 nan 0.000 0.522 371 S N 4.010 119.738 115.700 0.048 0.000 2.634 371 S HA 0.054 4.524 4.470 0.000 0.000 0.261 371 S C 0.871 175.505 174.600 0.056 0.000 1.271 371 S CA -0.475 57.747 58.200 0.038 0.000 0.985 371 S CB 1.017 64.200 63.200 -0.030 0.000 0.968 371 S HN 0.746 nan 8.310 nan 0.000 0.568 372 D N -0.671 119.757 120.400 0.046 0.000 2.340 372 D HA -0.026 4.614 4.640 0.000 0.000 0.220 372 D C 0.330 176.685 176.300 0.092 0.000 1.039 372 D CA -0.081 53.965 54.000 0.076 0.000 0.866 372 D CB -0.317 40.518 40.800 0.059 0.000 0.913 372 D HN 0.434 nan 8.370 nan 0.000 0.523 373 R N 0.497 121.010 120.500 0.022 0.000 2.590 373 R HA 0.174 4.514 4.340 0.000 0.000 0.274 373 R C 0.264 176.633 176.300 0.115 0.000 1.061 373 R CA -0.073 56.011 56.100 -0.028 0.000 1.081 373 R CB 0.391 30.625 30.300 -0.110 0.000 0.984 373 R HN 0.359 nan 8.270 nan 0.000 0.448 374 H N 0.177 119.240 119.070 -0.011 0.000 2.607 374 H HA 0.166 4.722 4.556 0.000 0.000 0.367 374 H C 1.336 176.645 175.328 -0.032 0.000 1.181 374 H CA -0.063 55.982 56.048 -0.006 0.000 1.402 374 H CB 0.862 30.637 29.762 0.022 0.000 1.474 374 H HN 0.844 nan 8.280 nan 0.000 0.596 375 G N 0.693 109.532 108.800 0.066 0.000 2.596 375 G HA2 -0.348 3.612 3.960 0.000 0.000 0.295 375 G HA3 -0.348 3.612 3.960 0.000 0.000 0.295 375 G C 0.943 175.728 174.900 -0.191 0.000 1.240 375 G CA 0.460 45.538 45.100 -0.037 0.000 0.985 375 G HN 0.568 nan 8.290 nan 0.000 0.555 376 L N 1.723 122.881 121.223 -0.107 0.000 2.201 376 L HA 0.257 4.597 4.340 0.000 0.000 0.212 376 L C 2.474 179.360 176.870 0.026 0.000 1.105 376 L CA 1.379 56.197 54.840 -0.036 0.000 0.775 376 L CB -0.697 41.463 42.059 0.169 0.000 0.913 376 L HN 2.127 nan 8.230 nan 0.000 0.440 377 G N -0.526 108.221 108.800 -0.088 0.000 2.149 377 G HA2 -0.275 3.685 3.960 0.000 0.000 0.235 377 G HA3 -0.275 3.685 3.960 0.000 0.000 0.235 377 G C -0.206 174.325 174.900 -0.616 0.000 1.018 377 G CA -0.323 44.598 45.100 -0.298 0.000 0.728 377 G HN 0.176 nan 8.290 nan 0.000 0.508 378 F N 0.029 119.957 119.950 -0.036 0.000 2.588 378 F HA 0.751 5.278 4.527 0.000 0.000 0.310 378 F C 0.448 176.290 175.800 0.070 0.000 1.082 378 F CA -0.167 57.788 58.000 -0.075 0.000 0.929 378 F CB 2.379 41.083 39.000 -0.493 0.000 1.254 378 F HN 0.280 nan 8.300 nan 0.000 0.455 379 T N 0.118 114.897 114.554 0.373 0.000 2.876 379 T HA 0.682 5.032 4.350 0.000 0.000 0.289 379 T C -0.710 174.217 174.700 0.377 0.000 1.014 379 T CA -0.897 61.385 62.100 0.303 0.000 0.986 379 T CB 1.185 70.164 68.868 0.185 0.000 1.021 379 T HN 0.518 nan 8.240 nan 0.000 0.458 380 L N 3.443 124.844 121.223 0.296 0.000 2.499 380 L HA 0.299 4.639 4.340 0.000 0.000 0.273 380 L C 1.373 178.299 176.870 0.093 0.000 1.195 380 L CA -0.414 54.538 54.840 0.187 0.000 0.882 380 L CB 0.458 42.598 42.059 0.136 0.000 1.133 380 L HN 0.997 nan 8.230 nan 0.000 0.483 381 S N 1.173 116.876 115.700 0.005 0.000 2.645 381 S HA 0.110 4.580 4.470 0.000 0.000 0.266 381 S C 0.795 175.347 174.600 -0.079 0.000 1.258 381 S CA -0.585 57.595 58.200 -0.034 0.000 0.990 381 S CB 1.661 64.809 63.200 -0.086 0.000 0.967 381 S HN 0.651 nan 8.310 nan 0.000 0.556 382 E N 0.359 120.503 120.200 -0.092 0.000 2.150 382 E HA -0.148 4.202 4.350 0.000 0.000 0.193 382 E C 1.980 178.459 176.600 -0.203 0.000 0.985 382 E CA 1.467 57.800 56.400 -0.111 0.000 0.814 382 E CB -0.467 29.175 29.700 -0.097 0.000 0.752 382 E HN 0.730 nan 8.360 nan 0.000 0.466 383 Q N 0.058 119.675 119.800 -0.305 0.000 2.124 383 Q HA -0.025 4.315 4.340 0.000 0.000 0.202 383 Q C 1.923 177.588 176.000 -0.558 0.000 0.977 383 Q CA 1.945 57.395 55.803 -0.587 0.000 0.850 383 Q CB -0.661 27.629 28.738 -0.748 0.000 0.901 383 Q HN 0.337 nan 8.270 nan 0.000 0.429 384 A N 0.177 122.823 122.820 -0.290 0.000 1.933 384 A HA -0.172 4.148 4.320 0.000 0.000 0.218 384 A C 1.950 179.506 177.584 -0.047 0.000 1.175 384 A CA 1.365 53.332 52.037 -0.116 0.000 0.628 384 A CB -0.361 18.555 19.000 -0.140 0.000 0.814 384 A HN 0.229 nan 8.150 nan 0.000 0.444 385 R N -0.412 120.043 120.500 -0.076 0.000 2.073 385 R HA 0.007 4.347 4.340 0.000 0.000 0.229 385 R C 2.172 178.454 176.300 -0.030 0.000 1.120 385 R CA 1.274 57.357 56.100 -0.028 0.000 0.967 385 R CB -0.723 29.561 30.300 -0.026 0.000 0.862 385 R HN 0.555 nan 8.270 nan 0.000 0.436 386 R N -0.519 119.911 120.500 -0.115 0.000 2.096 386 R HA -0.109 4.231 4.340 0.000 0.000 0.235 386 R C 1.524 177.844 176.300 0.034 0.000 1.127 386 R CA 1.052 57.085 56.100 -0.112 0.000 0.968 386 R CB -0.033 30.105 30.300 -0.270 0.000 0.861 386 R HN 0.251 nan 8.270 nan 0.000 0.440 387 W N 0.617 121.899 121.300 -0.030 0.000 3.180 387 W HA 0.121 4.781 4.660 0.000 0.000 0.254 387 W C 0.088 176.604 176.519 -0.006 0.000 1.318 387 W CA 0.040 57.375 57.345 -0.017 0.000 1.608 387 W CB -0.476 28.960 29.460 -0.039 0.000 1.124 387 W HN -0.163 nan 8.180 nan 0.000 0.694 388 T N 1.325 115.982 114.554 0.172 0.000 2.870 388 T HA 0.071 4.421 4.350 0.000 0.000 0.300 388 T C 1.181 175.929 174.700 0.079 0.000 0.989 388 T CA 0.365 62.515 62.100 0.084 0.000 1.139 388 T CB 1.645 70.540 68.868 0.044 0.000 0.920 388 T HN 0.120 nan 8.240 nan 0.000 0.537 389 Q N 1.854 121.688 119.800 0.058 0.000 2.423 389 Q HA 0.332 4.672 4.340 0.000 0.000 0.231 389 Q C 0.032 176.020 176.000 -0.020 0.000 0.894 389 Q CA 0.467 56.303 55.803 0.056 0.000 0.938 389 Q CB 0.504 29.329 28.738 0.144 0.000 1.079 389 Q HN 0.531 nan 8.270 nan 0.000 0.552 390 L N -0.453 120.692 121.223 -0.130 0.000 2.371 390 L HA 0.635 4.975 4.340 0.000 0.000 0.262 390 L C -0.546 176.233 176.870 -0.153 0.000 1.006 390 L CA -0.643 54.089 54.840 -0.181 0.000 0.818 390 L CB 2.547 44.369 42.059 -0.396 0.000 1.354 390 L HN -0.197 nan 8.230 nan 0.000 0.415 391 T N 0.408 114.991 114.554 0.049 0.000 2.840 391 T HA 0.687 5.037 4.350 0.000 0.000 0.317 391 T C -1.658 173.142 174.700 0.167 0.000 1.401 391 T CA -0.440 61.749 62.100 0.148 0.000 1.028 391 T CB 1.311 70.228 68.868 0.081 0.000 1.317 391 T HN 0.939 nan 8.240 nan 0.000 0.495 392 C N 1.625 120.993 119.300 0.115 0.000 3.311 392 C HA 0.942 5.402 4.460 0.000 0.000 0.325 392 C C -1.212 173.625 174.990 -0.255 0.000 1.352 392 C CA -0.842 58.122 59.018 -0.089 0.000 1.308 392 C CB 1.087 28.756 27.740 -0.119 0.000 1.619 392 C HN 1.013 nan 8.230 nan 0.000 0.469 393 E N -0.117 119.766 120.200 -0.528 0.000 2.393 393 E HA 0.780 5.130 4.350 0.000 0.000 0.273 393 E C -1.802 174.235 176.600 -0.938 0.000 0.918 393 E CA -0.365 55.701 56.400 -0.558 0.000 0.773 393 E CB 2.471 32.072 29.700 -0.166 0.000 1.275 393 E HN 0.612 nan 8.360 nan 0.000 0.451 394 F N 0.028 119.838 119.950 -0.235 0.000 2.588 394 F HA 0.601 5.128 4.527 0.000 0.000 0.310 394 F C 0.809 176.587 175.800 -0.037 0.000 1.082 394 F CA -0.055 57.877 58.000 -0.114 0.000 0.929 394 F CB 2.153 41.072 39.000 -0.136 0.000 1.254 394 F HN 0.734 nan 8.300 nan 0.000 0.455 395 G N 2.132 111.061 108.800 0.214 0.000 2.553 395 G HA2 -0.147 3.813 3.960 0.000 0.000 0.242 395 G HA3 -0.147 3.813 3.960 0.000 0.000 0.242 395 G C -1.124 173.968 174.900 0.319 0.000 1.277 395 G CA -0.253 44.989 45.100 0.236 0.000 0.910 395 G HN 0.869 nan 8.290 nan 0.000 0.576 396 K N 0.125 120.730 120.400 0.342 0.000 2.535 396 K HA 0.489 4.809 4.320 0.000 0.000 0.251 396 K C 0.216 176.878 176.600 0.103 0.000 0.942 396 K CA -0.823 55.608 56.287 0.240 0.000 0.798 396 K CB 1.229 33.794 32.500 0.108 0.000 1.267 396 K HN 0.687 nan 8.250 nan 0.000 0.434 397 R N 3.541 123.888 120.500 -0.254 0.000 2.504 397 R HA 0.016 4.356 4.340 0.000 0.000 0.291 397 R C -2.007 174.179 176.300 -0.189 0.000 0.974 397 R CA -0.847 54.954 56.100 -0.498 0.000 1.077 397 R CB -0.233 29.637 30.300 -0.716 0.000 0.926 397 R HN 0.431 nan 8.270 nan 0.000 0.407 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.066 63.100 -0.056 0.000 0.800 398 P CB 0.000 31.686 31.700 -0.023 0.000 0.726