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 3ebh_1_A DATA FIRST_RESID 196 DATA SEQUENCE PKIHYRKDYK PSGFIINQVT LNINIHDQET IVRSVLDMDI SKHNVGEDLV DATA SEQUENCE FDGVGLKINE ISINNKKLVE GEEYTYDNEF LTIFSKFVPK SKFAFSSEVI DATA SEQUENCE IHPETNYALT GLYKSKNIIV SQCEATGFRR ITFFIDRPDM MAKYDVTVTA DATA SEQUENCE DKEKYPVLLS NGDKVNEFEI PGGRHGARFN DPPLKPCYLF AVVAGDLKHL DATA SEQUENCE SATYITKYTK KKVELYVFSE EKYVSKLQWA LECLKKSMAF DEDYFGLEYD DATA SEQUENCE LSRLNLVAVS DFNVGAMENK GLNIFNANSL LASKKNSIDF SYARILTVVG DATA SEQUENCE HEYFHQYTGN RVTLRDWFQL TLKEGLTVHR ENLFSEEMTK TVTTRLSHVD DATA SEQUENCE LLRSVQFLED SSPLSHPIRP ESYVSMENFY TTTVYDKGSE VMRMYLTILG DATA SEQUENCE EEYYKKGFDI YIKKNDGNTA TCEDFNYAME QAYKMKKADN SANLNQYLLW DATA SEQUENCE FSQSGTPHVS FKYNYDAEKK QYSIHVNQYT KPDENQKEKK PLFIPISVGL DATA SEQUENCE INPENGKEMI SQTTLELTKE SDTFVFNNIA VKPIPSLFRG FSAPVYIEDQ DATA SEQUENCE LTDEERILLL KYDSDAFVRY NSCTNIYMKQ ILMNYNEFLK AKNEKLESFQ DATA SEQUENCE LTPVNAQFID AIKYLLEDPH ADAGFKSYIV SLPQDRYIIN FVSNLDTDVL DATA SEQUENCE ADTKEYIYKQ IGDKLNDVYY KMFKSLEAKA DDLTYFNDES HVDFDQMNMR DATA SEQUENCE TLRNTLLSLL SKAQYPNILN EIIEHSKSPY PSNWLTSLSV SAYFDKYFEL DATA SEQUENCE YDKTYKLSKD DELLLQEWLK TVSRSDRKDI YEILKKLENE VLKDSKNPND DATA SEQUENCE IRAVYLPFTN NLRRFHDISG KGYKLIAEVI TKTDKFNPMV ATQLCEPFKL DATA SEQUENCE WNKLDTKRQE LMLNEMNTML QEPQISNNLK EYLLRLTNK 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 196 P HA 0.000 nan 4.420 nan 0.000 0.216 196 P C 0.000 177.318 177.300 0.030 0.000 1.155 196 P CA 0.000 63.132 63.100 0.053 0.000 0.800 196 P CB 0.000 31.729 31.700 0.048 0.000 0.726 197 K N 2.849 123.265 120.400 0.026 0.000 2.379 197 K HA 0.422 -4.994 4.320 -16.227 0.000 0.284 197 K C -0.385 176.094 176.600 -0.202 0.000 1.044 197 K CA -0.028 56.205 56.287 -0.089 0.000 0.974 197 K CB 0.100 32.537 32.500 -0.104 0.000 0.962 197 K HN 0.474 nan 8.250 nan 0.000 0.474 198 I N 5.322 125.742 120.570 -0.249 0.000 2.331 198 I HA 0.182 -5.384 4.170 -16.227 0.000 0.292 198 I C -0.245 175.508 176.117 -0.607 0.000 0.998 198 I CA -0.859 60.220 61.300 -0.369 0.000 1.267 198 I CB 0.907 38.699 38.000 -0.348 0.000 1.386 198 I HN 0.627 nan 8.210 nan 0.000 0.476 199 H N 5.434 124.215 119.070 -0.481 0.000 2.517 199 H HA 0.432 -4.748 4.556 -16.227 0.000 0.317 199 H C -1.263 173.873 175.328 -0.320 0.000 1.080 199 H CA -0.169 55.644 56.048 -0.392 0.000 1.301 199 H CB 0.709 30.064 29.762 -0.677 0.000 1.425 199 H HN 0.368 nan 8.280 nan 0.000 0.471 200 Y N 0.991 121.370 120.300 0.132 0.000 2.377 200 Y HA 0.222 -4.966 4.550 -16.229 0.000 0.339 200 Y C 1.673 177.366 175.900 -0.344 0.000 1.011 200 Y CA -0.846 57.230 58.100 -0.039 0.000 1.093 200 Y CB 1.443 39.875 38.460 -0.047 0.000 1.201 200 Y HN 0.602 nan 8.280 nan 0.000 0.455 201 R N 2.264 122.283 120.500 -0.802 0.000 2.091 201 R HA -0.186 -5.582 4.340 -16.227 0.000 0.238 201 R C 1.763 177.890 176.300 -0.287 0.000 1.136 201 R CA 2.212 57.648 56.100 -1.107 0.000 0.959 201 R CB 0.019 29.773 30.300 -0.911 0.000 0.856 201 R HN 0.828 nan 8.270 nan 0.000 0.437 202 K N -0.749 119.577 120.400 -0.123 0.000 2.442 202 K HA -0.094 -5.510 4.320 -16.227 0.000 0.198 202 K C 0.372 176.984 176.600 0.019 0.000 1.044 202 K CA 1.605 57.873 56.287 -0.031 0.000 0.948 202 K CB 0.185 32.663 32.500 -0.036 0.000 0.762 202 K HN 0.108 nan 8.250 nan 0.000 0.472 203 D N 0.324 120.756 120.400 0.054 0.000 2.339 203 D HA -0.036 -5.132 4.640 -16.227 0.000 0.217 203 D C -0.473 175.883 176.300 0.093 0.000 1.050 203 D CA -0.096 53.949 54.000 0.074 0.000 0.856 203 D CB -0.235 40.635 40.800 0.117 0.000 0.922 203 D HN 0.246 nan 8.370 nan 0.000 0.518 204 Y N 2.384 122.704 120.300 0.034 0.000 2.729 204 Y HA -0.029 -5.211 4.550 -16.221 0.000 0.331 204 Y C 0.001 175.902 175.900 0.002 0.000 1.208 204 Y CA 0.350 58.480 58.100 0.050 0.000 1.521 204 Y CB 0.143 38.636 38.460 0.055 0.000 1.233 204 Y HN -0.316 nan 8.280 nan 0.000 0.539 205 K N 7.908 127.814 120.400 -0.823 0.000 2.468 205 K HA 0.380 -5.036 4.320 -16.227 0.000 0.252 205 K C -2.685 173.342 176.600 -0.955 0.000 0.932 205 K CA -2.023 53.829 56.287 -0.724 0.000 0.794 205 K CB 1.886 34.182 32.500 -0.340 0.000 1.241 205 K HN 0.415 nan 8.250 nan 0.000 0.428 206 P HA -0.041 nan 4.420 nan 0.000 0.268 206 P C -0.337 176.769 177.300 -0.322 0.000 1.208 206 P CA -0.175 62.622 63.100 -0.504 0.000 0.777 206 P CB 0.671 31.983 31.700 -0.646 0.000 0.875 207 S N 0.857 116.474 115.700 -0.138 0.000 2.579 207 S HA 0.252 -5.014 4.470 -16.227 0.000 0.275 207 S C 1.645 176.209 174.600 -0.060 0.000 1.345 207 S CA 0.041 58.209 58.200 -0.054 0.000 1.031 207 S CB -0.119 63.105 63.200 0.040 0.000 0.892 207 S HN 0.590 nan 8.310 nan 0.000 0.529 208 G N 2.591 111.286 108.800 -0.175 0.000 2.848 208 G HA2 0.235 -5.541 3.960 -16.227 0.000 0.208 208 G HA3 0.235 -5.541 3.960 -16.227 0.000 0.208 208 G C -0.191 174.261 174.900 -0.748 0.000 1.152 208 G CA 0.091 44.925 45.100 -0.442 0.000 0.789 208 G HN 0.520 nan 8.290 nan 0.000 0.531 209 F N -0.685 119.254 119.950 -0.019 0.000 2.620 209 F HA 0.627 -4.582 4.527 -16.228 0.000 0.320 209 F C -0.244 175.536 175.800 -0.035 0.000 1.069 209 F CA -1.459 56.525 58.000 -0.026 0.000 0.953 209 F CB 1.801 40.756 39.000 -0.075 0.000 1.322 209 F HN -0.257 nan 8.300 nan 0.000 0.479 210 I N 2.895 123.559 120.570 0.156 0.000 2.545 210 I HA 0.420 -5.146 4.170 -16.227 0.000 0.292 210 I C -0.741 175.367 176.117 -0.016 0.000 1.040 210 I CA -0.608 60.724 61.300 0.053 0.000 1.068 210 I CB 1.934 39.953 38.000 0.032 0.000 1.251 210 I HN 0.462 nan 8.210 nan 0.000 0.424 211 I N 5.658 126.200 120.570 -0.046 0.000 2.354 211 I HA 0.318 -5.248 4.170 -16.227 0.000 0.286 211 I C 0.880 176.977 176.117 -0.035 0.000 1.007 211 I CA -0.093 61.155 61.300 -0.086 0.000 1.167 211 I CB 0.988 38.881 38.000 -0.178 0.000 1.320 211 I HN 0.560 nan 8.210 nan 0.000 0.458 212 N N 3.407 122.076 118.700 -0.052 0.000 2.387 212 N HA -0.011 -5.008 4.740 -16.227 0.000 0.176 212 N C 0.257 175.739 175.510 -0.045 0.000 1.022 212 N CA 0.205 53.235 53.050 -0.033 0.000 0.883 212 N CB 0.341 38.806 38.487 -0.036 0.000 1.019 212 N HN 0.488 nan 8.380 nan 0.000 0.435 213 Q N 0.731 120.487 119.800 -0.072 0.000 2.331 213 Q HA 0.439 -4.957 4.340 -16.227 0.000 0.272 213 Q C -1.972 173.946 176.000 -0.135 0.000 1.062 213 Q CA -0.551 55.192 55.803 -0.099 0.000 0.806 213 Q CB 2.087 30.788 28.738 -0.062 0.000 1.312 213 Q HN -0.163 nan 8.270 nan 0.000 0.431 214 V N 3.242 122.997 119.914 -0.266 0.000 2.417 214 V HA 0.624 -4.992 4.120 -16.227 0.000 0.291 214 V C -0.659 175.345 176.094 -0.149 0.000 1.024 214 V CA -0.551 61.587 62.300 -0.270 0.000 0.861 214 V CB 1.866 33.266 31.823 -0.705 0.000 0.985 214 V HN 0.890 nan 8.190 nan 0.000 0.436 215 T N 6.772 121.292 114.554 -0.057 0.000 2.864 215 T HA 0.603 -4.783 4.350 -16.227 0.000 0.310 215 T C -0.444 174.260 174.700 0.006 0.000 1.040 215 T CA -0.242 61.853 62.100 -0.008 0.000 0.977 215 T CB 0.597 69.458 68.868 -0.011 0.000 0.976 215 T HN 0.331 nan 8.240 nan 0.000 0.459 216 L N 3.763 125.013 121.223 0.046 0.000 2.325 216 L HA 0.564 -4.832 4.340 -16.227 0.000 0.278 216 L C 0.162 177.065 176.870 0.055 0.000 1.023 216 L CA -0.871 53.992 54.840 0.039 0.000 0.811 216 L CB 1.379 43.474 42.059 0.060 0.000 1.249 216 L HN 0.516 nan 8.230 nan 0.000 0.431 217 N N 4.346 123.060 118.700 0.024 0.000 2.483 217 N HA 0.457 -4.539 4.740 -16.227 0.000 0.267 217 N C -1.127 174.389 175.510 0.009 0.000 0.998 217 N CA -0.336 52.734 53.050 0.034 0.000 0.918 217 N CB 2.329 40.831 38.487 0.026 0.000 1.215 217 N HN 0.410 nan 8.380 nan 0.000 0.500 218 I N 2.336 122.915 120.570 0.015 0.000 2.330 218 I HA 0.218 -5.348 4.170 -16.227 0.000 0.286 218 I C -0.403 175.682 176.117 -0.053 0.000 1.025 218 I CA -0.527 60.759 61.300 -0.023 0.000 1.197 218 I CB 0.530 38.525 38.000 -0.008 0.000 1.358 218 I HN 0.231 nan 8.210 nan 0.000 0.467 219 N N 7.556 126.225 118.700 -0.050 0.000 2.527 219 N HA 0.456 -4.540 4.740 -16.227 0.000 0.236 219 N C -0.745 174.669 175.510 -0.160 0.000 0.999 219 N CA -0.475 52.522 53.050 -0.089 0.000 0.935 219 N CB 1.225 39.735 38.487 0.039 0.000 1.132 219 N HN 0.457 nan 8.380 nan 0.000 0.511 220 I N 3.016 123.415 120.570 -0.285 0.000 2.337 220 I HA 0.158 -5.408 4.170 -16.227 0.000 0.291 220 I C 0.436 176.332 176.117 -0.368 0.000 1.046 220 I CA -0.237 60.897 61.300 -0.276 0.000 1.324 220 I CB 0.162 37.943 38.000 -0.366 0.000 1.409 220 I HN 0.473 nan 8.210 nan 0.000 0.494 221 H N 4.134 123.189 119.070 -0.026 0.000 2.771 221 H HA 0.257 -4.924 4.556 -16.227 0.000 0.344 221 H C 0.111 175.472 175.328 0.055 0.000 1.260 221 H CA -0.785 55.279 56.048 0.025 0.000 1.276 221 H CB 1.396 31.167 29.762 0.015 0.000 1.881 221 H HN 0.489 nan 8.280 nan 0.000 0.615 222 D N 0.201 120.731 120.400 0.217 0.000 2.104 222 D HA -0.128 -5.224 4.640 -16.227 0.000 0.194 222 D C 1.216 177.596 176.300 0.133 0.000 0.994 222 D CA 1.600 55.693 54.000 0.155 0.000 0.830 222 D CB 0.211 41.086 40.800 0.124 0.000 0.959 222 D HN 0.490 nan 8.370 nan 0.000 0.452 223 Q N -0.332 119.546 119.800 0.131 0.000 2.217 223 Q HA 0.127 -5.269 4.340 -16.227 0.000 0.217 223 Q C -0.195 175.913 176.000 0.179 0.000 0.844 223 Q CA -0.008 55.873 55.803 0.130 0.000 0.957 223 Q CB 1.066 29.866 28.738 0.102 0.000 1.127 223 Q HN 0.432 nan 8.270 nan 0.000 0.503 224 E N -1.274 119.001 120.200 0.124 0.000 2.401 224 E HA 0.393 -4.993 4.350 -16.227 0.000 0.280 224 E C -1.314 175.280 176.600 -0.009 0.000 1.039 224 E CA -0.774 55.632 56.400 0.010 0.000 0.814 224 E CB 1.388 31.068 29.700 -0.034 0.000 1.275 224 E HN -0.257 nan 8.360 nan 0.000 0.448 225 T N 1.696 116.172 114.554 -0.130 0.000 2.812 225 T HA 0.487 -4.899 4.350 -16.227 0.000 0.282 225 T C -0.333 174.305 174.700 -0.102 0.000 0.990 225 T CA -0.525 61.528 62.100 -0.080 0.000 0.960 225 T CB 0.481 69.278 68.868 -0.118 0.000 0.948 225 T HN 0.331 nan 8.240 nan 0.000 0.438 226 I N 3.135 123.695 120.570 -0.017 0.000 2.331 226 I HA 0.426 -5.140 4.170 -16.227 0.000 0.292 226 I C -0.426 175.655 176.117 -0.059 0.000 0.998 226 I CA -0.815 60.461 61.300 -0.039 0.000 1.267 226 I CB 1.428 39.438 38.000 0.016 0.000 1.386 226 I HN 0.231 nan 8.210 nan 0.000 0.476 227 V N 7.255 127.110 119.914 -0.099 0.000 2.350 227 V HA 0.404 -5.213 4.120 -16.227 0.000 0.285 227 V C 0.092 176.123 176.094 -0.104 0.000 1.014 227 V CA -0.676 61.557 62.300 -0.111 0.000 0.831 227 V CB 1.213 32.933 31.823 -0.172 0.000 1.000 227 V HN 0.653 nan 8.190 nan 0.000 0.433 228 R N 2.583 123.039 120.500 -0.074 0.000 2.312 228 R HA 0.700 -4.696 4.340 -16.227 0.000 0.311 228 R C -0.296 175.960 176.300 -0.073 0.000 1.004 228 R CA -0.212 55.843 56.100 -0.075 0.000 0.902 228 R CB 1.813 32.082 30.300 -0.053 0.000 1.073 228 R HN 0.639 nan 8.270 nan 0.000 0.457 229 S N 2.018 117.665 115.700 -0.089 0.000 2.571 229 S HA 0.421 -4.845 4.470 -16.227 0.000 0.284 229 S C -1.126 173.423 174.600 -0.085 0.000 1.128 229 S CA -0.656 57.505 58.200 -0.065 0.000 0.970 229 S CB 1.482 64.657 63.200 -0.040 0.000 1.039 229 S HN 0.252 nan 8.310 nan 0.000 0.485 230 V N 6.173 126.055 119.914 -0.054 0.000 2.409 230 V HA 0.493 -5.123 4.120 -16.227 0.000 0.291 230 V C -0.545 175.541 176.094 -0.013 0.000 1.020 230 V CA -0.619 61.646 62.300 -0.058 0.000 0.848 230 V CB 1.351 33.140 31.823 -0.057 0.000 0.990 230 V HN 0.795 nan 8.190 nan 0.000 0.430 231 L N 4.389 125.629 121.223 0.028 0.000 2.265 231 L HA 0.515 -4.881 4.340 -16.227 0.000 0.289 231 L C -0.345 176.498 176.870 -0.045 0.000 1.033 231 L CA -0.519 54.340 54.840 0.032 0.000 0.814 231 L CB 1.224 43.349 42.059 0.109 0.000 1.203 231 L HN 0.535 nan 8.230 nan 0.000 0.423 232 D N 5.706 126.058 120.400 -0.080 0.000 2.336 232 D HA 0.408 -4.688 4.640 -16.227 0.000 0.249 232 D C -0.081 176.101 176.300 -0.197 0.000 1.213 232 D CA 0.330 54.255 54.000 -0.125 0.000 0.870 232 D CB 1.515 42.268 40.800 -0.078 0.000 1.076 232 D HN 0.389 nan 8.370 nan 0.000 0.483 233 M N 1.211 120.577 119.600 -0.390 0.000 2.761 233 M HA 0.368 -4.888 4.480 -16.227 0.000 0.305 233 M C -0.449 175.591 176.300 -0.433 0.000 1.235 233 M CA -0.846 54.149 55.300 -0.508 0.000 0.850 233 M CB 2.481 34.546 32.600 -0.891 0.000 1.744 233 M HN 0.105 nan 8.290 nan 0.000 0.480 234 D N 0.163 120.457 120.400 -0.176 0.000 2.596 234 D HA 0.498 -4.598 4.640 -16.227 0.000 0.262 234 D C -1.676 174.745 176.300 0.202 0.000 1.210 234 D CA -0.420 53.606 54.000 0.043 0.000 0.873 234 D CB 2.006 42.819 40.800 0.021 0.000 1.408 234 D HN 0.280 nan 8.370 nan 0.000 0.441 235 I N 1.726 122.411 120.570 0.193 0.000 2.331 235 I HA 0.227 -5.339 4.170 -16.227 0.000 0.292 235 I C 1.053 177.165 176.117 -0.008 0.000 0.998 235 I CA -0.473 60.886 61.300 0.097 0.000 1.267 235 I CB 0.559 38.602 38.000 0.071 0.000 1.386 235 I HN 0.370 nan 8.210 nan 0.000 0.476 236 S N 5.834 121.489 115.700 -0.076 0.000 2.669 236 S HA 0.275 -4.991 4.470 -16.227 0.000 0.270 236 S C 1.060 175.574 174.600 -0.144 0.000 1.225 236 S CA -0.627 57.530 58.200 -0.073 0.000 0.991 236 S CB 1.171 64.367 63.200 -0.007 0.000 0.987 236 S HN 0.704 nan 8.310 nan 0.000 0.552 237 K N -0.171 120.093 120.400 -0.228 0.000 2.360 237 K HA -0.102 -5.519 4.320 -16.227 0.000 0.201 237 K C 0.895 177.268 176.600 -0.378 0.000 1.046 237 K CA 1.636 57.731 56.287 -0.321 0.000 0.945 237 K CB -0.635 31.636 32.500 -0.381 0.000 0.750 237 K HN 0.805 nan 8.250 nan 0.000 0.464 238 H N 0.142 119.151 119.070 -0.103 0.000 2.539 238 H HA 0.132 -5.048 4.556 -16.227 0.000 0.269 238 H C 0.154 175.386 175.328 -0.161 0.000 0.980 238 H CA -0.452 55.527 56.048 -0.116 0.000 1.152 238 H CB 0.088 29.783 29.762 -0.111 0.000 1.407 238 H HN 0.222 nan 8.280 nan 0.000 0.564 239 N N 1.617 120.236 118.700 -0.135 0.000 2.458 239 N HA -0.039 -5.035 4.740 -16.227 0.000 0.258 239 N C 0.596 176.017 175.510 -0.148 0.000 1.219 239 N CA 0.401 53.313 53.050 -0.230 0.000 0.902 239 N CB 1.117 39.416 38.487 -0.313 0.000 1.076 239 N HN 0.202 nan 8.380 nan 0.000 0.455 240 V N 0.302 120.133 119.914 -0.138 0.000 3.070 240 V HA 0.445 -5.172 4.120 -16.227 0.000 0.345 240 V C 0.984 177.033 176.094 -0.075 0.000 1.403 240 V CA 0.112 62.360 62.300 -0.087 0.000 1.155 240 V CB -0.072 31.713 31.823 -0.063 0.000 1.140 240 V HN 0.792 nan 8.190 nan 0.000 0.505 241 G N 0.965 109.711 108.800 -0.090 0.000 2.137 241 G HA2 -0.230 -6.006 3.960 -16.227 0.000 0.237 241 G HA3 -0.230 -6.006 3.960 -16.227 0.000 0.237 241 G C 0.091 174.981 174.900 -0.015 0.000 1.002 241 G CA 0.313 45.383 45.100 -0.051 0.000 0.702 241 G HN 1.030 nan 8.290 nan 0.000 0.515 242 E N 0.952 121.140 120.200 -0.021 0.000 2.392 242 E HA 0.287 -5.099 4.350 -16.227 0.000 0.256 242 E C -0.411 176.272 176.600 0.139 0.000 1.145 242 E CA -0.484 55.940 56.400 0.040 0.000 0.929 242 E CB 0.803 30.515 29.700 0.020 0.000 0.998 242 E HN 0.198 nan 8.360 nan 0.000 0.442 243 D N 0.834 121.309 120.400 0.126 0.000 2.449 243 D HA 0.030 -5.066 4.640 -16.227 0.000 0.236 243 D C -0.166 176.193 176.300 0.098 0.000 1.149 243 D CA -0.162 53.909 54.000 0.118 0.000 0.878 243 D CB 0.366 41.225 40.800 0.099 0.000 1.198 243 D HN 0.257 nan 8.370 nan 0.000 0.446 244 L N 3.051 124.215 121.223 -0.099 0.000 2.342 244 L HA 0.185 -5.211 4.340 -16.227 0.000 0.285 244 L C -0.939 175.589 176.870 -0.570 0.000 1.095 244 L CA -0.228 54.259 54.840 -0.588 0.000 0.843 244 L CB 0.579 42.151 42.059 -0.812 0.000 1.201 244 L HN 0.059 nan 8.230 nan 0.000 0.445 245 V N 6.510 126.110 119.914 -0.523 0.000 2.384 245 V HA 0.428 -5.188 4.120 -16.227 0.000 0.287 245 V C -0.236 175.612 176.094 -0.409 0.000 1.020 245 V CA -0.429 61.676 62.300 -0.325 0.000 0.850 245 V CB 1.022 32.766 31.823 -0.132 0.000 0.987 245 V HN 0.472 nan 8.190 nan 0.000 0.436 246 F N 1.925 121.843 119.950 -0.054 0.000 2.422 246 F HA 0.462 -4.748 4.527 -16.228 0.000 0.333 246 F C 0.751 176.748 175.800 0.328 0.000 1.095 246 F CA -0.873 57.160 58.000 0.054 0.000 1.038 246 F CB 1.084 40.045 39.000 -0.065 0.000 1.156 246 F HN 0.438 nan 8.300 nan 0.000 0.483 247 D N 1.611 122.356 120.400 0.575 0.000 2.350 247 D HA 0.447 -4.649 4.640 -16.227 0.000 0.249 247 D C 0.113 176.687 176.300 0.458 0.000 1.119 247 D CA 0.290 54.583 54.000 0.488 0.000 0.886 247 D CB 1.542 42.589 40.800 0.411 0.000 1.195 247 D HN 0.766 nan 8.370 nan 0.000 0.437 248 G N 0.576 109.583 108.800 0.345 0.000 2.152 248 G HA2 0.376 -5.400 3.960 -16.227 0.000 0.290 248 G HA3 0.376 -5.400 3.960 -16.227 0.000 0.290 248 G C -1.143 173.871 174.900 0.190 0.000 1.307 248 G CA -0.447 44.760 45.100 0.178 0.000 1.289 248 G HN 0.308 nan 8.290 nan 0.000 0.612 249 V N 1.958 121.887 119.914 0.026 0.000 2.357 249 V HA 0.719 -4.897 4.120 -16.227 0.000 0.284 249 V C 1.262 177.363 176.094 0.012 0.000 1.018 249 V CA 0.705 63.011 62.300 0.010 0.000 0.841 249 V CB 1.074 32.872 31.823 -0.041 0.000 0.991 249 V HN 1.980 nan 8.190 nan 0.000 0.437 250 G N 4.695 113.531 108.800 0.060 0.000 2.160 250 G HA2 -0.214 -5.991 3.960 -16.227 0.000 0.251 250 G HA3 -0.214 -5.991 3.960 -16.227 0.000 0.251 250 G C -0.070 174.873 174.900 0.070 0.000 1.008 250 G CA 0.184 45.318 45.100 0.056 0.000 0.724 250 G HN 0.585 nan 8.290 nan 0.000 0.514 251 L N -0.172 121.113 121.223 0.104 0.000 2.326 251 L HA 0.460 -4.936 4.340 -16.227 0.000 0.278 251 L C 0.849 177.780 176.870 0.101 0.000 1.092 251 L CA -0.643 54.172 54.840 -0.041 0.000 0.810 251 L CB 1.372 43.188 42.059 -0.404 0.000 1.153 251 L HN 0.089 nan 8.230 nan 0.000 0.439 252 K N 4.319 124.744 120.400 0.042 0.000 2.264 252 K HA 0.422 -4.994 4.320 -16.227 0.000 0.277 252 K C -0.619 176.006 176.600 0.041 0.000 1.067 252 K CA -0.518 55.826 56.287 0.095 0.000 0.900 252 K CB 0.684 33.246 32.500 0.105 0.000 1.124 252 K HN 0.520 nan 8.250 nan 0.000 0.469 253 I N 4.906 125.529 120.570 0.088 0.000 2.452 253 I HA -0.040 -5.606 4.170 -16.227 0.000 0.287 253 I C 0.989 177.139 176.117 0.055 0.000 1.079 253 I CA -0.399 60.940 61.300 0.064 0.000 1.387 253 I CB 0.828 38.884 38.000 0.093 0.000 1.404 253 I HN 0.681 nan 8.210 nan 0.000 0.522 254 N N 4.910 123.618 118.700 0.013 0.000 2.258 254 N HA 0.002 -4.994 4.740 -16.227 0.000 0.183 254 N C -0.106 175.405 175.510 0.002 0.000 1.029 254 N CA 0.761 53.815 53.050 0.006 0.000 0.857 254 N CB 0.305 38.782 38.487 -0.018 0.000 1.008 254 N HN 0.746 nan 8.380 nan 0.000 0.433 255 E N -0.241 119.938 120.200 -0.035 0.000 2.388 255 E HA 0.416 -4.970 4.350 -16.227 0.000 0.280 255 E C -1.103 175.400 176.600 -0.161 0.000 1.019 255 E CA -0.793 55.569 56.400 -0.064 0.000 0.806 255 E CB 1.716 31.380 29.700 -0.060 0.000 1.246 255 E HN 0.117 nan 8.360 nan 0.000 0.443 256 I N -1.336 119.093 120.570 -0.235 0.000 2.689 256 I HA 0.829 -4.737 4.170 -16.227 0.000 0.299 256 I C -1.004 174.920 176.117 -0.321 0.000 1.059 256 I CA -0.615 60.441 61.300 -0.406 0.000 1.055 256 I CB 2.388 40.057 38.000 -0.552 0.000 1.243 256 I HN 0.481 nan 8.210 nan 0.000 0.425 257 S N 4.925 120.375 115.700 -0.418 0.000 2.588 257 S HA 0.692 -4.574 4.470 -16.227 0.000 0.275 257 S C -0.752 173.741 174.600 -0.178 0.000 1.130 257 S CA -0.622 57.441 58.200 -0.229 0.000 0.855 257 S CB 2.092 65.186 63.200 -0.175 0.000 1.116 257 S HN 0.569 nan 8.310 nan 0.000 0.472 258 I N 2.371 122.938 120.570 -0.005 0.000 2.436 258 I HA 0.363 -5.204 4.170 -16.227 0.000 0.289 258 I C -0.602 175.570 176.117 0.091 0.000 1.010 258 I CA -0.605 60.769 61.300 0.124 0.000 1.098 258 I CB 1.430 39.527 38.000 0.161 0.000 1.266 258 I HN 0.611 nan 8.210 nan 0.000 0.434 259 N N 5.141 123.915 118.700 0.123 0.000 2.725 259 N HA -0.259 -5.255 4.740 -16.227 0.000 0.251 259 N C 0.098 175.629 175.510 0.034 0.000 1.031 259 N CA 1.284 54.387 53.050 0.088 0.000 0.720 259 N CB -1.286 37.264 38.487 0.105 0.000 0.930 259 N HN 0.919 nan 8.380 nan 0.000 0.543 260 N N -2.141 116.559 118.700 0.000 0.000 2.753 260 N HA -0.266 -5.262 4.740 -16.227 0.000 0.251 260 N C -0.257 175.243 175.510 -0.018 0.000 1.097 260 N CA 1.324 54.361 53.050 -0.021 0.000 0.786 260 N CB -0.418 38.061 38.487 -0.013 0.000 1.137 260 N HN 0.566 nan 8.380 nan 0.000 0.566 261 K N 1.902 122.297 120.400 -0.009 0.000 2.293 261 K HA 0.255 -5.161 4.320 -16.227 0.000 0.267 261 K C -0.325 176.261 176.600 -0.023 0.000 1.010 261 K CA -0.610 55.673 56.287 -0.006 0.000 0.875 261 K CB 0.844 33.353 32.500 0.015 0.000 1.106 261 K HN 0.017 nan 8.250 nan 0.000 0.450 262 K N 4.234 124.617 120.400 -0.028 0.000 2.451 262 K HA 0.011 -5.405 4.320 -16.227 0.000 0.280 262 K C -0.509 176.083 176.600 -0.014 0.000 1.020 262 K CA -0.344 55.923 56.287 -0.033 0.000 1.008 262 K CB 0.394 32.881 32.500 -0.021 0.000 0.917 262 K HN 0.384 nan 8.250 nan 0.000 0.478 263 L N 4.591 125.813 121.223 -0.002 0.000 2.375 263 L HA 0.241 -5.155 4.340 -16.227 0.000 0.271 263 L C -0.515 176.460 176.870 0.175 0.000 1.107 263 L CA -0.362 54.514 54.840 0.060 0.000 0.806 263 L CB 1.533 43.640 42.059 0.080 0.000 1.146 263 L HN 0.410 nan 8.230 nan 0.000 0.447 264 V N -0.190 119.763 119.914 0.067 0.000 2.398 264 V HA 0.507 -5.109 4.120 -16.227 0.000 0.286 264 V C 0.130 176.067 176.094 -0.261 0.000 1.026 264 V CA -0.964 61.323 62.300 -0.021 0.000 0.868 264 V CB 1.368 33.151 31.823 -0.067 0.000 0.982 264 V HN 0.740 nan 8.190 nan 0.000 0.443 265 E N 2.669 122.591 120.200 -0.463 0.000 2.414 265 E HA 0.354 -5.032 4.350 -16.227 0.000 0.263 265 E C 1.249 177.605 176.600 -0.407 0.000 1.000 265 E CA 1.568 57.424 56.400 -0.906 0.000 0.914 265 E CB 1.061 30.433 29.700 -0.547 0.000 0.948 265 E HN 1.380 nan 8.360 nan 0.000 0.444 266 G N 5.059 113.661 108.800 -0.330 0.000 2.812 266 G HA2 -0.390 -6.166 3.960 -16.227 0.000 0.219 266 G HA3 -0.390 -6.166 3.960 -16.227 0.000 0.219 266 G C 1.102 176.061 174.900 0.100 0.000 1.275 266 G CA 0.545 45.616 45.100 -0.049 0.000 0.769 266 G HN 0.606 nan 8.290 nan 0.000 0.527 267 E N 0.641 120.851 120.200 0.017 0.000 2.051 267 E HA 0.057 -5.329 4.350 -16.227 0.000 0.189 267 E C 2.161 178.867 176.600 0.176 0.000 0.979 267 E CA 1.333 57.778 56.400 0.075 0.000 0.803 267 E CB 0.029 29.717 29.700 -0.020 0.000 0.761 267 E HN 0.684 nan 8.360 nan 0.000 0.451 268 E N -1.462 118.701 120.200 -0.061 0.000 2.434 268 E HA 0.070 -5.316 4.350 -16.227 0.000 0.207 268 E C -0.531 176.043 176.600 -0.043 0.000 0.929 268 E CA -0.056 56.181 56.400 -0.271 0.000 1.001 268 E CB 0.834 30.125 29.700 -0.681 0.000 1.016 268 E HN 0.228 nan 8.360 nan 0.000 0.502 269 Y N -0.849 119.329 120.300 -0.203 0.000 2.609 269 Y HA 0.558 -4.628 4.550 -16.227 0.000 0.336 269 Y C -0.902 174.882 175.900 -0.193 0.000 1.129 269 Y CA -1.309 56.553 58.100 -0.398 0.000 1.040 269 Y CB 1.149 39.468 38.460 -0.234 0.000 1.310 269 Y HN -0.182 nan 8.280 nan 0.000 0.460 270 T N -0.104 114.413 114.554 -0.062 0.000 2.893 270 T HA 0.580 -4.806 4.350 -16.227 0.000 0.291 270 T C -1.854 173.049 174.700 0.338 0.000 1.028 270 T CA -0.725 61.439 62.100 0.106 0.000 0.995 270 T CB 1.989 70.941 68.868 0.140 0.000 1.051 270 T HN 0.932 nan 8.240 nan 0.000 0.470 271 Y N 2.139 122.557 120.300 0.196 0.000 2.386 271 Y HA 0.424 -4.763 4.550 -16.228 0.000 0.334 271 Y C -0.600 175.407 175.900 0.179 0.000 1.002 271 Y CA -0.912 57.324 58.100 0.227 0.000 1.068 271 Y CB 1.748 40.388 38.460 0.299 0.000 1.203 271 Y HN 0.872 nan 8.280 nan 0.000 0.443 272 D N 2.736 122.957 120.400 -0.298 0.000 2.501 272 D HA 0.106 -4.991 4.640 -16.227 0.000 0.226 272 D C 0.220 176.236 176.300 -0.473 0.000 1.198 272 D CA -0.112 53.730 54.000 -0.264 0.000 0.830 272 D CB -0.023 40.763 40.800 -0.023 0.000 1.014 272 D HN 0.691 nan 8.370 nan 0.000 0.496 273 N N -0.130 117.886 118.700 -1.139 0.000 2.948 273 N HA -0.246 -5.242 4.740 -16.227 0.000 0.239 273 N C 0.527 175.830 175.510 -0.344 0.000 0.954 273 N CA 1.680 54.282 53.050 -0.745 0.000 0.941 273 N CB -1.020 37.290 38.487 -0.294 0.000 1.101 273 N HN 0.575 nan 8.380 nan 0.000 0.579 274 E N -2.142 117.858 120.200 -0.334 0.000 2.571 274 E HA 0.224 -5.162 4.350 -16.227 0.000 0.204 274 E C -0.840 175.498 176.600 -0.437 0.000 0.851 274 E CA 0.070 56.232 56.400 -0.396 0.000 1.358 274 E CB 0.507 29.852 29.700 -0.590 0.000 1.327 274 E HN 0.118 nan 8.360 nan 0.000 0.665 275 F N 1.272 121.367 119.950 0.241 0.000 2.529 275 F HA 0.395 -4.814 4.527 -16.228 0.000 0.320 275 F C -0.643 175.417 175.800 0.433 0.000 1.118 275 F CA -1.037 57.151 58.000 0.313 0.000 0.915 275 F CB 1.683 40.792 39.000 0.182 0.000 1.161 275 F HN -0.063 nan 8.300 nan 0.000 0.445 276 L N 3.047 124.624 121.223 0.589 0.000 2.257 276 L HA 0.610 -4.786 4.340 -16.227 0.000 0.290 276 L C -0.344 176.602 176.870 0.127 0.000 1.044 276 L CA 0.227 55.248 54.840 0.302 0.000 0.810 276 L CB 0.830 42.742 42.059 -0.247 0.000 1.193 276 L HN 0.608 nan 8.230 nan 0.000 0.425 277 T N 6.917 121.511 114.554 0.065 0.000 2.772 277 T HA 0.545 -4.841 4.350 -16.227 0.000 0.288 277 T C -0.006 174.524 174.700 -0.283 0.000 0.994 277 T CA -0.054 61.987 62.100 -0.099 0.000 0.951 277 T CB 0.358 69.189 68.868 -0.062 0.000 0.933 277 T HN 0.418 nan 8.240 nan 0.000 0.447 278 I N 3.979 124.392 120.570 -0.260 0.000 2.321 278 I HA 0.355 -5.212 4.170 -16.227 0.000 0.291 278 I C -0.241 175.797 176.117 -0.132 0.000 0.998 278 I CA -0.838 60.324 61.300 -0.229 0.000 1.227 278 I CB 0.655 38.591 38.000 -0.106 0.000 1.368 278 I HN 0.477 nan 8.210 nan 0.000 0.466 279 F N 4.015 124.102 119.950 0.228 0.000 2.572 279 F HA -0.000 -5.210 4.527 -16.227 0.000 0.370 279 F C 1.972 177.851 175.800 0.132 0.000 1.103 279 F CA -0.121 57.998 58.000 0.199 0.000 1.286 279 F CB 0.318 39.487 39.000 0.280 0.000 1.105 279 F HN 0.623 nan 8.300 nan 0.000 0.583 280 S N 2.184 118.018 115.700 0.224 0.000 2.402 280 S HA -0.294 -5.560 4.470 -16.227 0.000 0.233 280 S C 1.712 176.307 174.600 -0.009 0.000 1.030 280 S CA 1.406 59.662 58.200 0.093 0.000 1.003 280 S CB -0.764 62.476 63.200 0.067 0.000 0.813 280 S HN 0.797 nan 8.310 nan 0.000 0.477 281 K N 0.210 120.533 120.400 -0.128 0.000 2.360 281 K HA -0.012 -5.429 4.320 -16.227 0.000 0.201 281 K C 0.838 177.180 176.600 -0.430 0.000 1.046 281 K CA 1.155 57.234 56.287 -0.346 0.000 0.945 281 K CB -0.512 31.667 32.500 -0.534 0.000 0.750 281 K HN 0.482 nan 8.250 nan 0.000 0.464 282 F N 1.272 121.252 119.950 0.050 0.000 2.695 282 F HA 0.207 -5.003 4.527 -16.227 0.000 0.303 282 F C 0.244 176.005 175.800 -0.066 0.000 1.091 282 F CA -0.663 57.348 58.000 0.019 0.000 1.300 282 F CB 0.587 39.630 39.000 0.072 0.000 1.071 282 F HN -0.267 nan 8.300 nan 0.000 0.578 283 V N 2.548 122.469 119.914 0.012 0.000 2.432 283 V HA 0.274 -5.342 4.120 -16.227 0.000 0.275 283 V C -1.868 174.086 176.094 -0.234 0.000 1.043 283 V CA -2.000 60.191 62.300 -0.182 0.000 0.925 283 V CB 0.750 32.513 31.823 -0.099 0.000 0.985 283 V HN -0.096 nan 8.190 nan 0.000 0.466 284 P HA 0.204 nan 4.420 nan 0.000 0.270 284 P C 0.295 177.535 177.300 -0.100 0.000 1.223 284 P CA -0.223 62.730 63.100 -0.246 0.000 0.785 284 P CB 0.733 32.272 31.700 -0.269 0.000 0.923 285 K N -0.245 120.154 120.400 -0.001 0.000 2.367 285 K HA 0.118 -5.298 4.320 -16.227 0.000 0.194 285 K C 0.826 177.478 176.600 0.086 0.000 1.027 285 K CA 0.256 56.564 56.287 0.036 0.000 1.075 285 K CB 0.253 32.759 32.500 0.010 0.000 0.845 285 K HN 0.571 nan 8.250 nan 0.000 0.529 286 S N -0.303 115.477 115.700 0.135 0.000 2.900 286 S HA 0.354 -4.912 4.470 -16.227 0.000 0.320 286 S C -0.641 174.124 174.600 0.275 0.000 1.130 286 S CA -1.060 57.234 58.200 0.156 0.000 0.863 286 S CB 0.975 64.234 63.200 0.098 0.000 1.295 286 S HN -0.113 nan 8.310 nan 0.000 0.596 287 K N 1.076 121.586 120.400 0.184 0.000 2.491 287 K HA 0.276 -5.140 4.320 -16.227 0.000 0.279 287 K C -0.778 175.971 176.600 0.248 0.000 1.026 287 K CA 0.497 56.875 56.287 0.151 0.000 1.070 287 K CB -0.423 32.115 32.500 0.062 0.000 0.887 287 K HN 0.518 nan 8.250 nan 0.000 0.481 288 F N -0.599 119.391 119.950 0.067 0.000 2.664 288 F HA 0.688 -4.521 4.527 -16.227 0.000 0.317 288 F C -1.277 174.571 175.800 0.080 0.000 1.108 288 F CA -1.518 56.526 58.000 0.073 0.000 0.957 288 F CB 1.164 40.218 39.000 0.091 0.000 1.365 288 F HN 0.314 nan 8.300 nan 0.000 0.475 289 A N 2.046 124.991 122.820 0.209 0.000 2.273 289 A HA 0.655 -4.761 4.320 -16.227 0.000 0.315 289 A C -1.757 175.977 177.584 0.250 0.000 1.256 289 A CA -0.454 51.640 52.037 0.096 0.000 0.851 289 A CB 0.153 19.183 19.000 0.050 0.000 1.172 289 A HN 0.786 nan 8.150 nan 0.000 0.508 290 F N 3.833 123.817 119.950 0.057 0.000 2.408 290 F HA 0.607 -4.602 4.527 -16.227 0.000 0.344 290 F C 0.444 176.216 175.800 -0.046 0.000 1.112 290 F CA -0.052 57.994 58.000 0.076 0.000 1.096 290 F CB 1.445 40.517 39.000 0.121 0.000 1.129 290 F HN 0.557 nan 8.300 nan 0.000 0.486 291 S N 3.517 118.674 115.700 -0.905 0.000 2.548 291 S HA 0.884 -4.383 4.470 -16.227 0.000 0.286 291 S C -0.950 173.099 174.600 -0.919 0.000 1.098 291 S CA -0.401 57.384 58.200 -0.692 0.000 0.930 291 S CB 1.552 64.552 63.200 -0.334 0.000 1.070 291 S HN 0.977 nan 8.310 nan 0.000 0.480 292 S N 0.172 115.559 115.700 -0.522 0.000 2.550 292 S HA 0.681 -4.585 4.470 -16.227 0.000 0.270 292 S C -1.478 173.019 174.600 -0.173 0.000 1.145 292 S CA -0.805 57.192 58.200 -0.338 0.000 0.852 292 S CB 1.761 64.873 63.200 -0.146 0.000 1.119 292 S HN 0.947 nan 8.310 nan 0.000 0.465 293 E N 1.091 121.216 120.200 -0.125 0.000 2.218 293 E HA 0.609 -4.778 4.350 -16.227 0.000 0.263 293 E C -0.931 175.623 176.600 -0.077 0.000 0.879 293 E CA -0.942 55.402 56.400 -0.094 0.000 0.762 293 E CB 1.735 31.387 29.700 -0.080 0.000 1.166 293 E HN 0.801 nan 8.360 nan 0.000 0.415 294 V N 1.744 121.594 119.914 -0.107 0.000 3.001 294 V HA 0.669 -4.948 4.120 -16.227 0.000 0.314 294 V C -0.484 175.527 176.094 -0.137 0.000 1.099 294 V CA -0.904 61.319 62.300 -0.129 0.000 0.989 294 V CB 1.728 33.406 31.823 -0.241 0.000 1.040 294 V HN 0.626 nan 8.190 nan 0.000 0.434 295 I N 3.783 124.274 120.570 -0.131 0.000 2.404 295 I HA 0.625 -4.941 4.170 -16.227 0.000 0.293 295 I C -0.217 175.735 176.117 -0.274 0.000 0.992 295 I CA -0.609 60.576 61.300 -0.191 0.000 1.149 295 I CB 1.662 39.580 38.000 -0.137 0.000 1.315 295 I HN 0.794 nan 8.210 nan 0.000 0.446 296 I N 2.103 122.438 120.570 -0.392 0.000 3.108 296 I HA 0.568 -4.998 4.170 -16.227 0.000 0.312 296 I C -1.170 174.583 176.117 -0.606 0.000 1.095 296 I CA -0.858 60.222 61.300 -0.367 0.000 1.000 296 I CB 2.348 40.230 38.000 -0.198 0.000 1.229 296 I HN 0.485 nan 8.210 nan 0.000 0.454 297 H N 1.495 120.537 119.070 -0.047 0.000 2.488 297 H HA 0.314 -4.867 4.556 -16.227 0.000 0.237 297 H C -2.227 173.066 175.328 -0.057 0.000 1.395 297 H CA -1.383 54.639 56.048 -0.043 0.000 1.491 297 H CB 0.506 30.243 29.762 -0.041 0.000 1.567 297 H HN 0.428 nan 8.280 nan 0.000 0.508 298 P HA -0.228 nan 4.420 nan 0.000 0.219 298 P C 1.654 178.962 177.300 0.013 0.000 1.146 298 P CA 0.981 64.091 63.100 0.016 0.000 0.808 298 P CB 0.573 32.264 31.700 -0.015 0.000 0.779 299 E N 0.345 120.558 120.200 0.022 0.000 2.118 299 E HA -0.142 -5.528 4.350 -16.227 0.000 0.195 299 E C 1.629 178.152 176.600 -0.128 0.000 0.992 299 E CA 1.899 58.310 56.400 0.019 0.000 0.804 299 E CB -1.369 28.370 29.700 0.065 0.000 0.741 299 E HN 0.564 nan 8.360 nan 0.000 0.458 300 T N -2.380 112.024 114.554 -0.249 0.000 3.134 300 T HA 0.217 -5.169 4.350 -16.227 0.000 0.260 300 T C 0.535 174.702 174.700 -0.888 0.000 1.027 300 T CA -0.060 61.641 62.100 -0.665 0.000 0.913 300 T CB -0.293 68.417 68.868 -0.262 0.000 1.046 300 T HN 0.081 nan 8.240 nan 0.000 0.553 301 N N 1.428 119.832 118.700 -0.494 0.000 2.807 301 N HA 0.140 -4.856 4.740 -16.227 0.000 0.259 301 N C -0.388 174.965 175.510 -0.261 0.000 1.149 301 N CA -0.740 52.144 53.050 -0.277 0.000 1.042 301 N CB -0.225 38.233 38.487 -0.049 0.000 1.367 301 N HN 0.344 nan 8.380 nan 0.000 0.516 302 Y N 0.677 121.002 120.300 0.043 0.000 2.511 302 Y HA 0.249 -4.938 4.550 -16.227 0.000 0.279 302 Y C 1.975 177.903 175.900 0.046 0.000 1.157 302 Y CA 0.066 58.195 58.100 0.049 0.000 1.300 302 Y CB -0.228 38.273 38.460 0.069 0.000 1.052 302 Y HN 0.554 nan 8.280 nan 0.000 0.529 303 A N 0.174 123.033 122.820 0.063 0.000 2.167 303 A HA 0.102 -5.314 4.320 -16.227 0.000 0.214 303 A C 1.280 178.725 177.584 -0.230 0.000 1.151 303 A CA 0.454 52.466 52.037 -0.043 0.000 0.735 303 A CB -0.698 18.270 19.000 -0.052 0.000 0.802 303 A HN 0.521 nan 8.150 nan 0.000 0.467 304 L N -0.352 120.606 121.223 -0.442 0.000 3.717 304 L HA -0.182 -5.578 4.340 -16.227 0.000 0.411 304 L C 0.023 176.488 176.870 -0.675 0.000 1.233 304 L CA 0.439 54.620 54.840 -1.100 0.000 0.917 304 L CB -3.014 38.477 42.059 -0.946 0.000 1.902 304 L HN 0.600 nan 8.230 nan 0.000 0.894 305 T N -2.743 111.632 114.554 -0.299 0.000 2.893 305 T HA 0.768 -4.618 4.350 -16.227 0.000 0.293 305 T C 0.540 175.249 174.700 0.015 0.000 1.027 305 T CA 0.168 62.203 62.100 -0.109 0.000 0.988 305 T CB 2.863 71.653 68.868 -0.129 0.000 1.043 305 T HN 1.245 nan 8.240 nan 0.000 0.461 306 G N 1.442 110.289 108.800 0.079 0.000 2.488 306 G HA2 -0.008 -5.784 3.960 -16.227 0.000 0.237 306 G HA3 -0.008 -5.784 3.960 -16.227 0.000 0.237 306 G C -0.973 174.023 174.900 0.160 0.000 1.209 306 G CA -0.218 44.931 45.100 0.082 0.000 0.929 306 G HN 1.233 nan 8.290 nan 0.000 0.578 307 L N 1.746 123.027 121.223 0.096 0.000 2.282 307 L HA 0.818 -4.579 4.340 -16.227 0.000 0.288 307 L C -0.084 176.867 176.870 0.135 0.000 1.033 307 L CA -0.657 54.224 54.840 0.069 0.000 0.807 307 L CB 0.760 42.810 42.059 -0.015 0.000 1.209 307 L HN 1.107 nan 8.230 nan 0.000 0.423 308 Y N 2.161 122.448 120.300 -0.021 0.000 2.655 308 Y HA 0.594 -4.592 4.550 -16.228 0.000 0.336 308 Y C -1.208 174.699 175.900 0.012 0.000 1.154 308 Y CA -1.481 56.609 58.100 -0.016 0.000 1.055 308 Y CB 1.102 39.558 38.460 -0.006 0.000 1.295 308 Y HN 0.505 nan 8.280 nan 0.000 0.465 309 K N 1.562 122.055 120.400 0.155 0.000 2.213 309 K HA 0.538 -4.878 4.320 -16.227 0.000 0.270 309 K C -1.086 175.650 176.600 0.226 0.000 1.002 309 K CA -0.581 55.766 56.287 0.101 0.000 0.868 309 K CB 1.319 33.891 32.500 0.121 0.000 1.093 309 K HN 0.761 nan 8.250 nan 0.000 0.454 310 S N 4.531 120.313 115.700 0.136 0.000 2.594 310 S HA 0.266 -5.001 4.470 -16.227 0.000 0.322 310 S C -0.214 174.478 174.600 0.154 0.000 1.085 310 S CA -0.445 57.882 58.200 0.212 0.000 1.116 310 S CB 0.198 63.532 63.200 0.223 0.000 0.979 310 S HN 0.883 nan 8.310 nan 0.000 0.465 311 K N 3.381 123.876 120.400 0.157 0.000 2.554 311 K HA -0.241 -5.657 4.320 -16.227 0.000 0.167 311 K C -0.048 176.616 176.600 0.107 0.000 0.814 311 K CA 1.912 58.273 56.287 0.123 0.000 0.416 311 K CB -1.136 31.434 32.500 0.116 0.000 0.752 311 K HN 0.658 nan 8.250 nan 0.000 0.770 312 N N 1.117 119.870 118.700 0.088 0.000 2.238 312 N HA 0.284 -4.713 4.740 -16.227 0.000 0.222 312 N C -0.485 175.098 175.510 0.123 0.000 1.133 312 N CA 0.279 53.371 53.050 0.070 0.000 0.854 312 N CB 0.350 38.838 38.487 0.003 0.000 1.041 312 N HN 0.238 nan 8.380 nan 0.000 0.510 313 I N 1.385 122.032 120.570 0.128 0.000 2.433 313 I HA 0.320 -5.246 4.170 -16.227 0.000 0.292 313 I C -0.203 175.941 176.117 0.046 0.000 1.001 313 I CA -0.710 60.657 61.300 0.113 0.000 1.119 313 I CB 2.029 40.059 38.000 0.050 0.000 1.289 313 I HN -0.259 nan 8.210 nan 0.000 0.438 314 I N 6.718 127.290 120.570 0.004 0.000 2.365 314 I HA 0.421 -5.145 4.170 -16.227 0.000 0.291 314 I C -0.101 175.877 176.117 -0.231 0.000 1.004 314 I CA -0.236 60.969 61.300 -0.158 0.000 1.311 314 I CB 1.422 39.255 38.000 -0.279 0.000 1.401 314 I HN 0.264 nan 8.210 nan 0.000 0.491 315 V N 6.145 125.845 119.914 -0.356 0.000 3.087 315 V HA 0.582 -5.034 4.120 -16.227 0.000 0.306 315 V C -0.390 175.473 176.094 -0.384 0.000 1.187 315 V CA -0.371 61.706 62.300 -0.372 0.000 0.999 315 V CB 2.650 34.249 31.823 -0.373 0.000 1.049 315 V HN 0.914 nan 8.190 nan 0.000 0.431 316 S N 4.108 119.698 115.700 -0.183 0.000 2.593 316 S HA 0.841 -4.426 4.470 -16.227 0.000 0.297 316 S C -0.816 173.856 174.600 0.120 0.000 1.112 316 S CA -0.628 57.566 58.200 -0.009 0.000 1.043 316 S CB 1.815 65.033 63.200 0.030 0.000 1.054 316 S HN 1.004 nan 8.310 nan 0.000 0.516 317 Q N 0.754 120.685 119.800 0.218 0.000 2.294 317 Q HA 0.507 -4.890 4.340 -16.227 0.000 0.264 317 Q C -0.872 175.207 176.000 0.131 0.000 0.992 317 Q CA -0.542 55.366 55.803 0.175 0.000 0.747 317 Q CB 0.788 29.600 28.738 0.124 0.000 1.262 317 Q HN 0.783 nan 8.270 nan 0.000 0.452 318 C N 2.447 121.843 119.300 0.159 0.000 2.820 318 C HA 0.292 -4.984 4.460 -16.227 0.000 0.323 318 C C 0.720 175.821 174.990 0.185 0.000 1.279 318 C CA -0.114 59.034 59.018 0.216 0.000 1.790 318 C CB 0.050 27.995 27.740 0.343 0.000 2.328 318 C HN 0.831 nan 8.230 nan 0.000 0.579 319 E N 0.883 121.177 120.200 0.156 0.000 2.344 319 E HA 0.353 -5.034 4.350 -16.227 0.000 0.270 319 E C 0.680 177.145 176.600 -0.224 0.000 1.021 319 E CA 0.116 56.545 56.400 0.048 0.000 0.887 319 E CB 1.023 30.788 29.700 0.108 0.000 0.997 319 E HN 0.426 nan 8.360 nan 0.000 0.429 320 A N 3.036 125.619 122.820 -0.396 0.000 1.956 320 A HA -0.029 -5.445 4.320 -16.227 0.000 0.212 320 A C 1.412 178.907 177.584 -0.149 0.000 1.188 320 A CA 1.125 52.816 52.037 -0.577 0.000 0.675 320 A CB 0.141 18.338 19.000 -1.339 0.000 0.845 320 A HN 0.647 nan 8.150 nan 0.000 0.455 321 T N -4.037 110.444 114.554 -0.122 0.000 3.355 321 T HA 0.446 -4.940 4.350 -16.227 0.000 0.276 321 T C 1.009 175.749 174.700 0.066 0.000 1.003 321 T CA 0.509 62.632 62.100 0.037 0.000 0.943 321 T CB 0.440 69.301 68.868 -0.012 0.000 1.158 321 T HN 0.226 nan 8.240 nan 0.000 0.513 322 G N 0.261 109.117 108.800 0.093 0.000 2.595 322 G HA2 0.080 -5.697 3.960 -16.227 0.000 0.213 322 G HA3 0.080 -5.697 3.960 -16.227 0.000 0.213 322 G C 0.852 175.833 174.900 0.135 0.000 1.141 322 G CA -0.254 44.897 45.100 0.085 0.000 0.806 322 G HN 0.469 nan 8.290 nan 0.000 0.530 323 F N 2.961 122.949 119.950 0.063 0.000 2.161 323 F HA -0.102 -5.311 4.527 -16.226 0.000 0.300 323 F C 2.806 178.598 175.800 -0.014 0.000 1.089 323 F CA 1.633 59.636 58.000 0.006 0.000 1.282 323 F CB 0.061 39.032 39.000 -0.049 0.000 1.010 323 F HN 0.204 nan 8.300 nan 0.000 0.485 324 R N 0.234 120.794 120.500 0.100 0.000 2.293 324 R HA -0.088 -5.485 4.340 -16.227 0.000 0.219 324 R C 1.643 177.870 176.300 -0.121 0.000 1.091 324 R CA 1.238 57.352 56.100 0.025 0.000 1.004 324 R CB -0.694 29.697 30.300 0.153 0.000 0.865 324 R HN 0.280 nan 8.270 nan 0.000 0.469 325 R N 0.152 120.577 120.500 -0.126 0.000 2.317 325 R HA 0.253 -5.143 4.340 -16.227 0.000 0.208 325 R C 1.470 177.642 176.300 -0.213 0.000 0.914 325 R CA 0.306 56.326 56.100 -0.135 0.000 1.060 325 R CB 0.222 30.483 30.300 -0.065 0.000 1.015 325 R HN 0.314 nan 8.270 nan 0.000 0.498 326 I N -1.361 119.000 120.570 -0.349 0.000 2.947 326 I HA 0.049 -5.518 4.170 -16.227 0.000 0.263 326 I C 0.951 176.756 176.117 -0.520 0.000 1.130 326 I CA 0.589 61.636 61.300 -0.421 0.000 1.448 326 I CB 0.675 38.371 38.000 -0.507 0.000 1.222 326 I HN -0.068 nan 8.210 nan 0.000 0.453 327 T N -0.952 113.199 114.554 -0.672 0.000 2.769 327 T HA 0.411 -4.975 4.350 -16.227 0.000 0.306 327 T C -1.502 172.933 174.700 -0.442 0.000 1.400 327 T CA -0.605 61.147 62.100 -0.579 0.000 1.007 327 T CB 0.729 69.328 68.868 -0.449 0.000 1.392 327 T HN -0.163 nan 8.240 nan 0.000 0.500 328 F N 2.196 122.067 119.950 -0.133 0.000 2.529 328 F HA 0.634 -4.575 4.527 -16.228 0.000 0.365 328 F C 0.088 175.968 175.800 0.133 0.000 1.102 328 F CA 0.184 58.137 58.000 -0.079 0.000 1.271 328 F CB 0.257 39.064 39.000 -0.321 0.000 1.120 328 F HN 0.433 nan 8.300 nan 0.000 0.579 329 F N 2.075 122.225 119.950 0.333 0.000 2.741 329 F HA 0.455 -4.755 4.527 -16.228 0.000 0.311 329 F C -1.022 175.101 175.800 0.539 0.000 1.149 329 F CA -1.383 56.889 58.000 0.452 0.000 0.930 329 F CB 1.151 40.471 39.000 0.533 0.000 1.312 329 F HN 0.174 nan 8.300 nan 0.000 0.450 330 I N 3.086 123.694 120.570 0.064 0.000 2.243 330 I HA 0.130 -5.436 4.170 -16.227 0.000 0.297 330 I C -0.371 175.966 176.117 0.366 0.000 1.161 330 I CA 0.008 61.383 61.300 0.125 0.000 1.298 330 I CB -0.111 37.839 38.000 -0.083 0.000 1.475 330 I HN 0.314 nan 8.210 nan 0.000 0.561 331 D N 8.277 128.985 120.400 0.513 0.000 2.551 331 D HA 0.141 -4.955 4.640 -16.227 0.000 0.223 331 D C -0.079 176.492 176.300 0.452 0.000 1.144 331 D CA -0.148 54.202 54.000 0.583 0.000 1.025 331 D CB 0.146 41.257 40.800 0.518 0.000 1.085 331 D HN 0.513 nan 8.370 nan 0.000 0.506 332 R N 1.366 122.105 120.500 0.399 0.000 2.643 332 R HA 0.408 -4.989 4.340 -16.227 0.000 0.269 332 R C -2.477 173.920 176.300 0.161 0.000 1.037 332 R CA -1.435 54.823 56.100 0.264 0.000 0.894 332 R CB 1.060 31.484 30.300 0.207 0.000 1.238 332 R HN -0.195 nan 8.270 nan 0.000 0.459 333 P HA -0.160 nan 4.420 nan 0.000 0.225 333 P C 0.150 177.453 177.300 0.006 0.000 1.148 333 P CA 1.145 64.204 63.100 -0.068 0.000 0.779 333 P CB 0.127 31.526 31.700 -0.502 0.000 0.780 334 D N -1.620 118.797 120.400 0.027 0.000 2.349 334 D HA -0.046 -5.142 4.640 -16.227 0.000 0.224 334 D C 0.611 176.973 176.300 0.103 0.000 1.029 334 D CA 0.372 54.416 54.000 0.073 0.000 0.879 334 D CB -0.529 40.353 40.800 0.137 0.000 0.906 334 D HN 0.093 nan 8.370 nan 0.000 0.528 335 M N 1.339 121.022 119.600 0.139 0.000 2.725 335 M HA 0.216 -5.040 4.480 -16.227 0.000 0.322 335 M C -0.210 176.209 176.300 0.199 0.000 1.393 335 M CA 0.113 55.508 55.300 0.158 0.000 1.452 335 M CB 0.384 33.089 32.600 0.174 0.000 1.242 335 M HN -0.068 nan 8.290 nan 0.000 0.487 336 M N 2.154 121.834 119.600 0.133 0.000 2.180 336 M HA 0.665 -4.591 4.480 -16.227 0.000 0.358 336 M C 0.083 176.463 176.300 0.134 0.000 1.233 336 M CA -0.101 55.273 55.300 0.124 0.000 1.114 336 M CB 0.973 33.613 32.600 0.067 0.000 1.594 336 M HN 0.620 nan 8.290 nan 0.000 0.467 337 A N 3.497 126.428 122.820 0.185 0.000 2.594 337 A HA 0.731 -4.686 4.320 -16.227 0.000 0.291 337 A C -0.966 176.708 177.584 0.149 0.000 1.105 337 A CA -0.961 51.145 52.037 0.116 0.000 0.694 337 A CB 1.703 20.737 19.000 0.056 0.000 1.291 337 A HN 0.753 nan 8.150 nan 0.000 0.410 338 K N 0.182 120.605 120.400 0.038 0.000 2.144 338 K HA 0.536 -4.880 4.320 -16.227 0.000 0.270 338 K C -1.707 174.884 176.600 -0.014 0.000 1.005 338 K CA 0.132 56.471 56.287 0.087 0.000 0.932 338 K CB 0.925 33.447 32.500 0.037 0.000 1.021 338 K HN 0.569 nan 8.250 nan 0.000 0.462 339 Y N 0.625 120.943 120.300 0.031 0.000 2.350 339 Y HA 0.174 -5.012 4.550 -16.227 0.000 0.338 339 Y C -0.499 175.448 175.900 0.077 0.000 0.961 339 Y CA -0.779 57.353 58.100 0.053 0.000 1.100 339 Y CB 1.860 40.359 38.460 0.066 0.000 1.179 339 Y HN 0.523 nan 8.280 nan 0.000 0.454 340 D N 3.552 124.056 120.400 0.173 0.000 2.471 340 D HA 0.445 -4.651 4.640 -16.227 0.000 0.245 340 D C -1.647 174.763 176.300 0.183 0.000 1.116 340 D CA -0.203 53.890 54.000 0.155 0.000 0.853 340 D CB 1.594 42.442 40.800 0.080 0.000 1.123 340 D HN 0.278 nan 8.370 nan 0.000 0.540 341 V N 3.385 123.447 119.914 0.247 0.000 2.444 341 V HA 0.446 -5.170 4.120 -16.227 0.000 0.294 341 V C 0.210 176.465 176.094 0.269 0.000 1.022 341 V CA -0.598 61.866 62.300 0.273 0.000 0.850 341 V CB 1.975 34.018 31.823 0.367 0.000 0.992 341 V HN 0.509 nan 8.190 nan 0.000 0.426 342 T N 4.422 119.096 114.554 0.200 0.000 2.797 342 T HA 0.655 -4.731 4.350 -16.227 0.000 0.279 342 T C -0.406 174.374 174.700 0.134 0.000 0.991 342 T CA -0.419 61.795 62.100 0.190 0.000 0.979 342 T CB 1.677 70.658 68.868 0.187 0.000 0.943 342 T HN 0.366 nan 8.240 nan 0.000 0.444 343 V N 3.575 123.543 119.914 0.089 0.000 2.495 343 V HA 0.748 -4.868 4.120 -16.227 0.000 0.298 343 V C 0.334 176.349 176.094 -0.131 0.000 1.031 343 V CA -0.924 61.364 62.300 -0.019 0.000 0.871 343 V CB 1.772 33.568 31.823 -0.044 0.000 0.988 343 V HN 1.080 nan 8.190 nan 0.000 0.432 344 T N 1.336 115.804 114.554 -0.144 0.000 2.893 344 T HA 0.952 -4.434 4.350 -16.227 0.000 0.291 344 T C -0.534 174.035 174.700 -0.217 0.000 1.028 344 T CA -0.208 61.771 62.100 -0.201 0.000 0.995 344 T CB 2.133 70.949 68.868 -0.088 0.000 1.051 344 T HN 1.499 nan 8.240 nan 0.000 0.470 345 A N 1.783 124.503 122.820 -0.167 0.000 2.586 345 A HA 0.646 -4.771 4.320 -16.227 0.000 0.290 345 A C -1.172 176.496 177.584 0.141 0.000 1.086 345 A CA -0.955 51.045 52.037 -0.061 0.000 0.665 345 A CB 0.974 19.927 19.000 -0.079 0.000 1.279 345 A HN 0.969 nan 8.150 nan 0.000 0.423 346 D N 0.455 120.978 120.400 0.204 0.000 2.450 346 D HA 0.142 -4.954 4.640 -16.227 0.000 0.247 346 D C 1.077 177.490 176.300 0.187 0.000 1.162 346 D CA 0.595 54.701 54.000 0.177 0.000 0.879 346 D CB 0.787 41.670 40.800 0.139 0.000 1.163 346 D HN 0.529 nan 8.370 nan 0.000 0.472 347 K N 2.805 123.238 120.400 0.054 0.000 2.057 347 K HA -0.222 -5.638 4.320 -16.227 0.000 0.207 347 K C 1.540 178.042 176.600 -0.163 0.000 1.049 347 K CA 1.193 57.336 56.287 -0.240 0.000 0.931 347 K CB 0.079 32.337 32.500 -0.403 0.000 0.714 347 K HN 0.471 nan 8.250 nan 0.000 0.440 348 E N 1.044 121.181 120.200 -0.105 0.000 2.051 348 E HA -0.180 -5.566 4.350 -16.227 0.000 0.192 348 E C 1.549 178.064 176.600 -0.141 0.000 0.991 348 E CA 1.822 58.159 56.400 -0.105 0.000 0.799 348 E CB 0.125 29.778 29.700 -0.079 0.000 0.748 348 E HN 0.229 nan 8.360 nan 0.000 0.449 349 K N -1.394 118.885 120.400 -0.202 0.000 2.116 349 K HA -0.049 -5.465 4.320 -16.227 0.000 0.203 349 K C 0.027 176.253 176.600 -0.623 0.000 1.052 349 K CA 0.832 56.835 56.287 -0.472 0.000 0.952 349 K CB 0.158 32.254 32.500 -0.674 0.000 0.729 349 K HN 0.170 nan 8.250 nan 0.000 0.446 350 Y N 0.110 120.420 120.300 0.018 0.000 2.511 350 Y HA 0.202 -4.985 4.550 -16.227 0.000 0.356 350 Y C -2.082 173.897 175.900 0.132 0.000 1.002 350 Y CA -2.399 55.729 58.100 0.048 0.000 1.127 350 Y CB 0.905 39.386 38.460 0.035 0.000 1.137 350 Y HN 0.016 nan 8.280 nan 0.000 0.652 351 P HA -0.055 nan 4.420 nan 0.000 0.222 351 P C 0.244 177.659 177.300 0.192 0.000 1.153 351 P CA 0.933 64.073 63.100 0.067 0.000 0.798 351 P CB 0.868 32.560 31.700 -0.013 0.000 0.796 352 V N 2.031 122.030 119.914 0.143 0.000 2.350 352 V HA 0.256 -5.360 4.120 -16.227 0.000 0.276 352 V C 0.279 176.378 176.094 0.009 0.000 1.028 352 V CA -0.475 61.864 62.300 0.066 0.000 0.860 352 V CB 1.247 33.070 31.823 0.000 0.000 0.990 352 V HN -0.090 nan 8.190 nan 0.000 0.453 353 L N 6.647 127.870 121.223 0.000 0.000 2.341 353 L HA 0.699 -4.698 4.340 -16.227 0.000 0.278 353 L C -0.761 176.092 176.870 -0.028 0.000 1.005 353 L CA -0.418 54.397 54.840 -0.042 0.000 0.818 353 L CB 1.816 43.846 42.059 -0.049 0.000 1.259 353 L HN 0.416 nan 8.230 nan 0.000 0.418 354 L N 2.136 123.188 121.223 -0.286 0.000 2.422 354 L HA 0.717 -4.680 4.340 -16.227 0.000 0.264 354 L C -0.341 175.959 176.870 -0.951 0.000 0.984 354 L CA -0.195 54.286 54.840 -0.598 0.000 0.819 354 L CB 2.304 44.071 42.059 -0.487 0.000 1.330 354 L HN 0.647 nan 8.230 nan 0.000 0.410 355 S N 0.600 115.341 115.700 -1.599 0.000 2.776 355 S HA 0.517 -4.749 4.470 -16.227 0.000 0.292 355 S C -1.269 172.877 174.600 -0.758 0.000 1.187 355 S CA -0.759 56.798 58.200 -1.072 0.000 0.834 355 S CB 1.493 64.175 63.200 -0.863 0.000 1.199 355 S HN 0.704 nan 8.310 nan 0.000 0.514 356 N N 0.747 119.177 118.700 -0.451 0.000 2.453 356 N HA 0.552 -4.444 4.740 -16.227 0.000 0.253 356 N C 0.514 176.000 175.510 -0.040 0.000 1.252 356 N CA 0.821 53.736 53.050 -0.225 0.000 0.917 356 N CB 0.389 38.748 38.487 -0.213 0.000 1.117 356 N HN 1.077 nan 8.380 nan 0.000 0.442 357 G N 0.428 109.243 108.800 0.025 0.000 2.660 357 G HA2 -0.192 -5.968 3.960 -16.227 0.000 0.215 357 G HA3 -0.192 -5.968 3.960 -16.227 0.000 0.215 357 G C -1.530 173.485 174.900 0.190 0.000 1.345 357 G CA -0.754 44.408 45.100 0.103 0.000 0.877 357 G HN 0.609 nan 8.290 nan 0.000 0.549 358 D N 0.767 121.259 120.400 0.153 0.000 2.304 358 D HA 0.360 -4.736 4.640 -16.227 0.000 0.250 358 D C 0.574 176.913 176.300 0.066 0.000 1.107 358 D CA -0.081 53.987 54.000 0.114 0.000 0.885 358 D CB 1.600 42.431 40.800 0.051 0.000 1.192 358 D HN 0.590 nan 8.370 nan 0.000 0.436 359 K N 1.493 121.848 120.400 -0.075 0.000 2.338 359 K HA 0.130 -5.286 4.320 -16.227 0.000 0.290 359 K C 0.924 177.358 176.600 -0.275 0.000 1.069 359 K CA -0.288 55.691 56.287 -0.514 0.000 0.941 359 K CB 0.441 32.603 32.500 -0.562 0.000 1.023 359 K HN 0.296 nan 8.250 nan 0.000 0.477 360 V N 0.507 120.272 119.914 -0.248 0.000 3.621 360 V HA 0.284 -5.333 4.120 -16.227 0.000 0.263 360 V C -0.032 176.011 176.094 -0.085 0.000 1.272 360 V CA -0.115 62.117 62.300 -0.112 0.000 1.080 360 V CB -0.212 31.578 31.823 -0.054 0.000 0.816 360 V HN 0.699 nan 8.190 nan 0.000 0.451 361 N N 0.057 118.690 118.700 -0.110 0.000 2.405 361 N HA 0.433 -4.563 4.740 -16.227 0.000 0.274 361 N C -1.704 173.798 175.510 -0.014 0.000 1.170 361 N CA -0.372 52.675 53.050 -0.006 0.000 0.848 361 N CB 2.522 41.059 38.487 0.083 0.000 1.629 361 N HN 0.446 nan 8.380 nan 0.000 0.481 362 E N 1.355 121.582 120.200 0.045 0.000 2.256 362 E HA 0.543 -4.843 4.350 -16.227 0.000 0.268 362 E C -1.336 175.335 176.600 0.118 0.000 0.877 362 E CA -0.692 55.687 56.400 -0.034 0.000 0.757 362 E CB 1.815 31.479 29.700 -0.060 0.000 1.183 362 E HN 0.467 nan 8.360 nan 0.000 0.418 363 F N -0.853 119.092 119.950 -0.009 0.000 2.631 363 F HA 0.537 -4.672 4.527 -16.227 0.000 0.308 363 F C -0.389 175.442 175.800 0.052 0.000 1.097 363 F CA -1.259 56.748 58.000 0.012 0.000 0.952 363 F CB 1.023 40.019 39.000 -0.007 0.000 1.307 363 F HN 0.056 nan 8.300 nan 0.000 0.450 364 E N 2.432 122.760 120.200 0.214 0.000 2.343 364 E HA 0.534 -4.852 4.350 -16.227 0.000 0.269 364 E C -0.701 176.033 176.600 0.224 0.000 1.047 364 E CA -0.312 56.181 56.400 0.154 0.000 0.874 364 E CB 2.269 32.032 29.700 0.105 0.000 1.033 364 E HN 0.672 nan 8.360 nan 0.000 0.409 365 I N 2.645 123.313 120.570 0.164 0.000 2.545 365 I HA 0.236 -5.330 4.170 -16.227 0.000 0.292 365 I C -2.330 173.850 176.117 0.106 0.000 1.040 365 I CA -2.449 58.949 61.300 0.163 0.000 1.068 365 I CB 2.102 40.203 38.000 0.169 0.000 1.251 365 I HN 0.114 nan 8.210 nan 0.000 0.424 366 P HA 0.074 nan 4.420 nan 0.000 0.266 366 P C 0.646 177.987 177.300 0.068 0.000 1.193 366 P CA 0.656 63.796 63.100 0.067 0.000 0.770 366 P CB 0.447 32.182 31.700 0.059 0.000 0.836 367 G N 1.628 110.461 108.800 0.055 0.000 2.132 367 G HA2 0.008 -5.768 3.960 -16.227 0.000 0.228 367 G HA3 0.008 -5.768 3.960 -16.227 0.000 0.228 367 G C 0.743 175.674 174.900 0.052 0.000 1.000 367 G CA 0.249 45.382 45.100 0.055 0.000 0.693 367 G HN 1.067 nan 8.290 nan 0.000 0.515 368 G N -1.475 107.351 108.800 0.042 0.000 2.143 368 G HA2 -0.237 -6.013 3.960 -16.227 0.000 0.248 368 G HA3 -0.237 -6.013 3.960 -16.227 0.000 0.248 368 G C 0.410 175.334 174.900 0.040 0.000 0.991 368 G CA 1.188 46.305 45.100 0.028 0.000 0.689 368 G HN 1.007 nan 8.290 nan 0.000 0.522 369 R N -0.519 120.022 120.500 0.069 0.000 2.691 369 R HA 0.780 -4.616 4.340 -16.227 0.000 0.259 369 R C 0.400 176.789 176.300 0.149 0.000 1.048 369 R CA -0.194 55.969 56.100 0.104 0.000 1.086 369 R CB 0.957 31.304 30.300 0.077 0.000 1.166 369 R HN 0.778 nan 8.270 nan 0.000 0.526 370 H N -2.630 116.387 119.070 -0.088 0.000 3.017 370 H HA 0.655 -4.525 4.556 -16.227 0.000 0.346 370 H C -1.141 173.963 175.328 -0.373 0.000 1.286 370 H CA -1.371 54.556 56.048 -0.201 0.000 1.120 370 H CB 1.826 31.489 29.762 -0.164 0.000 1.860 370 H HN 0.733 nan 8.280 nan 0.000 0.542 371 G N -0.265 107.926 108.800 -1.014 0.000 2.574 371 G HA2 0.698 -5.078 3.960 -16.227 0.000 0.299 371 G HA3 0.698 -5.078 3.960 -16.227 0.000 0.299 371 G C -1.595 172.612 174.900 -1.156 0.000 1.298 371 G CA -0.656 43.672 45.100 -1.286 0.000 0.952 371 G HN 0.904 nan 8.290 nan 0.000 0.477 372 A N 0.786 123.255 122.820 -0.585 0.000 2.422 372 A HA 0.825 -4.591 4.320 -16.227 0.000 0.302 372 A C -0.426 177.082 177.584 -0.127 0.000 1.041 372 A CA -0.724 51.107 52.037 -0.343 0.000 0.708 372 A CB 1.726 20.557 19.000 -0.281 0.000 1.257 372 A HN 0.748 nan 8.150 nan 0.000 0.414 373 R N 1.796 122.206 120.500 -0.149 0.000 2.393 373 R HA 0.691 -4.705 4.340 -16.227 0.000 0.310 373 R C -1.918 174.205 176.300 -0.295 0.000 0.968 373 R CA -0.347 55.732 56.100 -0.035 0.000 0.867 373 R CB 0.710 31.054 30.300 0.073 0.000 1.124 373 R HN 0.565 nan 8.270 nan 0.000 0.450 374 F N 2.627 122.602 119.950 0.042 0.000 2.493 374 F HA 0.335 -4.874 4.527 -16.227 0.000 0.329 374 F C 0.042 175.874 175.800 0.053 0.000 1.126 374 F CA -0.896 57.121 58.000 0.029 0.000 0.937 374 F CB 1.918 40.922 39.000 0.006 0.000 1.146 374 F HN 0.450 nan 8.300 nan 0.000 0.442 375 N N 1.808 120.619 118.700 0.184 0.000 2.392 375 N HA 0.243 -4.753 4.740 -16.227 0.000 0.283 375 N C -1.765 173.825 175.510 0.133 0.000 1.003 375 N CA -0.451 52.684 53.050 0.142 0.000 0.892 375 N CB 1.257 39.792 38.487 0.080 0.000 1.193 375 N HN 0.472 nan 8.380 nan 0.000 0.487 376 D N 4.135 124.619 120.400 0.140 0.000 2.434 376 D HA 0.408 -4.689 4.640 -16.227 0.000 0.275 376 D C -1.924 174.433 176.300 0.095 0.000 1.172 376 D CA -2.065 51.997 54.000 0.103 0.000 0.916 376 D CB 1.396 42.250 40.800 0.090 0.000 1.041 376 D HN 0.321 nan 8.370 nan 0.000 0.501 377 P HA -0.001 nan 4.420 nan 0.000 0.215 377 P C -2.083 175.239 177.300 0.036 0.000 1.153 377 P CA 0.485 63.612 63.100 0.046 0.000 0.853 377 P CB -0.720 30.996 31.700 0.027 0.000 0.788 378 P HA 0.013 nan 4.420 nan 0.000 0.268 378 P C 0.036 177.346 177.300 0.017 0.000 1.205 378 P CA 0.276 63.373 63.100 -0.004 0.000 0.771 378 P CB 0.176 31.851 31.700 -0.042 0.000 0.858 379 L N 3.131 124.363 121.223 0.015 0.000 2.485 379 L HA 0.188 -5.208 4.340 -16.227 0.000 0.275 379 L C 1.096 177.971 176.870 0.009 0.000 1.207 379 L CA 0.538 55.402 54.840 0.040 0.000 0.855 379 L CB -0.244 41.832 42.059 0.028 0.000 1.114 379 L HN 0.506 nan 8.230 nan 0.000 0.485 380 K N 3.160 123.583 120.400 0.040 0.000 2.532 380 K HA 0.626 -4.790 4.320 -16.227 0.000 0.265 380 K C -3.018 173.562 176.600 -0.033 0.000 0.948 380 K CA -1.841 54.405 56.287 -0.068 0.000 0.842 380 K CB 2.220 34.603 32.500 -0.194 0.000 1.392 380 K HN 0.116 nan 8.250 nan 0.000 0.436 381 P HA 0.028 nan 4.420 nan 0.000 0.274 381 P C 0.997 178.160 177.300 -0.228 0.000 1.237 381 P CA -0.586 62.475 63.100 -0.064 0.000 0.793 381 P CB 0.879 32.563 31.700 -0.026 0.000 0.977 382 C N 0.404 119.601 119.300 -0.172 0.000 2.432 382 C HA -0.096 -5.372 4.460 -16.227 0.000 0.282 382 C C 2.619 177.419 174.990 -0.316 0.000 1.388 382 C CA 0.379 59.043 59.018 -0.590 0.000 1.777 382 C CB -2.584 24.458 27.740 -1.163 0.000 1.882 382 C HN 0.649 nan 8.230 nan 0.000 0.520 383 Y N 0.920 121.197 120.300 -0.038 0.000 2.497 383 Y HA 0.255 -4.932 4.550 -16.228 0.000 0.292 383 Y C 1.808 177.730 175.900 0.037 0.000 1.137 383 Y CA 0.716 58.878 58.100 0.105 0.000 1.285 383 Y CB -0.686 37.964 38.460 0.316 0.000 0.991 383 Y HN 0.261 nan 8.280 nan 0.000 0.556 384 L N -0.100 120.783 121.223 -0.567 0.000 2.592 384 L HA 0.132 -5.264 4.340 -16.227 0.000 0.227 384 L C 0.352 177.022 176.870 -0.333 0.000 1.127 384 L CA -0.438 54.112 54.840 -0.483 0.000 0.884 384 L CB -0.214 41.480 42.059 -0.610 0.000 1.065 384 L HN 0.224 nan 8.230 nan 0.000 0.457 385 F N 1.809 121.479 119.950 -0.467 0.000 2.529 385 F HA 0.418 -4.792 4.527 -16.228 0.000 0.365 385 F C 0.340 176.025 175.800 -0.191 0.000 1.102 385 F CA -0.551 57.196 58.000 -0.421 0.000 1.271 385 F CB 0.434 39.162 39.000 -0.453 0.000 1.120 385 F HN -0.098 nan 8.300 nan 0.000 0.579 386 A N 5.571 127.669 122.820 -1.203 0.000 2.572 386 A HA 0.721 -4.695 4.320 -16.227 0.000 0.295 386 A C -1.842 175.063 177.584 -1.131 0.000 1.072 386 A CA -0.541 50.908 52.037 -0.980 0.000 0.691 386 A CB 1.602 20.330 19.000 -0.454 0.000 1.291 386 A HN 1.114 nan 8.150 nan 0.000 0.404 387 V N 1.379 120.856 119.914 -0.727 0.000 2.841 387 V HA 0.805 -4.811 4.120 -16.227 0.000 0.310 387 V C -1.496 174.387 176.094 -0.351 0.000 1.090 387 V CA -0.411 61.586 62.300 -0.505 0.000 0.930 387 V CB 2.078 33.718 31.823 -0.306 0.000 1.014 387 V HN 1.100 nan 8.190 nan 0.000 0.425 388 V N 4.837 124.548 119.914 -0.338 0.000 2.760 388 V HA 0.946 -4.671 4.120 -16.227 0.000 0.309 388 V C -0.159 175.792 176.094 -0.239 0.000 1.077 388 V CA -0.056 62.080 62.300 -0.273 0.000 0.910 388 V CB 1.669 33.323 31.823 -0.282 0.000 1.008 388 V HN 1.301 nan 8.190 nan 0.000 0.424 389 A N 2.768 125.479 122.820 -0.183 0.000 2.381 389 A HA 1.035 -4.381 4.320 -16.227 0.000 0.299 389 A C -0.115 177.540 177.584 0.119 0.000 1.049 389 A CA 0.116 52.091 52.037 -0.104 0.000 0.715 389 A CB 1.805 20.628 19.000 -0.296 0.000 1.222 389 A HN 1.659 nan 8.150 nan 0.000 0.428 390 G N 0.184 109.103 108.800 0.199 0.000 2.441 390 G HA2 0.447 -5.329 3.960 -16.227 0.000 0.294 390 G HA3 0.447 -5.329 3.960 -16.227 0.000 0.294 390 G C -1.830 173.134 174.900 0.106 0.000 1.393 390 G CA -0.475 44.756 45.100 0.220 0.000 0.796 390 G HN 0.532 nan 8.290 nan 0.000 0.494 391 D N 0.668 121.093 120.400 0.042 0.000 2.631 391 D HA 0.377 -4.719 4.640 -16.227 0.000 0.227 391 D C 0.282 176.625 176.300 0.072 0.000 1.146 391 D CA -0.069 53.949 54.000 0.029 0.000 1.009 391 D CB -0.383 40.401 40.800 -0.026 0.000 1.057 391 D HN 0.297 nan 8.370 nan 0.000 0.509 392 L N 2.684 123.979 121.223 0.119 0.000 2.325 392 L HA 0.399 -4.997 4.340 -16.227 0.000 0.279 392 L C 0.794 177.844 176.870 0.300 0.000 1.054 392 L CA -0.788 54.178 54.840 0.209 0.000 0.804 392 L CB 1.192 43.380 42.059 0.215 0.000 1.200 392 L HN -0.107 nan 8.230 nan 0.000 0.436 393 K N 2.272 122.827 120.400 0.258 0.000 2.166 393 K HA 0.555 -4.861 4.320 -16.227 0.000 0.245 393 K C -0.707 176.002 176.600 0.181 0.000 0.967 393 K CA -0.641 55.749 56.287 0.171 0.000 0.863 393 K CB 1.878 34.398 32.500 0.033 0.000 1.107 393 K HN 0.676 nan 8.250 nan 0.000 0.436 394 H N -0.496 118.564 119.070 -0.017 0.000 2.980 394 H HA 0.527 -4.654 4.556 -16.227 0.000 0.367 394 H C -1.088 174.126 175.328 -0.191 0.000 1.206 394 H CA -0.904 55.000 56.048 -0.240 0.000 1.126 394 H CB 1.082 30.510 29.762 -0.557 0.000 1.838 394 H HN 0.290 nan 8.280 nan 0.000 0.552 395 L N 1.103 122.247 121.223 -0.132 0.000 2.330 395 L HA 0.517 -4.880 4.340 -16.227 0.000 0.271 395 L C 0.202 176.952 176.870 -0.200 0.000 1.013 395 L CA -0.820 53.934 54.840 -0.142 0.000 0.816 395 L CB 2.007 43.988 42.059 -0.130 0.000 1.287 395 L HN 0.644 nan 8.230 nan 0.000 0.435 396 S N 0.670 116.223 115.700 -0.246 0.000 2.569 396 S HA 0.937 -4.329 4.470 -16.227 0.000 0.280 396 S C -1.255 173.159 174.600 -0.309 0.000 1.111 396 S CA -0.245 57.659 58.200 -0.494 0.000 0.887 396 S CB 1.994 64.729 63.200 -0.775 0.000 1.095 396 S HN 0.788 nan 8.310 nan 0.000 0.476 397 A N 1.757 124.397 122.820 -0.300 0.000 2.609 397 A HA 0.806 -4.610 4.320 -16.227 0.000 0.291 397 A C -0.998 176.527 177.584 -0.098 0.000 1.096 397 A CA -0.686 51.260 52.037 -0.153 0.000 0.684 397 A CB 1.514 20.455 19.000 -0.098 0.000 1.282 397 A HN 0.643 nan 8.150 nan 0.000 0.412 398 T N 0.946 115.481 114.554 -0.031 0.000 2.797 398 T HA 0.553 -4.834 4.350 -16.227 0.000 0.279 398 T C -1.414 173.327 174.700 0.069 0.000 0.991 398 T CA 0.092 62.206 62.100 0.023 0.000 0.979 398 T CB 0.692 69.567 68.868 0.013 0.000 0.943 398 T HN 0.489 nan 8.240 nan 0.000 0.444 399 Y N 3.192 123.478 120.300 -0.023 0.000 2.364 399 Y HA 0.630 -4.556 4.550 -16.227 0.000 0.340 399 Y C -0.862 175.049 175.900 0.017 0.000 0.975 399 Y CA -1.196 56.892 58.100 -0.019 0.000 1.089 399 Y CB 0.788 39.220 38.460 -0.046 0.000 1.192 399 Y HN 0.562 nan 8.280 nan 0.000 0.454 400 I N 6.124 126.488 120.570 -0.343 0.000 2.321 400 I HA 0.233 -5.334 4.170 -16.227 0.000 0.291 400 I C 0.264 176.253 176.117 -0.213 0.000 0.998 400 I CA -0.800 60.397 61.300 -0.172 0.000 1.227 400 I CB 1.550 39.458 38.000 -0.154 0.000 1.368 400 I HN 0.674 nan 8.210 nan 0.000 0.466 401 T N 1.675 116.274 114.554 0.076 0.000 2.856 401 T HA 0.080 -5.307 4.350 -16.227 0.000 0.306 401 T C 0.981 175.694 174.700 0.023 0.000 1.062 401 T CA -0.407 61.800 62.100 0.179 0.000 1.083 401 T CB 1.471 70.500 68.868 0.268 0.000 0.984 401 T HN 0.700 nan 8.240 nan 0.000 0.542 402 K N 0.410 120.801 120.400 -0.015 0.000 2.057 402 K HA -0.076 -5.493 4.320 -16.227 0.000 0.206 402 K C 1.138 177.506 176.600 -0.386 0.000 1.050 402 K CA 1.372 57.479 56.287 -0.300 0.000 0.935 402 K CB -0.112 32.065 32.500 -0.538 0.000 0.715 402 K HN 0.788 nan 8.250 nan 0.000 0.439 403 Y N -1.063 119.284 120.300 0.077 0.000 2.576 403 Y HA 0.014 -5.172 4.550 -16.227 0.000 0.282 403 Y C 2.510 178.444 175.900 0.057 0.000 1.139 403 Y CA 0.932 59.067 58.100 0.059 0.000 1.265 403 Y CB -0.420 38.077 38.460 0.061 0.000 1.376 403 Y HN 0.111 nan 8.280 nan 0.000 0.511 404 T N -2.243 112.452 114.554 0.235 0.000 3.035 404 T HA -0.023 -5.409 4.350 -16.227 0.000 0.268 404 T C 0.741 175.506 174.700 0.107 0.000 1.109 404 T CA 0.591 62.783 62.100 0.154 0.000 1.119 404 T CB -0.246 68.712 68.868 0.150 0.000 0.900 404 T HN 0.112 nan 8.240 nan 0.000 0.503 405 K N 0.435 120.889 120.400 0.090 0.000 3.160 405 K HA -0.158 -5.574 4.320 -16.227 0.000 0.280 405 K C 0.021 176.658 176.600 0.063 0.000 1.154 405 K CA 0.638 56.955 56.287 0.049 0.000 0.822 405 K CB -1.845 30.673 32.500 0.031 0.000 1.239 405 K HN 0.686 nan 8.250 nan 0.000 0.489 406 K N 2.001 122.461 120.400 0.101 0.000 2.322 406 K HA 0.097 -5.319 4.320 -16.227 0.000 0.283 406 K C -0.084 176.591 176.600 0.124 0.000 1.042 406 K CA -0.114 56.242 56.287 0.114 0.000 0.958 406 K CB 0.582 33.166 32.500 0.141 0.000 0.984 406 K HN -0.021 nan 8.250 nan 0.000 0.473 407 K N 3.169 123.631 120.400 0.104 0.000 2.349 407 K HA 0.141 -5.276 4.320 -16.227 0.000 0.288 407 K C -0.891 175.804 176.600 0.158 0.000 1.058 407 K CA -0.402 55.950 56.287 0.108 0.000 0.953 407 K CB 1.165 33.711 32.500 0.077 0.000 0.997 407 K HN 0.307 nan 8.250 nan 0.000 0.477 408 V N 3.947 123.980 119.914 0.198 0.000 2.417 408 V HA 0.148 -5.469 4.120 -16.227 0.000 0.291 408 V C -0.209 175.991 176.094 0.176 0.000 1.024 408 V CA -0.907 61.533 62.300 0.234 0.000 0.861 408 V CB 1.498 33.502 31.823 0.301 0.000 0.985 408 V HN 0.700 nan 8.190 nan 0.000 0.436 409 E N 5.074 125.387 120.200 0.188 0.000 2.223 409 E HA 0.465 -4.922 4.350 -16.227 0.000 0.282 409 E C -1.043 175.663 176.600 0.176 0.000 1.046 409 E CA -0.222 56.292 56.400 0.191 0.000 0.857 409 E CB 1.104 30.998 29.700 0.324 0.000 1.055 409 E HN 0.511 nan 8.360 nan 0.000 0.409 410 L N 4.188 125.427 121.223 0.026 0.000 2.287 410 L HA 0.435 -4.961 4.340 -16.227 0.000 0.287 410 L C -0.860 175.917 176.870 -0.155 0.000 1.022 410 L CA -0.791 54.029 54.840 -0.033 0.000 0.814 410 L CB 0.405 42.393 42.059 -0.119 0.000 1.217 410 L HN 0.529 nan 8.230 nan 0.000 0.420 411 Y N 2.280 122.515 120.300 -0.108 0.000 2.376 411 Y HA 0.553 -4.634 4.550 -16.228 0.000 0.340 411 Y C -0.053 175.687 175.900 -0.267 0.000 0.965 411 Y CA -1.017 56.933 58.100 -0.249 0.000 1.078 411 Y CB 2.450 40.744 38.460 -0.277 0.000 1.193 411 Y HN 0.318 nan 8.280 nan 0.000 0.452 412 V N 0.751 120.506 119.914 -0.265 0.000 2.540 412 V HA 0.675 -4.941 4.120 -16.227 0.000 0.302 412 V C -1.171 174.762 176.094 -0.268 0.000 1.035 412 V CA -1.044 61.144 62.300 -0.186 0.000 0.873 412 V CB 1.245 32.964 31.823 -0.175 0.000 0.992 412 V HN 0.536 nan 8.190 nan 0.000 0.428 413 F N 2.995 122.980 119.950 0.058 0.000 2.546 413 F HA 0.903 -4.307 4.527 -16.228 0.000 0.320 413 F C 0.586 176.414 175.800 0.046 0.000 1.076 413 F CA 0.070 58.123 58.000 0.087 0.000 0.928 413 F CB 2.449 41.498 39.000 0.081 0.000 1.189 413 F HN 0.959 nan 8.300 nan 0.000 0.465 414 S N 0.061 115.918 115.700 0.262 0.000 2.672 414 S HA 0.467 -4.799 4.470 -16.227 0.000 0.271 414 S C -1.210 173.493 174.600 0.173 0.000 1.171 414 S CA -1.252 57.059 58.200 0.185 0.000 0.817 414 S CB 1.343 64.631 63.200 0.147 0.000 1.150 414 S HN 0.683 nan 8.310 nan 0.000 0.478 415 E N 0.354 120.647 120.200 0.154 0.000 2.418 415 E HA 0.166 -5.220 4.350 -16.227 0.000 0.261 415 E C 0.788 177.419 176.600 0.052 0.000 1.070 415 E CA -0.316 56.145 56.400 0.101 0.000 0.931 415 E CB 0.413 30.171 29.700 0.097 0.000 0.954 415 E HN 0.774 nan 8.360 nan 0.000 0.439 416 E N 1.952 122.153 120.200 0.002 0.000 2.097 416 E HA -0.322 -5.708 4.350 -16.227 0.000 0.196 416 E C 1.879 178.418 176.600 -0.102 0.000 1.000 416 E CA 1.779 58.157 56.400 -0.036 0.000 0.804 416 E CB 0.019 29.692 29.700 -0.045 0.000 0.740 416 E HN 0.630 nan 8.360 nan 0.000 0.454 417 K N -0.667 119.600 120.400 -0.221 0.000 2.113 417 K HA -0.189 -5.605 4.320 -16.227 0.000 0.208 417 K C 0.815 177.152 176.600 -0.440 0.000 1.047 417 K CA 1.548 57.572 56.287 -0.439 0.000 0.928 417 K CB -0.037 32.000 32.500 -0.772 0.000 0.716 417 K HN 0.243 nan 8.250 nan 0.000 0.446 418 Y N -1.170 119.132 120.300 0.003 0.000 2.584 418 Y HA 0.095 -5.091 4.550 -16.227 0.000 0.254 418 Y C 1.273 177.168 175.900 -0.009 0.000 1.177 418 Y CA -0.580 57.520 58.100 -0.001 0.000 1.216 418 Y CB 0.229 38.692 38.460 0.005 0.000 1.172 418 Y HN -0.162 nan 8.280 nan 0.000 0.529 419 V N 0.442 120.405 119.914 0.082 0.000 2.469 419 V HA -0.279 -5.896 4.120 -16.227 0.000 0.251 419 V C 2.171 178.276 176.094 0.019 0.000 1.064 419 V CA 2.624 64.946 62.300 0.038 0.000 1.066 419 V CB -0.472 31.347 31.823 -0.007 0.000 0.667 419 V HN 0.623 nan 8.190 nan 0.000 0.461 420 S N -0.695 115.020 115.700 0.026 0.000 2.442 420 S HA -0.188 -5.454 4.470 -16.227 0.000 0.236 420 S C 1.746 176.364 174.600 0.030 0.000 1.007 420 S CA 1.291 59.502 58.200 0.018 0.000 0.965 420 S CB -0.531 62.680 63.200 0.018 0.000 0.773 420 S HN 0.725 nan 8.310 nan 0.000 0.504 421 K N 0.562 120.993 120.400 0.051 0.000 2.505 421 K HA 0.316 -5.100 4.320 -16.227 0.000 0.192 421 K C 1.014 177.616 176.600 0.002 0.000 1.025 421 K CA 0.086 56.391 56.287 0.030 0.000 1.086 421 K CB -0.174 32.346 32.500 0.032 0.000 0.840 421 K HN 0.396 nan 8.250 nan 0.000 0.514 422 L N 0.215 121.435 121.223 -0.004 0.000 2.567 422 L HA -0.019 -5.416 4.340 -16.227 0.000 0.225 422 L C 2.250 179.096 176.870 -0.039 0.000 1.119 422 L CA 0.164 54.977 54.840 -0.044 0.000 0.871 422 L CB 0.103 42.127 42.059 -0.059 0.000 1.036 422 L HN 0.106 nan 8.230 nan 0.000 0.459 423 Q N 0.318 120.127 119.800 0.015 0.000 2.084 423 Q HA -0.261 -5.657 4.340 -16.227 0.000 0.202 423 Q C 2.006 178.069 176.000 0.105 0.000 0.978 423 Q CA 1.930 57.758 55.803 0.041 0.000 0.844 423 Q CB -0.356 28.422 28.738 0.066 0.000 0.898 423 Q HN 0.573 nan 8.270 nan 0.000 0.426 424 W N 0.226 121.496 121.300 -0.050 0.000 2.358 424 W HA -0.224 -5.300 4.660 -16.227 0.000 0.303 424 W C 1.737 178.211 176.519 -0.074 0.000 1.208 424 W CA 1.512 58.841 57.345 -0.026 0.000 1.274 424 W CB -0.226 29.232 29.460 -0.005 0.000 1.138 424 W HN 0.297 nan 8.180 nan 0.000 0.515 425 A N 0.952 123.635 122.820 -0.228 0.000 1.908 425 A HA -0.274 -5.690 4.320 -16.227 0.000 0.218 425 A C 1.903 179.269 177.584 -0.364 0.000 1.181 425 A CA 1.892 53.697 52.037 -0.387 0.000 0.627 425 A CB -1.213 17.579 19.000 -0.347 0.000 0.818 425 A HN 0.361 nan 8.150 nan 0.000 0.445 426 L N -0.056 121.018 121.223 -0.248 0.000 2.017 426 L HA -0.153 -5.549 4.340 -16.227 0.000 0.208 426 L C 2.321 179.055 176.870 -0.226 0.000 1.073 426 L CA 2.246 56.958 54.840 -0.214 0.000 0.745 426 L CB -0.676 41.295 42.059 -0.147 0.000 0.894 426 L HN 0.397 nan 8.230 nan 0.000 0.432 427 E N -0.892 119.177 120.200 -0.219 0.000 2.077 427 E HA -0.224 -5.610 4.350 -16.227 0.000 0.193 427 E C 2.363 178.747 176.600 -0.361 0.000 0.989 427 E CA 1.652 57.922 56.400 -0.217 0.000 0.800 427 E CB -0.907 28.732 29.700 -0.101 0.000 0.746 427 E HN 0.560 nan 8.360 nan 0.000 0.452 428 C N 0.863 119.791 119.300 -0.621 0.000 2.413 428 C HA -0.124 -5.400 4.460 -16.227 0.000 0.276 428 C C 2.757 177.543 174.990 -0.339 0.000 1.248 428 C CA 0.394 59.096 59.018 -0.528 0.000 1.742 428 C CB -1.081 26.256 27.740 -0.671 0.000 2.017 428 C HN 0.341 nan 8.230 nan 0.000 0.481 429 L N 1.504 122.500 121.223 -0.378 0.000 2.017 429 L HA -0.137 -5.533 4.340 -16.227 0.000 0.208 429 L C 2.426 178.994 176.870 -0.504 0.000 1.073 429 L CA 1.889 56.465 54.840 -0.440 0.000 0.745 429 L CB -0.740 41.093 42.059 -0.377 0.000 0.894 429 L HN 0.292 nan 8.230 nan 0.000 0.432 430 K N -0.539 119.656 120.400 -0.341 0.000 2.063 430 K HA -0.215 -5.631 4.320 -16.227 0.000 0.208 430 K C 2.110 178.611 176.600 -0.165 0.000 1.048 430 K CA 1.813 57.952 56.287 -0.247 0.000 0.928 430 K CB -0.215 32.276 32.500 -0.015 0.000 0.713 430 K HN 0.323 nan 8.250 nan 0.000 0.442 431 K N 0.488 120.840 120.400 -0.080 0.000 2.057 431 K HA -0.078 -5.495 4.320 -16.227 0.000 0.207 431 K C 2.326 179.016 176.600 0.150 0.000 1.049 431 K CA 1.500 57.862 56.287 0.126 0.000 0.931 431 K CB -0.029 32.598 32.500 0.213 0.000 0.714 431 K HN 0.015 nan 8.250 nan 0.000 0.440 432 S N 1.136 116.674 115.700 -0.269 0.000 2.355 432 S HA -0.106 -5.372 4.470 -16.227 0.000 0.222 432 S C 1.954 176.295 174.600 -0.431 0.000 1.031 432 S CA 1.298 59.065 58.200 -0.722 0.000 0.993 432 S CB -0.129 62.418 63.200 -1.087 0.000 0.859 432 S HN 0.233 nan 8.310 nan 0.000 0.453 433 M N 1.326 120.470 119.600 -0.761 0.000 2.086 433 M HA -0.110 -5.366 4.480 -16.227 0.000 0.261 433 M C 2.557 178.823 176.300 -0.057 0.000 1.067 433 M CA 1.538 56.460 55.300 -0.630 0.000 1.116 433 M CB -0.658 31.244 32.600 -1.163 0.000 1.348 433 M HN 0.397 nan 8.290 nan 0.000 0.407 434 A N 0.138 122.981 122.820 0.039 0.000 1.883 434 A HA -0.207 -5.623 4.320 -16.227 0.000 0.217 434 A C 2.032 179.791 177.584 0.292 0.000 1.186 434 A CA 1.558 53.747 52.037 0.254 0.000 0.624 434 A CB -1.046 18.116 19.000 0.270 0.000 0.822 434 A HN 0.514 nan 8.150 nan 0.000 0.444 435 F N 0.842 120.932 119.950 0.234 0.000 2.134 435 F HA -0.165 -5.378 4.527 -16.233 0.000 0.299 435 F C 1.889 177.874 175.800 0.310 0.000 1.097 435 F CA 2.069 60.249 58.000 0.301 0.000 1.264 435 F CB -0.205 39.080 39.000 0.474 0.000 1.001 435 F HN 0.251 nan 8.300 nan 0.000 0.479 436 D N 0.247 120.920 120.400 0.455 0.000 2.144 436 D HA -0.159 -5.255 4.640 -16.227 0.000 0.199 436 D C 2.120 178.575 176.300 0.258 0.000 0.984 436 D CA 1.310 55.556 54.000 0.410 0.000 0.834 436 D CB -0.126 41.056 40.800 0.638 0.000 0.955 436 D HN 0.487 nan 8.370 nan 0.000 0.465 437 E N -0.004 120.348 120.200 0.253 0.000 2.047 437 E HA -0.143 -5.530 4.350 -16.227 0.000 0.191 437 E C 1.535 178.219 176.600 0.141 0.000 0.987 437 E CA 1.042 57.581 56.400 0.232 0.000 0.799 437 E CB 0.082 29.916 29.700 0.223 0.000 0.752 437 E HN 0.296 nan 8.360 nan 0.000 0.449 438 D N -0.362 120.062 120.400 0.041 0.000 2.120 438 D HA -0.121 -5.217 4.640 -16.227 0.000 0.202 438 D C 1.690 177.882 176.300 -0.179 0.000 0.972 438 D CA 0.920 54.898 54.000 -0.037 0.000 0.837 438 D CB -0.281 40.514 40.800 -0.009 0.000 0.989 438 D HN 0.162 nan 8.370 nan 0.000 0.469 439 Y N -0.685 119.280 120.300 -0.558 0.000 2.231 439 Y HA -0.037 -5.228 4.550 -16.235 0.000 0.294 439 Y C 1.512 176.970 175.900 -0.735 0.000 1.120 439 Y CA 1.241 58.846 58.100 -0.825 0.000 1.141 439 Y CB 0.073 37.612 38.460 -1.535 0.000 1.022 439 Y HN -0.182 nan 8.280 nan 0.000 0.523 440 F N -0.796 119.077 119.950 -0.129 0.000 2.704 440 F HA 0.330 -4.886 4.527 -16.237 0.000 0.304 440 F C 1.725 177.488 175.800 -0.060 0.000 1.094 440 F CA 0.519 58.456 58.000 -0.104 0.000 1.275 440 F CB 0.300 39.217 39.000 -0.138 0.000 1.073 440 F HN 0.055 nan 8.300 nan 0.000 0.586 441 G N 1.601 110.478 108.800 0.129 0.000 2.198 441 G HA2 -0.297 -6.073 3.960 -16.227 0.000 0.260 441 G HA3 -0.297 -6.073 3.960 -16.227 0.000 0.260 441 G C -0.096 174.887 174.900 0.138 0.000 1.025 441 G CA -0.052 45.138 45.100 0.149 0.000 0.769 441 G HN 0.285 nan 8.290 nan 0.000 0.507 442 L N 0.208 121.509 121.223 0.129 0.000 2.287 442 L HA 0.557 -4.839 4.340 -16.227 0.000 0.287 442 L C 0.354 177.378 176.870 0.256 0.000 1.022 442 L CA -0.707 54.121 54.840 -0.021 0.000 0.814 442 L CB 1.343 43.096 42.059 -0.510 0.000 1.217 442 L HN 0.201 nan 8.230 nan 0.000 0.420 443 E N 1.661 122.088 120.200 0.378 0.000 2.202 443 E HA 0.264 -5.122 4.350 -16.227 0.000 0.272 443 E C -1.246 175.680 176.600 0.543 0.000 0.951 443 E CA -0.893 55.782 56.400 0.458 0.000 0.813 443 E CB 2.069 32.004 29.700 0.390 0.000 1.151 443 E HN 0.304 nan 8.360 nan 0.000 0.398 444 Y N 3.076 123.601 120.300 0.375 0.000 2.511 444 Y HA -0.056 -5.243 4.550 -16.229 0.000 0.332 444 Y C 0.934 176.947 175.900 0.188 0.000 1.177 444 Y CA 0.228 58.496 58.100 0.280 0.000 1.422 444 Y CB 0.610 39.244 38.460 0.290 0.000 1.271 444 Y HN 0.563 nan 8.280 nan 0.000 0.550 445 D N 3.959 124.130 120.400 -0.381 0.000 2.379 445 D HA 0.062 -5.034 4.640 -16.227 0.000 0.208 445 D C -0.174 175.943 176.300 -0.305 0.000 1.065 445 D CA 0.366 54.213 54.000 -0.255 0.000 0.848 445 D CB 0.129 40.781 40.800 -0.248 0.000 0.949 445 D HN 0.387 nan 8.370 nan 0.000 0.509 446 L N 0.016 120.889 121.223 -0.583 0.000 2.303 446 L HA 0.333 -5.063 4.340 -16.227 0.000 0.266 446 L C 1.190 178.104 176.870 0.073 0.000 1.011 446 L CA -0.860 53.816 54.840 -0.275 0.000 0.818 446 L CB 1.942 43.797 42.059 -0.340 0.000 1.326 446 L HN -0.287 nan 8.230 nan 0.000 0.435 447 S N -0.574 115.198 115.700 0.120 0.000 2.428 447 S HA 0.023 -5.244 4.470 -16.227 0.000 0.230 447 S C 0.512 175.259 174.600 0.245 0.000 1.014 447 S CA 0.789 59.091 58.200 0.171 0.000 0.957 447 S CB -0.054 63.215 63.200 0.115 0.000 0.784 447 S HN 0.509 nan 8.310 nan 0.000 0.499 448 R N -0.148 120.530 120.500 0.298 0.000 2.668 448 R HA 0.579 -4.817 4.340 -16.227 0.000 0.272 448 R C -2.141 174.356 176.300 0.329 0.000 1.019 448 R CA -0.553 55.716 56.100 0.282 0.000 0.894 448 R CB 1.126 31.543 30.300 0.195 0.000 1.228 448 R HN 0.155 nan 8.270 nan 0.000 0.460 449 L N 3.889 125.228 121.223 0.193 0.000 2.376 449 L HA 0.546 -4.850 4.340 -16.227 0.000 0.275 449 L C -1.316 175.638 176.870 0.139 0.000 0.987 449 L CA -0.815 54.086 54.840 0.102 0.000 0.828 449 L CB 1.870 43.800 42.059 -0.215 0.000 1.249 449 L HN 0.730 nan 8.230 nan 0.000 0.409 450 N N 6.360 125.160 118.700 0.167 0.000 2.400 450 N HA 0.535 -4.462 4.740 -16.227 0.000 0.288 450 N C -1.156 174.485 175.510 0.218 0.000 1.024 450 N CA -0.446 52.752 53.050 0.246 0.000 0.894 450 N CB 2.509 41.144 38.487 0.247 0.000 1.173 450 N HN 0.456 nan 8.380 nan 0.000 0.487 451 L N 1.503 122.867 121.223 0.236 0.000 2.341 451 L HA 0.627 -4.769 4.340 -16.227 0.000 0.278 451 L C -0.500 176.522 176.870 0.254 0.000 1.005 451 L CA -1.050 53.926 54.840 0.227 0.000 0.818 451 L CB 1.892 43.932 42.059 -0.033 0.000 1.259 451 L HN 0.048 nan 8.230 nan 0.000 0.418 452 V N 1.906 121.981 119.914 0.269 0.000 2.577 452 V HA 0.599 -5.017 4.120 -16.227 0.000 0.303 452 V C 0.115 176.295 176.094 0.144 0.000 1.042 452 V CA -0.599 61.822 62.300 0.201 0.000 0.872 452 V CB 1.822 33.692 31.823 0.078 0.000 0.998 452 V HN 0.871 nan 8.190 nan 0.000 0.423 453 A N 4.797 127.672 122.820 0.091 0.000 2.301 453 A HA 0.851 -4.565 4.320 -16.227 0.000 0.298 453 A C -0.241 177.373 177.584 0.050 0.000 1.185 453 A CA -0.394 51.672 52.037 0.048 0.000 0.830 453 A CB 1.025 20.035 19.000 0.016 0.000 1.112 453 A HN 1.465 nan 8.150 nan 0.000 0.508 454 V N 0.494 120.422 119.914 0.022 0.000 2.914 454 V HA 0.613 -5.004 4.120 -16.227 0.000 0.314 454 V C 0.624 176.789 176.094 0.118 0.000 1.084 454 V CA -0.164 62.181 62.300 0.075 0.000 0.963 454 V CB 1.451 33.327 31.823 0.088 0.000 1.025 454 V HN 0.720 nan 8.190 nan 0.000 0.432 455 S N 1.243 117.035 115.700 0.153 0.000 2.414 455 S HA 0.066 -5.200 4.470 -16.227 0.000 0.227 455 S C 0.150 174.874 174.600 0.206 0.000 1.022 455 S CA 1.147 59.439 58.200 0.154 0.000 0.958 455 S CB -0.247 63.042 63.200 0.148 0.000 0.797 455 S HN 0.984 nan 8.310 nan 0.000 0.493 456 D N 0.104 120.675 120.400 0.285 0.000 2.441 456 D HA 0.561 -4.536 4.640 -16.227 0.000 0.231 456 D C -1.129 175.454 176.300 0.471 0.000 1.073 456 D CA -0.139 54.056 54.000 0.325 0.000 0.850 456 D CB 0.901 41.897 40.800 0.326 0.000 1.062 456 D HN 0.049 nan 8.370 nan 0.000 0.524 457 F N 1.974 122.009 119.950 0.143 0.000 2.604 457 F HA 0.279 -4.932 4.527 -16.229 0.000 0.316 457 F C 0.347 176.171 175.800 0.040 0.000 1.136 457 F CA -0.839 57.232 58.000 0.119 0.000 0.989 457 F CB 1.778 40.855 39.000 0.129 0.000 1.258 457 F HN 0.059 nan 8.300 nan 0.000 0.451 458 N N 1.825 120.285 118.700 -0.401 0.000 2.270 458 N HA -0.024 -5.020 4.740 -16.227 0.000 0.181 458 N C 0.521 175.937 175.510 -0.158 0.000 1.016 458 N CA 1.664 54.552 53.050 -0.269 0.000 0.870 458 N CB 0.187 38.458 38.487 -0.361 0.000 0.979 458 N HN 0.414 nan 8.380 nan 0.000 0.431 459 V N -4.149 115.680 119.914 -0.142 0.000 3.998 459 V HA 0.764 -4.852 4.120 -16.227 0.000 0.297 459 V C 1.490 177.763 176.094 0.299 0.000 1.378 459 V CA -0.110 62.213 62.300 0.039 0.000 0.949 459 V CB 0.567 32.357 31.823 -0.055 0.000 1.258 459 V HN -0.047 nan 8.190 nan 0.000 0.471 460 G N -0.601 108.335 108.800 0.226 0.000 2.437 460 G HA2 0.635 -5.141 3.960 -16.227 0.000 0.212 460 G HA3 0.635 -5.141 3.960 -16.227 0.000 0.212 460 G C 0.354 175.338 174.900 0.140 0.000 1.174 460 G CA 0.835 46.051 45.100 0.194 0.000 0.811 460 G HN 1.690 nan 8.290 nan 0.000 0.537 461 A N -1.757 121.134 122.820 0.119 0.000 2.540 461 A HA 0.724 -4.693 4.320 -16.227 0.000 0.291 461 A C -1.812 175.782 177.584 0.017 0.000 1.083 461 A CA -0.472 51.437 52.037 -0.213 0.000 0.650 461 A CB 1.320 19.854 19.000 -0.776 0.000 1.292 461 A HN 0.485 nan 8.150 nan 0.000 0.435 462 M N 1.073 120.588 119.600 -0.142 0.000 2.324 462 M HA 0.440 -4.817 4.480 -16.227 0.000 0.288 462 M C -0.200 176.061 176.300 -0.064 0.000 1.097 462 M CA -0.303 55.019 55.300 0.037 0.000 0.928 462 M CB 2.007 34.740 32.600 0.221 0.000 1.648 462 M HN 0.729 nan 8.290 nan 0.000 0.460 463 E N 2.797 123.008 120.200 0.018 0.000 2.296 463 E HA 0.081 -5.305 4.350 -16.227 0.000 0.196 463 E C -0.989 175.598 176.600 -0.021 0.000 1.143 463 E CA -0.118 56.295 56.400 0.021 0.000 1.145 463 E CB -0.845 28.910 29.700 0.092 0.000 1.215 463 E HN 0.709 nan 8.360 nan 0.000 0.447 464 N N 2.194 120.863 118.700 -0.051 0.000 2.357 464 N HA -0.079 -5.075 4.740 -16.227 0.000 0.257 464 N C -0.024 175.423 175.510 -0.104 0.000 1.250 464 N CA 0.401 53.383 53.050 -0.113 0.000 0.862 464 N CB 0.628 39.025 38.487 -0.150 0.000 1.066 464 N HN 0.224 nan 8.380 nan 0.000 0.468 465 K N 1.090 121.403 120.400 -0.145 0.000 2.402 465 K HA -0.023 -5.439 4.320 -16.227 0.000 0.279 465 K C 1.081 177.650 176.600 -0.051 0.000 1.082 465 K CA 0.759 56.986 56.287 -0.101 0.000 1.080 465 K CB -0.359 32.047 32.500 -0.157 0.000 0.899 465 K HN 0.776 nan 8.250 nan 0.000 0.469 466 G N 3.112 111.947 108.800 0.058 0.000 2.189 466 G HA2 -0.266 -6.042 3.960 -16.227 0.000 0.267 466 G HA3 -0.266 -6.042 3.960 -16.227 0.000 0.267 466 G C -0.164 174.772 174.900 0.059 0.000 0.975 466 G CA 0.420 45.597 45.100 0.128 0.000 0.644 466 G HN 0.540 nan 8.290 nan 0.000 0.537 467 L N 1.175 122.393 121.223 -0.007 0.000 2.475 467 L HA 0.540 -4.856 4.340 -16.227 0.000 0.253 467 L C -0.554 176.300 176.870 -0.027 0.000 1.483 467 L CA -1.366 53.447 54.840 -0.044 0.000 0.869 467 L CB 0.337 42.290 42.059 -0.176 0.000 1.086 467 L HN 0.078 nan 8.230 nan 0.000 0.514 468 N N 3.096 121.833 118.700 0.062 0.000 2.497 468 N HA 0.443 -4.554 4.740 -16.227 0.000 0.271 468 N C -0.580 174.963 175.510 0.055 0.000 1.142 468 N CA 0.247 53.317 53.050 0.033 0.000 0.965 468 N CB 1.325 39.891 38.487 0.131 0.000 1.077 468 N HN 0.448 nan 8.380 nan 0.000 0.462 469 I N 2.311 122.785 120.570 -0.159 0.000 2.433 469 I HA 0.402 -5.164 4.170 -16.227 0.000 0.292 469 I C -0.626 175.154 176.117 -0.562 0.000 1.001 469 I CA -0.609 60.591 61.300 -0.167 0.000 1.119 469 I CB 0.940 38.870 38.000 -0.117 0.000 1.289 469 I HN 0.240 nan 8.210 nan 0.000 0.438 470 F N 3.664 123.314 119.950 -0.500 0.000 2.532 470 F HA 0.346 -4.864 4.527 -16.227 0.000 0.321 470 F C 0.564 175.975 175.800 -0.649 0.000 1.089 470 F CA -0.958 56.725 58.000 -0.528 0.000 0.926 470 F CB 1.353 40.217 39.000 -0.228 0.000 1.168 470 F HN 0.415 nan 8.300 nan 0.000 0.459 471 N N 1.831 120.280 118.700 -0.418 0.000 2.359 471 N HA -0.039 -5.035 4.740 -16.227 0.000 0.261 471 N C 0.912 176.446 175.510 0.040 0.000 1.267 471 N CA 0.542 53.574 53.050 -0.031 0.000 0.864 471 N CB 1.358 39.949 38.487 0.174 0.000 1.063 471 N HN 0.872 nan 8.380 nan 0.000 0.474 472 A N 4.456 127.296 122.820 0.034 0.000 1.948 472 A HA -0.286 -5.703 4.320 -16.227 0.000 0.220 472 A C 1.697 179.271 177.584 -0.017 0.000 1.177 472 A CA 2.054 54.089 52.037 -0.003 0.000 0.636 472 A CB -0.646 18.339 19.000 -0.025 0.000 0.815 472 A HN 0.909 nan 8.150 nan 0.000 0.449 473 N N -0.347 118.366 118.700 0.022 0.000 2.520 473 N HA -0.032 -5.028 4.740 -16.227 0.000 0.185 473 N C 0.721 176.257 175.510 0.042 0.000 1.068 473 N CA 1.589 54.656 53.050 0.028 0.000 0.911 473 N CB -0.552 37.974 38.487 0.066 0.000 0.961 473 N HN 0.238 nan 8.380 nan 0.000 0.446 474 S N -0.936 114.804 115.700 0.068 0.000 2.602 474 S HA 0.324 -4.942 4.470 -16.227 0.000 0.240 474 S C 0.625 175.253 174.600 0.045 0.000 0.992 474 S CA -0.507 57.751 58.200 0.096 0.000 0.971 474 S CB 0.224 63.533 63.200 0.182 0.000 0.855 474 S HN 0.255 nan 8.310 nan 0.000 0.481 475 L N 0.033 121.210 121.223 -0.075 0.000 2.966 475 L HA 0.529 -4.868 4.340 -16.227 0.000 0.262 475 L C -0.721 176.037 176.870 -0.188 0.000 1.068 475 L CA 0.697 55.380 54.840 -0.261 0.000 1.004 475 L CB 0.374 42.169 42.059 -0.440 0.000 1.629 475 L HN 0.153 nan 8.230 nan 0.000 0.542 476 L N 0.932 122.075 121.223 -0.134 0.000 2.295 476 L HA 0.784 -4.612 4.340 -16.227 0.000 0.285 476 L C -0.433 176.348 176.870 -0.149 0.000 1.035 476 L CA -0.387 54.380 54.840 -0.121 0.000 0.806 476 L CB 1.417 43.402 42.059 -0.122 0.000 1.214 476 L HN 0.113 nan 8.230 nan 0.000 0.426 477 A N 2.275 125.002 122.820 -0.156 0.000 2.594 477 A HA 0.840 -4.576 4.320 -16.227 0.000 0.295 477 A C -0.838 176.670 177.584 -0.127 0.000 1.071 477 A CA -0.443 51.440 52.037 -0.256 0.000 0.685 477 A CB 2.138 20.721 19.000 -0.695 0.000 1.285 477 A HN 0.644 nan 8.150 nan 0.000 0.405 478 S N 0.324 115.990 115.700 -0.056 0.000 2.579 478 S HA 0.525 -4.741 4.470 -16.227 0.000 0.272 478 S C 0.154 174.783 174.600 0.048 0.000 1.141 478 S CA -0.647 57.567 58.200 0.024 0.000 0.843 478 S CB 1.651 64.856 63.200 0.009 0.000 1.122 478 S HN 0.654 nan 8.310 nan 0.000 0.468 479 K N 0.770 121.105 120.400 -0.107 0.000 2.211 479 K HA -0.008 -5.424 4.320 -16.227 0.000 0.203 479 K C 1.835 178.296 176.600 -0.232 0.000 1.050 479 K CA 0.980 57.074 56.287 -0.321 0.000 0.945 479 K CB -0.132 31.829 32.500 -0.899 0.000 0.732 479 K HN 0.628 nan 8.250 nan 0.000 0.451 480 K N 0.660 120.991 120.400 -0.115 0.000 2.116 480 K HA -0.033 -5.450 4.320 -16.227 0.000 0.203 480 K C 0.863 177.600 176.600 0.228 0.000 1.052 480 K CA 0.979 57.392 56.287 0.209 0.000 0.952 480 K CB 0.301 32.925 32.500 0.206 0.000 0.729 480 K HN 0.026 nan 8.250 nan 0.000 0.446 481 N N 0.066 118.849 118.700 0.139 0.000 2.200 481 N HA 0.112 -4.884 4.740 -16.227 0.000 0.224 481 N C -1.181 174.378 175.510 0.082 0.000 1.179 481 N CA 0.014 53.150 53.050 0.144 0.000 0.877 481 N CB 1.583 40.138 38.487 0.112 0.000 1.072 481 N HN -0.086 nan 8.380 nan 0.000 0.519 482 S N 0.492 116.233 115.700 0.068 0.000 2.548 482 S HA 0.551 -4.715 4.470 -16.227 0.000 0.286 482 S C 0.231 174.859 174.600 0.047 0.000 1.098 482 S CA -0.851 57.367 58.200 0.031 0.000 0.930 482 S CB 2.020 65.204 63.200 -0.026 0.000 1.070 482 S HN 0.230 nan 8.310 nan 0.000 0.480 483 I N -0.515 120.064 120.570 0.016 0.000 2.823 483 I HA 0.364 -5.203 4.170 -16.227 0.000 0.290 483 I C 0.615 176.803 176.117 0.118 0.000 1.091 483 I CA -0.417 60.896 61.300 0.022 0.000 1.365 483 I CB 0.419 38.418 38.000 -0.001 0.000 1.427 483 I HN 0.400 nan 8.210 nan 0.000 0.583 484 D N 2.266 122.723 120.400 0.094 0.000 2.133 484 D HA -0.232 -5.329 4.640 -16.227 0.000 0.195 484 D C 1.538 177.949 176.300 0.185 0.000 0.997 484 D CA 1.699 55.758 54.000 0.098 0.000 0.840 484 D CB -0.318 40.477 40.800 -0.009 0.000 0.947 484 D HN 0.729 nan 8.370 nan 0.000 0.452 485 F N 1.732 121.716 119.950 0.056 0.000 2.192 485 F HA -0.246 -5.456 4.527 -16.228 0.000 0.301 485 F C 2.328 178.186 175.800 0.097 0.000 1.079 485 F CA 1.172 59.219 58.000 0.078 0.000 1.303 485 F CB -0.203 38.822 39.000 0.042 0.000 1.024 485 F HN -0.173 nan 8.300 nan 0.000 0.494 486 S N -0.581 115.136 115.700 0.028 0.000 2.387 486 S HA -0.254 -5.520 4.470 -16.227 0.000 0.230 486 S C 1.741 176.214 174.600 -0.211 0.000 1.035 486 S CA 1.677 59.794 58.200 -0.139 0.000 1.014 486 S CB -0.678 62.423 63.200 -0.165 0.000 0.836 486 S HN 0.540 nan 8.310 nan 0.000 0.466 487 Y N 1.349 121.587 120.300 -0.104 0.000 2.163 487 Y HA -0.077 -5.264 4.550 -16.228 0.000 0.288 487 Y C 2.662 178.737 175.900 0.292 0.000 1.136 487 Y CA 0.888 58.950 58.100 -0.062 0.000 1.147 487 Y CB -0.729 37.401 38.460 -0.550 0.000 0.987 487 Y HN 0.266 nan 8.280 nan 0.000 0.509 488 A N 0.037 123.039 122.820 0.303 0.000 1.933 488 A HA -0.219 -5.635 4.320 -16.227 0.000 0.218 488 A C 2.157 179.728 177.584 -0.021 0.000 1.175 488 A CA 1.886 54.075 52.037 0.255 0.000 0.628 488 A CB -0.606 18.482 19.000 0.147 0.000 0.814 488 A HN 0.348 nan 8.150 nan 0.000 0.444 489 R N 0.357 120.657 120.500 -0.334 0.000 2.073 489 R HA -0.047 -5.444 4.340 -16.227 0.000 0.234 489 R C 1.750 178.025 176.300 -0.042 0.000 1.134 489 R CA 2.015 57.919 56.100 -0.326 0.000 0.952 489 R CB -0.837 29.142 30.300 -0.536 0.000 0.850 489 R HN 0.531 nan 8.270 nan 0.000 0.433 490 I N 0.262 120.842 120.570 0.018 0.000 2.179 490 I HA -0.252 -5.818 4.170 -16.227 0.000 0.242 490 I C 2.134 178.270 176.117 0.032 0.000 1.088 490 I CA 0.986 62.306 61.300 0.033 0.000 1.357 490 I CB -0.394 37.628 38.000 0.036 0.000 1.051 490 I HN 0.202 nan 8.210 nan 0.000 0.409 491 L N 0.393 121.698 121.223 0.137 0.000 2.012 491 L HA -0.236 -5.632 4.340 -16.227 0.000 0.210 491 L C 2.483 179.469 176.870 0.192 0.000 1.073 491 L CA 2.167 57.078 54.840 0.117 0.000 0.748 491 L CB -0.883 41.322 42.059 0.243 0.000 0.891 491 L HN 0.172 nan 8.230 nan 0.000 0.431 492 T N -1.256 113.390 114.554 0.154 0.000 2.674 492 T HA -0.154 -5.540 4.350 -16.227 0.000 0.265 492 T C 1.891 176.721 174.700 0.217 0.000 1.039 492 T CA 1.798 64.009 62.100 0.186 0.000 1.150 492 T CB -0.307 68.631 68.868 0.116 0.000 0.864 492 T HN 0.211 nan 8.240 nan 0.000 0.427 493 V N 1.046 121.067 119.914 0.179 0.000 2.323 493 V HA -0.099 -5.715 4.120 -16.227 0.000 0.244 493 V C 2.661 178.941 176.094 0.310 0.000 1.041 493 V CA 1.097 63.532 62.300 0.226 0.000 1.025 493 V CB -0.655 31.308 31.823 0.234 0.000 0.656 493 V HN 0.288 nan 8.190 nan 0.000 0.451 494 V N 1.148 121.219 119.914 0.262 0.000 2.287 494 V HA -0.216 -5.833 4.120 -16.227 0.000 0.248 494 V C 2.654 178.734 176.094 -0.023 0.000 1.053 494 V CA 2.331 64.735 62.300 0.173 0.000 1.027 494 V CB -1.507 30.258 31.823 -0.097 0.000 0.646 494 V HN 0.605 nan 8.190 nan 0.000 0.447 495 G N -1.042 107.693 108.800 -0.109 0.000 2.459 495 G HA2 -0.369 -6.145 3.960 -16.227 0.000 0.217 495 G HA3 -0.369 -6.145 3.960 -16.227 0.000 0.217 495 G C 1.416 176.010 174.900 -0.510 0.000 1.183 495 G CA 1.426 46.189 45.100 -0.561 0.000 0.776 495 G HN 0.662 nan 8.290 nan 0.000 0.552 496 H N 0.696 119.733 119.070 -0.055 0.000 2.265 496 H HA -0.097 -5.277 4.556 -16.226 0.000 0.295 496 H C 2.572 177.904 175.328 0.006 0.000 1.084 496 H CA 2.161 58.251 56.048 0.071 0.000 1.261 496 H CB 0.159 30.008 29.762 0.145 0.000 1.360 496 H HN 0.263 nan 8.280 nan 0.000 0.487 497 E N -0.210 120.154 120.200 0.274 0.000 2.153 497 E HA -0.203 -5.589 4.350 -16.227 0.000 0.194 497 E C 2.074 178.747 176.600 0.122 0.000 0.988 497 E CA 0.969 57.525 56.400 0.260 0.000 0.811 497 E CB -0.723 29.044 29.700 0.111 0.000 0.746 497 E HN 0.645 nan 8.360 nan 0.000 0.466 498 Y N 0.819 121.031 120.300 -0.147 0.000 2.145 498 Y HA -0.224 -5.410 4.550 -16.226 0.000 0.286 498 Y C 1.916 177.744 175.900 -0.120 0.000 1.145 498 Y CA 1.356 59.315 58.100 -0.234 0.000 1.148 498 Y CB -0.376 37.780 38.460 -0.507 0.000 0.981 498 Y HN -0.120 nan 8.280 nan 0.000 0.507 499 F N -0.546 119.343 119.950 -0.101 0.000 2.333 499 F HA -0.187 -5.392 4.527 -16.221 0.000 0.300 499 F C 2.451 178.165 175.800 -0.144 0.000 1.083 499 F CA 1.245 59.144 58.000 -0.168 0.000 1.395 499 F CB -1.134 37.771 39.000 -0.157 0.000 1.056 499 F HN 0.235 nan 8.300 nan 0.000 0.529 500 H N -0.194 118.898 119.070 0.036 0.000 2.489 500 H HA -0.161 -5.341 4.556 -16.228 0.000 0.293 500 H C 2.167 177.501 175.328 0.010 0.000 1.066 500 H CA 1.413 57.486 56.048 0.041 0.000 1.305 500 H CB -0.245 29.556 29.762 0.066 0.000 1.386 500 H HN 0.258 nan 8.280 nan 0.000 0.551 501 Q N 0.116 119.937 119.800 0.035 0.000 2.152 501 Q HA -0.189 -5.585 4.340 -16.227 0.000 0.206 501 Q C 1.520 177.442 176.000 -0.130 0.000 0.985 501 Q CA 1.692 57.451 55.803 -0.072 0.000 0.863 501 Q CB -0.270 28.374 28.738 -0.157 0.000 0.904 501 Q HN 0.503 nan 8.270 nan 0.000 0.422 502 Y N -0.755 119.540 120.300 -0.007 0.000 2.239 502 Y HA 0.077 -5.110 4.550 -16.228 0.000 0.293 502 Y C 1.158 177.096 175.900 0.063 0.000 1.126 502 Y CA 1.250 59.363 58.100 0.022 0.000 1.128 502 Y CB 0.039 38.530 38.460 0.052 0.000 1.066 502 Y HN 0.124 nan 8.280 nan 0.000 0.516 503 T N -1.103 113.623 114.554 0.288 0.000 3.579 503 T HA 0.573 -4.813 4.350 -16.227 0.000 0.328 503 T C 0.799 175.697 174.700 0.331 0.000 1.481 503 T CA 0.222 62.485 62.100 0.273 0.000 1.144 503 T CB -0.057 68.958 68.868 0.244 0.000 1.205 503 T HN 0.540 nan 8.240 nan 0.000 0.812 504 G N 3.045 112.000 108.800 0.258 0.000 3.967 504 G HA2 -0.175 -5.951 3.960 -16.227 0.000 0.210 504 G HA3 -0.175 -5.951 3.960 -16.227 0.000 0.210 504 G C 0.863 175.838 174.900 0.125 0.000 1.127 504 G CA -0.186 45.065 45.100 0.252 0.000 0.887 504 G HN 0.472 nan 8.290 nan 0.000 0.367 505 N N 0.663 119.395 118.700 0.055 0.000 2.322 505 N HA 0.173 -4.824 4.740 -16.227 0.000 0.186 505 N C 2.139 177.589 175.510 -0.100 0.000 1.037 505 N CA 1.051 54.066 53.050 -0.058 0.000 0.869 505 N CB -0.283 38.153 38.487 -0.086 0.000 1.036 505 N HN 0.333 nan 8.380 nan 0.000 0.439 506 R N 0.210 120.627 120.500 -0.138 0.000 2.062 506 R HA 0.140 -5.256 4.340 -16.227 0.000 0.229 506 R C -0.001 176.231 176.300 -0.114 0.000 1.128 506 R CA 0.643 56.635 56.100 -0.181 0.000 0.960 506 R CB -0.002 30.093 30.300 -0.340 0.000 0.855 506 R HN -0.011 nan 8.270 nan 0.000 0.432 507 V N 2.322 122.193 119.914 -0.071 0.000 2.333 507 V HA 0.173 -5.443 4.120 -16.227 0.000 0.274 507 V C 0.065 176.167 176.094 0.012 0.000 1.028 507 V CA -0.281 61.975 62.300 -0.072 0.000 0.851 507 V CB 1.273 32.996 31.823 -0.166 0.000 1.000 507 V HN 0.239 nan 8.190 nan 0.000 0.456 508 T N 5.022 119.578 114.554 0.003 0.000 2.893 508 T HA 0.678 -4.708 4.350 -16.227 0.000 0.279 508 T C -0.130 174.585 174.700 0.026 0.000 0.991 508 T CA -0.709 61.417 62.100 0.043 0.000 0.950 508 T CB 1.168 70.054 68.868 0.029 0.000 1.223 508 T HN 0.319 nan 8.240 nan 0.000 0.585 509 L N 1.318 122.536 121.223 -0.009 0.000 2.307 509 L HA 0.491 -4.905 4.340 -16.227 0.000 0.282 509 L C 1.921 178.699 176.870 -0.153 0.000 1.051 509 L CA -0.758 54.026 54.840 -0.093 0.000 0.804 509 L CB 1.009 42.947 42.059 -0.203 0.000 1.197 509 L HN 0.635 nan 8.230 nan 0.000 0.431 510 R N 1.252 121.663 120.500 -0.148 0.000 2.092 510 R HA -0.093 -5.490 4.340 -16.227 0.000 0.231 510 R C -0.402 175.762 176.300 -0.226 0.000 1.119 510 R CA 1.685 57.667 56.100 -0.197 0.000 0.970 510 R CB 0.231 30.348 30.300 -0.305 0.000 0.864 510 R HN 0.964 nan 8.270 nan 0.000 0.440 511 D N -4.781 115.475 120.400 -0.241 0.000 2.639 511 D HA 0.049 -5.047 4.640 -16.227 0.000 0.271 511 D C -0.325 175.838 176.300 -0.229 0.000 1.254 511 D CA -0.793 53.092 54.000 -0.192 0.000 0.810 511 D CB -0.456 40.399 40.800 0.093 0.000 1.351 511 D HN -0.041 nan 8.370 nan 0.000 0.427 512 W N -0.841 120.397 121.300 -0.104 0.000 2.525 512 W HA 0.091 -4.987 4.660 -16.231 0.000 0.259 512 W C 1.169 177.492 176.519 -0.326 0.000 1.253 512 W CA -0.342 56.788 57.345 -0.359 0.000 1.262 512 W CB -0.217 28.819 29.460 -0.706 0.000 1.122 512 W HN 0.306 nan 8.180 nan 0.000 0.607 513 F N 0.269 120.368 119.950 0.247 0.000 2.451 513 F HA -0.187 -5.399 4.527 -16.232 0.000 0.299 513 F C 2.174 178.161 175.800 0.311 0.000 1.101 513 F CA 0.949 59.166 58.000 0.362 0.000 1.436 513 F CB -0.645 38.542 39.000 0.312 0.000 1.074 513 F HN -0.090 nan 8.300 nan 0.000 0.553 514 Q N 0.161 120.154 119.800 0.322 0.000 2.365 514 Q HA 0.036 -5.360 4.340 -16.227 0.000 0.203 514 Q C 2.132 178.256 176.000 0.205 0.000 0.929 514 Q CA 0.092 56.024 55.803 0.215 0.000 0.948 514 Q CB -0.505 28.289 28.738 0.094 0.000 1.043 514 Q HN 0.413 nan 8.270 nan 0.000 0.505 515 L N 1.060 122.444 121.223 0.268 0.000 2.051 515 L HA -0.228 -5.625 4.340 -16.227 0.000 0.214 515 L C 2.220 179.157 176.870 0.112 0.000 1.076 515 L CA 2.169 57.130 54.840 0.202 0.000 0.758 515 L CB -1.023 41.156 42.059 0.199 0.000 0.890 515 L HN 0.182 nan 8.230 nan 0.000 0.433 516 T N -1.458 113.178 114.554 0.136 0.000 2.881 516 T HA -0.172 -5.558 4.350 -16.227 0.000 0.270 516 T C 1.850 176.604 174.700 0.091 0.000 1.068 516 T CA 1.257 63.410 62.100 0.089 0.000 1.131 516 T CB -0.307 68.645 68.868 0.141 0.000 0.871 516 T HN 0.323 nan 8.240 nan 0.000 0.479 517 L N 1.669 122.967 121.223 0.125 0.000 2.079 517 L HA -0.056 -5.453 4.340 -16.227 0.000 0.210 517 L C 2.266 179.159 176.870 0.038 0.000 1.081 517 L CA 2.221 57.092 54.840 0.052 0.000 0.752 517 L CB -0.488 41.618 42.059 0.077 0.000 0.896 517 L HN 0.420 nan 8.230 nan 0.000 0.433 518 K N -2.541 117.924 120.400 0.109 0.000 2.202 518 K HA 0.028 -5.388 4.320 -16.227 0.000 0.201 518 K C 1.681 178.391 176.600 0.182 0.000 1.051 518 K CA 0.553 56.956 56.287 0.193 0.000 0.977 518 K CB -0.271 32.398 32.500 0.281 0.000 0.792 518 K HN 0.136 nan 8.250 nan 0.000 0.469 519 E N 1.391 121.626 120.200 0.057 0.000 2.033 519 E HA -0.021 -5.408 4.350 -16.227 0.000 0.189 519 E C 2.294 178.805 176.600 -0.149 0.000 0.979 519 E CA 1.412 57.723 56.400 -0.147 0.000 0.802 519 E CB -0.562 28.722 29.700 -0.693 0.000 0.763 519 E HN 0.506 nan 8.360 nan 0.000 0.449 520 G N 1.778 110.518 108.800 -0.099 0.000 2.446 520 G HA2 -0.245 -6.021 3.960 -16.227 0.000 0.217 520 G HA3 -0.245 -6.021 3.960 -16.227 0.000 0.217 520 G C 1.611 176.517 174.900 0.011 0.000 1.168 520 G CA 0.880 45.970 45.100 -0.017 0.000 0.771 520 G HN 0.213 nan 8.290 nan 0.000 0.551 521 L N 0.920 122.124 121.223 -0.032 0.000 2.083 521 L HA 0.033 -5.364 4.340 -16.227 0.000 0.209 521 L C 2.841 179.718 176.870 0.012 0.000 1.083 521 L CA 2.443 57.273 54.840 -0.015 0.000 0.752 521 L CB -0.874 41.099 42.059 -0.142 0.000 0.899 521 L HN 0.186 nan 8.230 nan 0.000 0.433 522 T N -1.494 112.998 114.554 -0.102 0.000 2.904 522 T HA -0.087 -5.473 4.350 -16.227 0.000 0.267 522 T C 1.988 176.569 174.700 -0.200 0.000 1.059 522 T CA 1.281 63.199 62.100 -0.302 0.000 1.137 522 T CB -0.201 68.163 68.868 -0.841 0.000 0.879 522 T HN 0.168 nan 8.240 nan 0.000 0.467 523 V N 1.336 121.260 119.914 0.017 0.000 2.343 523 V HA -0.211 -5.827 4.120 -16.227 0.000 0.247 523 V C 2.327 178.471 176.094 0.083 0.000 1.051 523 V CA 2.064 64.483 62.300 0.199 0.000 1.036 523 V CB -0.695 31.308 31.823 0.300 0.000 0.654 523 V HN 0.563 nan 8.190 nan 0.000 0.451 524 H N 0.870 119.924 119.070 -0.026 0.000 2.319 524 H HA -0.178 -5.336 4.556 -16.190 0.000 0.299 524 H C 2.437 177.721 175.328 -0.073 0.000 1.092 524 H CA 2.265 58.278 56.048 -0.059 0.000 1.302 524 H CB -0.168 29.585 29.762 -0.017 0.000 1.373 524 H HN 0.280 nan 8.280 nan 0.000 0.497 525 R N 0.027 120.368 120.500 -0.266 0.000 2.081 525 R HA -0.122 -5.518 4.340 -16.227 0.000 0.235 525 R C 2.487 178.580 176.300 -0.345 0.000 1.131 525 R CA 1.418 57.270 56.100 -0.413 0.000 0.960 525 R CB -0.192 29.817 30.300 -0.485 0.000 0.856 525 R HN 0.450 nan 8.270 nan 0.000 0.436 526 E N 0.891 121.079 120.200 -0.021 0.000 2.110 526 E HA -0.195 -5.581 4.350 -16.227 0.000 0.193 526 E C 1.204 177.849 176.600 0.075 0.000 0.988 526 E CA 1.292 57.853 56.400 0.268 0.000 0.804 526 E CB -0.015 29.907 29.700 0.371 0.000 0.745 526 E HN 0.232 nan 8.360 nan 0.000 0.458 527 N N 0.833 119.480 118.700 -0.088 0.000 2.084 527 N HA -0.118 -5.114 4.740 -16.227 0.000 0.190 527 N C 2.129 177.492 175.510 -0.245 0.000 1.030 527 N CA 0.961 53.901 53.050 -0.183 0.000 0.849 527 N CB -0.554 37.784 38.487 -0.248 0.000 1.012 527 N HN 0.197 nan 8.380 nan 0.000 0.423 528 L N -0.392 120.635 121.223 -0.327 0.000 2.012 528 L HA -0.186 -5.582 4.340 -16.227 0.000 0.210 528 L C 2.182 178.727 176.870 -0.542 0.000 1.073 528 L CA 1.132 55.749 54.840 -0.372 0.000 0.748 528 L CB -0.507 41.287 42.059 -0.442 0.000 0.891 528 L HN 0.101 nan 8.230 nan 0.000 0.431 529 F N 0.637 120.022 119.950 -0.941 0.000 2.046 529 F HA -0.252 -5.463 4.527 -16.230 0.000 0.297 529 F C 2.651 178.063 175.800 -0.647 0.000 1.123 529 F CA 1.979 59.189 58.000 -1.316 0.000 1.199 529 F CB -0.532 38.106 39.000 -0.603 0.000 0.972 529 F HN -0.085 nan 8.300 nan 0.000 0.474 530 S N 0.124 115.485 115.700 -0.564 0.000 2.382 530 S HA -0.198 -5.464 4.470 -16.227 0.000 0.228 530 S C 1.828 176.134 174.600 -0.490 0.000 1.027 530 S CA 1.444 59.289 58.200 -0.591 0.000 0.991 530 S CB -0.448 62.570 63.200 -0.304 0.000 0.823 530 S HN 0.516 nan 8.310 nan 0.000 0.469 531 E N 0.561 120.545 120.200 -0.360 0.000 2.085 531 E HA -0.220 -5.606 4.350 -16.227 0.000 0.194 531 E C 2.124 178.570 176.600 -0.256 0.000 0.994 531 E CA 1.244 57.486 56.400 -0.263 0.000 0.801 531 E CB -0.098 29.490 29.700 -0.187 0.000 0.743 531 E HN 0.362 nan 8.360 nan 0.000 0.453 532 E N 0.162 120.182 120.200 -0.301 0.000 2.152 532 E HA -0.126 -5.512 4.350 -16.227 0.000 0.192 532 E C 1.824 178.284 176.600 -0.234 0.000 0.983 532 E CA 0.997 57.284 56.400 -0.190 0.000 0.818 532 E CB 0.138 29.798 29.700 -0.067 0.000 0.758 532 E HN 0.094 nan 8.360 nan 0.000 0.467 533 M N -0.036 119.304 119.600 -0.434 0.000 2.193 533 M HA -0.017 -5.273 4.480 -16.227 0.000 0.265 533 M C 2.332 178.436 176.300 -0.325 0.000 1.071 533 M CA 1.908 56.971 55.300 -0.396 0.000 1.140 533 M CB -1.254 30.950 32.600 -0.659 0.000 1.369 533 M HN 0.300 nan 8.290 nan 0.000 0.423 534 T N -2.875 111.385 114.554 -0.491 0.000 2.978 534 T HA -0.001 -5.387 4.350 -16.227 0.000 0.262 534 T C 1.015 175.583 174.700 -0.219 0.000 1.063 534 T CA 0.375 62.134 62.100 -0.568 0.000 1.140 534 T CB -0.000 68.389 68.868 -0.797 0.000 0.886 534 T HN 0.205 nan 8.240 nan 0.000 0.470 535 K N 2.393 122.686 120.400 -0.179 0.000 3.016 535 K HA -0.130 -5.546 4.320 -16.227 0.000 0.262 535 K C 0.036 176.601 176.600 -0.058 0.000 1.043 535 K CA 1.313 57.546 56.287 -0.090 0.000 0.761 535 K CB -2.664 29.807 32.500 -0.047 0.000 1.230 535 K HN 0.889 nan 8.250 nan 0.000 0.485 536 T N -3.728 110.781 114.554 -0.076 0.000 2.863 536 T HA 0.511 -4.875 4.350 -16.227 0.000 0.285 536 T C 1.436 176.123 174.700 -0.022 0.000 1.009 536 T CA -0.419 61.666 62.100 -0.024 0.000 0.989 536 T CB 2.400 71.274 68.868 0.009 0.000 1.004 536 T HN -0.001 nan 8.240 nan 0.000 0.455 537 V N -0.089 119.831 119.914 0.010 0.000 2.913 537 V HA -0.069 -5.685 4.120 -16.227 0.000 0.260 537 V C 2.355 178.469 176.094 0.032 0.000 1.098 537 V CA 1.836 64.142 62.300 0.010 0.000 1.121 537 V CB -2.047 29.777 31.823 0.002 0.000 0.714 537 V HN 1.086 nan 8.190 nan 0.000 0.487 538 T N -2.539 112.068 114.554 0.088 0.000 2.962 538 T HA -0.164 -5.550 4.350 -16.227 0.000 0.270 538 T C 1.751 176.500 174.700 0.081 0.000 1.088 538 T CA 1.757 63.951 62.100 0.156 0.000 1.127 538 T CB -0.979 68.038 68.868 0.248 0.000 0.883 538 T HN 0.536 nan 8.240 nan 0.000 0.493 539 T N 1.782 116.341 114.554 0.008 0.000 2.652 539 T HA -0.096 -5.482 4.350 -16.227 0.000 0.267 539 T C 2.073 176.763 174.700 -0.017 0.000 1.039 539 T CA 1.652 63.734 62.100 -0.030 0.000 1.153 539 T CB -0.299 68.495 68.868 -0.123 0.000 0.863 539 T HN 0.342 nan 8.240 nan 0.000 0.428 540 R N 0.755 121.231 120.500 -0.040 0.000 2.066 540 R HA 0.036 -5.360 4.340 -16.227 0.000 0.232 540 R C 2.132 178.386 176.300 -0.075 0.000 1.131 540 R CA 1.179 57.258 56.100 -0.034 0.000 0.955 540 R CB -1.087 29.194 30.300 -0.033 0.000 0.851 540 R HN 0.212 nan 8.270 nan 0.000 0.432 541 L N 0.866 121.987 121.223 -0.169 0.000 2.042 541 L HA -0.153 -5.549 4.340 -16.227 0.000 0.210 541 L C 2.428 179.066 176.870 -0.387 0.000 1.076 541 L CA 2.334 56.893 54.840 -0.469 0.000 0.749 541 L CB -1.241 40.406 42.059 -0.688 0.000 0.893 541 L HN 0.467 nan 8.230 nan 0.000 0.432 542 S N -2.061 113.591 115.700 -0.080 0.000 2.382 542 S HA -0.286 -5.552 4.470 -16.227 0.000 0.228 542 S C 2.085 176.714 174.600 0.049 0.000 1.027 542 S CA 1.337 59.587 58.200 0.082 0.000 0.991 542 S CB -0.779 62.538 63.200 0.195 0.000 0.823 542 S HN 0.596 nan 8.310 nan 0.000 0.469 543 H N 1.307 120.349 119.070 -0.047 0.000 2.357 543 H HA 0.086 -5.097 4.556 -16.231 0.000 0.301 543 H C 1.915 177.182 175.328 -0.102 0.000 1.082 543 H CA 1.796 57.823 56.048 -0.036 0.000 1.342 543 H CB -0.520 29.235 29.762 -0.013 0.000 1.389 543 H HN 0.244 nan 8.280 nan 0.000 0.511 544 V N 0.369 120.183 119.914 -0.167 0.000 2.295 544 V HA -0.252 -5.869 4.120 -16.227 0.000 0.246 544 V C 2.134 178.000 176.094 -0.379 0.000 1.049 544 V CA 2.238 64.308 62.300 -0.383 0.000 1.024 544 V CB -0.583 30.956 31.823 -0.474 0.000 0.648 544 V HN 0.491 nan 8.190 nan 0.000 0.447 545 D N -0.291 119.964 120.400 -0.242 0.000 2.123 545 D HA -0.209 -5.305 4.640 -16.227 0.000 0.196 545 D C 2.054 178.279 176.300 -0.125 0.000 0.992 545 D CA 1.443 55.376 54.000 -0.113 0.000 0.833 545 D CB -0.087 40.726 40.800 0.020 0.000 0.954 545 D HN 0.383 nan 8.370 nan 0.000 0.455 546 L N -0.382 120.759 121.223 -0.136 0.000 2.027 546 L HA -0.053 -5.449 4.340 -16.227 0.000 0.206 546 L C 2.188 178.938 176.870 -0.200 0.000 1.074 546 L CA 0.935 55.700 54.840 -0.124 0.000 0.745 546 L CB -0.306 41.696 42.059 -0.095 0.000 0.898 546 L HN 0.150 nan 8.230 nan 0.000 0.433 547 L N -0.071 120.954 121.223 -0.330 0.000 2.012 547 L HA -0.219 -5.615 4.340 -16.227 0.000 0.210 547 L C 2.675 179.219 176.870 -0.543 0.000 1.073 547 L CA 1.789 56.416 54.840 -0.355 0.000 0.748 547 L CB -0.420 41.427 42.059 -0.353 0.000 0.891 547 L HN 0.179 nan 8.230 nan 0.000 0.431 548 R N -0.808 119.248 120.500 -0.740 0.000 2.235 548 R HA -0.041 -5.437 4.340 -16.227 0.000 0.213 548 R C 2.184 178.364 176.300 -0.201 0.000 1.059 548 R CA 1.064 56.544 56.100 -1.035 0.000 0.997 548 R CB -0.312 29.587 30.300 -0.668 0.000 0.884 548 R HN 0.647 nan 8.270 nan 0.000 0.462 549 S N 0.063 115.725 115.700 -0.063 0.000 2.346 549 S HA -0.011 -5.277 4.470 -16.227 0.000 0.204 549 S C 2.091 176.727 174.600 0.060 0.000 1.008 549 S CA 0.405 58.660 58.200 0.090 0.000 0.925 549 S CB -0.655 62.596 63.200 0.085 0.000 0.903 549 S HN -0.017 nan 8.310 nan 0.000 0.537 550 V N 2.367 122.292 119.914 0.018 0.000 2.307 550 V HA -0.106 -5.722 4.120 -16.227 0.000 0.245 550 V C 3.057 179.188 176.094 0.061 0.000 1.045 550 V CA 1.994 64.317 62.300 0.039 0.000 1.024 550 V CB -0.879 30.956 31.823 0.021 0.000 0.651 550 V HN 0.496 nan 8.190 nan 0.000 0.449 551 Q N -0.698 119.127 119.800 0.042 0.000 2.123 551 Q HA -0.127 -5.523 4.340 -16.227 0.000 0.199 551 Q C 2.204 178.335 176.000 0.219 0.000 0.966 551 Q CA 1.579 57.441 55.803 0.098 0.000 0.845 551 Q CB -0.180 28.601 28.738 0.073 0.000 0.907 551 Q HN 0.537 nan 8.270 nan 0.000 0.439 552 F N 1.060 120.975 119.950 -0.059 0.000 2.171 552 F HA -0.168 -5.381 4.527 -16.233 0.000 0.300 552 F C 2.373 178.148 175.800 -0.043 0.000 1.090 552 F CA 0.516 58.460 58.000 -0.094 0.000 1.293 552 F CB -1.116 37.796 39.000 -0.147 0.000 1.013 552 F HN 0.101 nan 8.300 nan 0.000 0.486 553 L N 0.044 121.374 121.223 0.178 0.000 1.989 553 L HA -0.265 -5.661 4.340 -16.227 0.000 0.211 553 L C 2.488 179.397 176.870 0.065 0.000 1.071 553 L CA 1.920 56.814 54.840 0.090 0.000 0.749 553 L CB -0.473 41.636 42.059 0.083 0.000 0.890 553 L HN 0.173 nan 8.230 nan 0.000 0.431 554 E N -0.431 119.816 120.200 0.079 0.000 2.070 554 E HA -0.320 -5.706 4.350 -16.227 0.000 0.197 554 E C 1.677 178.288 176.600 0.018 0.000 1.004 554 E CA 1.789 58.228 56.400 0.065 0.000 0.805 554 E CB -0.058 29.687 29.700 0.074 0.000 0.744 554 E HN 0.480 nan 8.360 nan 0.000 0.451 555 D N -0.693 119.702 120.400 -0.008 0.000 2.348 555 D HA -0.052 -5.148 4.640 -16.227 0.000 0.216 555 D C 1.389 177.657 176.300 -0.052 0.000 0.970 555 D CA 1.017 54.980 54.000 -0.062 0.000 0.889 555 D CB 0.098 40.835 40.800 -0.105 0.000 0.912 555 D HN 0.200 nan 8.370 nan 0.000 0.524 556 S N -1.262 114.420 115.700 -0.030 0.000 2.554 556 S HA 0.142 -5.124 4.470 -16.227 0.000 0.226 556 S C 0.761 175.330 174.600 -0.052 0.000 0.980 556 S CA -0.473 57.702 58.200 -0.042 0.000 0.939 556 S CB 0.135 63.309 63.200 -0.043 0.000 0.832 556 S HN 0.082 nan 8.310 nan 0.000 0.486 557 S N 1.270 116.954 115.700 -0.028 0.000 2.713 557 S HA 0.569 -4.697 4.470 -16.227 0.000 0.283 557 S C -2.254 172.341 174.600 -0.007 0.000 1.161 557 S CA -1.268 56.914 58.200 -0.030 0.000 0.999 557 S CB 0.730 63.941 63.200 0.017 0.000 1.039 557 S HN -0.015 nan 8.310 nan 0.000 0.548 558 P HA 0.058 nan 4.420 nan 0.000 0.226 558 P C 0.767 178.098 177.300 0.052 0.000 1.146 558 P CA 0.851 63.978 63.100 0.046 0.000 0.773 558 P CB -0.106 31.664 31.700 0.118 0.000 0.772 559 L N -1.908 119.345 121.223 0.051 0.000 2.591 559 L HA 0.085 -5.312 4.340 -16.227 0.000 0.228 559 L C 1.098 178.087 176.870 0.199 0.000 1.133 559 L CA -0.105 54.780 54.840 0.075 0.000 0.880 559 L CB -0.455 41.624 42.059 0.032 0.000 1.033 559 L HN -0.086 nan 8.230 nan 0.000 0.450 560 S N 1.110 116.877 115.700 0.113 0.000 2.563 560 S HA -0.007 -5.274 4.470 -16.227 0.000 0.294 560 S C -0.239 174.450 174.600 0.148 0.000 1.279 560 S CA -0.149 58.091 58.200 0.066 0.000 1.069 560 S CB -0.223 62.979 63.200 0.003 0.000 0.828 560 S HN 0.456 nan 8.310 nan 0.000 0.497 561 H N 2.788 121.865 119.070 0.012 0.000 2.980 561 H HA 0.621 -4.560 4.556 -16.227 0.000 0.367 561 H C -3.309 172.031 175.328 0.020 0.000 1.206 561 H CA -2.442 53.619 56.048 0.022 0.000 1.126 561 H CB 0.661 30.432 29.762 0.014 0.000 1.838 561 H HN 0.369 nan 8.280 nan 0.000 0.552 562 P HA 0.125 nan 4.420 nan 0.000 0.274 562 P C 1.500 178.857 177.300 0.094 0.000 1.256 562 P CA -0.593 62.545 63.100 0.065 0.000 0.795 562 P CB 1.507 33.277 31.700 0.117 0.000 1.038 563 I N -2.156 118.453 120.570 0.065 0.000 2.614 563 I HA 0.002 -5.564 4.170 -16.227 0.000 0.258 563 I C 1.144 177.375 176.117 0.190 0.000 1.189 563 I CA 0.990 62.337 61.300 0.078 0.000 1.462 563 I CB -0.295 37.702 38.000 -0.005 0.000 1.092 563 I HN 0.157 nan 8.210 nan 0.000 0.442 564 R N 2.553 123.218 120.500 0.274 0.000 2.335 564 R HA 0.471 -4.926 4.340 -16.227 0.000 0.302 564 R C -2.662 173.851 176.300 0.354 0.000 1.147 564 R CA -2.003 54.311 56.100 0.357 0.000 1.111 564 R CB 0.794 31.334 30.300 0.401 0.000 1.122 564 R HN 0.060 nan 8.270 nan 0.000 0.557 565 P HA 0.013 nan 4.420 nan 0.000 0.270 565 P C -0.093 177.507 177.300 0.501 0.000 1.223 565 P CA -0.106 63.247 63.100 0.422 0.000 0.785 565 P CB 0.851 32.784 31.700 0.389 0.000 0.923 566 E N -0.280 120.127 120.200 0.345 0.000 2.400 566 E HA 0.054 -5.332 4.350 -16.227 0.000 0.195 566 E C 0.360 177.100 176.600 0.233 0.000 1.012 566 E CA 0.689 57.209 56.400 0.200 0.000 0.875 566 E CB 0.105 29.907 29.700 0.170 0.000 0.859 566 E HN 0.548 nan 8.360 nan 0.000 0.498 567 S N -0.373 115.597 115.700 0.449 0.000 2.565 567 S HA 0.620 -4.646 4.470 -16.227 0.000 0.269 567 S C -1.021 173.872 174.600 0.489 0.000 1.153 567 S CA -1.073 57.333 58.200 0.344 0.000 0.835 567 S CB 1.346 64.510 63.200 -0.061 0.000 1.122 567 S HN 0.174 nan 8.310 nan 0.000 0.462 568 Y N -1.550 118.907 120.300 0.262 0.000 2.609 568 Y HA 0.796 -4.391 4.550 -16.229 0.000 0.336 568 Y C -0.535 175.437 175.900 0.120 0.000 1.129 568 Y CA -1.310 56.888 58.100 0.163 0.000 1.040 568 Y CB 0.677 39.164 38.460 0.045 0.000 1.310 568 Y HN 0.343 nan 8.280 nan 0.000 0.460 569 V N 0.486 120.600 119.914 0.332 0.000 2.806 569 V HA 0.140 -5.476 4.120 -16.227 0.000 0.239 569 V C 0.457 176.760 176.094 0.349 0.000 1.113 569 V CA 0.990 63.454 62.300 0.274 0.000 1.137 569 V CB 0.823 32.737 31.823 0.151 0.000 0.865 569 V HN 0.755 nan 8.190 nan 0.000 0.482 570 S N 0.001 115.861 115.700 0.266 0.000 2.530 570 S HA 0.356 -4.910 4.470 -16.227 0.000 0.322 570 S C 0.743 175.333 174.600 -0.016 0.000 1.085 570 S CA -0.530 57.744 58.200 0.124 0.000 1.096 570 S CB 1.135 64.388 63.200 0.087 0.000 0.988 570 S HN 0.142 nan 8.310 nan 0.000 0.466 571 M N 3.521 122.969 119.600 -0.252 0.000 2.296 571 M HA 0.016 -5.241 4.480 -16.227 0.000 0.265 571 M C 1.550 177.760 176.300 -0.150 0.000 1.064 571 M CA 1.397 56.386 55.300 -0.517 0.000 1.109 571 M CB -1.202 30.921 32.600 -0.796 0.000 1.396 571 M HN 0.766 nan 8.290 nan 0.000 0.430 572 E N -0.291 119.840 120.200 -0.115 0.000 2.409 572 E HA -0.133 -5.519 4.350 -16.227 0.000 0.198 572 E C 0.880 177.490 176.600 0.016 0.000 1.024 572 E CA 0.493 56.838 56.400 -0.092 0.000 0.861 572 E CB -0.047 29.574 29.700 -0.133 0.000 0.788 572 E HN 0.479 nan 8.360 nan 0.000 0.521 573 N N -0.583 118.171 118.700 0.090 0.000 2.236 573 N HA 0.019 -4.978 4.740 -16.227 0.000 0.196 573 N C 0.500 176.131 175.510 0.202 0.000 1.114 573 N CA 0.108 53.245 53.050 0.144 0.000 0.859 573 N CB 0.209 38.809 38.487 0.189 0.000 0.982 573 N HN 0.091 nan 8.380 nan 0.000 0.493 574 F N 0.114 120.082 119.950 0.031 0.000 2.664 574 F HA 0.168 -5.043 4.527 -16.229 0.000 0.296 574 F C 0.020 175.792 175.800 -0.046 0.000 1.125 574 F CA 0.040 57.985 58.000 -0.093 0.000 1.444 574 F CB 0.161 38.968 39.000 -0.321 0.000 1.114 574 F HN -0.077 nan 8.300 nan 0.000 0.576 575 Y N 1.241 121.620 120.300 0.132 0.000 2.724 575 Y HA 0.226 -4.958 4.550 -16.223 0.000 0.332 575 Y C 0.780 176.738 175.900 0.097 0.000 1.276 575 Y CA -0.648 57.577 58.100 0.208 0.000 1.597 575 Y CB -0.516 38.033 38.460 0.149 0.000 1.584 575 Y HN -0.111 nan 8.280 nan 0.000 0.478 576 T N -3.883 110.815 114.554 0.239 0.000 2.952 576 T HA 0.100 -5.286 4.350 -16.227 0.000 0.286 576 T C 1.221 176.046 174.700 0.210 0.000 1.024 576 T CA -0.574 61.647 62.100 0.201 0.000 1.029 576 T CB 1.799 70.843 68.868 0.294 0.000 1.094 576 T HN 0.357 nan 8.240 nan 0.000 0.515 577 T N 0.469 115.104 114.554 0.135 0.000 2.849 577 T HA -0.126 -5.512 4.350 -16.227 0.000 0.270 577 T C 1.813 176.591 174.700 0.130 0.000 1.066 577 T CA 2.324 64.498 62.100 0.122 0.000 1.130 577 T CB -1.110 67.800 68.868 0.070 0.000 0.864 577 T HN 0.762 nan 8.240 nan 0.000 0.481 578 T N 1.148 115.752 114.554 0.084 0.000 2.674 578 T HA -0.059 -5.445 4.350 -16.227 0.000 0.265 578 T C 1.985 176.718 174.700 0.055 0.000 1.039 578 T CA 1.497 63.581 62.100 -0.027 0.000 1.150 578 T CB -0.597 68.048 68.868 -0.372 0.000 0.864 578 T HN 0.237 nan 8.240 nan 0.000 0.427 579 V N 0.055 120.052 119.914 0.138 0.000 2.332 579 V HA -0.185 -5.801 4.120 -16.227 0.000 0.248 579 V C 2.043 178.223 176.094 0.143 0.000 1.055 579 V CA 1.654 64.026 62.300 0.119 0.000 1.038 579 V CB -0.682 31.187 31.823 0.077 0.000 0.651 579 V HN 0.537 nan 8.190 nan 0.000 0.450 580 Y N 0.066 120.424 120.300 0.096 0.000 2.153 580 Y HA -0.121 -5.303 4.550 -16.220 0.000 0.289 580 Y C 2.628 178.616 175.900 0.148 0.000 1.119 580 Y CA 1.636 59.825 58.100 0.148 0.000 1.116 580 Y CB -0.070 38.494 38.460 0.173 0.000 1.004 580 Y HN 0.267 nan 8.280 nan 0.000 0.501 581 D N -0.391 120.186 120.400 0.295 0.000 2.197 581 D HA -0.092 -5.188 4.640 -16.227 0.000 0.212 581 D C 1.852 178.226 176.300 0.123 0.000 0.963 581 D CA 0.828 54.953 54.000 0.209 0.000 0.864 581 D CB -0.211 40.631 40.800 0.071 0.000 1.009 581 D HN 0.192 nan 8.370 nan 0.000 0.479 582 K N 1.122 121.562 120.400 0.067 0.000 2.057 582 K HA -0.087 -5.503 4.320 -16.227 0.000 0.206 582 K C 2.144 178.710 176.600 -0.056 0.000 1.050 582 K CA 1.383 57.673 56.287 0.005 0.000 0.935 582 K CB -0.283 32.212 32.500 -0.007 0.000 0.715 582 K HN 0.051 nan 8.250 nan 0.000 0.439 583 G N 0.316 109.103 108.800 -0.021 0.000 2.513 583 G HA2 -0.334 -6.110 3.960 -16.227 0.000 0.219 583 G HA3 -0.334 -6.110 3.960 -16.227 0.000 0.219 583 G C 1.534 176.402 174.900 -0.055 0.000 1.160 583 G CA 1.255 46.320 45.100 -0.057 0.000 0.767 583 G HN 0.421 nan 8.290 nan 0.000 0.571 584 S N -0.072 115.653 115.700 0.042 0.000 2.382 584 S HA -0.092 -5.358 4.470 -16.227 0.000 0.228 584 S C 2.313 176.901 174.600 -0.021 0.000 1.027 584 S CA 1.664 59.907 58.200 0.072 0.000 0.991 584 S CB -0.246 63.077 63.200 0.204 0.000 0.823 584 S HN 0.400 nan 8.310 nan 0.000 0.469 585 E N 0.690 120.868 120.200 -0.036 0.000 2.106 585 E HA -0.036 -5.423 4.350 -16.227 0.000 0.192 585 E C 2.264 178.642 176.600 -0.369 0.000 0.984 585 E CA 0.820 57.126 56.400 -0.157 0.000 0.806 585 E CB -0.601 29.020 29.700 -0.132 0.000 0.750 585 E HN 0.430 nan 8.360 nan 0.000 0.458 586 V N 1.460 121.120 119.914 -0.424 0.000 2.343 586 V HA -0.244 -5.860 4.120 -16.227 0.000 0.247 586 V C 2.368 178.243 176.094 -0.365 0.000 1.051 586 V CA 1.356 63.303 62.300 -0.589 0.000 1.036 586 V CB -0.394 31.050 31.823 -0.633 0.000 0.654 586 V HN 0.251 nan 8.190 nan 0.000 0.451 587 M N -0.562 118.911 119.600 -0.211 0.000 2.175 587 M HA -0.114 -5.370 4.480 -16.227 0.000 0.264 587 M C 2.279 178.344 176.300 -0.393 0.000 1.063 587 M CA 1.546 56.797 55.300 -0.083 0.000 1.119 587 M CB -1.269 31.261 32.600 -0.116 0.000 1.377 587 M HN 0.282 nan 8.290 nan 0.000 0.415 588 R N 0.090 120.245 120.500 -0.574 0.000 2.115 588 R HA -0.048 -5.444 4.340 -16.227 0.000 0.230 588 R C 2.086 178.182 176.300 -0.339 0.000 1.111 588 R CA 1.014 56.767 56.100 -0.577 0.000 0.976 588 R CB -0.043 30.117 30.300 -0.234 0.000 0.870 588 R HN 0.297 nan 8.270 nan 0.000 0.445 589 M N -0.399 119.000 119.600 -0.335 0.000 2.213 589 M HA -0.187 -5.443 4.480 -16.227 0.000 0.263 589 M C 1.484 177.635 176.300 -0.248 0.000 1.062 589 M CA 1.482 56.603 55.300 -0.298 0.000 1.105 589 M CB -0.198 32.164 32.600 -0.396 0.000 1.385 589 M HN 0.158 nan 8.290 nan 0.000 0.417 590 Y N 0.057 120.241 120.300 -0.194 0.000 2.165 590 Y HA -0.268 4.012 4.550 -0.451 0.000 0.286 590 Y C 2.220 178.088 175.900 -0.052 0.000 1.155 590 Y CA 1.399 59.417 58.100 -0.138 0.000 1.164 590 Y CB -0.778 37.742 38.460 0.100 0.000 0.978 590 Y HN 0.171 nan 8.280 nan 0.000 0.513 591 L N -0.548 120.600 121.223 -0.124 0.000 2.056 591 L HA -0.163 -5.559 4.340 -16.227 0.000 0.207 591 L C 2.133 178.974 176.870 -0.049 0.000 1.078 591 L CA 2.214 56.884 54.840 -0.283 0.000 0.749 591 L CB -1.200 40.497 42.059 -0.603 0.000 0.901 591 L HN 0.153 nan 8.230 nan 0.000 0.433 592 T N 0.021 114.537 114.554 -0.063 0.000 2.746 592 T HA -0.153 -5.540 4.350 -16.227 0.000 0.267 592 T C 1.970 176.697 174.700 0.045 0.000 1.039 592 T CA 2.143 64.238 62.100 -0.009 0.000 1.142 592 T CB -0.346 68.501 68.868 -0.035 0.000 0.866 592 T HN 0.340 nan 8.240 nan 0.000 0.444 593 I N 0.344 120.935 120.570 0.035 0.000 2.252 593 I HA -0.062 -5.629 4.170 -16.227 0.000 0.245 593 I C 2.073 178.293 176.117 0.172 0.000 1.102 593 I CA 1.191 62.548 61.300 0.095 0.000 1.385 593 I CB -0.211 37.760 38.000 -0.047 0.000 1.064 593 I HN 0.177 nan 8.210 nan 0.000 0.414 594 L N -0.165 121.170 121.223 0.187 0.000 2.307 594 L HA 0.275 -5.121 4.340 -16.227 0.000 0.211 594 L C 1.117 178.134 176.870 0.245 0.000 1.099 594 L CA 0.288 55.273 54.840 0.242 0.000 0.816 594 L CB -0.622 41.631 42.059 0.323 0.000 0.952 594 L HN 0.422 nan 8.230 nan 0.000 0.455 595 G N 0.489 109.409 108.800 0.200 0.000 2.781 595 G HA2 -0.279 -6.055 3.960 -16.227 0.000 0.683 595 G HA3 -0.279 -6.055 3.960 -16.227 0.000 0.683 595 G C 0.295 175.325 174.900 0.216 0.000 1.390 595 G CA 0.131 45.339 45.100 0.181 0.000 0.850 595 G HN 0.258 nan 8.290 nan 0.000 0.557 596 E N -0.415 119.874 120.200 0.149 0.000 2.051 596 E HA -0.171 -5.557 4.350 -16.227 0.000 0.192 596 E C 2.120 178.768 176.600 0.081 0.000 0.991 596 E CA 1.620 58.094 56.400 0.124 0.000 0.799 596 E CB -0.098 29.622 29.700 0.032 0.000 0.748 596 E HN 0.643 nan 8.360 nan 0.000 0.449 597 E N -0.694 119.520 120.200 0.022 0.000 2.038 597 E HA -0.220 -5.606 4.350 -16.227 0.000 0.195 597 E C 1.892 178.415 176.600 -0.128 0.000 1.000 597 E CA 1.406 57.740 56.400 -0.111 0.000 0.803 597 E CB -0.148 29.436 29.700 -0.193 0.000 0.750 597 E HN 0.376 nan 8.360 nan 0.000 0.448 598 Y N -1.076 119.262 120.300 0.063 0.000 2.314 598 Y HA -0.162 -5.352 4.550 -16.233 0.000 0.293 598 Y C 2.102 178.062 175.900 0.099 0.000 1.129 598 Y CA 1.286 59.425 58.100 0.064 0.000 1.201 598 Y CB -0.434 38.068 38.460 0.070 0.000 0.999 598 Y HN 0.261 nan 8.280 nan 0.000 0.541 599 Y N 1.252 121.667 120.300 0.191 0.000 2.128 599 Y HA -0.266 -5.485 4.550 -16.281 0.000 0.284 599 Y C 2.139 178.151 175.900 0.186 0.000 1.154 599 Y CA 1.721 59.929 58.100 0.181 0.000 1.149 599 Y CB -0.340 38.247 38.460 0.212 0.000 0.976 599 Y HN -0.065 nan 8.280 nan 0.000 0.505 600 K N 0.155 120.593 120.400 0.064 0.000 2.103 600 K HA -0.200 -5.616 4.320 -16.227 0.000 0.207 600 K C 2.099 178.689 176.600 -0.017 0.000 1.048 600 K CA 1.852 58.123 56.287 -0.027 0.000 0.930 600 K CB -0.140 32.277 32.500 -0.137 0.000 0.716 600 K HN 0.333 nan 8.250 nan 0.000 0.444 601 K N -0.186 120.188 120.400 -0.044 0.000 2.026 601 K HA -0.114 -5.531 4.320 -16.227 0.000 0.208 601 K C 2.297 178.871 176.600 -0.044 0.000 1.048 601 K CA 1.433 57.692 56.287 -0.046 0.000 0.929 601 K CB -0.281 32.184 32.500 -0.058 0.000 0.713 601 K HN 0.262 nan 8.250 nan 0.000 0.439 602 G N 0.680 109.437 108.800 -0.072 0.000 2.422 602 G HA2 -0.259 -6.035 3.960 -16.227 0.000 0.218 602 G HA3 -0.259 -6.035 3.960 -16.227 0.000 0.218 602 G C 1.355 176.113 174.900 -0.236 0.000 1.146 602 G CA 0.356 45.351 45.100 -0.176 0.000 0.769 602 G HN 0.227 nan 8.290 nan 0.000 0.547 603 F N 1.472 121.201 119.950 -0.369 0.000 2.146 603 F HA -0.025 -5.249 4.527 -16.251 0.000 0.298 603 F C 2.222 177.997 175.800 -0.042 0.000 1.096 603 F CA 1.786 59.647 58.000 -0.233 0.000 1.275 603 F CB -0.069 38.803 39.000 -0.212 0.000 1.008 603 F HN 0.186 nan 8.300 nan 0.000 0.480 604 D N 0.368 120.838 120.400 0.116 0.000 2.144 604 D HA -0.195 -5.292 4.640 -16.227 0.000 0.199 604 D C 2.260 178.525 176.300 -0.058 0.000 0.984 604 D CA 1.623 55.647 54.000 0.039 0.000 0.834 604 D CB -0.265 40.561 40.800 0.043 0.000 0.955 604 D HN 0.405 nan 8.370 nan 0.000 0.465 605 I N -0.287 120.242 120.570 -0.069 0.000 2.163 605 I HA -0.300 -5.867 4.170 -16.227 0.000 0.243 605 I C 2.102 178.176 176.117 -0.071 0.000 1.085 605 I CA 1.079 62.337 61.300 -0.069 0.000 1.347 605 I CB -0.412 37.540 38.000 -0.080 0.000 1.044 605 I HN 0.141 nan 8.210 nan 0.000 0.408 606 Y N 1.627 121.762 120.300 -0.275 0.000 2.145 606 Y HA -0.260 -5.417 4.550 -16.178 0.000 0.286 606 Y C 2.412 178.179 175.900 -0.222 0.000 1.145 606 Y CA 1.590 59.524 58.100 -0.278 0.000 1.148 606 Y CB -0.126 38.074 38.460 -0.434 0.000 0.981 606 Y HN -0.018 nan 8.280 nan 0.000 0.507 607 I N 0.694 121.028 120.570 -0.392 0.000 2.202 607 I HA -0.271 -5.838 4.170 -16.227 0.000 0.242 607 I C 2.238 178.228 176.117 -0.211 0.000 1.091 607 I CA 1.584 62.669 61.300 -0.358 0.000 1.368 607 I CB -1.253 36.619 38.000 -0.212 0.000 1.058 607 I HN 0.268 nan 8.210 nan 0.000 0.410 608 K N 0.605 120.925 120.400 -0.134 0.000 2.097 608 K HA -0.211 -5.627 4.320 -16.227 0.000 0.206 608 K C 2.133 178.678 176.600 -0.091 0.000 1.049 608 K CA 1.317 57.555 56.287 -0.081 0.000 0.933 608 K CB -0.101 32.368 32.500 -0.053 0.000 0.717 608 K HN 0.181 nan 8.250 nan 0.000 0.442 609 K N 0.433 120.767 120.400 -0.110 0.000 2.228 609 K HA -0.009 -5.425 4.320 -16.227 0.000 0.202 609 K C 1.100 177.622 176.600 -0.129 0.000 1.051 609 K CA 0.890 57.125 56.287 -0.087 0.000 0.960 609 K CB 0.322 32.802 32.500 -0.034 0.000 0.743 609 K HN 0.109 nan 8.250 nan 0.000 0.458 610 N N 0.420 118.985 118.700 -0.225 0.000 2.171 610 N HA -0.073 -5.069 4.740 -16.227 0.000 0.212 610 N C 0.406 175.788 175.510 -0.212 0.000 1.184 610 N CA 0.133 53.035 53.050 -0.246 0.000 0.888 610 N CB 0.530 38.781 38.487 -0.394 0.000 1.038 610 N HN 0.149 nan 8.380 nan 0.000 0.517 611 D N 1.741 122.034 120.400 -0.179 0.000 2.157 611 D HA -0.149 -5.246 4.640 -16.227 0.000 0.191 611 D C 1.577 177.812 176.300 -0.108 0.000 1.004 611 D CA 1.395 55.320 54.000 -0.125 0.000 0.854 611 D CB -0.250 40.509 40.800 -0.069 0.000 0.936 611 D HN 0.337 nan 8.370 nan 0.000 0.446 612 G N -0.821 107.926 108.800 -0.088 0.000 3.284 612 G HA2 0.070 -5.707 3.960 -16.227 0.000 0.236 612 G HA3 0.070 -5.707 3.960 -16.227 0.000 0.236 612 G C 0.352 175.215 174.900 -0.061 0.000 1.158 612 G CA -0.324 44.733 45.100 -0.071 0.000 0.774 612 G HN 0.157 nan 8.290 nan 0.000 0.545 613 N N -0.064 118.592 118.700 -0.072 0.000 2.509 613 N HA 0.317 -4.679 4.740 -16.227 0.000 0.280 613 N C -0.282 175.195 175.510 -0.054 0.000 1.306 613 N CA -0.382 52.635 53.050 -0.055 0.000 0.782 613 N CB 1.350 39.804 38.487 -0.055 0.000 1.493 613 N HN 0.091 nan 8.380 nan 0.000 0.498 614 T N -1.504 113.028 114.554 -0.037 0.000 2.860 614 T HA 0.698 -4.689 4.350 -16.227 0.000 0.299 614 T C 0.066 174.743 174.700 -0.038 0.000 1.045 614 T CA -0.548 61.530 62.100 -0.036 0.000 1.071 614 T CB 1.083 69.928 68.868 -0.039 0.000 0.985 614 T HN 0.615 nan 8.240 nan 0.000 0.537 615 A N 1.188 123.998 122.820 -0.018 0.000 2.569 615 A HA 0.882 -4.534 4.320 -16.227 0.000 0.290 615 A C 0.160 177.755 177.584 0.018 0.000 1.136 615 A CA -0.685 51.365 52.037 0.022 0.000 0.710 615 A CB 1.469 20.534 19.000 0.108 0.000 1.303 615 A HN 1.360 nan 8.150 nan 0.000 0.413 616 T N -3.126 111.446 114.554 0.031 0.000 2.926 616 T HA 0.424 -4.962 4.350 -16.227 0.000 0.289 616 T C 0.957 175.669 174.700 0.020 0.000 1.054 616 T CA 0.032 62.133 62.100 0.002 0.000 1.015 616 T CB 0.736 69.575 68.868 -0.049 0.000 1.167 616 T HN 0.721 nan 8.240 nan 0.000 0.526 617 C N 0.458 119.724 119.300 -0.058 0.000 2.413 617 C HA -0.022 -5.299 4.460 -16.227 0.000 0.277 617 C C 2.686 177.541 174.990 -0.225 0.000 1.265 617 C CA 0.908 59.788 59.018 -0.231 0.000 1.752 617 C CB -1.443 25.962 27.740 -0.557 0.000 1.998 617 C HN 1.017 nan 8.230 nan 0.000 0.489 618 E N 1.149 121.268 120.200 -0.135 0.000 2.118 618 E HA -0.165 -5.551 4.350 -16.227 0.000 0.195 618 E C 1.663 178.294 176.600 0.051 0.000 0.992 618 E CA 1.283 57.659 56.400 -0.040 0.000 0.804 618 E CB -0.305 29.381 29.700 -0.023 0.000 0.741 618 E HN 0.591 nan 8.360 nan 0.000 0.458 619 D N -0.437 120.006 120.400 0.071 0.000 2.117 619 D HA -0.159 -5.255 4.640 -16.227 0.000 0.197 619 D C 1.670 178.109 176.300 0.232 0.000 0.987 619 D CA 0.772 54.863 54.000 0.152 0.000 0.829 619 D CB -0.256 40.651 40.800 0.179 0.000 0.961 619 D HN 0.156 nan 8.370 nan 0.000 0.460 620 F N 1.537 121.474 119.950 -0.022 0.000 2.128 620 F HA -0.130 -5.444 4.527 -16.402 0.000 0.295 620 F C 2.109 177.769 175.800 -0.233 0.000 1.100 620 F CA 1.097 58.920 58.000 -0.295 0.000 1.260 620 F CB -0.222 38.471 39.000 -0.512 0.000 1.009 620 F HN -0.169 nan 8.300 nan 0.000 0.476 621 N N -0.820 117.901 118.700 0.036 0.000 2.149 621 N HA -0.297 -5.293 4.740 -16.227 0.000 0.188 621 N C 1.879 177.373 175.510 -0.026 0.000 1.019 621 N CA 1.653 54.731 53.050 0.046 0.000 0.857 621 N CB -0.601 38.017 38.487 0.218 0.000 0.997 621 N HN 0.483 nan 8.380 nan 0.000 0.426 622 Y N 0.510 120.760 120.300 -0.083 0.000 2.145 622 Y HA -0.083 -5.273 4.550 -16.233 0.000 0.286 622 Y C 2.210 178.039 175.900 -0.118 0.000 1.145 622 Y CA 1.854 59.918 58.100 -0.061 0.000 1.148 622 Y CB -0.723 37.721 38.460 -0.026 0.000 0.981 622 Y HN 0.136 nan 8.280 nan 0.000 0.507 623 A N 0.358 123.087 122.820 -0.152 0.000 1.933 623 A HA -0.194 -5.610 4.320 -16.227 0.000 0.218 623 A C 2.165 179.508 177.584 -0.402 0.000 1.175 623 A CA 2.016 53.880 52.037 -0.289 0.000 0.628 623 A CB -0.653 18.188 19.000 -0.265 0.000 0.814 623 A HN 0.526 nan 8.150 nan 0.000 0.444 624 M N -0.886 118.397 119.600 -0.529 0.000 2.254 624 M HA -0.079 -5.335 4.480 -16.227 0.000 0.265 624 M C 2.002 178.185 176.300 -0.195 0.000 1.066 624 M CA 1.537 56.564 55.300 -0.455 0.000 1.123 624 M CB -1.178 30.945 32.600 -0.795 0.000 1.388 624 M HN 0.698 nan 8.290 nan 0.000 0.425 625 E N 0.133 120.223 120.200 -0.183 0.000 2.106 625 E HA -0.210 -5.597 4.350 -16.227 0.000 0.192 625 E C 1.931 178.490 176.600 -0.070 0.000 0.984 625 E CA 0.973 57.336 56.400 -0.063 0.000 0.806 625 E CB 0.278 29.936 29.700 -0.069 0.000 0.750 625 E HN 0.384 nan 8.360 nan 0.000 0.458 626 Q N 0.110 119.772 119.800 -0.230 0.000 2.084 626 Q HA -0.135 -5.531 4.340 -16.227 0.000 0.202 626 Q C 2.114 178.078 176.000 -0.060 0.000 0.978 626 Q CA 1.501 57.190 55.803 -0.190 0.000 0.844 626 Q CB -0.595 27.977 28.738 -0.277 0.000 0.898 626 Q HN 0.373 nan 8.270 nan 0.000 0.426 627 A N -0.106 122.696 122.820 -0.031 0.000 1.930 627 A HA -0.196 -5.612 4.320 -16.227 0.000 0.217 627 A C 2.010 179.633 177.584 0.065 0.000 1.175 627 A CA 1.281 53.368 52.037 0.082 0.000 0.627 627 A CB -0.779 18.277 19.000 0.094 0.000 0.815 627 A HN 0.378 nan 8.150 nan 0.000 0.443 628 Y N 0.716 120.974 120.300 -0.070 0.000 2.200 628 Y HA -0.142 -5.296 4.550 -16.174 0.000 0.290 628 Y C 2.233 178.083 175.900 -0.083 0.000 1.137 628 Y CA 2.011 60.070 58.100 -0.069 0.000 1.163 628 Y CB -0.186 38.266 38.460 -0.015 0.000 0.988 628 Y HN 0.268 nan 8.280 nan 0.000 0.518 629 K N -0.542 119.844 120.400 -0.023 0.000 2.057 629 K HA -0.208 -5.624 4.320 -16.227 0.000 0.207 629 K C 2.109 178.628 176.600 -0.135 0.000 1.049 629 K CA 2.008 58.243 56.287 -0.087 0.000 0.931 629 K CB -0.250 32.233 32.500 -0.029 0.000 0.714 629 K HN 0.383 nan 8.250 nan 0.000 0.440 630 M N 0.593 120.133 119.600 -0.100 0.000 2.175 630 M HA -0.141 -5.398 4.480 -16.227 0.000 0.264 630 M C 2.328 178.449 176.300 -0.298 0.000 1.063 630 M CA 1.359 56.622 55.300 -0.063 0.000 1.119 630 M CB -0.121 32.566 32.600 0.144 0.000 1.377 630 M HN 0.056 nan 8.290 nan 0.000 0.415 631 K N 0.567 120.575 120.400 -0.654 0.000 2.062 631 K HA -0.114 -5.530 4.320 -16.227 0.000 0.205 631 K C 1.637 177.934 176.600 -0.505 0.000 1.051 631 K CA 1.017 56.712 56.287 -0.987 0.000 0.941 631 K CB 0.200 32.140 32.500 -0.934 0.000 0.719 631 K HN 0.099 nan 8.250 nan 0.000 0.440 632 K N -0.029 120.097 120.400 -0.456 0.000 2.459 632 K HA 0.049 -5.367 4.320 -16.227 0.000 0.193 632 K C 0.676 177.151 176.600 -0.209 0.000 1.030 632 K CA 0.752 56.828 56.287 -0.352 0.000 1.026 632 K CB 0.391 32.600 32.500 -0.486 0.000 0.809 632 K HN 0.337 nan 8.250 nan 0.000 0.504 633 A N 2.696 125.407 122.820 -0.181 0.000 2.860 633 A HA -0.180 -5.596 4.320 -16.227 0.000 0.267 633 A C -0.352 177.189 177.584 -0.073 0.000 1.421 633 A CA 1.466 53.444 52.037 -0.098 0.000 0.831 633 A CB -2.030 16.930 19.000 -0.067 0.000 1.041 633 A HN 0.554 nan 8.150 nan 0.000 0.623 634 D N -1.953 118.396 120.400 -0.086 0.000 2.977 634 D HA 0.311 -4.786 4.640 -16.227 0.000 0.220 634 D C -0.135 176.142 176.300 -0.039 0.000 1.267 634 D CA -0.775 53.195 54.000 -0.050 0.000 0.884 634 D CB 0.335 41.111 40.800 -0.040 0.000 1.667 634 D HN -0.045 nan 8.370 nan 0.000 0.536 635 N N 0.256 118.946 118.700 -0.016 0.000 2.521 635 N HA -0.067 -5.063 4.740 -16.227 0.000 0.188 635 N C 1.371 176.893 175.510 0.019 0.000 1.146 635 N CA 0.453 53.502 53.050 -0.000 0.000 0.893 635 N CB 0.224 38.713 38.487 0.004 0.000 0.975 635 N HN 0.574 nan 8.380 nan 0.000 0.451 636 S N -0.792 114.920 115.700 0.020 0.000 2.478 636 S HA 0.227 -5.040 4.470 -16.227 0.000 0.222 636 S C 1.045 175.685 174.600 0.067 0.000 1.008 636 S CA -0.396 57.827 58.200 0.038 0.000 0.928 636 S CB 0.129 63.346 63.200 0.028 0.000 0.781 636 S HN 0.222 nan 8.310 nan 0.000 0.518 637 A N 2.597 125.457 122.820 0.067 0.000 2.511 637 A HA 0.527 -4.889 4.320 -16.227 0.000 0.242 637 A C 0.317 178.043 177.584 0.235 0.000 1.069 637 A CA -0.205 51.922 52.037 0.151 0.000 0.763 637 A CB -0.289 18.737 19.000 0.043 0.000 1.001 637 A HN 0.830 nan 8.150 nan 0.000 0.498 638 N N -0.448 118.437 118.700 0.308 0.000 2.774 638 N HA 0.565 -4.431 4.740 -16.227 0.000 0.264 638 N C -0.954 174.685 175.510 0.215 0.000 1.415 638 N CA -0.873 52.321 53.050 0.241 0.000 0.815 638 N CB 1.083 39.669 38.487 0.164 0.000 1.514 638 N HN 0.270 nan 8.380 nan 0.000 0.523 639 L N 0.560 121.871 121.223 0.145 0.000 3.218 639 L HA 0.387 -5.010 4.340 -16.227 0.000 0.279 639 L C 0.467 177.484 176.870 0.244 0.000 1.287 639 L CA -0.350 54.577 54.840 0.146 0.000 1.024 639 L CB -0.210 41.861 42.059 0.020 0.000 1.409 639 L HN 0.521 nan 8.230 nan 0.000 0.580 640 N N 0.622 119.446 118.700 0.206 0.000 2.120 640 N HA -0.233 -5.229 4.740 -16.227 0.000 0.188 640 N C 1.683 177.313 175.510 0.200 0.000 1.024 640 N CA 1.217 54.378 53.050 0.185 0.000 0.852 640 N CB 0.077 38.647 38.487 0.137 0.000 1.003 640 N HN 0.467 nan 8.380 nan 0.000 0.424 641 Q N -0.558 119.369 119.800 0.213 0.000 2.170 641 Q HA -0.158 -5.554 4.340 -16.227 0.000 0.203 641 Q C 1.659 177.792 176.000 0.222 0.000 0.976 641 Q CA 0.966 56.879 55.803 0.183 0.000 0.858 641 Q CB -0.125 28.717 28.738 0.173 0.000 0.907 641 Q HN 0.444 nan 8.270 nan 0.000 0.433 642 Y N 0.640 121.084 120.300 0.240 0.000 2.274 642 Y HA -0.189 -4.962 4.550 -15.539 0.000 0.290 642 Y C 1.726 177.844 175.900 0.362 0.000 1.145 642 Y CA 1.219 59.489 58.100 0.283 0.000 1.203 642 Y CB 0.023 38.587 38.460 0.173 0.000 0.984 642 Y HN 0.124 nan 8.280 nan 0.000 0.533 643 L N -0.506 120.982 121.223 0.441 0.000 2.261 643 L HA -0.274 -5.670 4.340 -16.227 0.000 0.216 643 L C 2.128 179.192 176.870 0.325 0.000 1.114 643 L CA 0.894 56.004 54.840 0.451 0.000 0.777 643 L CB -0.514 41.709 42.059 0.273 0.000 0.910 643 L HN 0.319 nan 8.230 nan 0.000 0.440 644 L N -1.971 119.312 121.223 0.100 0.000 2.191 644 L HA -0.215 -5.612 4.340 -16.227 0.000 0.212 644 L C 2.159 178.953 176.870 -0.127 0.000 1.103 644 L CA 1.339 56.148 54.840 -0.053 0.000 0.769 644 L CB -0.470 41.476 42.059 -0.189 0.000 0.908 644 L HN 0.378 nan 8.230 nan 0.000 0.438 645 W N -0.904 120.289 121.300 -0.179 0.000 2.392 645 W HA -0.177 -5.261 4.660 -16.241 0.000 0.279 645 W C 2.070 178.398 176.519 -0.318 0.000 1.225 645 W CA 0.407 57.533 57.345 -0.364 0.000 1.233 645 W CB -0.198 28.824 29.460 -0.730 0.000 1.122 645 W HN 0.034 nan 8.180 nan 0.000 0.561 646 F N -0.589 119.461 119.950 0.167 0.000 2.416 646 F HA -0.109 -5.424 4.527 -16.403 0.000 0.296 646 F C 2.513 178.380 175.800 0.112 0.000 1.099 646 F CA 1.427 59.518 58.000 0.151 0.000 1.427 646 F CB -0.614 38.490 39.000 0.173 0.000 1.079 646 F HN -0.193 nan 8.300 nan 0.000 0.536 647 S N -1.563 114.276 115.700 0.232 0.000 2.497 647 S HA 0.066 -5.200 4.470 -16.227 0.000 0.218 647 S C 0.763 175.405 174.600 0.070 0.000 1.023 647 S CA -0.429 57.861 58.200 0.149 0.000 0.913 647 S CB -0.244 63.030 63.200 0.124 0.000 0.800 647 S HN 0.323 nan 8.310 nan 0.000 0.505 648 Q N 2.786 122.591 119.800 0.009 0.000 2.278 648 Q HA 0.477 -4.919 4.340 -16.227 0.000 0.257 648 Q C -0.333 175.638 176.000 -0.048 0.000 0.928 648 Q CA -0.519 55.254 55.803 -0.050 0.000 0.932 648 Q CB 1.093 29.745 28.738 -0.143 0.000 1.221 648 Q HN 0.548 nan 8.270 nan 0.000 0.434 649 S N 2.521 118.199 115.700 -0.037 0.000 2.669 649 S HA 0.885 -4.381 4.470 -16.227 0.000 0.270 649 S C 0.228 174.776 174.600 -0.086 0.000 1.225 649 S CA 0.086 58.257 58.200 -0.048 0.000 0.991 649 S CB 1.392 64.582 63.200 -0.016 0.000 0.987 649 S HN 1.135 nan 8.310 nan 0.000 0.552 650 G N 0.315 109.055 108.800 -0.100 0.000 2.675 650 G HA2 0.056 -5.720 3.960 -16.227 0.000 0.686 650 G HA3 0.056 -5.720 3.960 -16.227 0.000 0.686 650 G C -0.574 174.228 174.900 -0.163 0.000 1.215 650 G CA -0.580 44.446 45.100 -0.123 0.000 0.777 650 G HN 1.064 nan 8.290 nan 0.000 0.638 651 T N 3.891 118.308 114.554 -0.228 0.000 2.743 651 T HA 0.593 -4.793 4.350 -16.227 0.000 0.293 651 T C -2.139 172.410 174.700 -0.253 0.000 0.945 651 T CA -0.688 61.181 62.100 -0.385 0.000 1.030 651 T CB 1.666 69.981 68.868 -0.921 0.000 0.912 651 T HN 0.491 nan 8.240 nan 0.000 0.483 652 P HA 0.248 nan 4.420 nan 0.000 0.271 652 P C -0.712 176.573 177.300 -0.025 0.000 1.218 652 P CA -0.398 62.666 63.100 -0.061 0.000 0.780 652 P CB 0.322 31.998 31.700 -0.039 0.000 0.901 653 H N -0.056 119.084 119.070 0.116 0.000 2.504 653 H HA 0.443 -4.737 4.556 -16.226 0.000 0.322 653 H C -0.500 174.931 175.328 0.172 0.000 1.055 653 H CA -0.594 55.585 56.048 0.219 0.000 1.231 653 H CB 0.703 30.611 29.762 0.243 0.000 1.417 653 H HN 0.007 nan 8.280 nan 0.000 0.472 654 V N 3.664 123.742 119.914 0.274 0.000 2.378 654 V HA 0.403 -5.213 4.120 -16.227 0.000 0.288 654 V C -0.232 175.931 176.094 0.115 0.000 1.016 654 V CA -0.679 61.725 62.300 0.173 0.000 0.840 654 V CB 1.145 33.157 31.823 0.315 0.000 0.994 654 V HN 0.938 nan 8.190 nan 0.000 0.431 655 S N 4.359 119.998 115.700 -0.103 0.000 2.600 655 S HA 0.895 -4.371 4.470 -16.227 0.000 0.300 655 S C -1.112 173.267 174.600 -0.368 0.000 1.087 655 S CA -0.655 57.518 58.200 -0.046 0.000 0.965 655 S CB 1.968 65.200 63.200 0.053 0.000 1.089 655 S HN 0.298 nan 8.310 nan 0.000 0.496 656 F N 0.219 120.196 119.950 0.044 0.000 2.576 656 F HA 0.640 -4.571 4.527 -16.230 0.000 0.313 656 F C 0.356 175.950 175.800 -0.344 0.000 1.078 656 F CA -0.722 57.193 58.000 -0.142 0.000 0.921 656 F CB 2.374 41.292 39.000 -0.135 0.000 1.232 656 F HN 0.475 nan 8.300 nan 0.000 0.459 657 K N 1.722 121.965 120.400 -0.262 0.000 2.435 657 K HA 0.628 -4.788 4.320 -16.227 0.000 0.251 657 K C -1.903 174.409 176.600 -0.481 0.000 0.954 657 K CA -1.069 55.014 56.287 -0.340 0.000 0.820 657 K CB 2.866 35.340 32.500 -0.043 0.000 1.292 657 K HN 0.484 nan 8.250 nan 0.000 0.436 658 Y N -0.011 120.373 120.300 0.140 0.000 2.536 658 Y HA 0.439 -4.748 4.550 -16.228 0.000 0.347 658 Y C -0.319 175.606 175.900 0.041 0.000 1.000 658 Y CA -1.094 57.035 58.100 0.050 0.000 1.051 658 Y CB 2.033 40.558 38.460 0.108 0.000 1.259 658 Y HN 0.585 nan 8.280 nan 0.000 0.468 659 N N 0.537 119.316 118.700 0.133 0.000 2.287 659 N HA 0.367 -4.630 4.740 -16.227 0.000 0.289 659 N C -2.412 173.253 175.510 0.259 0.000 1.066 659 N CA -0.639 52.507 53.050 0.160 0.000 0.841 659 N CB 1.412 39.949 38.487 0.083 0.000 1.599 659 N HN 0.591 nan 8.380 nan 0.000 0.476 660 Y N 2.025 122.442 120.300 0.195 0.000 2.338 660 Y HA 0.391 -4.796 4.550 -16.228 0.000 0.333 660 Y C -1.370 174.621 175.900 0.151 0.000 0.968 660 Y CA -0.938 57.314 58.100 0.252 0.000 1.123 660 Y CB 1.332 39.979 38.460 0.313 0.000 1.165 660 Y HN 0.459 nan 8.280 nan 0.000 0.452 661 D N 4.968 125.070 120.400 -0.497 0.000 2.412 661 D HA 0.348 -4.748 4.640 -16.227 0.000 0.224 661 D C 0.536 176.374 176.300 -0.771 0.000 1.093 661 D CA 0.315 54.051 54.000 -0.440 0.000 0.850 661 D CB 1.865 42.543 40.800 -0.204 0.000 1.046 661 D HN 0.858 nan 8.370 nan 0.000 0.507 662 A N 4.187 126.676 122.820 -0.552 0.000 1.933 662 A HA -0.188 -5.604 4.320 -16.227 0.000 0.218 662 A C 1.813 179.314 177.584 -0.140 0.000 1.175 662 A CA 1.341 53.204 52.037 -0.290 0.000 0.628 662 A CB -0.105 18.915 19.000 0.033 0.000 0.814 662 A HN 0.530 nan 8.150 nan 0.000 0.444 663 E N 0.095 120.227 120.200 -0.113 0.000 2.072 663 E HA -0.093 -5.479 4.350 -16.227 0.000 0.191 663 E C 1.897 178.463 176.600 -0.057 0.000 0.985 663 E CA 1.386 57.752 56.400 -0.057 0.000 0.801 663 E CB -0.140 29.535 29.700 -0.041 0.000 0.750 663 E HN 0.608 nan 8.360 nan 0.000 0.452 664 K N 0.319 120.663 120.400 -0.093 0.000 2.418 664 K HA 0.046 -5.370 4.320 -16.227 0.000 0.195 664 K C -0.216 176.361 176.600 -0.039 0.000 1.035 664 K CA 0.171 56.423 56.287 -0.058 0.000 1.003 664 K CB 0.315 32.780 32.500 -0.058 0.000 0.793 664 K HN -0.112 nan 8.250 nan 0.000 0.494 665 K N 1.303 121.652 120.400 -0.085 0.000 3.077 665 K HA -0.232 -5.649 4.320 -16.227 0.000 0.264 665 K C -0.525 176.141 176.600 0.109 0.000 1.008 665 K CA 0.813 57.119 56.287 0.031 0.000 0.740 665 K CB -1.869 30.689 32.500 0.097 0.000 1.273 665 K HN 0.456 nan 8.250 nan 0.000 0.477 666 Q N 0.332 120.138 119.800 0.010 0.000 2.330 666 Q HA 0.426 -4.971 4.340 -16.227 0.000 0.269 666 Q C -1.622 174.559 176.000 0.301 0.000 1.022 666 Q CA -0.857 55.036 55.803 0.151 0.000 0.796 666 Q CB 1.273 30.049 28.738 0.063 0.000 1.271 666 Q HN 0.229 nan 8.270 nan 0.000 0.450 667 Y N 1.664 122.166 120.300 0.336 0.000 2.364 667 Y HA 0.534 -4.653 4.550 -16.228 0.000 0.340 667 Y C -1.226 174.931 175.900 0.429 0.000 0.975 667 Y CA -0.469 57.888 58.100 0.430 0.000 1.089 667 Y CB 1.932 40.634 38.460 0.403 0.000 1.192 667 Y HN 0.546 nan 8.280 nan 0.000 0.454 668 S N 6.599 122.215 115.700 -0.140 0.000 2.502 668 S HA 0.620 -4.646 4.470 -16.227 0.000 0.304 668 S C -0.931 173.599 174.600 -0.115 0.000 1.097 668 S CA -0.673 57.514 58.200 -0.022 0.000 1.045 668 S CB 0.890 64.113 63.200 0.038 0.000 1.019 668 S HN 0.551 nan 8.310 nan 0.000 0.481 669 I N 3.097 123.781 120.570 0.190 0.000 2.354 669 I HA 0.265 -5.301 4.170 -16.227 0.000 0.286 669 I C -0.417 175.912 176.117 0.354 0.000 1.007 669 I CA -0.546 60.955 61.300 0.335 0.000 1.167 669 I CB 0.964 39.290 38.000 0.543 0.000 1.320 669 I HN 0.652 nan 8.210 nan 0.000 0.458 670 H N 6.264 125.407 119.070 0.123 0.000 2.517 670 H HA 0.600 -4.579 4.556 -16.225 0.000 0.317 670 H C -1.234 174.118 175.328 0.040 0.000 1.080 670 H CA -0.315 55.771 56.048 0.062 0.000 1.301 670 H CB 1.082 30.831 29.762 -0.022 0.000 1.425 670 H HN 0.286 nan 8.280 nan 0.000 0.471 671 V N 5.197 124.834 119.914 -0.461 0.000 2.680 671 V HA 0.308 -5.308 4.120 -16.227 0.000 0.309 671 V C -0.265 175.532 176.094 -0.495 0.000 1.052 671 V CA -1.014 61.024 62.300 -0.437 0.000 0.908 671 V CB 1.668 33.402 31.823 -0.147 0.000 1.001 671 V HN 0.896 nan 8.190 nan 0.000 0.431 672 N N 2.448 120.928 118.700 -0.366 0.000 2.225 672 N HA 0.607 -4.389 4.740 -16.227 0.000 0.298 672 N C -0.981 174.479 175.510 -0.084 0.000 1.076 672 N CA -0.671 52.268 53.050 -0.186 0.000 0.792 672 N CB 2.213 40.639 38.487 -0.102 0.000 1.498 672 N HN 0.861 nan 8.380 nan 0.000 0.474 673 Q N 1.625 121.423 119.800 -0.003 0.000 2.345 673 Q HA 0.498 -4.899 4.340 -16.227 0.000 0.268 673 Q C -1.744 174.346 176.000 0.149 0.000 1.054 673 Q CA -0.925 54.922 55.803 0.073 0.000 0.835 673 Q CB 2.418 31.185 28.738 0.049 0.000 1.339 673 Q HN 0.648 nan 8.270 nan 0.000 0.447 674 Y N 0.456 120.775 120.300 0.031 0.000 2.358 674 Y HA 0.403 -4.782 4.550 -16.225 0.000 0.324 674 Y C -1.793 174.157 175.900 0.083 0.000 1.123 674 Y CA -0.349 57.761 58.100 0.015 0.000 1.067 674 Y CB 2.320 40.763 38.460 -0.028 0.000 1.230 674 Y HN 0.793 nan 8.280 nan 0.000 0.429 675 T N 6.489 120.730 114.554 -0.522 0.000 2.779 675 T HA 0.385 -5.001 4.350 -16.227 0.000 0.280 675 T C -0.703 173.491 174.700 -0.844 0.000 0.987 675 T CA -0.935 60.866 62.100 -0.497 0.000 0.966 675 T CB 0.914 69.616 68.868 -0.276 0.000 0.933 675 T HN 0.476 nan 8.240 nan 0.000 0.442 676 K N 3.724 123.707 120.400 -0.695 0.000 2.401 676 K HA 0.195 -5.222 4.320 -16.227 0.000 0.278 676 K C -2.353 174.102 176.600 -0.242 0.000 1.018 676 K CA -1.379 54.623 56.287 -0.474 0.000 0.981 676 K CB 0.154 32.540 32.500 -0.190 0.000 0.933 676 K HN 0.296 nan 8.250 nan 0.000 0.477 677 P HA -0.078 nan 4.420 nan 0.000 0.267 677 P C -0.988 176.274 177.300 -0.063 0.000 1.200 677 P CA 0.249 63.299 63.100 -0.084 0.000 0.772 677 P CB 0.588 32.266 31.700 -0.038 0.000 0.855 678 D N -0.292 120.080 120.400 -0.047 0.000 2.958 678 D HA 0.161 -4.936 4.640 -16.227 0.000 0.306 678 D C 0.514 176.809 176.300 -0.009 0.000 1.226 678 D CA -0.409 53.574 54.000 -0.029 0.000 1.032 678 D CB -0.039 40.742 40.800 -0.033 0.000 1.400 678 D HN 0.078 nan 8.370 nan 0.000 0.587 679 E N -0.547 119.657 120.200 0.006 0.000 2.347 679 E HA -0.002 -5.388 4.350 -16.227 0.000 0.196 679 E C 0.814 177.433 176.600 0.032 0.000 1.008 679 E CA 0.549 56.963 56.400 0.023 0.000 0.852 679 E CB -0.180 29.541 29.700 0.036 0.000 0.783 679 E HN 0.361 nan 8.360 nan 0.000 0.505 680 N N 0.471 119.188 118.700 0.029 0.000 2.387 680 N HA -0.016 -5.012 4.740 -16.227 0.000 0.176 680 N C 0.026 175.550 175.510 0.022 0.000 1.022 680 N CA 0.473 53.547 53.050 0.040 0.000 0.883 680 N CB 0.409 38.927 38.487 0.051 0.000 1.019 680 N HN 0.090 nan 8.380 nan 0.000 0.435 681 Q N -0.141 119.659 119.800 0.000 0.000 2.274 681 Q HA 0.258 -5.138 4.340 -16.227 0.000 0.268 681 Q C 0.371 176.359 176.000 -0.020 0.000 1.015 681 Q CA -0.356 55.440 55.803 -0.012 0.000 0.775 681 Q CB 3.048 31.769 28.738 -0.028 0.000 1.256 681 Q HN -0.092 nan 8.270 nan 0.000 0.442 682 K N 1.978 122.371 120.400 -0.012 0.000 2.025 682 K HA -0.050 -5.466 4.320 -16.227 0.000 0.207 682 K C -0.193 176.395 176.600 -0.020 0.000 1.049 682 K CA 1.112 57.391 56.287 -0.013 0.000 0.933 682 K CB 0.434 32.931 32.500 -0.005 0.000 0.714 682 K HN 0.667 nan 8.250 nan 0.000 0.438 683 E N 1.559 121.746 120.200 -0.021 0.000 2.109 683 E HA 0.086 -5.300 4.350 -16.227 0.000 0.278 683 E C -1.091 175.482 176.600 -0.045 0.000 0.954 683 E CA -0.610 55.775 56.400 -0.026 0.000 0.779 683 E CB 0.865 30.555 29.700 -0.018 0.000 1.093 683 E HN -0.012 nan 8.360 nan 0.000 0.401 684 K N 3.460 123.822 120.400 -0.064 0.000 2.118 684 K HA 0.376 -5.041 4.320 -16.227 0.000 0.267 684 K C -0.366 176.182 176.600 -0.086 0.000 0.991 684 K CA -0.453 55.776 56.287 -0.097 0.000 0.916 684 K CB 1.534 33.944 32.500 -0.150 0.000 1.041 684 K HN 0.427 nan 8.250 nan 0.000 0.455 685 K N 2.048 122.385 120.400 -0.106 0.000 2.208 685 K HA 0.414 -5.003 4.320 -16.227 0.000 0.247 685 K C -2.457 174.063 176.600 -0.133 0.000 0.953 685 K CA -1.981 54.248 56.287 -0.096 0.000 0.837 685 K CB 1.163 33.614 32.500 -0.082 0.000 1.131 685 K HN 0.241 nan 8.250 nan 0.000 0.431 686 P HA 0.082 nan 4.420 nan 0.000 0.271 686 P C -0.815 176.381 177.300 -0.173 0.000 1.216 686 P CA 0.043 63.074 63.100 -0.115 0.000 0.771 686 P CB 0.463 32.122 31.700 -0.068 0.000 0.864 687 L N 2.461 123.536 121.223 -0.246 0.000 2.387 687 L HA 0.441 -4.955 4.340 -16.227 0.000 0.266 687 L C 0.546 177.374 176.870 -0.071 0.000 1.059 687 L CA -0.940 53.668 54.840 -0.387 0.000 0.801 687 L CB 0.586 42.079 42.059 -0.943 0.000 1.223 687 L HN 0.316 nan 8.230 nan 0.000 0.456 688 F N 3.036 122.908 119.950 -0.129 0.000 2.468 688 F HA 0.364 -4.783 4.527 -16.124 0.000 0.356 688 F C -0.178 175.826 175.800 0.340 0.000 1.167 688 F CA -0.475 57.612 58.000 0.145 0.000 1.135 688 F CB 0.138 39.290 39.000 0.252 0.000 1.197 688 F HN 0.210 nan 8.300 nan 0.000 0.569 689 I N 8.890 129.840 120.570 0.634 0.000 2.354 689 I HA 0.278 -5.288 4.170 -16.227 0.000 0.286 689 I C -2.259 174.138 176.117 0.468 0.000 1.007 689 I CA -2.242 59.397 61.300 0.565 0.000 1.167 689 I CB 1.453 39.712 38.000 0.432 0.000 1.320 689 I HN 0.362 nan 8.210 nan 0.000 0.458 690 P HA 0.320 nan 4.420 nan 0.000 0.287 690 P C -0.653 176.716 177.300 0.116 0.000 1.281 690 P CA -0.102 63.153 63.100 0.259 0.000 0.781 690 P CB 0.975 32.788 31.700 0.189 0.000 0.903 691 I N 2.184 122.724 120.570 -0.051 0.000 2.405 691 I HA 0.161 -5.405 4.170 -16.227 0.000 0.280 691 I C 0.295 176.285 176.117 -0.211 0.000 1.027 691 I CA -0.483 60.608 61.300 -0.347 0.000 1.161 691 I CB 0.988 38.655 38.000 -0.556 0.000 1.300 691 I HN 0.143 nan 8.210 nan 0.000 0.463 692 S N 5.763 121.397 115.700 -0.110 0.000 2.488 692 S HA 0.372 -4.895 4.470 -16.227 0.000 0.278 692 S C 0.087 174.659 174.600 -0.047 0.000 1.259 692 S CA -0.597 57.585 58.200 -0.029 0.000 1.061 692 S CB 0.806 64.027 63.200 0.035 0.000 0.910 692 S HN 0.491 nan 8.310 nan 0.000 0.491 693 V N 0.974 120.863 119.914 -0.043 0.000 2.876 693 V HA 1.065 -4.551 4.120 -16.227 0.000 0.312 693 V C 0.149 176.211 176.094 -0.053 0.000 1.085 693 V CA -0.754 61.510 62.300 -0.059 0.000 0.945 693 V CB 1.701 33.474 31.823 -0.083 0.000 1.017 693 V HN 0.801 nan 8.190 nan 0.000 0.428 694 G N 2.006 110.761 108.800 -0.075 0.000 2.605 694 G HA2 0.747 -5.029 3.960 -16.227 0.000 0.296 694 G HA3 0.747 -5.029 3.960 -16.227 0.000 0.296 694 G C -1.598 173.203 174.900 -0.165 0.000 1.304 694 G CA -1.044 43.996 45.100 -0.099 0.000 0.941 694 G HN 0.879 nan 8.290 nan 0.000 0.475 695 L N 1.384 122.486 121.223 -0.201 0.000 2.349 695 L HA 0.441 -4.955 4.340 -16.227 0.000 0.278 695 L C -0.714 176.025 176.870 -0.218 0.000 0.996 695 L CA -0.887 53.790 54.840 -0.271 0.000 0.825 695 L CB 1.885 43.716 42.059 -0.380 0.000 1.243 695 L HN 0.211 nan 8.230 nan 0.000 0.412 696 I N 3.046 123.490 120.570 -0.210 0.000 2.331 696 I HA 0.178 -5.388 4.170 -16.227 0.000 0.292 696 I C 0.273 176.272 176.117 -0.197 0.000 0.998 696 I CA -0.334 60.869 61.300 -0.161 0.000 1.267 696 I CB 1.408 39.344 38.000 -0.106 0.000 1.386 696 I HN 0.575 nan 8.210 nan 0.000 0.476 697 N N 9.741 128.337 118.700 -0.174 0.000 2.416 697 N HA 0.121 -4.876 4.740 -16.227 0.000 0.265 697 N C -1.696 173.713 175.510 -0.169 0.000 1.195 697 N CA -1.509 51.433 53.050 -0.181 0.000 0.943 697 N CB 1.302 39.699 38.487 -0.151 0.000 1.115 697 N HN 0.303 nan 8.380 nan 0.000 0.481 698 P HA -0.052 nan 4.420 nan 0.000 0.230 698 P C 0.396 177.602 177.300 -0.156 0.000 1.158 698 P CA 0.869 63.882 63.100 -0.145 0.000 0.769 698 P CB 0.590 32.210 31.700 -0.133 0.000 0.807 699 E N 0.679 120.787 120.200 -0.154 0.000 2.158 699 E HA -0.066 -5.452 4.350 -16.227 0.000 0.191 699 E C 1.150 177.639 176.600 -0.185 0.000 0.982 699 E CA 1.018 57.331 56.400 -0.145 0.000 0.823 699 E CB -0.351 29.282 29.700 -0.111 0.000 0.766 699 E HN 0.515 nan 8.360 nan 0.000 0.468 700 N N -1.728 116.850 118.700 -0.202 0.000 2.118 700 N HA 0.098 -4.898 4.740 -16.227 0.000 0.226 700 N C 1.105 176.452 175.510 -0.271 0.000 1.305 700 N CA 0.642 53.557 53.050 -0.225 0.000 0.890 700 N CB 0.593 38.992 38.487 -0.146 0.000 1.118 700 N HN 0.079 nan 8.380 nan 0.000 0.511 701 G N 0.403 109.045 108.800 -0.263 0.000 2.155 701 G HA2 -0.303 -6.079 3.960 -16.227 0.000 0.257 701 G HA3 -0.303 -6.079 3.960 -16.227 0.000 0.257 701 G C -0.260 174.583 174.900 -0.095 0.000 0.983 701 G CA 0.429 45.416 45.100 -0.188 0.000 0.676 701 G HN 0.358 nan 8.290 nan 0.000 0.528 702 K N 0.721 121.058 120.400 -0.106 0.000 2.098 702 K HA 0.338 -5.078 4.320 -16.227 0.000 0.257 702 K C 0.559 177.112 176.600 -0.078 0.000 0.999 702 K CA -0.544 55.697 56.287 -0.077 0.000 0.924 702 K CB 0.707 33.162 32.500 -0.075 0.000 1.028 702 K HN 0.272 nan 8.250 nan 0.000 0.466 703 E N 2.380 122.544 120.200 -0.061 0.000 2.376 703 E HA 0.002 -5.385 4.350 -16.227 0.000 0.266 703 E C 0.712 177.268 176.600 -0.073 0.000 1.009 703 E CA 0.326 56.687 56.400 -0.066 0.000 0.902 703 E CB 0.672 30.346 29.700 -0.043 0.000 0.972 703 E HN 0.454 nan 8.360 nan 0.000 0.439 704 M N 1.974 121.515 119.600 -0.098 0.000 2.461 704 M HA 0.209 -5.048 4.480 -16.227 0.000 0.255 704 M C 0.791 177.052 176.300 -0.065 0.000 1.137 704 M CA 0.430 55.673 55.300 -0.095 0.000 1.086 704 M CB 0.337 32.849 32.600 -0.146 0.000 1.356 704 M HN 0.438 nan 8.290 nan 0.000 0.487 705 I N -4.021 116.509 120.570 -0.068 0.000 3.042 705 I HA 0.583 -4.983 4.170 -16.227 0.000 0.310 705 I C -0.295 175.819 176.117 -0.006 0.000 1.117 705 I CA -1.053 60.234 61.300 -0.023 0.000 1.003 705 I CB 1.881 39.862 38.000 -0.032 0.000 1.228 705 I HN -0.282 nan 8.210 nan 0.000 0.443 706 S N 1.129 116.845 115.700 0.028 0.000 2.617 706 S HA 0.080 -5.186 4.470 -16.227 0.000 0.259 706 S C -0.111 174.511 174.600 0.037 0.000 1.301 706 S CA -0.431 57.788 58.200 0.032 0.000 0.984 706 S CB 0.500 63.727 63.200 0.045 0.000 0.954 706 S HN 0.730 nan 8.310 nan 0.000 0.572 707 Q N 0.776 120.598 119.800 0.037 0.000 2.320 707 Q HA 0.007 -5.390 4.340 -16.227 0.000 0.311 707 Q C -1.050 174.987 176.000 0.061 0.000 1.083 707 Q CA 0.704 56.532 55.803 0.042 0.000 1.001 707 Q CB -0.006 28.758 28.738 0.043 0.000 1.074 707 Q HN 0.521 nan 8.270 nan 0.000 0.379 708 T N 3.821 118.412 114.554 0.060 0.000 2.921 708 T HA 0.327 -5.059 4.350 -16.227 0.000 0.297 708 T C -1.115 173.619 174.700 0.057 0.000 1.013 708 T CA -0.639 61.513 62.100 0.087 0.000 0.990 708 T CB 1.794 70.753 68.868 0.150 0.000 1.023 708 T HN 0.469 nan 8.240 nan 0.000 0.447 709 T N 4.128 118.719 114.554 0.061 0.000 2.842 709 T HA 0.431 -4.955 4.350 -16.227 0.000 0.308 709 T C 0.221 174.932 174.700 0.018 0.000 1.041 709 T CA -0.619 61.504 62.100 0.038 0.000 0.964 709 T CB 0.173 69.086 68.868 0.076 0.000 0.972 709 T HN 0.377 nan 8.240 nan 0.000 0.460 710 L N 3.474 124.633 121.223 -0.105 0.000 2.410 710 L HA 0.285 -5.111 4.340 -16.227 0.000 0.273 710 L C 0.792 177.604 176.870 -0.097 0.000 1.144 710 L CA -0.146 54.515 54.840 -0.298 0.000 0.863 710 L CB 0.292 41.832 42.059 -0.865 0.000 1.140 710 L HN 0.561 nan 8.230 nan 0.000 0.463 711 E N 3.973 124.222 120.200 0.081 0.000 1.993 711 E HA 0.207 -5.179 4.350 -16.227 0.000 0.271 711 E C -0.763 175.939 176.600 0.170 0.000 1.008 711 E CA -0.632 55.868 56.400 0.166 0.000 0.814 711 E CB 1.305 31.097 29.700 0.154 0.000 1.098 711 E HN 0.293 nan 8.360 nan 0.000 0.407 712 L N 3.796 125.128 121.223 0.182 0.000 2.278 712 L HA 0.164 -5.232 4.340 -16.227 0.000 0.287 712 L C 0.804 177.688 176.870 0.023 0.000 1.072 712 L CA 0.557 55.516 54.840 0.199 0.000 0.819 712 L CB 0.773 42.960 42.059 0.213 0.000 1.176 712 L HN 0.437 nan 8.230 nan 0.000 0.435 713 T N 0.155 114.670 114.554 -0.065 0.000 3.043 713 T HA 0.358 -5.029 4.350 -16.227 0.000 0.272 713 T C 0.618 175.269 174.700 -0.081 0.000 0.990 713 T CA -0.259 61.750 62.100 -0.152 0.000 0.897 713 T CB 0.070 68.760 68.868 -0.297 0.000 1.111 713 T HN 0.489 nan 8.240 nan 0.000 0.529 714 K N 0.780 121.148 120.400 -0.053 0.000 2.313 714 K HA 0.448 -4.968 4.320 -16.227 0.000 0.235 714 K C 0.821 177.398 176.600 -0.038 0.000 1.035 714 K CA -0.767 55.490 56.287 -0.050 0.000 0.868 714 K CB 1.974 34.438 32.500 -0.059 0.000 1.232 714 K HN -0.015 nan 8.250 nan 0.000 0.459 715 E N 0.530 120.710 120.200 -0.034 0.000 2.160 715 E HA -0.147 -5.533 4.350 -16.227 0.000 0.195 715 E C -0.203 176.374 176.600 -0.038 0.000 0.991 715 E CA 1.127 57.514 56.400 -0.021 0.000 0.810 715 E CB 0.276 29.971 29.700 -0.007 0.000 0.742 715 E HN 0.504 nan 8.360 nan 0.000 0.466 716 S N -0.958 114.705 115.700 -0.062 0.000 2.570 716 S HA 0.528 -4.738 4.470 -16.227 0.000 0.270 716 S C -1.351 173.156 174.600 -0.156 0.000 1.149 716 S CA -1.135 56.984 58.200 -0.135 0.000 0.837 716 S CB 2.380 65.523 63.200 -0.096 0.000 1.124 716 S HN 0.067 nan 8.310 nan 0.000 0.465 717 D N -0.234 120.004 120.400 -0.271 0.000 2.623 717 D HA 0.569 -4.527 4.640 -16.227 0.000 0.241 717 D C -1.551 174.535 176.300 -0.358 0.000 1.241 717 D CA -0.038 53.766 54.000 -0.326 0.000 0.788 717 D CB 2.568 43.089 40.800 -0.466 0.000 1.413 717 D HN 0.615 nan 8.370 nan 0.000 0.429 718 T N 1.877 116.228 114.554 -0.339 0.000 2.786 718 T HA 0.522 -4.865 4.350 -16.227 0.000 0.283 718 T C -0.552 173.911 174.700 -0.395 0.000 0.992 718 T CA -0.349 61.657 62.100 -0.157 0.000 0.954 718 T CB 0.170 69.059 68.868 0.035 0.000 0.934 718 T HN 0.089 nan 8.240 nan 0.000 0.440 719 F N 2.414 122.380 119.950 0.027 0.000 2.411 719 F HA 0.556 -4.654 4.527 -16.229 0.000 0.352 719 F C 0.134 175.861 175.800 -0.122 0.000 1.123 719 F CA -0.980 56.977 58.000 -0.072 0.000 1.044 719 F CB 1.162 40.172 39.000 0.016 0.000 1.135 719 F HN 0.181 nan 8.300 nan 0.000 0.461 720 V N 4.141 123.965 119.914 -0.150 0.000 2.513 720 V HA 0.466 -5.150 4.120 -16.227 0.000 0.299 720 V C -0.653 175.258 176.094 -0.305 0.000 1.035 720 V CA -1.026 61.225 62.300 -0.081 0.000 0.889 720 V CB 1.686 33.492 31.823 -0.027 0.000 0.988 720 V HN 0.468 nan 8.190 nan 0.000 0.440 721 F N 2.549 122.623 119.950 0.206 0.000 2.518 721 F HA 0.532 -4.679 4.527 -16.230 0.000 0.323 721 F C 0.399 176.310 175.800 0.186 0.000 1.129 721 F CA -0.668 57.455 58.000 0.205 0.000 0.920 721 F CB 1.606 40.762 39.000 0.260 0.000 1.160 721 F HN 0.382 nan 8.300 nan 0.000 0.440 722 N N 2.055 120.916 118.700 0.269 0.000 2.476 722 N HA 0.263 -4.733 4.740 -16.227 0.000 0.275 722 N C -0.100 175.524 175.510 0.190 0.000 1.190 722 N CA -0.321 52.844 53.050 0.192 0.000 0.977 722 N CB 0.547 39.103 38.487 0.115 0.000 1.200 722 N HN 0.557 nan 8.380 nan 0.000 0.515 723 N N -0.075 118.713 118.700 0.147 0.000 2.740 723 N HA -0.161 -5.158 4.740 -16.227 0.000 0.248 723 N C -0.990 174.601 175.510 0.136 0.000 1.062 723 N CA 0.542 53.665 53.050 0.121 0.000 0.704 723 N CB -0.972 37.572 38.487 0.094 0.000 0.968 723 N HN 0.401 nan 8.380 nan 0.000 0.547 724 I N 0.366 121.051 120.570 0.192 0.000 2.291 724 I HA 0.203 -5.363 4.170 -16.227 0.000 0.290 724 I C 1.751 177.994 176.117 0.211 0.000 1.050 724 I CA -0.411 60.996 61.300 0.179 0.000 1.245 724 I CB 0.532 38.679 38.000 0.245 0.000 1.405 724 I HN 0.133 nan 8.210 nan 0.000 0.478 725 A N 5.700 128.579 122.820 0.097 0.000 2.015 725 A HA 0.064 -5.353 4.320 -16.227 0.000 0.219 725 A C 0.991 178.643 177.584 0.113 0.000 1.163 725 A CA 1.041 53.136 52.037 0.097 0.000 0.646 725 A CB 0.300 19.320 19.000 0.035 0.000 0.806 725 A HN 0.481 nan 8.150 nan 0.000 0.448 726 V N -1.057 118.846 119.914 -0.019 0.000 3.159 726 V HA 0.342 -5.274 4.120 -16.227 0.000 0.308 726 V C -0.728 174.965 176.094 -0.669 0.000 1.190 726 V CA -1.142 61.059 62.300 -0.165 0.000 1.037 726 V CB 2.038 33.779 31.823 -0.137 0.000 1.060 726 V HN 0.330 nan 8.190 nan 0.000 0.437 727 K N 5.338 125.193 120.400 -0.909 0.000 2.402 727 K HA 0.277 -5.139 4.320 -16.227 0.000 0.285 727 K C -2.329 173.866 176.600 -0.675 0.000 1.054 727 K CA -0.969 54.628 56.287 -1.150 0.000 1.001 727 K CB 0.733 32.881 32.500 -0.586 0.000 0.946 727 K HN 0.469 nan 8.250 nan 0.000 0.473 728 P HA 0.207 nan 4.420 nan 0.000 0.278 728 P C -0.519 176.481 177.300 -0.500 0.000 1.266 728 P CA -0.379 62.348 63.100 -0.622 0.000 0.807 728 P CB 0.915 32.139 31.700 -0.793 0.000 1.094 729 I N 2.025 122.379 120.570 -0.361 0.000 2.339 729 I HA 0.273 -5.294 4.170 -16.227 0.000 0.290 729 I C -2.062 173.882 176.117 -0.287 0.000 0.994 729 I CA -2.707 58.420 61.300 -0.290 0.000 1.191 729 I CB 1.794 39.683 38.000 -0.184 0.000 1.343 729 I HN 0.135 nan 8.210 nan 0.000 0.458 730 P HA 0.050 nan 4.420 nan 0.000 0.280 730 P C -0.570 176.634 177.300 -0.161 0.000 1.244 730 P CA -0.358 62.608 63.100 -0.224 0.000 0.784 730 P CB 1.412 32.992 31.700 -0.200 0.000 0.913 731 S N 3.867 119.495 115.700 -0.119 0.000 2.488 731 S HA 0.427 -4.839 4.470 -16.227 0.000 0.310 731 S C -0.339 174.246 174.600 -0.025 0.000 1.093 731 S CA -0.703 57.465 58.200 -0.054 0.000 1.129 731 S CB -0.922 62.256 63.200 -0.036 0.000 0.989 731 S HN 0.241 nan 8.310 nan 0.000 0.479 732 L N 4.491 125.717 121.223 0.006 0.000 2.322 732 L HA 0.612 -4.785 4.340 -16.227 0.000 0.279 732 L C -0.217 176.841 176.870 0.314 0.000 1.036 732 L CA -0.964 53.877 54.840 0.003 0.000 0.807 732 L CB 0.516 42.454 42.059 -0.202 0.000 1.226 732 L HN 0.694 nan 8.230 nan 0.000 0.433 733 F N 0.639 120.702 119.950 0.188 0.000 3.071 733 F HA -0.215 -5.429 4.527 -16.236 0.000 0.295 733 F C 0.876 176.846 175.800 0.284 0.000 0.919 733 F CA 0.170 58.308 58.000 0.230 0.000 1.050 733 F CB -1.300 37.894 39.000 0.323 0.000 1.040 733 F HN 0.547 nan 8.300 nan 0.000 0.692 734 R N 0.500 121.190 120.500 0.317 0.000 2.583 734 R HA 0.275 -5.122 4.340 -16.227 0.000 0.274 734 R C 1.497 177.938 176.300 0.235 0.000 0.998 734 R CA 0.988 57.267 56.100 0.298 0.000 1.081 734 R CB -0.050 30.344 30.300 0.157 0.000 0.940 734 R HN 0.665 nan 8.270 nan 0.000 0.413 735 G N 2.510 111.467 108.800 0.262 0.000 2.166 735 G HA2 -0.345 -6.121 3.960 -16.227 0.000 0.260 735 G HA3 -0.345 -6.121 3.960 -16.227 0.000 0.260 735 G C 0.136 175.006 174.900 -0.050 0.000 0.986 735 G CA 0.276 45.448 45.100 0.120 0.000 0.683 735 G HN 0.779 nan 8.290 nan 0.000 0.527 736 F N -0.026 119.596 119.950 -0.547 0.000 2.576 736 F HA -0.245 -5.448 4.527 -16.217 0.000 0.316 736 F C 1.407 177.061 175.800 -0.243 0.000 1.063 736 F CA 1.088 58.579 58.000 -0.848 0.000 1.093 736 F CB -1.466 36.752 39.000 -1.304 0.000 1.399 736 F HN 0.966 nan 8.300 nan 0.000 0.819 737 S N 1.397 117.026 115.700 -0.119 0.000 2.561 737 S HA 0.632 -4.634 4.470 -16.227 0.000 0.225 737 S C 0.755 175.264 174.600 -0.151 0.000 0.977 737 S CA 0.378 58.547 58.200 -0.053 0.000 0.926 737 S CB 0.270 63.526 63.200 0.093 0.000 0.769 737 S HN 1.680 nan 8.310 nan 0.000 0.533 738 A N 1.635 124.223 122.820 -0.387 0.000 2.574 738 A HA 0.681 -4.735 4.320 -16.227 0.000 0.297 738 A C -3.207 173.844 177.584 -0.889 0.000 1.062 738 A CA -1.744 50.023 52.037 -0.450 0.000 0.686 738 A CB 1.112 20.126 19.000 0.024 0.000 1.285 738 A HN 0.121 nan 8.150 nan 0.000 0.403 739 P HA 0.341 nan 4.420 nan 0.000 0.252 739 P C -0.338 176.945 177.300 -0.028 0.000 1.727 739 P CA 0.254 63.196 63.100 -0.264 0.000 1.134 739 P CB -0.150 31.493 31.700 -0.094 0.000 1.876 740 V N 0.997 120.883 119.914 -0.047 0.000 3.130 740 V HA 0.526 -5.090 4.120 -16.227 0.000 0.310 740 V C -0.982 175.135 176.094 0.037 0.000 1.158 740 V CA -1.457 60.780 62.300 -0.105 0.000 1.029 740 V CB 1.559 33.289 31.823 -0.155 0.000 1.057 740 V HN 0.026 nan 8.190 nan 0.000 0.436 741 Y N 2.083 122.353 120.300 -0.050 0.000 2.480 741 Y HA 0.559 -4.625 4.550 -16.224 0.000 0.341 741 Y C 0.542 176.560 175.900 0.197 0.000 1.031 741 Y CA -0.268 57.903 58.100 0.120 0.000 1.295 741 Y CB 0.506 38.869 38.460 -0.161 0.000 1.162 741 Y HN 0.463 nan 8.280 nan 0.000 0.523 742 I N 4.446 125.289 120.570 0.456 0.000 2.325 742 I HA 0.189 -5.377 4.170 -16.227 0.000 0.291 742 I C -0.247 176.155 176.117 0.474 0.000 1.019 742 I CA -0.240 61.327 61.300 0.445 0.000 1.302 742 I CB 0.748 39.017 38.000 0.448 0.000 1.401 742 I HN 0.524 nan 8.210 nan 0.000 0.485 743 E N 4.923 125.422 120.200 0.499 0.000 2.267 743 E HA 0.048 -5.339 4.350 -16.227 0.000 0.241 743 E C -0.041 176.859 176.600 0.501 0.000 0.950 743 E CA -0.275 56.369 56.400 0.408 0.000 0.776 743 E CB 0.672 30.566 29.700 0.323 0.000 1.207 743 E HN 0.608 nan 8.360 nan 0.000 0.436 744 D N 2.378 123.023 120.400 0.409 0.000 2.312 744 D HA -0.201 -5.297 4.640 -16.227 0.000 0.211 744 D C 0.318 176.853 176.300 0.391 0.000 0.964 744 D CA 0.377 54.603 54.000 0.377 0.000 0.877 744 D CB 0.144 41.074 40.800 0.217 0.000 0.924 744 D HN 0.167 nan 8.370 nan 0.000 0.515 745 Q N -0.379 119.601 119.800 0.300 0.000 2.457 745 Q HA -0.185 -5.582 4.340 -16.227 0.000 0.283 745 Q C -0.352 175.815 176.000 0.279 0.000 1.234 745 Q CA 0.575 56.534 55.803 0.260 0.000 0.877 745 Q CB -2.277 26.608 28.738 0.246 0.000 1.250 745 Q HN 0.534 nan 8.270 nan 0.000 0.481 746 L N 0.375 121.717 121.223 0.198 0.000 2.360 746 L HA 0.410 -4.987 4.340 -16.227 0.000 0.271 746 L C 1.378 178.285 176.870 0.061 0.000 1.057 746 L CA -0.382 54.529 54.840 0.118 0.000 0.803 746 L CB 1.169 43.258 42.059 0.050 0.000 1.207 746 L HN 0.147 nan 8.230 nan 0.000 0.445 747 T N -3.476 111.099 114.554 0.036 0.000 2.828 747 T HA 0.072 -5.314 4.350 -16.227 0.000 0.290 747 T C 0.624 175.309 174.700 -0.025 0.000 1.019 747 T CA -0.713 61.393 62.100 0.010 0.000 1.031 747 T CB 0.998 69.873 68.868 0.011 0.000 1.001 747 T HN 0.484 nan 8.240 nan 0.000 0.531 748 D N -0.128 120.245 120.400 -0.045 0.000 2.178 748 D HA -0.094 -5.191 4.640 -16.227 0.000 0.201 748 D C 1.850 178.115 176.300 -0.058 0.000 0.980 748 D CA 1.097 55.046 54.000 -0.085 0.000 0.842 748 D CB -0.198 40.535 40.800 -0.112 0.000 0.948 748 D HN 0.861 nan 8.370 nan 0.000 0.472 749 E N 0.805 120.986 120.200 -0.032 0.000 2.058 749 E HA -0.214 -5.600 4.350 -16.227 0.000 0.194 749 E C 1.656 178.242 176.600 -0.024 0.000 0.997 749 E CA 1.037 57.425 56.400 -0.020 0.000 0.801 749 E CB 0.130 29.822 29.700 -0.012 0.000 0.746 749 E HN 0.335 nan 8.360 nan 0.000 0.450 750 E N -0.036 120.146 120.200 -0.030 0.000 2.077 750 E HA -0.174 -5.560 4.350 -16.227 0.000 0.193 750 E C 2.313 178.888 176.600 -0.042 0.000 0.989 750 E CA 0.920 57.296 56.400 -0.041 0.000 0.800 750 E CB -0.029 29.641 29.700 -0.051 0.000 0.746 750 E HN 0.189 nan 8.360 nan 0.000 0.452 751 R N 0.389 120.860 120.500 -0.049 0.000 2.096 751 R HA -0.092 -5.489 4.340 -16.227 0.000 0.235 751 R C 2.377 178.650 176.300 -0.045 0.000 1.127 751 R CA 1.035 57.099 56.100 -0.060 0.000 0.968 751 R CB -0.286 29.955 30.300 -0.099 0.000 0.861 751 R HN 0.191 nan 8.270 nan 0.000 0.440 752 I N 0.678 121.228 120.570 -0.033 0.000 2.226 752 I HA -0.287 -5.853 4.170 -16.227 0.000 0.245 752 I C 2.376 178.477 176.117 -0.027 0.000 1.100 752 I CA 1.095 62.393 61.300 -0.003 0.000 1.374 752 I CB -0.178 37.831 38.000 0.015 0.000 1.057 752 I HN 0.163 nan 8.210 nan 0.000 0.413 753 L N 0.312 121.533 121.223 -0.003 0.000 2.046 753 L HA -0.220 -5.616 4.340 -16.227 0.000 0.208 753 L C 2.458 179.361 176.870 0.055 0.000 1.077 753 L CA 1.468 56.344 54.840 0.061 0.000 0.747 753 L CB -0.119 41.982 42.059 0.070 0.000 0.896 753 L HN 0.191 nan 8.230 nan 0.000 0.432 754 L N -1.168 120.061 121.223 0.011 0.000 2.017 754 L HA -0.250 -5.646 4.340 -16.227 0.000 0.208 754 L C 2.511 179.385 176.870 0.007 0.000 1.073 754 L CA 0.921 55.766 54.840 0.008 0.000 0.745 754 L CB -0.636 41.413 42.059 -0.016 0.000 0.894 754 L HN 0.317 nan 8.230 nan 0.000 0.432 755 L N 0.119 121.344 121.223 0.004 0.000 2.043 755 L HA -0.250 -5.646 4.340 -16.227 0.000 0.212 755 L C 2.410 179.284 176.870 0.008 0.000 1.075 755 L CA 1.919 56.790 54.840 0.052 0.000 0.752 755 L CB -0.454 41.648 42.059 0.072 0.000 0.891 755 L HN 0.118 nan 8.230 nan 0.000 0.432 756 K N -2.250 118.043 120.400 -0.178 0.000 2.076 756 K HA -0.046 -5.462 4.320 -16.227 0.000 0.204 756 K C 1.390 177.695 176.600 -0.493 0.000 1.051 756 K CA 1.502 57.505 56.287 -0.473 0.000 0.949 756 K CB -0.044 31.794 32.500 -1.104 0.000 0.726 756 K HN 0.314 nan 8.250 nan 0.000 0.443 757 Y N 0.021 120.334 120.300 0.021 0.000 2.432 757 Y HA 0.194 -4.993 4.550 -16.228 0.000 0.252 757 Y C 0.311 176.200 175.900 -0.019 0.000 1.097 757 Y CA -1.178 56.921 58.100 -0.001 0.000 1.250 757 Y CB 0.243 38.682 38.460 -0.034 0.000 1.245 757 Y HN -0.071 nan 8.280 nan 0.000 0.522 758 D N 0.230 120.683 120.400 0.087 0.000 2.382 758 D HA -0.001 -5.098 4.640 -16.227 0.000 0.240 758 D C 1.378 177.686 176.300 0.014 0.000 1.146 758 D CA 0.726 54.749 54.000 0.039 0.000 0.897 758 D CB 1.407 42.218 40.800 0.018 0.000 1.197 758 D HN 0.179 nan 8.370 nan 0.000 0.432 759 S N 1.175 116.877 115.700 0.005 0.000 2.470 759 S HA -0.056 -5.323 4.470 -16.227 0.000 0.225 759 S C 0.577 175.166 174.600 -0.018 0.000 1.006 759 S CA -0.055 58.140 58.200 -0.010 0.000 0.934 759 S CB 0.095 63.292 63.200 -0.004 0.000 0.778 759 S HN 0.504 nan 8.310 nan 0.000 0.517 760 D N 0.932 121.335 120.400 0.006 0.000 2.280 760 D HA 0.665 -4.431 4.640 -16.227 0.000 0.243 760 D C 1.031 177.346 176.300 0.024 0.000 1.129 760 D CA 0.218 54.240 54.000 0.038 0.000 0.848 760 D CB 1.373 42.233 40.800 0.100 0.000 1.107 760 D HN 0.125 nan 8.370 nan 0.000 0.471 761 A N 3.992 126.809 122.820 -0.005 0.000 1.883 761 A HA -0.201 -5.618 4.320 -16.227 0.000 0.217 761 A C 1.903 179.571 177.584 0.140 0.000 1.186 761 A CA 1.200 53.211 52.037 -0.042 0.000 0.624 761 A CB -0.926 18.036 19.000 -0.063 0.000 0.822 761 A HN 0.751 nan 8.150 nan 0.000 0.444 762 F N 0.903 120.897 119.950 0.072 0.000 2.095 762 F HA -0.164 -5.368 4.527 -16.218 0.000 0.298 762 F C 2.199 178.144 175.800 0.240 0.000 1.104 762 F CA 2.056 60.141 58.000 0.141 0.000 1.232 762 F CB -0.507 38.574 39.000 0.135 0.000 0.987 762 F HN 0.018 nan 8.300 nan 0.000 0.475 763 V N 1.223 121.124 119.914 -0.021 0.000 2.407 763 V HA -0.296 -5.912 4.120 -16.227 0.000 0.248 763 V C 2.502 178.531 176.094 -0.107 0.000 1.055 763 V CA 2.246 64.469 62.300 -0.129 0.000 1.049 763 V CB -0.772 31.087 31.823 0.060 0.000 0.662 763 V HN 0.312 nan 8.190 nan 0.000 0.455 764 R N -0.876 119.639 120.500 0.025 0.000 2.070 764 R HA -0.190 -5.586 4.340 -16.227 0.000 0.233 764 R C 2.381 178.794 176.300 0.189 0.000 1.137 764 R CA 2.087 58.269 56.100 0.137 0.000 0.945 764 R CB -0.666 29.763 30.300 0.215 0.000 0.845 764 R HN 0.648 nan 8.270 nan 0.000 0.430 765 Y N 1.975 122.338 120.300 0.105 0.000 2.165 765 Y HA -0.289 -5.476 4.550 -16.227 0.000 0.286 765 Y C 2.083 177.842 175.900 -0.235 0.000 1.155 765 Y CA 1.922 59.996 58.100 -0.043 0.000 1.164 765 Y CB -0.313 38.123 38.460 -0.040 0.000 0.978 765 Y HN 0.010 nan 8.280 nan 0.000 0.513 766 N N -0.302 118.137 118.700 -0.434 0.000 2.216 766 N HA -0.147 -5.143 4.740 -16.227 0.000 0.183 766 N C 1.840 177.171 175.510 -0.298 0.000 1.017 766 N CA 1.563 54.293 53.050 -0.533 0.000 0.861 766 N CB -0.333 37.678 38.487 -0.792 0.000 0.986 766 N HN 0.373 nan 8.380 nan 0.000 0.428 767 S N -0.690 114.886 115.700 -0.207 0.000 2.356 767 S HA -0.159 -5.426 4.470 -16.227 0.000 0.223 767 S C 2.255 176.749 174.600 -0.177 0.000 1.032 767 S CA 1.079 59.196 58.200 -0.138 0.000 1.005 767 S CB -0.804 62.348 63.200 -0.079 0.000 0.867 767 S HN 0.616 nan 8.310 nan 0.000 0.449 768 C N 1.777 120.988 119.300 -0.149 0.000 2.413 768 C HA -0.140 -5.416 4.460 -16.227 0.000 0.276 768 C C 2.876 177.745 174.990 -0.202 0.000 1.236 768 C CA 1.734 60.664 59.018 -0.147 0.000 1.735 768 C CB -1.698 26.027 27.740 -0.025 0.000 2.031 768 C HN 0.605 nan 8.230 nan 0.000 0.474 769 T N 1.507 115.917 114.554 -0.240 0.000 2.665 769 T HA -0.170 -5.557 4.350 -16.227 0.000 0.268 769 T C 1.536 176.161 174.700 -0.125 0.000 1.035 769 T CA 2.087 64.059 62.100 -0.213 0.000 1.151 769 T CB -0.488 68.095 68.868 -0.476 0.000 0.862 769 T HN 0.586 nan 8.240 nan 0.000 0.438 770 N N 0.982 119.586 118.700 -0.161 0.000 2.166 770 N HA 0.042 -4.954 4.740 -16.227 0.000 0.186 770 N C 1.902 177.295 175.510 -0.196 0.000 1.019 770 N CA 0.817 53.787 53.050 -0.132 0.000 0.856 770 N CB -0.462 37.972 38.487 -0.088 0.000 0.993 770 N HN 0.403 nan 8.380 nan 0.000 0.426 771 I N 0.111 120.476 120.570 -0.341 0.000 2.142 771 I HA -0.306 -5.872 4.170 -16.227 0.000 0.240 771 I C 1.854 177.682 176.117 -0.482 0.000 1.078 771 I CA 1.162 62.125 61.300 -0.562 0.000 1.343 771 I CB -0.380 36.957 38.000 -1.105 0.000 1.046 771 I HN 0.024 nan 8.210 nan 0.000 0.405 772 Y N 0.062 120.128 120.300 -0.389 0.000 2.114 772 Y HA -0.298 -5.485 4.550 -16.228 0.000 0.282 772 Y C 2.665 178.484 175.900 -0.135 0.000 1.165 772 Y CA 1.400 59.378 58.100 -0.203 0.000 1.148 772 Y CB -0.559 37.827 38.460 -0.124 0.000 0.972 772 Y HN 0.107 nan 8.280 nan 0.000 0.504 773 M N -0.002 119.616 119.600 0.029 0.000 2.108 773 M HA -0.235 -5.491 4.480 -16.227 0.000 0.261 773 M C 2.216 178.482 176.300 -0.056 0.000 1.066 773 M CA 1.562 56.838 55.300 -0.040 0.000 1.107 773 M CB -1.141 31.366 32.600 -0.155 0.000 1.356 773 M HN 0.223 nan 8.290 nan 0.000 0.406 774 K N -0.156 120.198 120.400 -0.077 0.000 2.063 774 K HA -0.259 -5.675 4.320 -16.227 0.000 0.208 774 K C 2.101 178.697 176.600 -0.007 0.000 1.048 774 K CA 1.752 58.006 56.287 -0.054 0.000 0.928 774 K CB -0.006 32.447 32.500 -0.078 0.000 0.713 774 K HN 0.157 nan 8.250 nan 0.000 0.442 775 Q N 1.069 120.867 119.800 -0.002 0.000 2.046 775 Q HA -0.089 -5.485 4.340 -16.227 0.000 0.200 775 Q C 1.888 177.964 176.000 0.128 0.000 0.975 775 Q CA 1.724 57.566 55.803 0.065 0.000 0.836 775 Q CB -0.170 28.614 28.738 0.076 0.000 0.896 775 Q HN 0.410 nan 8.270 nan 0.000 0.428 776 I N -0.059 120.585 120.570 0.123 0.000 2.118 776 I HA -0.331 -5.897 4.170 -16.227 0.000 0.241 776 I C 2.135 178.355 176.117 0.172 0.000 1.070 776 I CA 1.210 62.602 61.300 0.152 0.000 1.327 776 I CB -0.363 37.698 38.000 0.101 0.000 1.034 776 I HN 0.254 nan 8.210 nan 0.000 0.405 777 L N -0.526 120.758 121.223 0.102 0.000 2.046 777 L HA -0.268 -5.665 4.340 -16.227 0.000 0.208 777 L C 2.657 179.624 176.870 0.162 0.000 1.077 777 L CA 1.434 56.340 54.840 0.109 0.000 0.747 777 L CB -0.471 41.612 42.059 0.041 0.000 0.896 777 L HN 0.362 nan 8.230 nan 0.000 0.432 778 M N 0.163 119.835 119.600 0.120 0.000 2.059 778 M HA -0.250 -5.506 4.480 -16.227 0.000 0.259 778 M C 1.952 178.322 176.300 0.117 0.000 1.072 778 M CA 2.159 57.520 55.300 0.100 0.000 1.117 778 M CB -0.260 32.383 32.600 0.072 0.000 1.320 778 M HN 0.301 nan 8.290 nan 0.000 0.408 779 N N -1.196 117.600 118.700 0.161 0.000 2.166 779 N HA -0.226 -5.222 4.740 -16.227 0.000 0.186 779 N C 1.658 177.323 175.510 0.257 0.000 1.019 779 N CA 1.368 54.513 53.050 0.159 0.000 0.856 779 N CB -0.292 38.371 38.487 0.295 0.000 0.993 779 N HN 0.365 nan 8.380 nan 0.000 0.426 780 Y N 2.295 122.712 120.300 0.196 0.000 2.097 780 Y HA -0.228 -5.413 4.550 -16.226 0.000 0.282 780 Y C 1.981 177.959 175.900 0.129 0.000 1.152 780 Y CA 1.568 59.781 58.100 0.189 0.000 1.136 780 Y CB -0.247 38.286 38.460 0.121 0.000 0.975 780 Y HN 0.061 nan 8.280 nan 0.000 0.498 781 N N 0.582 119.402 118.700 0.199 0.000 2.166 781 N HA -0.173 -5.169 4.740 -16.227 0.000 0.186 781 N C 1.678 177.154 175.510 -0.056 0.000 1.019 781 N CA 1.791 54.881 53.050 0.066 0.000 0.856 781 N CB -0.336 38.217 38.487 0.111 0.000 0.993 781 N HN 0.599 nan 8.380 nan 0.000 0.426 782 E N -0.285 119.878 120.200 -0.062 0.000 2.051 782 E HA -0.110 -5.497 4.350 -16.227 0.000 0.192 782 E C 1.666 178.092 176.600 -0.290 0.000 0.991 782 E CA 0.849 57.155 56.400 -0.156 0.000 0.799 782 E CB -0.184 29.414 29.700 -0.170 0.000 0.748 782 E HN 0.233 nan 8.360 nan 0.000 0.449 783 F N 0.613 120.428 119.950 -0.225 0.000 2.134 783 F HA -0.171 -5.381 4.527 -16.227 0.000 0.299 783 F C 2.226 177.781 175.800 -0.409 0.000 1.097 783 F CA 0.825 58.624 58.000 -0.335 0.000 1.264 783 F CB -0.491 38.382 39.000 -0.211 0.000 1.001 783 F HN 0.056 nan 8.300 nan 0.000 0.479 784 L N 0.389 121.476 121.223 -0.226 0.000 2.017 784 L HA -0.185 -5.581 4.340 -16.227 0.000 0.208 784 L C 2.331 179.080 176.870 -0.202 0.000 1.073 784 L CA 1.866 56.540 54.840 -0.277 0.000 0.745 784 L CB -0.799 41.032 42.059 -0.381 0.000 0.894 784 L HN 0.036 nan 8.230 nan 0.000 0.432 785 K N -0.818 119.467 120.400 -0.192 0.000 2.063 785 K HA -0.181 -5.597 4.320 -16.227 0.000 0.208 785 K C 2.023 178.488 176.600 -0.225 0.000 1.048 785 K CA 1.374 57.562 56.287 -0.166 0.000 0.928 785 K CB -0.273 32.147 32.500 -0.135 0.000 0.713 785 K HN 0.477 nan 8.250 nan 0.000 0.442 786 A N 1.451 124.036 122.820 -0.392 0.000 1.902 786 A HA -0.228 -5.644 4.320 -16.227 0.000 0.217 786 A C 2.037 179.429 177.584 -0.321 0.000 1.181 786 A CA 1.889 53.598 52.037 -0.546 0.000 0.623 786 A CB -0.503 17.646 19.000 -1.418 0.000 0.818 786 A HN 0.361 nan 8.150 nan 0.000 0.443 787 K N -0.534 119.712 120.400 -0.256 0.000 2.002 787 K HA -0.198 -5.615 4.320 -16.227 0.000 0.209 787 K C 1.799 178.335 176.600 -0.106 0.000 1.048 787 K CA 1.654 57.854 56.287 -0.146 0.000 0.930 787 K CB -0.236 32.189 32.500 -0.125 0.000 0.714 787 K HN 0.417 nan 8.250 nan 0.000 0.438 788 N N 1.180 119.815 118.700 -0.108 0.000 2.120 788 N HA -0.147 -5.143 4.740 -16.227 0.000 0.188 788 N C 1.077 176.550 175.510 -0.062 0.000 1.024 788 N CA 1.383 54.389 53.050 -0.072 0.000 0.852 788 N CB -0.060 38.387 38.487 -0.067 0.000 1.003 788 N HN 0.381 nan 8.380 nan 0.000 0.424 789 E N 0.543 120.696 120.200 -0.078 0.000 2.489 789 E HA 0.092 -5.294 4.350 -16.227 0.000 0.193 789 E C -0.374 176.198 176.600 -0.048 0.000 1.057 789 E CA -0.078 56.288 56.400 -0.058 0.000 0.866 789 E CB 0.138 29.801 29.700 -0.061 0.000 0.916 789 E HN 0.207 nan 8.360 nan 0.000 0.500 790 K N 1.014 121.380 120.400 -0.056 0.000 3.148 790 K HA -0.193 -5.609 4.320 -16.227 0.000 0.267 790 K C -0.588 176.003 176.600 -0.016 0.000 0.996 790 K CA 0.165 56.432 56.287 -0.034 0.000 0.737 790 K CB -1.620 30.870 32.500 -0.017 0.000 1.308 790 K HN 0.249 nan 8.250 nan 0.000 0.470 791 L N 1.145 122.349 121.223 -0.031 0.000 2.416 791 L HA 0.033 -5.364 4.340 -16.227 0.000 0.272 791 L C 1.815 178.742 176.870 0.095 0.000 1.161 791 L CA -0.231 54.623 54.840 0.023 0.000 0.845 791 L CB 0.597 42.664 42.059 0.013 0.000 1.119 791 L HN 0.174 nan 8.230 nan 0.000 0.464 792 E N 1.249 121.502 120.200 0.089 0.000 2.216 792 E HA -0.018 -5.404 4.350 -16.227 0.000 0.192 792 E C 0.309 176.981 176.600 0.120 0.000 0.988 792 E CA 0.441 56.895 56.400 0.091 0.000 0.834 792 E CB 0.333 30.064 29.700 0.052 0.000 0.772 792 E HN 0.709 nan 8.360 nan 0.000 0.479 793 S N -0.421 115.370 115.700 0.151 0.000 2.550 793 S HA 0.687 -4.579 4.470 -16.227 0.000 0.270 793 S C -0.648 174.096 174.600 0.240 0.000 1.145 793 S CA -1.058 57.214 58.200 0.120 0.000 0.852 793 S CB 1.653 64.862 63.200 0.015 0.000 1.119 793 S HN 0.125 nan 8.310 nan 0.000 0.465 794 F N -1.409 118.503 119.950 -0.064 0.000 2.858 794 F HA 0.746 -4.463 4.527 -16.227 0.000 0.319 794 F C -1.550 174.176 175.800 -0.123 0.000 1.166 794 F CA -1.094 56.849 58.000 -0.094 0.000 0.899 794 F CB 0.865 39.795 39.000 -0.117 0.000 1.332 794 F HN 0.637 nan 8.300 nan 0.000 0.461 795 Q N 1.238 121.020 119.800 -0.030 0.000 2.306 795 Q HA 0.788 -4.609 4.340 -16.227 0.000 0.265 795 Q C -1.560 174.356 176.000 -0.139 0.000 1.022 795 Q CA -0.969 54.741 55.803 -0.154 0.000 0.853 795 Q CB 3.013 31.705 28.738 -0.075 0.000 1.327 795 Q HN 0.656 nan 8.270 nan 0.000 0.449 796 L N 0.897 121.966 121.223 -0.257 0.000 2.346 796 L HA 0.473 -4.923 4.340 -16.227 0.000 0.276 796 L C -0.364 176.445 176.870 -0.101 0.000 1.006 796 L CA -0.816 53.837 54.840 -0.311 0.000 0.817 796 L CB 2.145 43.734 42.059 -0.784 0.000 1.272 796 L HN 0.573 nan 8.230 nan 0.000 0.421 797 T N 3.554 118.094 114.554 -0.024 0.000 2.799 797 T HA 0.182 -5.204 4.350 -16.227 0.000 0.296 797 T C -2.311 172.508 174.700 0.198 0.000 0.947 797 T CA -0.824 61.318 62.100 0.069 0.000 1.141 797 T CB 0.497 69.401 68.868 0.059 0.000 0.891 797 T HN 0.257 nan 8.240 nan 0.000 0.533 798 P HA 0.115 nan 4.420 nan 0.000 0.270 798 P C -0.248 177.129 177.300 0.129 0.000 1.223 798 P CA -0.539 62.673 63.100 0.187 0.000 0.785 798 P CB 0.402 32.165 31.700 0.104 0.000 0.923 799 V N 2.281 122.240 119.914 0.076 0.000 2.740 799 V HA -0.014 -5.631 4.120 -16.227 0.000 0.303 799 V C 1.117 177.262 176.094 0.085 0.000 1.054 799 V CA -0.193 62.158 62.300 0.086 0.000 1.106 799 V CB -0.144 31.725 31.823 0.076 0.000 0.957 799 V HN 0.616 nan 8.190 nan 0.000 0.486 800 N N 3.289 122.049 118.700 0.099 0.000 2.411 800 N HA -0.004 -5.000 4.740 -16.227 0.000 0.265 800 N C 0.994 176.568 175.510 0.106 0.000 1.266 800 N CA 0.648 53.750 53.050 0.087 0.000 0.889 800 N CB 1.483 40.005 38.487 0.059 0.000 1.069 800 N HN 0.814 nan 8.380 nan 0.000 0.476 801 A N 4.378 127.232 122.820 0.055 0.000 1.933 801 A HA -0.181 -5.597 4.320 -16.227 0.000 0.218 801 A C 1.882 179.480 177.584 0.024 0.000 1.175 801 A CA 1.272 53.326 52.037 0.028 0.000 0.628 801 A CB -0.194 18.814 19.000 0.014 0.000 0.814 801 A HN 0.751 nan 8.150 nan 0.000 0.444 802 Q N -1.601 118.223 119.800 0.041 0.000 2.230 802 Q HA -0.006 -5.402 4.340 -16.227 0.000 0.202 802 Q C 1.664 177.701 176.000 0.062 0.000 0.963 802 Q CA 1.151 56.973 55.803 0.031 0.000 0.866 802 Q CB -0.505 28.247 28.738 0.024 0.000 0.931 802 Q HN 0.722 nan 8.270 nan 0.000 0.452 803 F N 0.595 120.498 119.950 -0.078 0.000 2.102 803 F HA -0.131 -5.341 4.527 -16.227 0.000 0.298 803 F C 1.610 177.356 175.800 -0.091 0.000 1.105 803 F CA 1.153 59.087 58.000 -0.110 0.000 1.239 803 F CB -0.348 38.561 39.000 -0.151 0.000 0.991 803 F HN 0.010 nan 8.300 nan 0.000 0.474 804 I N 0.272 120.708 120.570 -0.222 0.000 2.208 804 I HA -0.314 -5.881 4.170 -16.227 0.000 0.245 804 I C 2.089 178.090 176.117 -0.194 0.000 1.097 804 I CA 1.590 62.714 61.300 -0.292 0.000 1.363 804 I CB -0.647 37.266 38.000 -0.144 0.000 1.051 804 I HN 0.087 nan 8.210 nan 0.000 0.413 805 D N 1.015 121.354 120.400 -0.101 0.000 2.149 805 D HA -0.159 -5.255 4.640 -16.227 0.000 0.198 805 D C 2.251 178.529 176.300 -0.037 0.000 0.990 805 D CA 1.604 55.573 54.000 -0.051 0.000 0.839 805 D CB -0.105 40.679 40.800 -0.027 0.000 0.948 805 D HN 0.376 nan 8.370 nan 0.000 0.460 806 A N 0.605 123.378 122.820 -0.077 0.000 1.898 806 A HA -0.110 -5.526 4.320 -16.227 0.000 0.216 806 A C 2.384 179.952 177.584 -0.027 0.000 1.181 806 A CA 0.736 52.742 52.037 -0.052 0.000 0.620 806 A CB -0.623 18.349 19.000 -0.047 0.000 0.819 806 A HN 0.186 nan 8.150 nan 0.000 0.442 807 I N -0.399 120.056 120.570 -0.190 0.000 2.163 807 I HA -0.300 -5.866 4.170 -16.227 0.000 0.243 807 I C 2.555 178.658 176.117 -0.024 0.000 1.085 807 I CA 1.973 63.176 61.300 -0.162 0.000 1.347 807 I CB -0.289 37.523 38.000 -0.313 0.000 1.044 807 I HN 0.375 nan 8.210 nan 0.000 0.408 808 K N 0.501 120.885 120.400 -0.027 0.000 2.032 808 K HA -0.281 -5.697 4.320 -16.227 0.000 0.209 808 K C 2.408 179.046 176.600 0.062 0.000 1.048 808 K CA 1.850 58.145 56.287 0.013 0.000 0.927 808 K CB -0.379 32.115 32.500 -0.010 0.000 0.712 808 K HN 0.240 nan 8.250 nan 0.000 0.441 809 Y N 1.110 121.387 120.300 -0.037 0.000 2.114 809 Y HA -0.277 -5.463 4.550 -16.228 0.000 0.282 809 Y C 1.775 177.674 175.900 -0.001 0.000 1.165 809 Y CA 1.655 59.742 58.100 -0.022 0.000 1.148 809 Y CB -0.270 38.163 38.460 -0.045 0.000 0.972 809 Y HN 0.031 nan 8.280 nan 0.000 0.504 810 L N -0.083 121.196 121.223 0.092 0.000 2.056 810 L HA -0.212 -5.608 4.340 -16.227 0.000 0.207 810 L C 2.417 179.296 176.870 0.015 0.000 1.078 810 L CA 1.539 56.409 54.840 0.050 0.000 0.749 810 L CB -0.976 41.185 42.059 0.170 0.000 0.901 810 L HN 0.306 nan 8.230 nan 0.000 0.433 811 L N -0.977 120.264 121.223 0.031 0.000 2.131 811 L HA -0.201 -5.597 4.340 -16.227 0.000 0.210 811 L C 1.988 178.862 176.870 0.006 0.000 1.092 811 L CA 1.146 56.009 54.840 0.039 0.000 0.759 811 L CB -0.404 41.703 42.059 0.080 0.000 0.903 811 L HN 0.348 nan 8.230 nan 0.000 0.435 812 E N -0.810 119.370 120.200 -0.033 0.000 2.489 812 E HA -0.067 -5.454 4.350 -16.227 0.000 0.193 812 E C -0.025 176.520 176.600 -0.092 0.000 1.057 812 E CA -0.168 56.201 56.400 -0.051 0.000 0.866 812 E CB 0.124 29.797 29.700 -0.044 0.000 0.916 812 E HN 0.226 nan 8.360 nan 0.000 0.500 813 D N 0.865 121.192 120.400 -0.120 0.000 2.339 813 D HA 0.055 -5.042 4.640 -16.227 0.000 0.241 813 D C -1.819 174.465 176.300 -0.027 0.000 1.183 813 D CA -2.488 51.446 54.000 -0.110 0.000 0.859 813 D CB 1.388 42.081 40.800 -0.177 0.000 1.067 813 D HN -0.184 nan 8.370 nan 0.000 0.484 814 P HA -0.087 nan 4.420 nan 0.000 0.218 814 P C 0.562 177.800 177.300 -0.103 0.000 1.149 814 P CA 1.083 64.137 63.100 -0.077 0.000 0.817 814 P CB 0.183 31.803 31.700 -0.133 0.000 0.785 815 H N -0.767 118.284 119.070 -0.031 0.000 2.495 815 H HA 0.206 -4.975 4.556 -16.227 0.000 0.287 815 H C 0.954 176.273 175.328 -0.015 0.000 1.033 815 H CA 0.481 56.516 56.048 -0.021 0.000 1.307 815 H CB -0.513 29.235 29.762 -0.023 0.000 1.401 815 H HN 0.080 nan 8.280 nan 0.000 0.555 816 A N 0.851 123.730 122.820 0.098 0.000 2.425 816 A HA 0.086 -5.330 4.320 -16.227 0.000 0.249 816 A C -0.299 177.342 177.584 0.094 0.000 1.084 816 A CA -0.448 51.640 52.037 0.085 0.000 0.781 816 A CB 0.034 19.098 19.000 0.107 0.000 1.019 816 A HN 0.411 nan 8.150 nan 0.000 0.490 817 D N 1.632 122.100 120.400 0.114 0.000 2.383 817 D HA 0.402 -4.694 4.640 -16.227 0.000 0.252 817 D C 1.177 177.584 176.300 0.179 0.000 1.166 817 D CA 0.685 54.764 54.000 0.132 0.000 0.879 817 D CB 0.957 41.837 40.800 0.133 0.000 1.164 817 D HN 0.544 nan 8.370 nan 0.000 0.462 818 A N 3.431 126.314 122.820 0.107 0.000 1.902 818 A HA -0.047 -5.463 4.320 -16.227 0.000 0.217 818 A C 2.096 179.731 177.584 0.085 0.000 1.181 818 A CA 1.656 53.738 52.037 0.075 0.000 0.623 818 A CB -1.023 17.992 19.000 0.026 0.000 0.818 818 A HN 0.709 nan 8.150 nan 0.000 0.443 819 G N -1.221 107.649 108.800 0.116 0.000 2.418 819 G HA2 -0.229 -6.005 3.960 -16.227 0.000 0.217 819 G HA3 -0.229 -6.005 3.960 -16.227 0.000 0.217 819 G C 1.455 176.495 174.900 0.234 0.000 1.158 819 G CA 1.132 46.305 45.100 0.123 0.000 0.771 819 G HN 0.482 nan 8.290 nan 0.000 0.545 820 F N 1.737 121.795 119.950 0.179 0.000 2.095 820 F HA -0.048 -5.258 4.527 -16.228 0.000 0.298 820 F C 2.678 178.606 175.800 0.214 0.000 1.104 820 F CA 1.920 60.068 58.000 0.247 0.000 1.232 820 F CB -0.133 38.956 39.000 0.149 0.000 0.987 820 F HN 0.050 nan 8.300 nan 0.000 0.475 821 K N 0.070 120.542 120.400 0.120 0.000 2.103 821 K HA -0.193 -5.609 4.320 -16.227 0.000 0.207 821 K C 2.336 178.892 176.600 -0.073 0.000 1.048 821 K CA 1.751 58.033 56.287 -0.008 0.000 0.930 821 K CB -0.513 32.020 32.500 0.054 0.000 0.716 821 K HN 0.449 nan 8.250 nan 0.000 0.444 822 S N 0.130 115.784 115.700 -0.077 0.000 2.399 822 S HA -0.171 -5.437 4.470 -16.227 0.000 0.231 822 S C 1.918 176.407 174.600 -0.184 0.000 1.022 822 S CA 0.842 58.947 58.200 -0.160 0.000 0.983 822 S CB -0.488 62.583 63.200 -0.214 0.000 0.803 822 S HN 0.248 nan 8.310 nan 0.000 0.480 823 Y N 2.598 122.853 120.300 -0.075 0.000 2.220 823 Y HA 0.109 -5.076 4.550 -16.225 0.000 0.291 823 Y C 2.419 178.273 175.900 -0.078 0.000 1.129 823 Y CA 0.903 58.978 58.100 -0.042 0.000 1.161 823 Y CB -0.622 37.867 38.460 0.049 0.000 0.997 823 Y HN 0.443 nan 8.280 nan 0.000 0.522 824 I N -1.440 119.106 120.570 -0.041 0.000 2.493 824 I HA -0.110 -5.676 4.170 -16.227 0.000 0.254 824 I C 1.712 177.912 176.117 0.139 0.000 1.160 824 I CA 1.571 62.862 61.300 -0.015 0.000 1.445 824 I CB -0.705 37.184 38.000 -0.186 0.000 1.086 824 I HN 0.042 nan 8.210 nan 0.000 0.433 825 V N -1.366 118.584 119.914 0.059 0.000 3.623 825 V HA 0.286 -5.331 4.120 -16.227 0.000 0.271 825 V C 0.640 176.805 176.094 0.117 0.000 1.248 825 V CA -0.124 62.228 62.300 0.088 0.000 1.156 825 V CB -1.154 30.618 31.823 -0.085 0.000 0.870 825 V HN 0.357 nan 8.190 nan 0.000 0.453 826 S N 1.583 117.321 115.700 0.062 0.000 2.454 826 S HA 0.736 -4.530 4.470 -16.227 0.000 0.306 826 S C -0.493 173.963 174.600 -0.241 0.000 1.100 826 S CA -0.463 57.754 58.200 0.028 0.000 1.087 826 S CB 1.852 65.060 63.200 0.013 0.000 1.019 826 S HN 0.263 nan 8.310 nan 0.000 0.480 827 L N 3.599 124.571 121.223 -0.418 0.000 2.473 827 L HA 0.295 -5.101 4.340 -16.227 0.000 0.268 827 L C -1.989 174.693 176.870 -0.313 0.000 1.215 827 L CA -1.191 53.203 54.840 -0.743 0.000 0.823 827 L CB -0.758 40.900 42.059 -0.669 0.000 1.099 827 L HN 0.393 nan 8.230 nan 0.000 0.483 828 P HA -0.001 nan 4.420 nan 0.000 0.267 828 P C -0.848 176.464 177.300 0.020 0.000 1.200 828 P CA -0.277 62.765 63.100 -0.097 0.000 0.772 828 P CB 0.258 31.963 31.700 0.007 0.000 0.855 829 Q N 2.041 121.879 119.800 0.062 0.000 2.349 829 Q HA -0.065 -5.461 4.340 -16.227 0.000 0.287 829 Q C 0.900 176.990 176.000 0.151 0.000 1.044 829 Q CA 0.653 56.518 55.803 0.103 0.000 0.918 829 Q CB 0.262 29.063 28.738 0.106 0.000 1.242 829 Q HN 0.428 nan 8.270 nan 0.000 0.405 830 D N 2.061 122.528 120.400 0.111 0.000 2.158 830 D HA -0.176 -5.272 4.640 -16.227 0.000 0.197 830 D C 1.504 177.872 176.300 0.113 0.000 0.995 830 D CA 1.388 55.451 54.000 0.104 0.000 0.846 830 D CB 0.120 40.971 40.800 0.085 0.000 0.941 830 D HN 0.428 nan 8.370 nan 0.000 0.456 831 R N -0.881 119.690 120.500 0.120 0.000 2.235 831 R HA -0.080 -5.476 4.340 -16.227 0.000 0.213 831 R C 1.973 178.369 176.300 0.160 0.000 1.059 831 R CA 0.296 56.464 56.100 0.113 0.000 0.997 831 R CB -0.104 30.252 30.300 0.094 0.000 0.884 831 R HN 0.296 nan 8.270 nan 0.000 0.462 832 Y N 1.033 121.389 120.300 0.094 0.000 2.206 832 Y HA -0.040 -5.228 4.550 -16.229 0.000 0.292 832 Y C 1.873 177.945 175.900 0.287 0.000 1.123 832 Y CA 1.120 59.324 58.100 0.173 0.000 1.142 832 Y CB -0.062 38.486 38.460 0.146 0.000 1.006 832 Y HN -0.146 nan 8.280 nan 0.000 0.518 833 I N 0.137 120.874 120.570 0.279 0.000 2.208 833 I HA -0.325 -5.891 4.170 -16.227 0.000 0.245 833 I C 2.469 178.651 176.117 0.109 0.000 1.097 833 I CA 1.737 63.170 61.300 0.221 0.000 1.363 833 I CB -0.415 37.671 38.000 0.143 0.000 1.051 833 I HN 0.302 nan 8.210 nan 0.000 0.413 834 I N 1.155 121.737 120.570 0.019 0.000 2.567 834 I HA -0.295 -5.861 4.170 -16.227 0.000 0.257 834 I C 1.913 177.945 176.117 -0.142 0.000 1.184 834 I CA 1.314 62.579 61.300 -0.059 0.000 1.451 834 I CB -0.276 37.699 38.000 -0.041 0.000 1.089 834 I HN 0.308 nan 8.210 nan 0.000 0.441 835 N N 0.327 118.876 118.700 -0.251 0.000 2.520 835 N HA -0.123 -5.119 4.740 -16.227 0.000 0.185 835 N C 0.786 175.848 175.510 -0.748 0.000 1.068 835 N CA 1.193 53.937 53.050 -0.510 0.000 0.911 835 N CB -0.055 38.073 38.487 -0.599 0.000 0.961 835 N HN 0.409 nan 8.380 nan 0.000 0.446 836 F N -0.441 119.403 119.950 -0.177 0.000 2.706 836 F HA 0.273 -4.937 4.527 -16.228 0.000 0.313 836 F C 0.253 175.956 175.800 -0.162 0.000 1.096 836 F CA -0.227 57.669 58.000 -0.172 0.000 1.219 836 F CB 0.649 39.552 39.000 -0.162 0.000 1.051 836 F HN -0.317 nan 8.300 nan 0.000 0.568 837 V N -0.199 119.674 119.914 -0.068 0.000 2.531 837 V HA 0.374 -5.242 4.120 -16.227 0.000 0.301 837 V C -0.046 175.978 176.094 -0.117 0.000 1.034 837 V CA -1.097 61.118 62.300 -0.141 0.000 0.865 837 V CB 1.686 33.307 31.823 -0.337 0.000 0.995 837 V HN -0.002 nan 8.190 nan 0.000 0.424 838 S N 3.984 119.641 115.700 -0.072 0.000 2.565 838 S HA 0.290 -4.976 4.470 -16.227 0.000 0.274 838 S C 0.589 175.178 174.600 -0.019 0.000 1.309 838 S CA -0.467 57.702 58.200 -0.051 0.000 1.043 838 S CB 0.237 63.418 63.200 -0.030 0.000 0.939 838 S HN 0.886 nan 8.310 nan 0.000 0.504 839 N N 0.717 119.401 118.700 -0.026 0.000 2.705 839 N HA -0.183 -5.179 4.740 -16.227 0.000 0.255 839 N C -0.621 174.919 175.510 0.050 0.000 1.008 839 N CA 0.166 53.221 53.050 0.008 0.000 0.742 839 N CB -1.325 37.179 38.487 0.028 0.000 0.906 839 N HN 0.637 nan 8.380 nan 0.000 0.541 840 L N 0.904 122.132 121.223 0.007 0.000 2.615 840 L HA 0.026 -5.370 4.340 -16.227 0.000 0.271 840 L C 0.587 177.516 176.870 0.098 0.000 1.183 840 L CA 0.518 55.375 54.840 0.027 0.000 0.933 840 L CB 0.342 42.357 42.059 -0.073 0.000 1.199 840 L HN 0.080 nan 8.230 nan 0.000 0.487 841 D N 3.303 123.848 120.400 0.242 0.000 2.336 841 D HA 0.024 -5.072 4.640 -16.227 0.000 0.249 841 D C 1.203 177.590 176.300 0.146 0.000 1.213 841 D CA 0.429 54.521 54.000 0.154 0.000 0.870 841 D CB 1.407 42.269 40.800 0.103 0.000 1.076 841 D HN 0.772 nan 8.370 nan 0.000 0.483 842 T N 0.735 115.314 114.554 0.042 0.000 2.867 842 T HA -0.144 -5.531 4.350 -16.227 0.000 0.268 842 T C 1.184 175.908 174.700 0.040 0.000 1.057 842 T CA 0.713 62.815 62.100 0.003 0.000 1.136 842 T CB 0.166 68.958 68.868 -0.126 0.000 0.874 842 T HN 0.262 nan 8.240 nan 0.000 0.466 843 D N 1.234 121.651 120.400 0.028 0.000 2.117 843 D HA -0.031 -5.127 4.640 -16.227 0.000 0.198 843 D C 2.346 178.613 176.300 -0.054 0.000 0.982 843 D CA 0.847 54.844 54.000 -0.005 0.000 0.828 843 D CB -0.301 40.490 40.800 -0.015 0.000 0.967 843 D HN 0.309 nan 8.370 nan 0.000 0.464 844 V N 1.329 121.213 119.914 -0.051 0.000 2.343 844 V HA -0.206 -5.822 4.120 -16.227 0.000 0.247 844 V C 2.488 178.580 176.094 -0.003 0.000 1.051 844 V CA 0.959 63.174 62.300 -0.141 0.000 1.036 844 V CB -0.411 31.238 31.823 -0.289 0.000 0.654 844 V HN 0.121 nan 8.190 nan 0.000 0.451 845 L N 0.949 122.296 121.223 0.207 0.000 2.046 845 L HA -0.072 -5.469 4.340 -16.227 0.000 0.208 845 L C 2.463 179.396 176.870 0.104 0.000 1.077 845 L CA 2.310 57.291 54.840 0.235 0.000 0.747 845 L CB -0.985 41.180 42.059 0.177 0.000 0.896 845 L HN 0.220 nan 8.230 nan 0.000 0.432 846 A N -0.698 122.152 122.820 0.050 0.000 1.883 846 A HA -0.238 -5.655 4.320 -16.227 0.000 0.217 846 A C 1.991 179.564 177.584 -0.018 0.000 1.186 846 A CA 1.966 54.025 52.037 0.035 0.000 0.624 846 A CB -0.906 18.112 19.000 0.030 0.000 0.822 846 A HN 0.530 nan 8.150 nan 0.000 0.444 847 D N -0.607 119.693 120.400 -0.166 0.000 2.144 847 D HA -0.090 -5.186 4.640 -16.227 0.000 0.199 847 D C 2.022 178.138 176.300 -0.306 0.000 0.984 847 D CA 1.793 55.551 54.000 -0.404 0.000 0.834 847 D CB -0.692 39.559 40.800 -0.915 0.000 0.955 847 D HN 0.421 nan 8.370 nan 0.000 0.465 848 T N 0.886 115.373 114.554 -0.111 0.000 2.674 848 T HA -0.116 -5.502 4.350 -16.227 0.000 0.265 848 T C 1.907 176.777 174.700 0.284 0.000 1.039 848 T CA 1.152 63.417 62.100 0.275 0.000 1.150 848 T CB -0.055 69.018 68.868 0.341 0.000 0.864 848 T HN 0.163 nan 8.240 nan 0.000 0.427 849 K N 0.851 121.359 120.400 0.179 0.000 2.057 849 K HA -0.128 -5.545 4.320 -16.227 0.000 0.207 849 K C 2.423 179.174 176.600 0.252 0.000 1.049 849 K CA 1.377 57.758 56.287 0.158 0.000 0.931 849 K CB -0.139 32.469 32.500 0.180 0.000 0.714 849 K HN 0.425 nan 8.250 nan 0.000 0.440 850 E N 0.135 120.474 120.200 0.232 0.000 2.058 850 E HA -0.261 -5.647 4.350 -16.227 0.000 0.194 850 E C 1.968 178.730 176.600 0.269 0.000 0.997 850 E CA 1.329 57.865 56.400 0.227 0.000 0.801 850 E CB -0.148 29.630 29.700 0.130 0.000 0.746 850 E HN 0.340 nan 8.360 nan 0.000 0.450 851 Y N 0.922 121.340 120.300 0.198 0.000 2.145 851 Y HA -0.184 -5.371 4.550 -16.227 0.000 0.286 851 Y C 1.899 177.911 175.900 0.188 0.000 1.145 851 Y CA 1.835 60.077 58.100 0.236 0.000 1.148 851 Y CB -0.254 38.443 38.460 0.395 0.000 0.981 851 Y HN 0.042 nan 8.280 nan 0.000 0.507 852 I N -1.121 119.488 120.570 0.065 0.000 2.179 852 I HA -0.340 -5.906 4.170 -16.227 0.000 0.242 852 I C 1.905 177.985 176.117 -0.062 0.000 1.088 852 I CA 1.408 62.661 61.300 -0.079 0.000 1.357 852 I CB -0.624 37.389 38.000 0.021 0.000 1.051 852 I HN 0.163 nan 8.210 nan 0.000 0.409 853 Y N 1.047 121.366 120.300 0.031 0.000 2.165 853 Y HA -0.296 -5.483 4.550 -16.227 0.000 0.286 853 Y C 2.584 178.486 175.900 0.003 0.000 1.155 853 Y CA 1.616 59.734 58.100 0.030 0.000 1.164 853 Y CB -0.534 37.936 38.460 0.017 0.000 0.978 853 Y HN 0.041 nan 8.280 nan 0.000 0.513 854 K N 0.133 120.613 120.400 0.132 0.000 2.057 854 K HA -0.163 -5.580 4.320 -16.227 0.000 0.207 854 K C 2.035 178.617 176.600 -0.029 0.000 1.049 854 K CA 1.416 57.732 56.287 0.049 0.000 0.931 854 K CB -0.271 32.261 32.500 0.053 0.000 0.714 854 K HN 0.186 nan 8.250 nan 0.000 0.440 855 Q N 0.062 119.769 119.800 -0.155 0.000 2.061 855 Q HA -0.164 -5.560 4.340 -16.227 0.000 0.204 855 Q C 2.237 178.189 176.000 -0.080 0.000 0.984 855 Q CA 1.929 57.618 55.803 -0.190 0.000 0.846 855 Q CB -0.196 28.322 28.738 -0.367 0.000 0.902 855 Q HN 0.431 nan 8.270 nan 0.000 0.421 856 I N -0.340 120.215 120.570 -0.025 0.000 2.233 856 I HA -0.140 -5.706 4.170 -16.227 0.000 0.243 856 I C 2.395 178.495 176.117 -0.028 0.000 1.093 856 I CA 1.026 62.326 61.300 -0.001 0.000 1.380 856 I CB -0.635 37.414 38.000 0.082 0.000 1.067 856 I HN 0.196 nan 8.210 nan 0.000 0.413 857 G N 0.461 109.287 108.800 0.044 0.000 2.422 857 G HA2 -0.253 -6.029 3.960 -16.227 0.000 0.218 857 G HA3 -0.253 -6.029 3.960 -16.227 0.000 0.218 857 G C 1.237 176.108 174.900 -0.049 0.000 1.146 857 G CA 0.875 45.980 45.100 0.008 0.000 0.769 857 G HN 0.265 nan 8.290 nan 0.000 0.547 858 D N 0.340 120.724 120.400 -0.026 0.000 2.221 858 D HA -0.047 -5.143 4.640 -16.227 0.000 0.204 858 D C 2.420 178.690 176.300 -0.049 0.000 0.982 858 D CA 0.880 54.865 54.000 -0.025 0.000 0.857 858 D CB 0.031 40.818 40.800 -0.022 0.000 0.934 858 D HN 0.362 nan 8.370 nan 0.000 0.475 859 K N -0.644 119.706 120.400 -0.084 0.000 2.244 859 K HA 0.197 -5.219 4.320 -16.227 0.000 0.200 859 K C 1.717 178.219 176.600 -0.163 0.000 1.052 859 K CA 0.215 56.442 56.287 -0.099 0.000 0.980 859 K CB 0.609 33.054 32.500 -0.091 0.000 0.838 859 K HN 0.111 nan 8.250 nan 0.000 0.481 860 L N 0.905 121.951 121.223 -0.295 0.000 2.693 860 L HA 0.113 -5.283 4.340 -16.227 0.000 0.235 860 L C 1.169 177.587 176.870 -0.753 0.000 1.127 860 L CA -0.149 54.366 54.840 -0.542 0.000 0.914 860 L CB -0.034 41.573 42.059 -0.753 0.000 1.193 860 L HN 0.060 nan 8.230 nan 0.000 0.502 861 N N 0.939 119.375 118.700 -0.439 0.000 2.149 861 N HA -0.190 -5.186 4.740 -16.227 0.000 0.188 861 N C 1.270 176.666 175.510 -0.191 0.000 1.019 861 N CA 1.429 54.315 53.050 -0.274 0.000 0.857 861 N CB -0.047 38.455 38.487 0.025 0.000 0.997 861 N HN 0.280 nan 8.380 nan 0.000 0.426 862 D N 0.066 120.452 120.400 -0.024 0.000 2.144 862 D HA -0.063 -5.159 4.640 -16.227 0.000 0.199 862 D C 2.058 178.393 176.300 0.058 0.000 0.984 862 D CA 0.461 54.516 54.000 0.091 0.000 0.834 862 D CB -0.247 40.617 40.800 0.108 0.000 0.955 862 D HN 0.023 nan 8.370 nan 0.000 0.465 863 V N 0.945 120.835 119.914 -0.040 0.000 2.295 863 V HA -0.260 -5.876 4.120 -16.227 0.000 0.246 863 V C 2.192 178.351 176.094 0.108 0.000 1.049 863 V CA 1.299 63.599 62.300 -0.001 0.000 1.024 863 V CB -0.633 31.152 31.823 -0.064 0.000 0.648 863 V HN 0.143 nan 8.190 nan 0.000 0.447 864 Y N -0.771 119.509 120.300 -0.033 0.000 2.128 864 Y HA -0.252 -5.438 4.550 -16.227 0.000 0.284 864 Y C 2.444 178.316 175.900 -0.046 0.000 1.154 864 Y CA 1.382 59.447 58.100 -0.057 0.000 1.149 864 Y CB -1.330 37.064 38.460 -0.110 0.000 0.976 864 Y HN 0.365 nan 8.280 nan 0.000 0.505 865 Y N 1.030 121.290 120.300 -0.067 0.000 2.163 865 Y HA -0.207 -5.393 4.550 -16.227 0.000 0.288 865 Y C 2.602 178.548 175.900 0.076 0.000 1.136 865 Y CA 2.146 60.185 58.100 -0.100 0.000 1.147 865 Y CB -0.359 37.917 38.460 -0.307 0.000 0.987 865 Y HN 0.059 nan 8.280 nan 0.000 0.509 866 K N -0.165 120.283 120.400 0.079 0.000 2.063 866 K HA -0.231 -5.647 4.320 -16.227 0.000 0.208 866 K C 2.053 178.629 176.600 -0.040 0.000 1.048 866 K CA 2.054 58.349 56.287 0.014 0.000 0.928 866 K CB -0.244 32.301 32.500 0.075 0.000 0.713 866 K HN 0.387 nan 8.250 nan 0.000 0.442 867 M N -0.398 119.209 119.600 0.012 0.000 2.132 867 M HA -0.107 -5.363 4.480 -16.227 0.000 0.263 867 M C 2.026 178.309 176.300 -0.029 0.000 1.065 867 M CA 1.351 56.653 55.300 0.002 0.000 1.122 867 M CB -0.310 32.319 32.600 0.048 0.000 1.365 867 M HN 0.171 nan 8.290 nan 0.000 0.411 868 F N 1.633 121.483 119.950 -0.167 0.000 2.120 868 F HA -0.285 -5.494 4.527 -16.228 0.000 0.300 868 F C 2.197 177.862 175.800 -0.225 0.000 1.095 868 F CA 1.706 59.584 58.000 -0.203 0.000 1.249 868 F CB -0.127 38.727 39.000 -0.243 0.000 0.995 868 F HN -0.077 nan 8.300 nan 0.000 0.480 869 K N 0.302 120.531 120.400 -0.285 0.000 2.062 869 K HA -0.074 -5.491 4.320 -16.227 0.000 0.205 869 K C 2.403 178.857 176.600 -0.242 0.000 1.051 869 K CA 1.434 57.524 56.287 -0.328 0.000 0.941 869 K CB -1.155 31.158 32.500 -0.312 0.000 0.719 869 K HN 0.455 nan 8.250 nan 0.000 0.440 870 S N 0.904 116.502 115.700 -0.170 0.000 2.453 870 S HA -0.011 -5.277 4.470 -16.227 0.000 0.231 870 S C 2.072 176.596 174.600 -0.128 0.000 1.005 870 S CA 0.519 58.648 58.200 -0.119 0.000 0.949 870 S CB -0.404 62.752 63.200 -0.075 0.000 0.774 870 S HN 0.163 nan 8.310 nan 0.000 0.510 871 L N 1.179 122.304 121.223 -0.163 0.000 2.395 871 L HA 0.115 -5.281 4.340 -16.227 0.000 0.218 871 L C 2.780 179.542 176.870 -0.181 0.000 1.130 871 L CA 0.979 55.727 54.840 -0.154 0.000 0.826 871 L CB -0.457 41.514 42.059 -0.147 0.000 0.941 871 L HN 0.437 nan 8.230 nan 0.000 0.451 872 E N 0.915 120.969 120.200 -0.244 0.000 2.049 872 E HA -0.320 -5.706 4.350 -16.227 0.000 0.198 872 E C 2.240 178.764 176.600 -0.127 0.000 1.007 872 E CA 1.611 57.876 56.400 -0.225 0.000 0.809 872 E CB -0.007 29.544 29.700 -0.248 0.000 0.749 872 E HN 0.477 nan 8.360 nan 0.000 0.450 873 A N 1.009 123.767 122.820 -0.104 0.000 1.873 873 A HA -0.263 -5.679 4.320 -16.227 0.000 0.218 873 A C 2.091 179.642 177.584 -0.055 0.000 1.193 873 A CA 2.165 54.161 52.037 -0.069 0.000 0.629 873 A CB -0.459 18.504 19.000 -0.061 0.000 0.826 873 A HN 0.199 nan 8.150 nan 0.000 0.447 874 K N -0.837 119.526 120.400 -0.062 0.000 2.116 874 K HA 0.147 -5.269 4.320 -16.227 0.000 0.203 874 K C 2.343 178.906 176.600 -0.061 0.000 1.052 874 K CA 0.802 57.060 56.287 -0.048 0.000 0.952 874 K CB -0.242 32.230 32.500 -0.047 0.000 0.729 874 K HN 0.423 nan 8.250 nan 0.000 0.446 875 A N 1.746 124.512 122.820 -0.090 0.000 1.902 875 A HA -0.168 -5.584 4.320 -16.227 0.000 0.217 875 A C 1.140 178.634 177.584 -0.150 0.000 1.181 875 A CA 1.851 53.814 52.037 -0.123 0.000 0.623 875 A CB -0.185 18.737 19.000 -0.130 0.000 0.818 875 A HN 0.151 nan 8.150 nan 0.000 0.443 876 D N -0.195 120.160 120.400 -0.075 0.000 2.368 876 D HA 0.125 -4.971 4.640 -16.227 0.000 0.218 876 D C -0.297 176.094 176.300 0.150 0.000 1.112 876 D CA -0.203 53.818 54.000 0.034 0.000 0.834 876 D CB -0.191 40.646 40.800 0.062 0.000 0.953 876 D HN 0.393 nan 8.370 nan 0.000 0.505 877 D N 0.594 121.033 120.400 0.065 0.000 2.586 877 D HA -0.094 -5.190 4.640 -16.227 0.000 0.234 877 D C 0.887 177.282 176.300 0.158 0.000 1.132 877 D CA 0.390 54.431 54.000 0.068 0.000 0.860 877 D CB 0.715 41.538 40.800 0.038 0.000 1.159 877 D HN 0.083 nan 8.370 nan 0.000 0.490 878 L N 3.159 124.423 121.223 0.067 0.000 2.640 878 L HA 0.048 -5.349 4.340 -16.227 0.000 0.230 878 L C 2.125 178.984 176.870 -0.018 0.000 1.123 878 L CA -0.107 54.764 54.840 0.051 0.000 0.900 878 L CB -0.088 41.898 42.059 -0.122 0.000 1.146 878 L HN 0.432 nan 8.230 nan 0.000 0.484 879 T N -0.411 114.066 114.554 -0.128 0.000 2.685 879 T HA -0.239 -5.625 4.350 -16.227 0.000 0.268 879 T C 0.938 175.293 174.700 -0.575 0.000 1.034 879 T CA 1.914 63.766 62.100 -0.414 0.000 1.149 879 T CB -0.278 68.224 68.868 -0.611 0.000 0.860 879 T HN 0.310 nan 8.240 nan 0.000 0.449 880 Y N -0.935 119.303 120.300 -0.102 0.000 2.636 880 Y HA 0.421 -4.764 4.550 -16.226 0.000 0.260 880 Y C 1.260 177.135 175.900 -0.043 0.000 1.177 880 Y CA -1.601 56.392 58.100 -0.178 0.000 1.209 880 Y CB -0.398 37.728 38.460 -0.557 0.000 1.166 880 Y HN 0.116 nan 8.280 nan 0.000 0.531 881 F N 1.394 121.331 119.950 -0.022 0.000 2.161 881 F HA -0.242 -5.452 4.527 -16.227 0.000 0.300 881 F C 1.151 176.928 175.800 -0.038 0.000 1.089 881 F CA 1.932 59.907 58.000 -0.043 0.000 1.282 881 F CB -0.104 38.815 39.000 -0.134 0.000 1.010 881 F HN 0.071 nan 8.300 nan 0.000 0.485 882 N N -0.633 118.132 118.700 0.108 0.000 2.268 882 N HA -0.037 -5.033 4.740 -16.227 0.000 0.204 882 N C -0.668 174.852 175.510 0.017 0.000 1.124 882 N CA -0.072 53.002 53.050 0.040 0.000 0.838 882 N CB 0.022 38.556 38.487 0.079 0.000 0.994 882 N HN 0.073 nan 8.380 nan 0.000 0.489 883 D N 1.005 121.424 120.400 0.033 0.000 2.428 883 D HA 0.065 -5.031 4.640 -16.227 0.000 0.221 883 D C 0.449 176.767 176.300 0.031 0.000 1.123 883 D CA -0.048 53.993 54.000 0.068 0.000 0.869 883 D CB 0.769 41.666 40.800 0.161 0.000 1.032 883 D HN 0.180 nan 8.370 nan 0.000 0.506 884 E N 0.977 121.193 120.200 0.027 0.000 2.204 884 E HA -0.094 -5.481 4.350 -16.227 0.000 0.195 884 E C 1.137 177.788 176.600 0.085 0.000 0.990 884 E CA 0.775 57.195 56.400 0.033 0.000 0.821 884 E CB 0.322 30.053 29.700 0.050 0.000 0.750 884 E HN 0.250 nan 8.360 nan 0.000 0.477 885 S N -0.657 115.106 115.700 0.105 0.000 2.524 885 S HA -0.012 -5.279 4.470 -16.227 0.000 0.215 885 S C 0.332 174.982 174.600 0.083 0.000 0.986 885 S CA -0.288 58.015 58.200 0.172 0.000 0.911 885 S CB 0.201 63.494 63.200 0.155 0.000 0.805 885 S HN 0.291 nan 8.310 nan 0.000 0.501 886 H N 2.060 121.068 119.070 -0.103 0.000 2.911 886 H HA 0.406 -4.774 4.556 -16.226 0.000 0.273 886 H C -1.301 173.796 175.328 -0.384 0.000 1.157 886 H CA 0.271 56.187 56.048 -0.220 0.000 1.402 886 H CB -0.014 29.597 29.762 -0.251 0.000 1.463 886 H HN -0.022 nan 8.280 nan 0.000 0.475 887 V N 6.044 125.595 119.914 -0.606 0.000 2.444 887 V HA 0.083 -5.533 4.120 -16.227 0.000 0.294 887 V C -0.040 175.635 176.094 -0.698 0.000 1.022 887 V CA -0.826 60.979 62.300 -0.824 0.000 0.850 887 V CB 1.819 32.841 31.823 -1.334 0.000 0.992 887 V HN 0.708 nan 8.190 nan 0.000 0.426 888 D N 3.581 123.613 120.400 -0.612 0.000 2.461 888 D HA 0.359 -4.738 4.640 -16.227 0.000 0.240 888 D C 0.464 176.549 176.300 -0.359 0.000 1.094 888 D CA -0.430 53.351 54.000 -0.366 0.000 0.868 888 D CB 1.071 41.765 40.800 -0.176 0.000 1.062 888 D HN 0.310 nan 8.370 nan 0.000 0.530 889 F N 1.218 121.075 119.950 -0.156 0.000 2.234 889 F HA -0.086 -5.293 4.527 -16.224 0.000 0.299 889 F C 2.029 177.780 175.800 -0.082 0.000 1.087 889 F CA 0.605 58.537 58.000 -0.113 0.000 1.340 889 F CB 0.142 39.095 39.000 -0.079 0.000 1.031 889 F HN 0.309 nan 8.300 nan 0.000 0.500 890 D N -0.089 120.361 120.400 0.082 0.000 2.097 890 D HA -0.220 -5.316 4.640 -16.227 0.000 0.195 890 D C 2.187 178.476 176.300 -0.018 0.000 0.989 890 D CA 1.143 55.163 54.000 0.034 0.000 0.827 890 D CB -0.550 40.261 40.800 0.019 0.000 0.966 890 D HN 0.352 nan 8.370 nan 0.000 0.456 891 Q N -0.166 119.596 119.800 -0.064 0.000 2.084 891 Q HA -0.121 -5.517 4.340 -16.227 0.000 0.202 891 Q C 2.228 178.140 176.000 -0.147 0.000 0.978 891 Q CA 1.050 56.790 55.803 -0.106 0.000 0.844 891 Q CB -0.011 28.654 28.738 -0.122 0.000 0.898 891 Q HN 0.257 nan 8.270 nan 0.000 0.426 892 M N 0.224 119.723 119.600 -0.168 0.000 2.159 892 M HA -0.155 -5.411 4.480 -16.227 0.000 0.263 892 M C 1.635 177.892 176.300 -0.070 0.000 1.063 892 M CA 0.974 56.177 55.300 -0.161 0.000 1.110 892 M CB -0.213 32.278 32.600 -0.183 0.000 1.374 892 M HN 0.197 nan 8.290 nan 0.000 0.411 893 N N 0.479 119.168 118.700 -0.017 0.000 2.223 893 N HA -0.076 -5.072 4.740 -16.227 0.000 0.185 893 N C 1.571 177.066 175.510 -0.024 0.000 1.016 893 N CA 1.302 54.356 53.050 0.005 0.000 0.863 893 N CB -0.245 38.271 38.487 0.047 0.000 0.983 893 N HN 0.409 nan 8.380 nan 0.000 0.429 894 M N 0.211 119.785 119.600 -0.044 0.000 2.117 894 M HA -0.073 -5.329 4.480 -16.227 0.000 0.262 894 M C 1.992 178.250 176.300 -0.070 0.000 1.065 894 M CA 1.250 56.516 55.300 -0.056 0.000 1.114 894 M CB -0.131 32.427 32.600 -0.069 0.000 1.361 894 M HN 0.073 nan 8.290 nan 0.000 0.408 895 R N -0.441 120.003 120.500 -0.094 0.000 2.081 895 R HA -0.082 -5.478 4.340 -16.227 0.000 0.235 895 R C 2.218 178.497 176.300 -0.035 0.000 1.131 895 R CA 1.767 57.819 56.100 -0.080 0.000 0.960 895 R CB -0.838 29.372 30.300 -0.150 0.000 0.856 895 R HN 0.371 nan 8.270 nan 0.000 0.436 896 T N 2.107 116.634 114.554 -0.045 0.000 2.635 896 T HA -0.174 -5.561 4.350 -16.227 0.000 0.267 896 T C 1.759 176.426 174.700 -0.055 0.000 1.040 896 T CA 1.407 63.479 62.100 -0.046 0.000 1.156 896 T CB -0.301 68.534 68.868 -0.055 0.000 0.863 896 T HN 0.085 nan 8.240 nan 0.000 0.430 897 L N 1.251 122.442 121.223 -0.054 0.000 2.017 897 L HA -0.036 -5.433 4.340 -16.227 0.000 0.208 897 L C 2.483 179.335 176.870 -0.031 0.000 1.073 897 L CA 1.723 56.528 54.840 -0.058 0.000 0.745 897 L CB -0.560 41.472 42.059 -0.044 0.000 0.894 897 L HN 0.095 nan 8.230 nan 0.000 0.432 898 R N -0.463 120.038 120.500 0.001 0.000 2.083 898 R HA -0.164 -5.560 4.340 -16.227 0.000 0.237 898 R C 2.030 178.426 176.300 0.160 0.000 1.137 898 R CA 1.620 57.776 56.100 0.094 0.000 0.951 898 R CB -0.590 29.706 30.300 -0.007 0.000 0.851 898 R HN 0.511 nan 8.270 nan 0.000 0.434 899 N N -0.286 118.467 118.700 0.088 0.000 2.244 899 N HA -0.086 -5.082 4.740 -16.227 0.000 0.183 899 N C 1.636 177.132 175.510 -0.024 0.000 1.016 899 N CA 1.363 54.453 53.050 0.066 0.000 0.866 899 N CB -0.275 38.264 38.487 0.088 0.000 0.980 899 N HN 0.195 nan 8.380 nan 0.000 0.430 900 T N 2.002 116.518 114.554 -0.063 0.000 2.737 900 T HA 0.016 -5.371 4.350 -16.227 0.000 0.265 900 T C 2.178 176.767 174.700 -0.185 0.000 1.038 900 T CA 0.673 62.697 62.100 -0.126 0.000 1.144 900 T CB -0.210 68.569 68.868 -0.149 0.000 0.866 900 T HN 0.125 nan 8.240 nan 0.000 0.434 901 L N 0.400 121.513 121.223 -0.185 0.000 2.046 901 L HA -0.053 -5.449 4.340 -16.227 0.000 0.208 901 L C 2.468 179.183 176.870 -0.259 0.000 1.077 901 L CA 0.705 55.386 54.840 -0.265 0.000 0.747 901 L CB -0.621 41.348 42.059 -0.151 0.000 0.896 901 L HN 0.198 nan 8.230 nan 0.000 0.432 902 L N -0.465 120.601 121.223 -0.261 0.000 2.042 902 L HA -0.229 -5.626 4.340 -16.227 0.000 0.210 902 L C 2.790 179.533 176.870 -0.213 0.000 1.076 902 L CA 1.989 56.579 54.840 -0.417 0.000 0.749 902 L CB -0.649 41.143 42.059 -0.445 0.000 0.893 902 L HN 0.218 nan 8.230 nan 0.000 0.432 903 S N -0.985 114.633 115.700 -0.136 0.000 2.359 903 S HA -0.190 -5.456 4.470 -16.227 0.000 0.224 903 S C 2.071 176.587 174.600 -0.139 0.000 1.035 903 S CA 1.690 59.842 58.200 -0.081 0.000 1.018 903 S CB -0.411 62.742 63.200 -0.078 0.000 0.876 903 S HN 0.482 nan 8.310 nan 0.000 0.448 904 L N 0.766 121.870 121.223 -0.199 0.000 2.042 904 L HA -0.101 -5.497 4.340 -16.227 0.000 0.210 904 L C 2.458 179.266 176.870 -0.103 0.000 1.076 904 L CA 1.215 55.940 54.840 -0.192 0.000 0.749 904 L CB -0.529 41.397 42.059 -0.221 0.000 0.893 904 L HN 0.349 nan 8.230 nan 0.000 0.432 905 L N -1.290 119.872 121.223 -0.103 0.000 2.156 905 L HA -0.128 -5.525 4.340 -16.227 0.000 0.208 905 L C 2.632 179.513 176.870 0.019 0.000 1.095 905 L CA 0.767 55.574 54.840 -0.055 0.000 0.770 905 L CB -0.379 41.576 42.059 -0.174 0.000 0.914 905 L HN 0.167 nan 8.230 nan 0.000 0.439 906 S N -0.249 115.454 115.700 0.004 0.000 2.371 906 S HA -0.117 -5.383 4.470 -16.227 0.000 0.224 906 S C 1.898 176.411 174.600 -0.145 0.000 1.029 906 S CA 0.942 59.230 58.200 0.146 0.000 0.978 906 S CB -0.083 63.289 63.200 0.286 0.000 0.833 906 S HN 0.344 nan 8.310 nan 0.000 0.466 907 K N 1.600 121.763 120.400 -0.395 0.000 2.152 907 K HA -0.001 -5.417 4.320 -16.227 0.000 0.206 907 K C 2.067 178.427 176.600 -0.400 0.000 1.048 907 K CA 1.243 57.085 56.287 -0.742 0.000 0.933 907 K CB -0.259 31.904 32.500 -0.561 0.000 0.721 907 K HN 0.350 nan 8.250 nan 0.000 0.447 908 A N 0.763 123.478 122.820 -0.174 0.000 2.208 908 A HA -0.066 -5.482 4.320 -16.227 0.000 0.209 908 A C 0.244 177.824 177.584 -0.007 0.000 1.161 908 A CA 0.255 52.261 52.037 -0.052 0.000 0.782 908 A CB 0.077 19.103 19.000 0.044 0.000 0.816 908 A HN 0.269 nan 8.150 nan 0.000 0.477 909 Q N -2.064 117.733 119.800 -0.004 0.000 2.468 909 Q HA -0.240 -5.636 4.340 -16.227 0.000 0.289 909 Q C -0.529 175.550 176.000 0.133 0.000 1.299 909 Q CA 0.671 56.520 55.803 0.075 0.000 0.838 909 Q CB -2.515 26.203 28.738 -0.033 0.000 1.195 909 Q HN 0.770 nan 8.270 nan 0.000 0.456 910 Y N 1.482 121.800 120.300 0.029 0.000 2.811 910 Y HA 0.049 -5.137 4.550 -16.227 0.000 0.334 910 Y C -1.591 174.295 175.900 -0.024 0.000 1.247 910 Y CA -1.065 57.025 58.100 -0.017 0.000 1.526 910 Y CB 0.510 38.951 38.460 -0.032 0.000 1.284 910 Y HN 0.051 nan 8.280 nan 0.000 0.586 911 P HA -0.060 nan 4.420 nan 0.000 0.260 911 P C -0.619 176.556 177.300 -0.208 0.000 1.172 911 P CA 1.223 64.125 63.100 -0.330 0.000 0.760 911 P CB 0.126 31.552 31.700 -0.457 0.000 0.773 912 N N 0.599 119.252 118.700 -0.079 0.000 2.753 912 N HA -0.253 -5.249 4.740 -16.227 0.000 0.251 912 N C 0.679 176.179 175.510 -0.017 0.000 1.097 912 N CA 0.047 53.070 53.050 -0.045 0.000 0.786 912 N CB -1.631 36.824 38.487 -0.053 0.000 1.137 912 N HN 0.349 nan 8.380 nan 0.000 0.566 913 I N 0.344 120.924 120.570 0.016 0.000 2.567 913 I HA -0.079 -5.645 4.170 -16.227 0.000 0.257 913 I C 1.840 177.855 176.117 -0.169 0.000 1.184 913 I CA 0.933 62.244 61.300 0.018 0.000 1.451 913 I CB -0.048 38.023 38.000 0.118 0.000 1.089 913 I HN 0.380 nan 8.210 nan 0.000 0.441 914 L N 0.540 121.537 121.223 -0.377 0.000 2.131 914 L HA -0.228 -5.624 4.340 -16.227 0.000 0.210 914 L C 2.055 178.803 176.870 -0.203 0.000 1.092 914 L CA 1.873 56.392 54.840 -0.535 0.000 0.759 914 L CB -1.146 40.512 42.059 -0.667 0.000 0.903 914 L HN 0.370 nan 8.230 nan 0.000 0.435 915 N N -0.847 117.797 118.700 -0.093 0.000 2.104 915 N HA -0.238 -5.234 4.740 -16.227 0.000 0.190 915 N C 1.593 177.132 175.510 0.049 0.000 1.024 915 N CA 1.381 54.428 53.050 -0.004 0.000 0.853 915 N CB -0.075 38.430 38.487 0.031 0.000 1.008 915 N HN 0.370 nan 8.380 nan 0.000 0.424 916 E N 0.863 121.106 120.200 0.071 0.000 2.072 916 E HA -0.051 -5.437 4.350 -16.227 0.000 0.191 916 E C 1.900 178.574 176.600 0.123 0.000 0.985 916 E CA 0.619 57.106 56.400 0.145 0.000 0.801 916 E CB -0.051 29.732 29.700 0.138 0.000 0.750 916 E HN 0.356 nan 8.360 nan 0.000 0.452 917 I N 0.372 120.951 120.570 0.016 0.000 2.179 917 I HA -0.264 -5.831 4.170 -16.227 0.000 0.242 917 I C 1.822 178.012 176.117 0.122 0.000 1.088 917 I CA 0.672 62.002 61.300 0.051 0.000 1.357 917 I CB -0.259 37.709 38.000 -0.053 0.000 1.051 917 I HN 0.152 nan 8.210 nan 0.000 0.409 918 I N 0.542 121.149 120.570 0.061 0.000 2.226 918 I HA -0.237 -5.803 4.170 -16.227 0.000 0.245 918 I C 2.588 178.769 176.117 0.106 0.000 1.100 918 I CA 1.573 62.916 61.300 0.072 0.000 1.374 918 I CB -1.317 36.702 38.000 0.032 0.000 1.057 918 I HN 0.286 nan 8.210 nan 0.000 0.413 919 E N -0.345 119.930 120.200 0.125 0.000 2.110 919 E HA -0.242 -5.628 4.350 -16.227 0.000 0.193 919 E C 2.171 178.888 176.600 0.195 0.000 0.988 919 E CA 1.072 57.554 56.400 0.137 0.000 0.804 919 E CB -0.549 29.235 29.700 0.138 0.000 0.745 919 E HN 0.529 nan 8.360 nan 0.000 0.458 920 H N 0.755 119.911 119.070 0.143 0.000 2.421 920 H HA -0.059 -5.239 4.556 -16.227 0.000 0.298 920 H C 2.124 177.565 175.328 0.189 0.000 1.087 920 H CA 1.755 57.911 56.048 0.179 0.000 1.330 920 H CB -0.054 29.844 29.762 0.226 0.000 1.388 920 H HN 0.119 nan 8.280 nan 0.000 0.526 921 S N -0.293 115.539 115.700 0.219 0.000 2.469 921 S HA -0.110 -5.376 4.470 -16.227 0.000 0.238 921 S C 1.637 176.296 174.600 0.098 0.000 0.998 921 S CA 0.989 59.299 58.200 0.184 0.000 0.957 921 S CB -0.070 63.218 63.200 0.145 0.000 0.764 921 S HN 0.418 nan 8.310 nan 0.000 0.514 922 K N 1.452 121.888 120.400 0.060 0.000 2.404 922 K HA 0.247 -5.170 4.320 -16.227 0.000 0.194 922 K C 0.670 177.264 176.600 -0.010 0.000 1.023 922 K CA -0.010 56.274 56.287 -0.006 0.000 1.094 922 K CB 0.249 32.746 32.500 -0.006 0.000 0.841 922 K HN 0.327 nan 8.250 nan 0.000 0.523 923 S N 1.654 117.378 115.700 0.041 0.000 2.562 923 S HA 0.075 -5.191 4.470 -16.227 0.000 0.281 923 S C -1.792 172.873 174.600 0.108 0.000 1.333 923 S CA -1.363 56.864 58.200 0.044 0.000 1.052 923 S CB 0.715 63.922 63.200 0.012 0.000 0.884 923 S HN -0.059 nan 8.310 nan 0.000 0.506 924 P HA 0.041 nan 4.420 nan 0.000 0.226 924 P C -0.776 176.567 177.300 0.072 0.000 1.153 924 P CA 0.805 63.793 63.100 -0.186 0.000 0.777 924 P CB -0.021 31.198 31.700 -0.801 0.000 0.794 925 Y N -0.595 119.838 120.300 0.223 0.000 2.383 925 Y HA 0.195 -4.991 4.550 -16.227 0.000 0.344 925 Y C -1.244 174.567 175.900 -0.148 0.000 0.986 925 Y CA -2.406 55.784 58.100 0.149 0.000 1.175 925 Y CB 0.147 38.638 38.460 0.051 0.000 1.152 925 Y HN -0.014 nan 8.280 nan 0.000 0.511 926 P HA -0.193 nan 4.420 nan 0.000 0.216 926 P C 1.498 178.349 177.300 -0.749 0.000 1.150 926 P CA 1.822 64.233 63.100 -1.148 0.000 0.843 926 P CB 0.355 31.696 31.700 -0.598 0.000 0.787 927 S N -0.864 114.667 115.700 -0.282 0.000 2.383 927 S HA -0.170 -5.437 4.470 -16.227 0.000 0.229 927 S C 1.736 176.262 174.600 -0.125 0.000 1.030 927 S CA 1.442 59.545 58.200 -0.163 0.000 1.002 927 S CB -0.904 62.251 63.200 -0.074 0.000 0.829 927 S HN 0.237 nan 8.310 nan 0.000 0.467 928 N N 1.180 119.803 118.700 -0.128 0.000 2.109 928 N HA -0.039 -5.036 4.740 -16.227 0.000 0.188 928 N C 1.669 177.134 175.510 -0.076 0.000 1.034 928 N CA 1.415 54.361 53.050 -0.173 0.000 0.846 928 N CB -0.593 37.648 38.487 -0.411 0.000 1.010 928 N HN 0.729 nan 8.380 nan 0.000 0.425 929 W N 1.188 122.469 121.300 -0.032 0.000 2.425 929 W HA 0.098 -4.978 4.660 -16.226 0.000 0.277 929 W C 1.260 177.830 176.519 0.085 0.000 1.231 929 W CA 0.134 57.492 57.345 0.022 0.000 1.248 929 W CB -0.960 28.509 29.460 0.014 0.000 1.117 929 W HN -0.040 nan 8.180 nan 0.000 0.568 930 L N 1.391 122.571 121.223 -0.071 0.000 2.109 930 L HA -0.142 -5.538 4.340 -16.227 0.000 0.207 930 L C 2.751 179.658 176.870 0.062 0.000 1.086 930 L CA 1.860 56.696 54.840 -0.007 0.000 0.760 930 L CB -1.152 40.778 42.059 -0.215 0.000 0.910 930 L HN -0.088 nan 8.230 nan 0.000 0.437 931 T N -0.539 114.054 114.554 0.066 0.000 2.720 931 T HA -0.214 -5.600 4.350 -16.227 0.000 0.268 931 T C 2.135 176.955 174.700 0.199 0.000 1.037 931 T CA 1.777 63.956 62.100 0.133 0.000 1.144 931 T CB -0.277 68.703 68.868 0.186 0.000 0.864 931 T HN 0.562 nan 8.240 nan 0.000 0.444 932 S N 1.776 117.647 115.700 0.285 0.000 2.383 932 S HA -0.130 -5.396 4.470 -16.227 0.000 0.229 932 S C 2.045 176.772 174.600 0.212 0.000 1.030 932 S CA 1.184 59.549 58.200 0.275 0.000 1.002 932 S CB -0.742 62.643 63.200 0.309 0.000 0.829 932 S HN 0.317 nan 8.310 nan 0.000 0.467 933 L N 2.920 124.264 121.223 0.201 0.000 1.994 933 L HA -0.065 -5.462 4.340 -16.227 0.000 0.208 933 L C 2.698 179.677 176.870 0.182 0.000 1.071 933 L CA 2.520 57.449 54.840 0.149 0.000 0.745 933 L CB -1.376 40.757 42.059 0.123 0.000 0.892 933 L HN 0.601 nan 8.230 nan 0.000 0.431 934 S N -0.670 115.112 115.700 0.137 0.000 2.356 934 S HA -0.181 -5.447 4.470 -16.227 0.000 0.223 934 S C 1.995 176.651 174.600 0.094 0.000 1.032 934 S CA 1.624 59.884 58.200 0.100 0.000 1.005 934 S CB -1.754 61.469 63.200 0.039 0.000 0.867 934 S HN 0.479 nan 8.310 nan 0.000 0.449 935 V N 1.425 121.429 119.914 0.149 0.000 2.970 935 V HA 0.041 -5.575 4.120 -16.227 0.000 0.260 935 V C 2.344 178.634 176.094 0.326 0.000 1.100 935 V CA 1.450 63.884 62.300 0.224 0.000 1.122 935 V CB -1.234 30.700 31.823 0.184 0.000 0.721 935 V HN 0.701 nan 8.190 nan 0.000 0.483 936 S N 0.791 116.666 115.700 0.292 0.000 2.561 936 S HA 0.223 -5.043 4.470 -16.227 0.000 0.225 936 S C 1.992 176.786 174.600 0.323 0.000 0.977 936 S CA 0.744 59.178 58.200 0.389 0.000 0.926 936 S CB -0.204 63.170 63.200 0.290 0.000 0.769 936 S HN 1.030 nan 8.310 nan 0.000 0.533 937 A N 1.123 123.958 122.820 0.026 0.000 1.997 937 A HA -0.095 -5.512 4.320 -16.227 0.000 0.221 937 A C 1.561 178.828 177.584 -0.528 0.000 1.172 937 A CA 1.399 53.118 52.037 -0.530 0.000 0.645 937 A CB -1.057 17.442 19.000 -0.835 0.000 0.813 937 A HN 0.716 nan 8.150 nan 0.000 0.454 938 Y N -2.179 118.051 120.300 -0.116 0.000 2.471 938 Y HA 0.406 -4.781 4.550 -16.227 0.000 0.286 938 Y C -0.150 175.356 175.900 -0.656 0.000 1.188 938 Y CA -0.381 57.491 58.100 -0.380 0.000 1.286 938 Y CB -0.343 37.831 38.460 -0.477 0.000 1.072 938 Y HN 0.208 nan 8.280 nan 0.000 0.517 939 F N -0.552 119.450 119.950 0.088 0.000 2.603 939 F HA 0.243 -4.966 4.527 -16.227 0.000 0.317 939 F C 0.754 176.601 175.800 0.078 0.000 1.066 939 F CA -1.823 56.231 58.000 0.091 0.000 0.941 939 F CB 1.065 40.129 39.000 0.106 0.000 1.291 939 F HN -0.150 nan 8.300 nan 0.000 0.472 940 D N -0.708 119.863 120.400 0.285 0.000 2.378 940 D HA -0.106 -5.203 4.640 -16.227 0.000 0.222 940 D C 0.824 177.251 176.300 0.213 0.000 0.980 940 D CA 1.077 55.199 54.000 0.203 0.000 0.907 940 D CB -0.281 40.618 40.800 0.165 0.000 0.899 940 D HN 0.478 nan 8.370 nan 0.000 0.527 941 K N -1.046 119.494 120.400 0.234 0.000 2.387 941 K HA 0.014 -5.402 4.320 -16.227 0.000 0.198 941 K C 0.906 177.615 176.600 0.182 0.000 1.022 941 K CA -0.366 56.032 56.287 0.184 0.000 1.128 941 K CB -0.053 32.526 32.500 0.132 0.000 0.853 941 K HN 0.080 nan 8.250 nan 0.000 0.523 942 Y N 0.673 121.000 120.300 0.045 0.000 2.081 942 Y HA -0.308 -5.494 4.550 -16.227 0.000 0.280 942 Y C 1.486 177.355 175.900 -0.052 0.000 1.163 942 Y CA 1.824 59.874 58.100 -0.082 0.000 1.135 942 Y CB -0.188 38.081 38.460 -0.319 0.000 0.970 942 Y HN -0.034 nan 8.280 nan 0.000 0.498 943 F N 0.566 120.566 119.950 0.084 0.000 2.325 943 F HA -0.070 -5.279 4.527 -16.227 0.000 0.299 943 F C 2.524 178.356 175.800 0.053 0.000 1.090 943 F CA 1.511 59.502 58.000 -0.016 0.000 1.392 943 F CB -0.789 38.203 39.000 -0.014 0.000 1.053 943 F HN 0.209 nan 8.300 nan 0.000 0.521 944 E N 0.678 121.009 120.200 0.219 0.000 2.058 944 E HA -0.209 -5.595 4.350 -16.227 0.000 0.194 944 E C 2.154 178.834 176.600 0.134 0.000 0.997 944 E CA 1.322 57.816 56.400 0.156 0.000 0.801 944 E CB -0.232 29.540 29.700 0.120 0.000 0.746 944 E HN 0.395 nan 8.360 nan 0.000 0.450 945 L N -0.058 121.223 121.223 0.096 0.000 2.156 945 L HA -0.121 -5.517 4.340 -16.227 0.000 0.208 945 L C 2.448 179.401 176.870 0.139 0.000 1.095 945 L CA 0.824 55.718 54.840 0.090 0.000 0.770 945 L CB -0.491 41.612 42.059 0.073 0.000 0.914 945 L HN 0.295 nan 8.230 nan 0.000 0.439 946 Y N 1.418 121.674 120.300 -0.073 0.000 2.097 946 Y HA -0.338 -5.524 4.550 -16.227 0.000 0.282 946 Y C 2.307 178.391 175.900 0.307 0.000 1.152 946 Y CA 2.005 60.158 58.100 0.089 0.000 1.136 946 Y CB 0.005 38.437 38.460 -0.048 0.000 0.975 946 Y HN 0.219 nan 8.280 nan 0.000 0.498 947 D N 0.153 120.828 120.400 0.458 0.000 2.117 947 D HA -0.179 -5.276 4.640 -16.227 0.000 0.198 947 D C 2.053 178.436 176.300 0.140 0.000 0.982 947 D CA 1.431 55.606 54.000 0.293 0.000 0.828 947 D CB -0.375 40.561 40.800 0.227 0.000 0.967 947 D HN 0.389 nan 8.370 nan 0.000 0.464 948 K N 0.414 120.874 120.400 0.101 0.000 2.032 948 K HA -0.148 -5.564 4.320 -16.227 0.000 0.209 948 K C 2.002 178.552 176.600 -0.083 0.000 1.048 948 K CA 1.993 58.278 56.287 -0.003 0.000 0.927 948 K CB -0.116 32.384 32.500 -0.001 0.000 0.712 948 K HN 0.237 nan 8.250 nan 0.000 0.441 949 T N -1.805 112.772 114.554 0.038 0.000 2.904 949 T HA -0.161 -5.548 4.350 -16.227 0.000 0.267 949 T C 1.902 176.491 174.700 -0.185 0.000 1.059 949 T CA 0.862 63.004 62.100 0.071 0.000 1.137 949 T CB -0.559 68.632 68.868 0.540 0.000 0.879 949 T HN 0.377 nan 8.240 nan 0.000 0.467 950 Y N 2.385 122.372 120.300 -0.522 0.000 2.145 950 Y HA -0.027 -5.213 4.550 -16.227 0.000 0.286 950 Y C 2.354 177.894 175.900 -0.599 0.000 1.145 950 Y CA 1.573 59.004 58.100 -1.115 0.000 1.148 950 Y CB -0.367 37.459 38.460 -1.057 0.000 0.981 950 Y HN 0.039 nan 8.280 nan 0.000 0.507 951 K N 0.346 120.507 120.400 -0.398 0.000 2.074 951 K HA -0.169 -5.585 4.320 -16.227 0.000 0.209 951 K C 2.029 178.383 176.600 -0.410 0.000 1.048 951 K CA 1.899 57.966 56.287 -0.367 0.000 0.926 951 K CB -0.533 31.857 32.500 -0.183 0.000 0.713 951 K HN 0.396 nan 8.250 nan 0.000 0.444 952 L N -0.116 120.843 121.223 -0.440 0.000 2.201 952 L HA -0.131 -5.527 4.340 -16.227 0.000 0.212 952 L C 1.739 178.438 176.870 -0.285 0.000 1.105 952 L CA 0.977 55.526 54.840 -0.486 0.000 0.775 952 L CB -0.086 41.368 42.059 -1.009 0.000 0.913 952 L HN 0.110 nan 8.230 nan 0.000 0.440 953 S N -0.640 114.883 115.700 -0.294 0.000 2.497 953 S HA -0.032 -5.298 4.470 -16.227 0.000 0.221 953 S C 1.764 176.200 174.600 -0.273 0.000 1.037 953 S CA 0.112 58.236 58.200 -0.126 0.000 0.920 953 S CB 0.203 63.365 63.200 -0.063 0.000 0.800 953 S HN 0.437 nan 8.310 nan 0.000 0.505 954 K N 1.572 121.637 120.400 -0.559 0.000 2.280 954 K HA -0.058 -5.474 4.320 -16.227 0.000 0.202 954 K C 0.230 176.682 176.600 -0.246 0.000 1.047 954 K CA 1.523 57.465 56.287 -0.575 0.000 0.942 954 K CB -0.177 31.765 32.500 -0.931 0.000 0.739 954 K HN 0.122 nan 8.250 nan 0.000 0.457 955 D N 0.960 121.260 120.400 -0.166 0.000 2.340 955 D HA 0.029 -5.067 4.640 -16.227 0.000 0.217 955 D C -0.562 175.766 176.300 0.047 0.000 1.081 955 D CA 0.356 54.320 54.000 -0.060 0.000 0.842 955 D CB 0.271 41.029 40.800 -0.071 0.000 0.934 955 D HN 0.286 nan 8.370 nan 0.000 0.511 956 D N 1.070 121.506 120.400 0.061 0.000 2.620 956 D HA 0.001 -5.095 4.640 -16.227 0.000 0.252 956 D C 0.941 177.284 176.300 0.071 0.000 1.207 956 D CA -0.295 53.796 54.000 0.151 0.000 0.884 956 D CB 2.065 42.937 40.800 0.119 0.000 1.262 956 D HN -0.104 nan 8.370 nan 0.000 0.552 957 E N 3.400 123.656 120.200 0.094 0.000 2.086 957 E HA -0.204 -5.591 4.350 -16.227 0.000 0.200 957 E C 1.341 177.928 176.600 -0.021 0.000 1.012 957 E CA 1.265 57.686 56.400 0.034 0.000 0.812 957 E CB 0.235 29.959 29.700 0.041 0.000 0.743 957 E HN 0.591 nan 8.360 nan 0.000 0.453 958 L N 0.119 121.271 121.223 -0.117 0.000 2.109 958 L HA -0.128 -5.524 4.340 -16.227 0.000 0.207 958 L C 2.672 179.544 176.870 0.004 0.000 1.086 958 L CA 0.255 55.054 54.840 -0.069 0.000 0.760 958 L CB -0.341 41.636 42.059 -0.137 0.000 0.910 958 L HN 0.263 nan 8.230 nan 0.000 0.437 959 L N -0.044 121.189 121.223 0.017 0.000 2.083 959 L HA -0.202 -5.598 4.340 -16.227 0.000 0.209 959 L C 2.304 179.255 176.870 0.135 0.000 1.083 959 L CA 1.542 56.432 54.840 0.083 0.000 0.752 959 L CB -0.546 41.587 42.059 0.124 0.000 0.899 959 L HN 0.122 nan 8.230 nan 0.000 0.433 960 L N -0.638 120.644 121.223 0.099 0.000 2.083 960 L HA -0.234 -5.630 4.340 -16.227 0.000 0.209 960 L C 2.454 179.463 176.870 0.232 0.000 1.083 960 L CA 1.742 56.666 54.840 0.139 0.000 0.752 960 L CB -0.652 41.441 42.059 0.057 0.000 0.899 960 L HN 0.430 nan 8.230 nan 0.000 0.433 961 Q N -0.936 118.952 119.800 0.146 0.000 2.119 961 Q HA -0.179 -5.575 4.340 -16.227 0.000 0.201 961 Q C 1.998 178.066 176.000 0.113 0.000 0.972 961 Q CA 1.462 57.340 55.803 0.125 0.000 0.847 961 Q CB -0.101 28.687 28.738 0.083 0.000 0.903 961 Q HN 0.490 nan 8.270 nan 0.000 0.433 962 E N -0.125 120.141 120.200 0.110 0.000 2.106 962 E HA -0.189 -5.575 4.350 -16.227 0.000 0.192 962 E C 1.463 178.123 176.600 0.099 0.000 0.984 962 E CA 0.744 57.186 56.400 0.070 0.000 0.806 962 E CB -0.299 29.422 29.700 0.035 0.000 0.750 962 E HN 0.482 nan 8.360 nan 0.000 0.458 963 W N 1.701 123.004 121.300 0.005 0.000 2.355 963 W HA -0.141 -5.218 4.660 -16.227 0.000 0.309 963 W C 1.987 178.509 176.519 0.005 0.000 1.206 963 W CA 1.338 58.698 57.345 0.025 0.000 1.284 963 W CB -0.426 29.078 29.460 0.073 0.000 1.145 963 W HN -0.028 nan 8.180 nan 0.000 0.502 964 L N 0.812 122.116 121.223 0.134 0.000 2.012 964 L HA -0.292 -5.688 4.340 -16.227 0.000 0.210 964 L C 2.582 179.343 176.870 -0.182 0.000 1.073 964 L CA 1.916 56.707 54.840 -0.082 0.000 0.748 964 L CB -0.942 41.168 42.059 0.084 0.000 0.891 964 L HN -0.042 nan 8.230 nan 0.000 0.431 965 K N -0.704 119.638 120.400 -0.096 0.000 2.063 965 K HA -0.147 -5.564 4.320 -16.227 0.000 0.208 965 K C 2.059 178.574 176.600 -0.141 0.000 1.048 965 K CA 1.866 58.093 56.287 -0.100 0.000 0.928 965 K CB -0.324 32.137 32.500 -0.065 0.000 0.713 965 K HN 0.334 nan 8.250 nan 0.000 0.442 966 T N 1.015 115.460 114.554 -0.182 0.000 2.777 966 T HA -0.091 -5.477 4.350 -16.227 0.000 0.266 966 T C 2.067 176.634 174.700 -0.222 0.000 1.040 966 T CA 1.107 63.097 62.100 -0.184 0.000 1.141 966 T CB -0.150 68.615 68.868 -0.173 0.000 0.868 966 T HN -0.053 nan 8.240 nan 0.000 0.444 967 V N 1.257 120.927 119.914 -0.407 0.000 2.307 967 V HA -0.158 -5.775 4.120 -16.227 0.000 0.245 967 V C 2.726 178.722 176.094 -0.162 0.000 1.045 967 V CA 1.887 63.993 62.300 -0.323 0.000 1.024 967 V CB -0.908 30.546 31.823 -0.615 0.000 0.651 967 V HN 0.482 nan 8.190 nan 0.000 0.449 968 S N -0.396 115.195 115.700 -0.183 0.000 2.387 968 S HA -0.248 -5.514 4.470 -16.227 0.000 0.230 968 S C 2.183 176.772 174.600 -0.019 0.000 1.035 968 S CA 2.104 60.241 58.200 -0.104 0.000 1.014 968 S CB -0.214 62.927 63.200 -0.099 0.000 0.836 968 S HN 0.434 nan 8.310 nan 0.000 0.466 969 R N 0.775 121.244 120.500 -0.052 0.000 2.317 969 R HA 0.380 -5.016 4.340 -16.227 0.000 0.208 969 R C 0.388 176.657 176.300 -0.052 0.000 0.914 969 R CA 0.263 56.341 56.100 -0.038 0.000 1.060 969 R CB -0.708 29.557 30.300 -0.058 0.000 1.015 969 R HN 0.491 nan 8.270 nan 0.000 0.498 970 S N 1.931 117.590 115.700 -0.068 0.000 2.537 970 S HA 0.019 -5.247 4.470 -16.227 0.000 0.286 970 S C -0.068 174.415 174.600 -0.194 0.000 1.299 970 S CA -0.086 58.041 58.200 -0.122 0.000 1.067 970 S CB 0.836 63.985 63.200 -0.085 0.000 0.864 970 S HN 0.416 nan 8.310 nan 0.000 0.494 971 D N 3.011 123.242 120.400 -0.281 0.000 2.608 971 D HA 0.068 -5.029 4.640 -16.227 0.000 0.224 971 D C -0.168 175.903 176.300 -0.382 0.000 1.123 971 D CA -0.186 53.655 54.000 -0.265 0.000 1.030 971 D CB -0.054 40.626 40.800 -0.200 0.000 1.093 971 D HN 0.174 nan 8.370 nan 0.000 0.497 972 R N 2.036 122.351 120.500 -0.308 0.000 2.514 972 R HA 0.258 -5.138 4.340 -16.227 0.000 0.301 972 R C 1.078 177.292 176.300 -0.144 0.000 0.962 972 R CA -0.655 55.244 56.100 -0.336 0.000 0.882 972 R CB 1.350 31.382 30.300 -0.448 0.000 1.143 972 R HN 0.090 nan 8.270 nan 0.000 0.452 973 K N 0.650 120.986 120.400 -0.106 0.000 2.148 973 K HA -0.121 -5.537 4.320 -16.227 0.000 0.204 973 K C 0.683 177.303 176.600 0.033 0.000 1.050 973 K CA 1.502 57.782 56.287 -0.011 0.000 0.942 973 K CB 0.143 32.639 32.500 -0.007 0.000 0.724 973 K HN 0.553 nan 8.250 nan 0.000 0.446 974 D N 0.214 120.616 120.400 0.003 0.000 2.434 974 D HA -0.039 -5.136 4.640 -16.227 0.000 0.232 974 D C 1.169 177.494 176.300 0.041 0.000 1.166 974 D CA -0.133 53.900 54.000 0.054 0.000 0.830 974 D CB -0.178 40.670 40.800 0.081 0.000 0.960 974 D HN 0.019 nan 8.370 nan 0.000 0.497 975 I N -0.114 120.455 120.570 -0.001 0.000 2.264 975 I HA -0.257 -5.824 4.170 -16.227 0.000 0.248 975 I C 1.432 177.429 176.117 -0.201 0.000 1.111 975 I CA 1.405 62.641 61.300 -0.108 0.000 1.382 975 I CB -0.268 37.664 38.000 -0.114 0.000 1.060 975 I HN -0.038 nan 8.210 nan 0.000 0.418 976 Y N 0.720 120.976 120.300 -0.073 0.000 2.224 976 Y HA -0.220 -5.406 4.550 -16.227 0.000 0.289 976 Y C 2.468 178.329 175.900 -0.065 0.000 1.146 976 Y CA 1.639 59.677 58.100 -0.104 0.000 1.182 976 Y CB -0.459 37.977 38.460 -0.039 0.000 0.983 976 Y HN 0.191 nan 8.280 nan 0.000 0.524 977 E N 0.098 120.369 120.200 0.119 0.000 2.106 977 E HA -0.144 -5.531 4.350 -16.227 0.000 0.192 977 E C 2.129 178.754 176.600 0.043 0.000 0.984 977 E CA 1.147 57.589 56.400 0.070 0.000 0.806 977 E CB -0.429 29.309 29.700 0.065 0.000 0.750 977 E HN 0.464 nan 8.360 nan 0.000 0.458 978 I N 0.223 120.819 120.570 0.043 0.000 2.315 978 I HA -0.244 -5.810 4.170 -16.227 0.000 0.248 978 I C 2.005 178.125 176.117 0.006 0.000 1.117 978 I CA 0.851 62.190 61.300 0.064 0.000 1.404 978 I CB -0.172 37.888 38.000 0.099 0.000 1.071 978 I HN 0.100 nan 8.210 nan 0.000 0.419 979 L N 0.396 121.560 121.223 -0.099 0.000 2.093 979 L HA -0.213 -5.609 4.340 -16.227 0.000 0.208 979 L C 2.566 179.410 176.870 -0.043 0.000 1.085 979 L CA 1.116 55.866 54.840 -0.150 0.000 0.755 979 L CB -0.506 41.365 42.059 -0.314 0.000 0.904 979 L HN 0.156 nan 8.230 nan 0.000 0.435 980 K N 0.934 121.337 120.400 0.005 0.000 2.057 980 K HA -0.219 -5.635 4.320 -16.227 0.000 0.207 980 K C 2.090 178.713 176.600 0.037 0.000 1.049 980 K CA 1.519 57.830 56.287 0.039 0.000 0.931 980 K CB -0.110 32.417 32.500 0.046 0.000 0.714 980 K HN 0.046 nan 8.250 nan 0.000 0.440 981 K N -0.233 120.188 120.400 0.036 0.000 2.026 981 K HA -0.145 -5.561 4.320 -16.227 0.000 0.208 981 K C 1.848 178.499 176.600 0.086 0.000 1.048 981 K CA 1.426 57.743 56.287 0.051 0.000 0.929 981 K CB -0.144 32.385 32.500 0.049 0.000 0.713 981 K HN 0.032 nan 8.250 nan 0.000 0.439 982 L N 1.792 123.069 121.223 0.091 0.000 2.042 982 L HA -0.177 -5.573 4.340 -16.227 0.000 0.210 982 L C 2.096 179.000 176.870 0.057 0.000 1.076 982 L CA 1.756 56.650 54.840 0.091 0.000 0.749 982 L CB -0.569 41.494 42.059 0.006 0.000 0.893 982 L HN 0.258 nan 8.230 nan 0.000 0.432 983 E N -0.801 119.420 120.200 0.036 0.000 2.051 983 E HA -0.202 -5.588 4.350 -16.227 0.000 0.192 983 E C 1.894 178.533 176.600 0.064 0.000 0.991 983 E CA 1.277 57.714 56.400 0.062 0.000 0.799 983 E CB -0.135 29.622 29.700 0.095 0.000 0.748 983 E HN 0.493 nan 8.360 nan 0.000 0.449 984 N N 0.626 119.359 118.700 0.054 0.000 2.216 984 N HA -0.107 -5.104 4.740 -16.227 0.000 0.183 984 N C 1.363 176.897 175.510 0.039 0.000 1.017 984 N CA 1.021 54.097 53.050 0.043 0.000 0.861 984 N CB 0.034 38.540 38.487 0.031 0.000 0.986 984 N HN 0.274 nan 8.380 nan 0.000 0.428 985 E N -0.556 119.672 120.200 0.046 0.000 2.340 985 E HA 0.117 -5.270 4.350 -16.227 0.000 0.198 985 E C 1.121 177.750 176.600 0.048 0.000 0.961 985 E CA 0.217 56.636 56.400 0.032 0.000 0.905 985 E CB 0.785 30.493 29.700 0.013 0.000 0.884 985 E HN 0.049 nan 8.360 nan 0.000 0.491 986 V N 0.041 120.006 119.914 0.085 0.000 3.161 986 V HA -0.029 -5.645 4.120 -16.227 0.000 0.221 986 V C 1.665 177.825 176.094 0.111 0.000 1.296 986 V CA 0.138 62.514 62.300 0.126 0.000 1.306 986 V CB -0.049 31.906 31.823 0.220 0.000 1.171 986 V HN 0.084 nan 8.190 nan 0.000 0.513 987 L N 0.610 121.890 121.223 0.095 0.000 2.023 987 L HA 0.088 -5.308 4.340 -16.227 0.000 0.205 987 L C 1.469 178.382 176.870 0.072 0.000 1.073 987 L CA 2.062 56.951 54.840 0.081 0.000 0.745 987 L CB -0.655 41.440 42.059 0.059 0.000 0.900 987 L HN 0.423 nan 8.230 nan 0.000 0.435 988 K N -1.018 119.423 120.400 0.068 0.000 1.939 988 K HA -0.278 -5.694 4.320 -16.227 0.000 0.165 988 K C 0.160 176.790 176.600 0.050 0.000 1.508 988 K CA 1.769 58.088 56.287 0.053 0.000 0.525 988 K CB -1.384 31.139 32.500 0.037 0.000 0.615 988 K HN 0.301 nan 8.250 nan 0.000 0.888 989 D N 1.246 121.655 120.400 0.014 0.000 2.722 989 D HA 0.079 -5.017 4.640 -16.227 0.000 0.239 989 D C -0.319 175.937 176.300 -0.074 0.000 1.249 989 D CA 0.156 54.143 54.000 -0.021 0.000 0.830 989 D CB 0.352 41.122 40.800 -0.050 0.000 1.025 989 D HN 0.296 nan 8.370 nan 0.000 0.486 990 S N 0.486 116.174 115.700 -0.020 0.000 2.552 990 S HA -0.001 -5.267 4.470 -16.227 0.000 0.289 990 S C 1.113 175.669 174.600 -0.075 0.000 1.304 990 S CA 0.159 58.341 58.200 -0.030 0.000 1.063 990 S CB 0.722 63.945 63.200 0.039 0.000 0.848 990 S HN 0.116 nan 8.310 nan 0.000 0.499 991 K N 2.606 122.906 120.400 -0.167 0.000 2.373 991 K HA 0.136 -5.280 4.320 -16.227 0.000 0.202 991 K C 0.116 176.751 176.600 0.058 0.000 1.025 991 K CA -0.303 55.841 56.287 -0.238 0.000 1.115 991 K CB 0.106 32.201 32.500 -0.675 0.000 0.858 991 K HN 0.477 nan 8.250 nan 0.000 0.525 992 N N 2.379 121.126 118.700 0.078 0.000 2.420 992 N HA 0.037 -4.959 4.740 -16.227 0.000 0.262 992 N C -2.095 173.502 175.510 0.147 0.000 1.144 992 N CA -1.769 51.355 53.050 0.123 0.000 0.952 992 N CB 1.357 39.910 38.487 0.110 0.000 1.081 992 N HN -0.141 nan 8.380 nan 0.000 0.480 993 P HA -0.095 nan 4.420 nan 0.000 0.216 993 P C 0.719 178.089 177.300 0.116 0.000 1.150 993 P CA 1.117 64.294 63.100 0.128 0.000 0.843 993 P CB 0.373 32.126 31.700 0.089 0.000 0.787 994 N N -0.714 118.057 118.700 0.117 0.000 2.166 994 N HA -0.138 -5.135 4.740 -16.227 0.000 0.186 994 N C 1.318 176.886 175.510 0.096 0.000 1.019 994 N CA 1.275 54.387 53.050 0.104 0.000 0.856 994 N CB -0.936 37.613 38.487 0.104 0.000 0.993 994 N HN 0.156 nan 8.380 nan 0.000 0.426 995 D N 0.518 120.981 120.400 0.104 0.000 2.084 995 D HA -0.022 -5.118 4.640 -16.227 0.000 0.196 995 D C 2.132 178.490 176.300 0.097 0.000 0.985 995 D CA 0.593 54.652 54.000 0.097 0.000 0.826 995 D CB -0.270 40.590 40.800 0.101 0.000 0.978 995 D HN 0.262 nan 8.370 nan 0.000 0.456 996 I N 0.721 121.378 120.570 0.146 0.000 2.179 996 I HA -0.234 -5.800 4.170 -16.227 0.000 0.242 996 I C 2.513 178.758 176.117 0.214 0.000 1.088 996 I CA 1.061 62.495 61.300 0.223 0.000 1.357 996 I CB -0.181 37.972 38.000 0.255 0.000 1.051 996 I HN -0.100 nan 8.210 nan 0.000 0.409 997 R N 0.744 121.330 120.500 0.143 0.000 2.096 997 R HA -0.118 -5.514 4.340 -16.227 0.000 0.235 997 R C 2.440 178.780 176.300 0.067 0.000 1.127 997 R CA 1.397 57.562 56.100 0.108 0.000 0.968 997 R CB -0.437 29.907 30.300 0.073 0.000 0.861 997 R HN 0.389 nan 8.270 nan 0.000 0.440 998 A N 0.569 123.414 122.820 0.042 0.000 1.930 998 A HA -0.088 -5.504 4.320 -16.227 0.000 0.217 998 A C 2.305 179.852 177.584 -0.063 0.000 1.175 998 A CA 1.192 53.230 52.037 0.001 0.000 0.627 998 A CB -0.327 18.687 19.000 0.023 0.000 0.815 998 A HN 0.109 nan 8.150 nan 0.000 0.443 999 V N -1.817 118.016 119.914 -0.136 0.000 2.453 999 V HA -0.195 -5.811 4.120 -16.227 0.000 0.247 999 V C 2.212 178.060 176.094 -0.411 0.000 1.048 999 V CA 1.804 63.882 62.300 -0.370 0.000 1.049 999 V CB -0.803 30.637 31.823 -0.637 0.000 0.672 999 V HN 0.673 nan 8.190 nan 0.000 0.457 1000 Y N -1.355 118.965 120.300 0.033 0.000 2.464 1000 Y HA 0.247 -4.940 4.550 -16.228 0.000 0.288 1000 Y C 2.042 177.970 175.900 0.047 0.000 1.133 1000 Y CA 0.158 58.296 58.100 0.063 0.000 1.223 1000 Y CB -0.265 38.238 38.460 0.072 0.000 1.187 1000 Y HN 0.031 nan 8.280 nan 0.000 0.539 1001 L N 0.270 121.572 121.223 0.131 0.000 2.017 1001 L HA -0.122 -5.519 4.340 -16.227 0.000 0.208 1001 L C -0.554 176.283 176.870 -0.054 0.000 1.073 1001 L CA 1.291 56.137 54.840 0.011 0.000 0.745 1001 L CB -1.626 40.434 42.059 0.002 0.000 0.894 1001 L HN 0.148 nan 8.230 nan 0.000 0.432 1002 P HA -0.233 nan 4.420 nan 0.000 0.216 1002 P C 1.555 178.825 177.300 -0.050 0.000 1.150 1002 P CA 1.308 64.376 63.100 -0.054 0.000 0.837 1002 P CB -0.114 31.556 31.700 -0.050 0.000 0.786 1003 F N 1.299 121.159 119.950 -0.150 0.000 2.161 1003 F HA -0.207 -5.416 4.527 -16.227 0.000 0.300 1003 F C 1.881 177.542 175.800 -0.232 0.000 1.089 1003 F CA 2.087 59.991 58.000 -0.159 0.000 1.282 1003 F CB -1.416 37.502 39.000 -0.136 0.000 1.010 1003 F HN -0.045 nan 8.300 nan 0.000 0.485 1004 T N -2.417 111.745 114.554 -0.654 0.000 3.051 1004 T HA -0.143 -5.529 4.350 -16.227 0.000 0.269 1004 T C 1.335 175.603 174.700 -0.720 0.000 1.127 1004 T CA 1.561 62.903 62.100 -1.264 0.000 1.107 1004 T CB -1.075 67.078 68.868 -1.190 0.000 0.898 1004 T HN 0.491 nan 8.240 nan 0.000 0.517 1005 N N 1.241 119.719 118.700 -0.370 0.000 2.398 1005 N HA 0.075 -4.921 4.740 -16.227 0.000 0.188 1005 N C 0.336 175.792 175.510 -0.090 0.000 1.122 1005 N CA -0.203 52.752 53.050 -0.159 0.000 0.866 1005 N CB 0.006 38.432 38.487 -0.101 0.000 0.970 1005 N HN 0.235 nan 8.380 nan 0.000 0.462 1006 N N 1.992 120.589 118.700 -0.171 0.000 2.421 1006 N HA -0.017 -5.013 4.740 -16.227 0.000 0.260 1006 N C 0.815 176.352 175.510 0.044 0.000 1.173 1006 N CA -0.096 52.910 53.050 -0.073 0.000 0.960 1006 N CB 0.592 39.013 38.487 -0.111 0.000 1.273 1006 N HN 0.151 nan 8.380 nan 0.000 0.497 1007 L N 4.682 125.977 121.223 0.120 0.000 2.012 1007 L HA -0.101 -5.497 4.340 -16.227 0.000 0.210 1007 L C 2.319 179.323 176.870 0.224 0.000 1.073 1007 L CA 1.780 56.758 54.840 0.230 0.000 0.748 1007 L CB -0.298 41.846 42.059 0.142 0.000 0.891 1007 L HN 0.545 nan 8.230 nan 0.000 0.431 1008 R N -1.627 118.953 120.500 0.133 0.000 2.093 1008 R HA -0.025 -5.421 4.340 -16.227 0.000 0.224 1008 R C 2.204 178.576 176.300 0.120 0.000 1.101 1008 R CA 0.815 56.981 56.100 0.110 0.000 0.979 1008 R CB 0.077 30.425 30.300 0.079 0.000 0.877 1008 R HN 0.298 nan 8.270 nan 0.000 0.441 1009 R N -0.964 119.611 120.500 0.124 0.000 2.123 1009 R HA -0.001 -5.397 4.340 -16.227 0.000 0.209 1009 R C 1.986 178.397 176.300 0.185 0.000 1.078 1009 R CA 0.531 56.752 56.100 0.202 0.000 1.028 1009 R CB -0.718 29.731 30.300 0.249 0.000 0.939 1009 R HN 0.172 nan 8.270 nan 0.000 0.463 1010 F N 2.233 122.017 119.950 -0.276 0.000 2.171 1010 F HA -0.139 -5.348 4.527 -16.227 0.000 0.300 1010 F C 1.601 177.170 175.800 -0.384 0.000 1.090 1010 F CA 1.503 59.175 58.000 -0.548 0.000 1.293 1010 F CB -0.142 38.297 39.000 -0.936 0.000 1.013 1010 F HN 0.065 nan 8.300 nan 0.000 0.486 1011 H N 0.405 119.340 119.070 -0.226 0.000 2.567 1011 H HA 0.061 -5.119 4.556 -16.227 0.000 0.294 1011 H C 0.085 175.258 175.328 -0.257 0.000 1.050 1011 H CA 0.033 55.914 56.048 -0.279 0.000 1.168 1011 H CB -1.081 28.701 29.762 0.032 0.000 1.422 1011 H HN 0.276 nan 8.280 nan 0.000 0.562 1012 D N 1.294 121.589 120.400 -0.175 0.000 2.583 1012 D HA -0.131 -5.228 4.640 -16.227 0.000 0.232 1012 D C 1.299 177.481 176.300 -0.197 0.000 1.128 1012 D CA -0.014 53.912 54.000 -0.123 0.000 0.859 1012 D CB 0.827 41.567 40.800 -0.100 0.000 1.169 1012 D HN 0.174 nan 8.370 nan 0.000 0.481 1013 I N 3.645 124.160 120.570 -0.092 0.000 2.850 1013 I HA -0.241 -5.807 4.170 -16.227 0.000 0.266 1013 I C 2.297 178.370 176.117 -0.073 0.000 1.257 1013 I CA 1.091 62.357 61.300 -0.056 0.000 1.465 1013 I CB -0.238 37.754 38.000 -0.013 0.000 1.091 1013 I HN 0.430 nan 8.210 nan 0.000 0.467 1014 S N -0.132 115.498 115.700 -0.116 0.000 2.481 1014 S HA 0.107 -5.159 4.470 -16.227 0.000 0.231 1014 S C 1.888 176.414 174.600 -0.123 0.000 0.996 1014 S CA 0.503 58.638 58.200 -0.108 0.000 0.942 1014 S CB -0.555 62.568 63.200 -0.129 0.000 0.768 1014 S HN 0.734 nan 8.310 nan 0.000 0.520 1015 G N 2.266 110.923 108.800 -0.238 0.000 2.159 1015 G HA2 -0.375 -6.151 3.960 -16.227 0.000 0.256 1015 G HA3 -0.375 -6.151 3.960 -16.227 0.000 0.256 1015 G C 0.761 175.506 174.900 -0.259 0.000 0.977 1015 G CA 0.593 45.518 45.100 -0.292 0.000 0.652 1015 G HN 0.791 nan 8.290 nan 0.000 0.531 1016 K N -0.008 120.243 120.400 -0.248 0.000 2.209 1016 K HA 0.165 -5.251 4.320 -16.227 0.000 0.204 1016 K C 2.443 179.038 176.600 -0.009 0.000 1.048 1016 K CA 1.598 57.788 56.287 -0.162 0.000 0.940 1016 K CB -0.549 31.769 32.500 -0.303 0.000 0.729 1016 K HN 0.533 nan 8.250 nan 0.000 0.451 1017 G N 0.726 109.482 108.800 -0.072 0.000 2.402 1017 G HA2 -0.206 -5.983 3.960 -16.227 0.000 0.216 1017 G HA3 -0.206 -5.983 3.960 -16.227 0.000 0.216 1017 G C 0.951 175.921 174.900 0.116 0.000 1.162 1017 G CA 0.565 45.765 45.100 0.167 0.000 0.777 1017 G HN 0.265 nan 8.290 nan 0.000 0.539 1018 Y N 0.832 121.043 120.300 -0.149 0.000 2.242 1018 Y HA 0.028 -5.158 4.550 -16.227 0.000 0.291 1018 Y C 2.609 178.652 175.900 0.238 0.000 1.137 1018 Y CA 0.725 58.832 58.100 0.011 0.000 1.181 1018 Y CB -0.746 37.727 38.460 0.021 0.000 0.989 1018 Y HN 0.203 nan 8.280 nan 0.000 0.527 1019 K N 0.247 120.815 120.400 0.279 0.000 2.057 1019 K HA -0.181 -5.598 4.320 -16.227 0.000 0.207 1019 K C 2.098 178.818 176.600 0.201 0.000 1.049 1019 K CA 1.130 57.539 56.287 0.203 0.000 0.931 1019 K CB -0.429 32.137 32.500 0.109 0.000 0.714 1019 K HN 0.208 nan 8.250 nan 0.000 0.440 1020 L N 1.382 122.747 121.223 0.236 0.000 1.989 1020 L HA -0.189 -5.585 4.340 -16.227 0.000 0.211 1020 L C 1.994 178.965 176.870 0.168 0.000 1.071 1020 L CA 1.644 56.617 54.840 0.221 0.000 0.749 1020 L CB -0.450 41.811 42.059 0.336 0.000 0.890 1020 L HN 0.217 nan 8.230 nan 0.000 0.431 1021 I N 0.108 120.856 120.570 0.298 0.000 2.286 1021 I HA -0.220 -5.787 4.170 -16.227 0.000 0.248 1021 I C 2.711 178.962 176.117 0.224 0.000 1.115 1021 I CA 1.386 62.827 61.300 0.235 0.000 1.392 1021 I CB -2.052 36.169 38.000 0.370 0.000 1.065 1021 I HN 0.382 nan 8.210 nan 0.000 0.418 1022 A N 0.727 123.742 122.820 0.324 0.000 1.908 1022 A HA -0.223 -5.639 4.320 -16.227 0.000 0.218 1022 A C 2.269 179.890 177.584 0.061 0.000 1.181 1022 A CA 1.694 53.842 52.037 0.184 0.000 0.627 1022 A CB -0.639 18.457 19.000 0.161 0.000 0.818 1022 A HN 0.476 nan 8.150 nan 0.000 0.445 1023 E N -0.490 119.743 120.200 0.056 0.000 2.077 1023 E HA -0.126 -5.512 4.350 -16.227 0.000 0.193 1023 E C 1.975 178.553 176.600 -0.037 0.000 0.989 1023 E CA 1.328 57.735 56.400 0.012 0.000 0.800 1023 E CB -0.258 29.457 29.700 0.025 0.000 0.746 1023 E HN 0.412 nan 8.360 nan 0.000 0.452 1024 V N 1.242 121.092 119.914 -0.106 0.000 2.358 1024 V HA -0.250 -5.866 4.120 -16.227 0.000 0.246 1024 V C 2.201 178.221 176.094 -0.123 0.000 1.047 1024 V CA 1.474 63.650 62.300 -0.206 0.000 1.035 1024 V CB -0.383 31.098 31.823 -0.571 0.000 0.658 1024 V HN 0.252 nan 8.190 nan 0.000 0.452 1025 I N -0.006 120.520 120.570 -0.074 0.000 2.179 1025 I HA -0.253 -5.819 4.170 -16.227 0.000 0.242 1025 I C 2.580 178.639 176.117 -0.096 0.000 1.088 1025 I CA 1.979 63.237 61.300 -0.070 0.000 1.357 1025 I CB -0.670 37.319 38.000 -0.018 0.000 1.051 1025 I HN 0.286 nan 8.210 nan 0.000 0.409 1026 T N 0.369 114.882 114.554 -0.067 0.000 2.746 1026 T HA -0.238 -5.624 4.350 -16.227 0.000 0.267 1026 T C 1.943 176.605 174.700 -0.063 0.000 1.039 1026 T CA 1.484 63.547 62.100 -0.062 0.000 1.142 1026 T CB -0.183 68.663 68.868 -0.037 0.000 0.866 1026 T HN 0.295 nan 8.240 nan 0.000 0.444 1027 K N 0.396 120.770 120.400 -0.043 0.000 2.057 1027 K HA -0.117 -5.533 4.320 -16.227 0.000 0.207 1027 K C 2.270 178.834 176.600 -0.060 0.000 1.049 1027 K CA 1.519 57.810 56.287 0.007 0.000 0.931 1027 K CB -0.207 32.325 32.500 0.054 0.000 0.714 1027 K HN 0.241 nan 8.250 nan 0.000 0.440 1028 T N 0.846 115.274 114.554 -0.210 0.000 2.821 1028 T HA -0.139 -5.526 4.350 -16.227 0.000 0.267 1028 T C 1.288 175.522 174.700 -0.777 0.000 1.046 1028 T CA 1.593 63.300 62.100 -0.654 0.000 1.139 1028 T CB -0.379 68.254 68.868 -0.392 0.000 0.871 1028 T HN 0.374 nan 8.240 nan 0.000 0.454 1029 D N 0.971 121.146 120.400 -0.375 0.000 2.265 1029 D HA -0.076 -5.172 4.640 -16.227 0.000 0.208 1029 D C 2.021 178.194 176.300 -0.212 0.000 0.977 1029 D CA 0.935 54.775 54.000 -0.266 0.000 0.871 1029 D CB -0.044 40.664 40.800 -0.155 0.000 0.925 1029 D HN 0.317 nan 8.370 nan 0.000 0.485 1030 K N -1.129 119.168 120.400 -0.171 0.000 2.147 1030 K HA -0.112 -5.528 4.320 -16.227 0.000 0.205 1030 K C 1.527 178.174 176.600 0.078 0.000 1.049 1030 K CA 1.363 57.644 56.287 -0.009 0.000 0.936 1030 K CB -0.133 32.425 32.500 0.096 0.000 0.722 1030 K HN 0.421 nan 8.250 nan 0.000 0.446 1031 F N -2.675 117.286 119.950 0.018 0.000 2.778 1031 F HA 0.360 -4.849 4.527 -16.227 0.000 0.314 1031 F C 0.204 176.024 175.800 0.033 0.000 1.073 1031 F CA -0.832 57.202 58.000 0.056 0.000 1.218 1031 F CB 0.407 39.449 39.000 0.070 0.000 1.037 1031 F HN -0.254 nan 8.300 nan 0.000 0.594 1032 N N 1.377 119.825 118.700 -0.420 0.000 2.710 1032 N HA 0.309 -4.687 4.740 -16.227 0.000 0.244 1032 N C -2.515 172.829 175.510 -0.278 0.000 1.321 1032 N CA -1.927 50.972 53.050 -0.253 0.000 0.758 1032 N CB 1.301 39.689 38.487 -0.164 0.000 1.284 1032 N HN -0.170 nan 8.380 nan 0.000 0.530 1033 P HA -0.116 nan 4.420 nan 0.000 0.216 1033 P C 1.710 178.908 177.300 -0.171 0.000 1.150 1033 P CA 1.063 64.063 63.100 -0.167 0.000 0.837 1033 P CB 0.419 32.050 31.700 -0.115 0.000 0.786 1034 M N -0.800 118.699 119.600 -0.168 0.000 2.067 1034 M HA -0.143 -5.400 4.480 -16.227 0.000 0.260 1034 M C 1.693 177.888 176.300 -0.176 0.000 1.069 1034 M CA 1.940 57.135 55.300 -0.174 0.000 1.117 1034 M CB -0.520 31.968 32.600 -0.187 0.000 1.334 1034 M HN -0.243 nan 8.290 nan 0.000 0.407 1035 V N 0.763 120.577 119.914 -0.167 0.000 2.427 1035 V HA -0.209 -5.825 4.120 -16.227 0.000 0.248 1035 V C 2.665 178.670 176.094 -0.148 0.000 1.051 1035 V CA 1.686 63.905 62.300 -0.135 0.000 1.048 1035 V CB -1.488 30.279 31.823 -0.094 0.000 0.666 1035 V HN 0.650 nan 8.190 nan 0.000 0.456 1036 A N 0.088 122.792 122.820 -0.194 0.000 1.917 1036 A HA -0.265 -5.681 4.320 -16.227 0.000 0.219 1036 A C 2.400 179.880 177.584 -0.174 0.000 1.182 1036 A CA 2.697 54.625 52.037 -0.182 0.000 0.633 1036 A CB -1.000 17.876 19.000 -0.206 0.000 0.819 1036 A HN 0.507 nan 8.150 nan 0.000 0.448 1037 T N -0.092 114.323 114.554 -0.231 0.000 2.867 1037 T HA -0.133 -5.520 4.350 -16.227 0.000 0.268 1037 T C 1.997 176.470 174.700 -0.379 0.000 1.057 1037 T CA 1.563 63.428 62.100 -0.391 0.000 1.136 1037 T CB -0.237 68.357 68.868 -0.457 0.000 0.874 1037 T HN 0.642 nan 8.240 nan 0.000 0.466 1038 Q N 0.528 120.193 119.800 -0.225 0.000 2.124 1038 Q HA 0.028 -5.369 4.340 -16.227 0.000 0.202 1038 Q C 2.132 178.090 176.000 -0.069 0.000 0.977 1038 Q CA 1.050 56.772 55.803 -0.135 0.000 0.850 1038 Q CB -0.402 28.281 28.738 -0.091 0.000 0.901 1038 Q HN 0.462 nan 8.270 nan 0.000 0.429 1039 L N -0.441 120.749 121.223 -0.055 0.000 2.465 1039 L HA -0.115 -5.512 4.340 -16.227 0.000 0.224 1039 L C 1.881 178.804 176.870 0.087 0.000 1.145 1039 L CA 0.094 54.941 54.840 0.010 0.000 0.834 1039 L CB -0.090 41.970 42.059 0.001 0.000 0.944 1039 L HN 0.335 nan 8.230 nan 0.000 0.451 1040 C N -0.413 118.935 119.300 0.079 0.000 2.522 1040 C HA -0.081 -5.357 4.460 -16.227 0.000 0.271 1040 C C 2.528 177.727 174.990 0.347 0.000 1.425 1040 C CA 0.148 59.334 59.018 0.281 0.000 1.751 1040 C CB -0.816 27.038 27.740 0.190 0.000 1.775 1040 C HN 0.558 nan 8.230 nan 0.000 0.557 1041 E N 1.776 122.081 120.200 0.177 0.000 2.114 1041 E HA -0.246 -5.632 4.350 -16.227 0.000 0.199 1041 E C -0.775 175.911 176.600 0.144 0.000 1.008 1041 E CA 1.790 58.288 56.400 0.162 0.000 0.810 1041 E CB -0.522 29.220 29.700 0.070 0.000 0.739 1041 E HN 0.429 nan 8.360 nan 0.000 0.456 1042 P HA -0.150 nan 4.420 nan 0.000 0.218 1042 P C 0.609 177.923 177.300 0.024 0.000 1.148 1042 P CA 1.203 64.261 63.100 -0.069 0.000 0.822 1042 P CB -0.153 31.350 31.700 -0.329 0.000 0.784 1043 F N -0.150 119.926 119.950 0.210 0.000 2.699 1043 F HA 0.014 -5.196 4.527 -16.228 0.000 0.298 1043 F C 1.932 177.913 175.800 0.302 0.000 1.154 1043 F CA 0.882 59.010 58.000 0.214 0.000 1.457 1043 F CB -0.721 38.362 39.000 0.138 0.000 1.106 1043 F HN -0.126 nan 8.300 nan 0.000 0.585 1044 K N 0.331 120.965 120.400 0.390 0.000 2.209 1044 K HA -0.126 -5.542 4.320 -16.227 0.000 0.204 1044 K C 1.312 178.051 176.600 0.232 0.000 1.048 1044 K CA 1.151 57.627 56.287 0.316 0.000 0.940 1044 K CB -0.291 32.350 32.500 0.236 0.000 0.729 1044 K HN 0.270 nan 8.250 nan 0.000 0.451 1045 L N -1.026 120.313 121.223 0.193 0.000 2.653 1045 L HA 0.127 -5.269 4.340 -16.227 0.000 0.231 1045 L C 1.614 178.509 176.870 0.042 0.000 1.153 1045 L CA -0.285 54.598 54.840 0.072 0.000 0.933 1045 L CB -1.347 40.753 42.059 0.068 0.000 1.175 1045 L HN 0.231 nan 8.230 nan 0.000 0.473 1046 W N 2.173 123.513 121.300 0.067 0.000 2.321 1046 W HA -0.254 -5.331 4.660 -16.227 0.000 0.306 1046 W C 1.266 177.800 176.519 0.024 0.000 1.217 1046 W CA 1.454 58.826 57.345 0.046 0.000 1.257 1046 W CB -1.165 28.350 29.460 0.091 0.000 1.145 1046 W HN 0.611 nan 8.180 nan 0.000 0.509 1047 N N 1.180 119.252 118.700 -1.048 0.000 2.461 1047 N HA -0.081 -5.077 4.740 -16.227 0.000 0.188 1047 N C 1.059 176.302 175.510 -0.446 0.000 1.134 1047 N CA 0.616 53.048 53.050 -1.031 0.000 0.878 1047 N CB -0.653 36.897 38.487 -1.561 0.000 0.972 1047 N HN 0.339 nan 8.380 nan 0.000 0.456 1048 K N -0.119 120.110 120.400 -0.285 0.000 2.367 1048 K HA 0.262 -5.154 4.320 -16.227 0.000 0.194 1048 K C 0.427 176.969 176.600 -0.098 0.000 1.027 1048 K CA -0.010 56.175 56.287 -0.169 0.000 1.075 1048 K CB 0.615 33.032 32.500 -0.138 0.000 0.845 1048 K HN 0.157 nan 8.250 nan 0.000 0.529 1049 L N 1.830 123.016 121.223 -0.061 0.000 2.448 1049 L HA 0.113 -5.283 4.340 -16.227 0.000 0.258 1049 L C 0.639 177.518 176.870 0.015 0.000 1.104 1049 L CA -0.954 53.878 54.840 -0.013 0.000 0.800 1049 L CB 0.299 42.372 42.059 0.024 0.000 1.241 1049 L HN 0.236 nan 8.230 nan 0.000 0.472 1050 D N -0.970 119.456 120.400 0.043 0.000 2.419 1050 D HA -0.090 -5.186 4.640 -16.227 0.000 0.236 1050 D C 0.918 177.257 176.300 0.066 0.000 1.165 1050 D CA 0.322 54.355 54.000 0.056 0.000 0.882 1050 D CB 0.969 41.808 40.800 0.064 0.000 1.201 1050 D HN 0.775 nan 8.370 nan 0.000 0.443 1051 T N -0.389 114.200 114.554 0.058 0.000 2.737 1051 T HA -0.291 -5.677 4.350 -16.227 0.000 0.269 1051 T C 1.668 176.423 174.700 0.091 0.000 1.040 1051 T CA 1.499 63.640 62.100 0.069 0.000 1.142 1051 T CB -0.180 68.720 68.868 0.053 0.000 0.861 1051 T HN 0.404 nan 8.240 nan 0.000 0.456 1052 K N 1.362 121.813 120.400 0.086 0.000 2.025 1052 K HA 0.068 -5.348 4.320 -16.227 0.000 0.207 1052 K C 2.563 179.248 176.600 0.142 0.000 1.049 1052 K CA 1.163 57.508 56.287 0.097 0.000 0.933 1052 K CB -0.311 32.235 32.500 0.076 0.000 0.714 1052 K HN 0.374 nan 8.250 nan 0.000 0.438 1053 R N 0.113 120.711 120.500 0.163 0.000 2.115 1053 R HA -0.055 -5.451 4.340 -16.227 0.000 0.230 1053 R C 2.487 178.913 176.300 0.210 0.000 1.111 1053 R CA 1.450 57.698 56.100 0.246 0.000 0.976 1053 R CB -0.168 30.287 30.300 0.258 0.000 0.870 1053 R HN 0.389 nan 8.270 nan 0.000 0.445 1054 Q N 0.009 119.924 119.800 0.193 0.000 2.030 1054 Q HA -0.228 -5.624 4.340 -16.227 0.000 0.204 1054 Q C 2.224 178.388 176.000 0.274 0.000 0.986 1054 Q CA 2.113 58.088 55.803 0.286 0.000 0.843 1054 Q CB -0.152 28.729 28.738 0.238 0.000 0.904 1054 Q HN 0.246 nan 8.270 nan 0.000 0.420 1055 E N 0.876 121.190 120.200 0.191 0.000 2.051 1055 E HA -0.167 -5.553 4.350 -16.227 0.000 0.192 1055 E C 2.005 178.679 176.600 0.122 0.000 0.991 1055 E CA 1.033 57.515 56.400 0.138 0.000 0.799 1055 E CB -0.474 29.291 29.700 0.108 0.000 0.748 1055 E HN 0.453 nan 8.360 nan 0.000 0.449 1056 L N -0.503 120.822 121.223 0.169 0.000 2.017 1056 L HA -0.118 -5.514 4.340 -16.227 0.000 0.208 1056 L C 3.086 180.080 176.870 0.207 0.000 1.073 1056 L CA 1.994 56.969 54.840 0.224 0.000 0.745 1056 L CB -0.458 41.821 42.059 0.367 0.000 0.894 1056 L HN 0.322 nan 8.230 nan 0.000 0.432 1057 M N -0.952 118.706 119.600 0.095 0.000 2.132 1057 M HA -0.214 -5.470 4.480 -16.227 0.000 0.263 1057 M C 2.344 178.625 176.300 -0.031 0.000 1.065 1057 M CA 1.529 56.849 55.300 0.033 0.000 1.122 1057 M CB -0.323 32.272 32.600 -0.009 0.000 1.365 1057 M HN 0.224 nan 8.290 nan 0.000 0.411 1058 L N 1.153 122.306 121.223 -0.116 0.000 2.079 1058 L HA -0.206 -5.602 4.340 -16.227 0.000 0.210 1058 L C 1.846 178.591 176.870 -0.207 0.000 1.081 1058 L CA 1.878 56.516 54.840 -0.338 0.000 0.752 1058 L CB -0.914 40.969 42.059 -0.293 0.000 0.896 1058 L HN 0.244 nan 8.230 nan 0.000 0.433 1059 N N -0.171 118.485 118.700 -0.074 0.000 2.069 1059 N HA -0.177 -5.173 4.740 -16.227 0.000 0.191 1059 N C 1.744 177.219 175.510 -0.060 0.000 1.031 1059 N CA 1.458 54.482 53.050 -0.043 0.000 0.852 1059 N CB -0.272 38.226 38.487 0.018 0.000 1.018 1059 N HN 0.396 nan 8.380 nan 0.000 0.423 1060 E N 0.477 120.659 120.200 -0.031 0.000 2.110 1060 E HA -0.072 -5.458 4.350 -16.227 0.000 0.193 1060 E C 2.029 178.492 176.600 -0.227 0.000 0.988 1060 E CA 0.667 57.037 56.400 -0.050 0.000 0.804 1060 E CB -0.225 29.546 29.700 0.117 0.000 0.745 1060 E HN 0.476 nan 8.360 nan 0.000 0.458 1061 M N 0.656 120.035 119.600 -0.368 0.000 2.132 1061 M HA -0.122 -5.378 4.480 -16.227 0.000 0.263 1061 M C 1.773 177.906 176.300 -0.277 0.000 1.065 1061 M CA 0.960 55.993 55.300 -0.445 0.000 1.122 1061 M CB -0.242 32.020 32.600 -0.563 0.000 1.365 1061 M HN -0.016 nan 8.290 nan 0.000 0.411 1062 N N -0.042 118.523 118.700 -0.224 0.000 2.166 1062 N HA -0.100 -5.097 4.740 -16.227 0.000 0.186 1062 N C 1.637 177.082 175.510 -0.108 0.000 1.019 1062 N CA 1.612 54.572 53.050 -0.150 0.000 0.856 1062 N CB -0.623 37.791 38.487 -0.122 0.000 0.993 1062 N HN 0.311 nan 8.380 nan 0.000 0.426 1063 T N 1.534 116.028 114.554 -0.100 0.000 2.708 1063 T HA -0.034 -5.420 4.350 -16.227 0.000 0.266 1063 T C 2.067 176.722 174.700 -0.074 0.000 1.037 1063 T CA 0.971 63.030 62.100 -0.068 0.000 1.146 1063 T CB -0.098 68.743 68.868 -0.046 0.000 0.865 1063 T HN 0.209 nan 8.240 nan 0.000 0.435 1064 M N 0.397 119.932 119.600 -0.109 0.000 2.117 1064 M HA -0.009 -5.265 4.480 -16.227 0.000 0.262 1064 M C 2.206 178.454 176.300 -0.087 0.000 1.065 1064 M CA 1.482 56.719 55.300 -0.105 0.000 1.114 1064 M CB -0.570 31.936 32.600 -0.156 0.000 1.361 1064 M HN 0.192 nan 8.290 nan 0.000 0.408 1065 L N -0.359 120.805 121.223 -0.098 0.000 2.275 1065 L HA -0.207 -5.604 4.340 -16.227 0.000 0.215 1065 L C 2.176 179.016 176.870 -0.050 0.000 1.119 1065 L CA 1.130 55.927 54.840 -0.072 0.000 0.790 1065 L CB -0.337 41.672 42.059 -0.083 0.000 0.919 1065 L HN 0.389 nan 8.230 nan 0.000 0.443 1066 Q N -0.633 119.138 119.800 -0.050 0.000 2.425 1066 Q HA -0.007 -5.403 4.340 -16.227 0.000 0.204 1066 Q C -0.014 175.970 176.000 -0.026 0.000 0.933 1066 Q CA -0.008 55.775 55.803 -0.034 0.000 0.939 1066 Q CB 0.370 29.089 28.738 -0.032 0.000 1.044 1066 Q HN 0.295 nan 8.270 nan 0.000 0.513 1067 E N 1.316 121.498 120.200 -0.030 0.000 2.415 1067 E HA -0.037 -5.424 4.350 -16.227 0.000 0.260 1067 E C -1.819 174.772 176.600 -0.016 0.000 1.016 1067 E CA -1.232 55.154 56.400 -0.023 0.000 0.924 1067 E CB 0.700 30.383 29.700 -0.028 0.000 0.961 1067 E HN 0.104 nan 8.360 nan 0.000 0.459 1068 P HA -0.150 nan 4.420 nan 0.000 0.218 1068 P C 0.718 178.015 177.300 -0.004 0.000 1.148 1068 P CA 1.188 64.285 63.100 -0.005 0.000 0.822 1068 P CB 0.389 32.089 31.700 -0.001 0.000 0.784 1069 Q N -0.977 118.820 119.800 -0.005 0.000 2.246 1069 Q HA 0.179 -5.218 4.340 -16.227 0.000 0.202 1069 Q C 0.804 176.797 176.000 -0.012 0.000 0.883 1069 Q CA -0.549 55.252 55.803 -0.004 0.000 0.952 1069 Q CB -0.331 28.409 28.738 0.002 0.000 1.078 1069 Q HN 0.383 nan 8.270 nan 0.000 0.493 1070 I N 2.774 123.334 120.570 -0.017 0.000 2.826 1070 I HA -0.117 -5.683 4.170 -16.227 0.000 0.295 1070 I C 0.600 176.704 176.117 -0.020 0.000 1.213 1070 I CA 0.189 61.474 61.300 -0.025 0.000 1.436 1070 I CB 0.637 38.621 38.000 -0.026 0.000 1.348 1070 I HN 0.130 nan 8.210 nan 0.000 0.570 1071 S N 5.656 121.338 115.700 -0.030 0.000 2.593 1071 S HA 0.130 -5.136 4.470 -16.227 0.000 0.269 1071 S C 0.987 175.582 174.600 -0.009 0.000 1.334 1071 S CA -0.620 57.565 58.200 -0.025 0.000 1.015 1071 S CB 1.025 64.197 63.200 -0.046 0.000 0.912 1071 S HN 0.751 nan 8.310 nan 0.000 0.541 1072 N N 2.144 120.845 118.700 0.002 0.000 2.149 1072 N HA -0.156 -5.152 4.740 -16.227 0.000 0.188 1072 N C 1.562 177.090 175.510 0.031 0.000 1.019 1072 N CA 1.067 54.130 53.050 0.022 0.000 0.857 1072 N CB -1.007 37.500 38.487 0.033 0.000 0.997 1072 N HN 0.738 nan 8.380 nan 0.000 0.426 1073 N N 1.196 119.902 118.700 0.010 0.000 2.007 1073 N HA -0.155 -5.151 4.740 -16.227 0.000 0.197 1073 N C 1.718 177.243 175.510 0.025 0.000 1.050 1073 N CA 1.024 54.078 53.050 0.006 0.000 0.856 1073 N CB -0.382 38.078 38.487 -0.045 0.000 1.050 1073 N HN 0.141 nan 8.380 nan 0.000 0.423 1074 L N 1.883 123.102 121.223 -0.008 0.000 2.056 1074 L HA -0.055 -5.452 4.340 -16.227 0.000 0.207 1074 L C 2.461 179.364 176.870 0.054 0.000 1.078 1074 L CA 1.690 56.533 54.840 0.004 0.000 0.749 1074 L CB -0.737 41.295 42.059 -0.046 0.000 0.901 1074 L HN 0.154 nan 8.230 nan 0.000 0.433 1075 K N -0.559 119.859 120.400 0.030 0.000 2.009 1075 K HA -0.260 -5.677 4.320 -16.227 0.000 0.210 1075 K C 2.171 178.803 176.600 0.053 0.000 1.049 1075 K CA 1.840 58.143 56.287 0.027 0.000 0.929 1075 K CB -0.288 32.221 32.500 0.016 0.000 0.714 1075 K HN 0.463 nan 8.250 nan 0.000 0.440 1076 E N -0.296 119.950 120.200 0.078 0.000 2.058 1076 E HA -0.253 -5.639 4.350 -16.227 0.000 0.194 1076 E C 1.969 178.637 176.600 0.113 0.000 0.997 1076 E CA 1.429 57.885 56.400 0.092 0.000 0.801 1076 E CB -0.273 29.494 29.700 0.113 0.000 0.746 1076 E HN 0.433 nan 8.360 nan 0.000 0.450 1077 Y N 1.106 121.416 120.300 0.016 0.000 2.145 1077 Y HA -0.184 -5.371 4.550 -16.228 0.000 0.286 1077 Y C 2.266 178.172 175.900 0.010 0.000 1.145 1077 Y CA 1.808 59.921 58.100 0.021 0.000 1.148 1077 Y CB -0.223 38.245 38.460 0.013 0.000 0.981 1077 Y HN 0.019 nan 8.280 nan 0.000 0.507 1078 L N -0.771 120.520 121.223 0.113 0.000 2.156 1078 L HA -0.197 -5.593 4.340 -16.227 0.000 0.208 1078 L C 2.336 179.165 176.870 -0.068 0.000 1.095 1078 L CA 0.738 55.568 54.840 -0.016 0.000 0.770 1078 L CB -0.498 41.538 42.059 -0.039 0.000 0.914 1078 L HN 0.296 nan 8.230 nan 0.000 0.439 1079 L N -0.576 120.630 121.223 -0.029 0.000 2.046 1079 L HA -0.203 -5.599 4.340 -16.227 0.000 0.208 1079 L C 2.842 179.703 176.870 -0.016 0.000 1.077 1079 L CA 1.330 56.157 54.840 -0.022 0.000 0.747 1079 L CB -0.413 41.648 42.059 0.004 0.000 0.896 1079 L HN 0.219 nan 8.230 nan 0.000 0.432 1080 R N -0.563 119.920 120.500 -0.028 0.000 2.075 1080 R HA -0.151 -5.547 4.340 -16.227 0.000 0.232 1080 R C 2.167 178.455 176.300 -0.021 0.000 1.126 1080 R CA 1.038 57.123 56.100 -0.025 0.000 0.963 1080 R CB -0.404 29.866 30.300 -0.051 0.000 0.858 1080 R HN 0.172 nan 8.270 nan 0.000 0.435 1081 L N 1.071 122.242 121.223 -0.088 0.000 2.141 1081 L HA -0.095 -5.491 4.340 -16.227 0.000 0.209 1081 L C 1.935 178.930 176.870 0.208 0.000 1.094 1081 L CA 2.011 56.863 54.840 0.019 0.000 0.763 1081 L CB -0.471 41.529 42.059 -0.098 0.000 0.908 1081 L HN 0.209 nan 8.230 nan 0.000 0.437 1082 T N -4.310 110.252 114.554 0.014 0.000 3.188 1082 T HA 0.145 -5.242 4.350 -16.227 0.000 0.250 1082 T C 0.709 175.484 174.700 0.126 0.000 1.077 1082 T CA 0.265 62.341 62.100 -0.039 0.000 0.967 1082 T CB -1.015 67.699 68.868 -0.257 0.000 1.006 1082 T HN 0.501 nan 8.240 nan 0.000 0.552 1083 N N 0.906 119.694 118.700 0.147 0.000 2.738 1083 N HA -0.145 -5.142 4.740 -16.227 0.000 0.249 1083 N C -0.329 175.225 175.510 0.073 0.000 1.047 1083 N CA 0.417 53.540 53.050 0.122 0.000 0.707 1083 N CB -0.612 37.975 38.487 0.167 0.000 0.937 1083 N HN 0.558 nan 8.380 nan 0.000 0.545 1084 K N 0.000 120.425 120.400 0.041 0.000 2.780 1084 K HA 0.000 -5.416 4.320 -16.227 0.000 0.191 1084 K CA 0.000 56.303 56.287 0.026 0.000 0.838 1084 K CB 0.000 32.502 32.500 0.004 0.000 1.064 1084 K HN 0.000 nan 8.250 nan 0.000 0.543