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 1qmf_1_A DATA FIRST_RESID 71 DATA SEQUENCE TVPAKRGTIY DRNGVPIAED ATXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXSPNRSYPN GQFASSFIGL AQLHENEDGS KSLLGTSGME DATA SEQUENCE SSLNSILAGT DGIIXXXXXX XXXXXXXXXX XXXRTMDGKD VYTTISSPLQ DATA SEQUENCE SFMETQMDAF QEKVKGKYMT ATLVSAKTGE ILATTQRPTF DADTKEGITE DATA SEQUENCE DFVWRDILYQ SNYEPGSTMK VMMLAAAIDN NTFPGGEVFN SSELKIADAT DATA SEQUENCE IRDWDVNEGL TGGRMMTFSQ GFAHSSNVGM TLLEQKMGDA TWLDYLNRFK DATA SEQUENCE FGVPTRFGLT DEYAGQLPAD NIVNIAQSSF GQGISVTQTQ MIRAFTAIAN DATA SEQUENCE DGVMLEPKFI SAIYDPNDQT ARKSQKEIVG NPVSKDAASL TRTNMVLVGT DATA SEQUENCE DPVYGTMYNH STGKPTVTVP GQNVALKSGT AQIADEKNGG YLVGLTDYIF DATA SEQUENCE SAVSMSPAEN PDFILYVTVQ QPEHYSGIQL GEFANPILER ASAMKDSLNL DATA SEQUENCE XXXXXXXXXX XXQSPYPMPS VKDISPGDLA EELRRNLVQP IVVGTGTKIK DATA SEQUENCE NSSAEEGKNL APNQQVLILS DKAEEVPDMY GWTKETAETL AKWLNIELEF DATA SEQUENCE QGSGSTVQKQ DVRANTAIKD IKKITLTLGD 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 71 T HA 0.000 nan 4.350 nan 0.000 0.228 71 T C 0.000 174.698 174.700 -0.003 0.000 1.109 71 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 71 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 72 V N 0.361 120.274 119.914 -0.002 0.000 2.406 72 V HA 0.727 4.847 4.120 -0.000 0.000 0.272 72 V C -2.701 173.393 176.094 0.000 0.000 1.043 72 V CA -2.338 59.961 62.300 -0.002 0.000 0.915 72 V CB 0.446 32.269 31.823 -0.001 0.000 0.988 72 V HN 0.729 nan 8.190 nan 0.000 0.466 73 P HA 0.328 nan 4.420 nan 0.000 0.268 73 P C -0.053 177.249 177.300 0.002 0.000 1.204 73 P CA 0.337 63.438 63.100 0.002 0.000 0.768 73 P CB 0.679 32.379 31.700 0.000 0.000 0.842 74 A N 3.295 126.118 122.820 0.004 0.000 2.388 74 A HA 0.205 4.525 4.320 -0.000 0.000 0.257 74 A C 0.343 177.929 177.584 0.002 0.000 1.095 74 A CA -0.433 51.606 52.037 0.004 0.000 0.791 74 A CB 0.010 19.013 19.000 0.005 0.000 1.029 74 A HN 0.481 nan 8.150 nan 0.000 0.489 75 K N 2.036 122.437 120.400 0.001 0.000 2.383 75 K HA 0.074 4.394 4.320 -0.000 0.000 0.286 75 K C 0.282 176.878 176.600 -0.008 0.000 1.051 75 K CA -0.167 56.117 56.287 -0.004 0.000 0.974 75 K CB 0.265 32.766 32.500 0.001 0.000 0.968 75 K HN 0.756 nan 8.250 nan 0.000 0.475 76 R N 2.770 123.258 120.500 -0.019 0.000 2.537 76 R HA 0.072 4.412 4.340 -0.000 0.000 0.280 76 R C 0.135 176.409 176.300 -0.043 0.000 1.058 76 R CA 0.046 56.130 56.100 -0.026 0.000 1.057 76 R CB 0.529 30.809 30.300 -0.033 0.000 0.973 76 R HN 0.826 nan 8.270 nan 0.000 0.438 77 G N 2.040 110.820 108.800 -0.033 0.000 2.614 77 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 77 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 77 G C -0.651 174.173 174.900 -0.127 0.000 1.240 77 G CA -0.287 44.788 45.100 -0.042 0.000 0.842 77 G HN 0.572 nan 8.290 nan 0.000 0.584 78 T N 1.333 115.754 114.554 -0.222 0.000 2.799 78 T HA 0.360 4.710 4.350 -0.000 0.000 0.286 78 T C 0.499 174.895 174.700 -0.506 0.000 0.973 78 T CA -0.053 61.766 62.100 -0.468 0.000 1.035 78 T CB 0.925 69.306 68.868 -0.811 0.000 0.932 78 T HN 0.287 nan 8.240 nan 0.000 0.469 79 I N 4.201 124.540 120.570 -0.385 0.000 2.301 79 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 79 I C -0.572 175.384 176.117 -0.269 0.000 1.046 79 I CA -0.506 60.666 61.300 -0.212 0.000 1.282 79 I CB 0.195 38.162 38.000 -0.055 0.000 1.409 79 I HN 0.562 nan 8.210 nan 0.000 0.484 80 Y N 4.306 124.488 120.300 -0.197 0.000 2.568 80 Y HA 0.275 4.825 4.550 -0.000 0.000 0.327 80 Y C 0.617 176.490 175.900 -0.045 0.000 1.163 80 Y CA -0.932 57.024 58.100 -0.240 0.000 1.219 80 Y CB 0.732 38.797 38.460 -0.659 0.000 1.308 80 Y HN 0.557 nan 8.280 nan 0.000 0.503 81 D N 0.076 120.618 120.400 0.236 0.000 2.478 81 D HA 0.080 4.720 4.640 -0.000 0.000 0.269 81 D C 0.983 177.443 176.300 0.266 0.000 1.232 81 D CA -0.543 53.620 54.000 0.271 0.000 1.059 81 D CB 0.468 41.443 40.800 0.292 0.000 1.104 81 D HN 0.712 nan 8.370 nan 0.000 0.566 82 R N -0.431 120.223 120.500 0.257 0.000 2.249 82 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 82 R C 0.372 176.806 176.300 0.223 0.000 1.121 82 R CA 1.008 57.254 56.100 0.244 0.000 0.997 82 R CB -0.508 29.905 30.300 0.189 0.000 0.867 82 R HN 0.277 nan 8.270 nan 0.000 0.465 83 N N -0.293 118.519 118.700 0.187 0.000 2.205 83 N HA 0.097 4.837 4.740 -0.000 0.000 0.201 83 N C 0.637 176.198 175.510 0.084 0.000 1.128 83 N CA 0.861 53.984 53.050 0.122 0.000 0.867 83 N CB 1.600 40.141 38.487 0.089 0.000 0.996 83 N HN 0.516 nan 8.380 nan 0.000 0.503 84 G N 0.375 109.212 108.800 0.062 0.000 2.163 84 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.213 84 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.213 84 G C -0.128 174.697 174.900 -0.124 0.000 0.991 84 G CA -0.192 44.750 45.100 -0.264 0.000 0.653 84 G HN 0.131 nan 8.290 nan 0.000 0.518 85 V N 2.185 122.141 119.914 0.071 0.000 2.508 85 V HA 0.348 4.468 4.120 -0.000 0.000 0.281 85 V C -1.509 174.697 176.094 0.186 0.000 1.041 85 V CA -1.086 61.279 62.300 0.108 0.000 1.016 85 V CB 1.202 33.073 31.823 0.079 0.000 0.984 85 V HN 0.124 nan 8.190 nan 0.000 0.478 86 P HA 0.232 nan 4.420 nan 0.000 0.267 86 P C 0.469 177.689 177.300 -0.134 0.000 1.209 86 P CA 0.281 63.378 63.100 -0.005 0.000 0.763 86 P CB 0.685 32.348 31.700 -0.060 0.000 0.816 87 I N 1.885 122.360 120.570 -0.158 0.000 3.194 87 I HA 0.197 4.367 4.170 -0.000 0.000 0.271 87 I C 0.755 176.783 176.117 -0.149 0.000 1.150 87 I CA 0.421 61.631 61.300 -0.150 0.000 1.440 87 I CB 0.148 38.176 38.000 0.047 0.000 1.276 87 I HN 0.248 nan 8.210 nan 0.000 0.457 88 A N 2.118 124.789 122.820 -0.247 0.000 2.411 88 A HA 0.592 4.912 4.320 -0.000 0.000 0.285 88 A C -0.563 176.768 177.584 -0.421 0.000 1.129 88 A CA -0.437 51.325 52.037 -0.458 0.000 0.736 88 A CB 0.523 19.338 19.000 -0.308 0.000 1.186 88 A HN 0.330 nan 8.150 nan 0.000 0.445 89 E N 1.520 121.467 120.200 -0.421 0.000 2.423 89 E HA 0.649 4.999 4.350 -0.000 0.000 0.269 89 E C -1.505 174.947 176.600 -0.246 0.000 0.948 89 E CA -0.953 55.260 56.400 -0.312 0.000 0.802 89 E CB 1.088 30.630 29.700 -0.264 0.000 1.339 89 E HN 0.326 nan 8.360 nan 0.000 0.445 90 D N -0.313 119.987 120.400 -0.165 0.000 2.312 90 D HA 0.619 5.259 4.640 -0.000 0.000 0.248 90 D C -0.988 175.263 176.300 -0.082 0.000 1.086 90 D CA -0.065 53.868 54.000 -0.111 0.000 0.948 90 D CB 1.617 42.371 40.800 -0.076 0.000 1.162 90 D HN 0.630 nan 8.370 nan 0.000 0.446 91 A N 0.670 123.456 122.820 -0.057 0.000 2.515 91 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 91 A C -0.318 177.253 177.584 -0.022 0.000 1.059 91 A CA -0.542 51.473 52.037 -0.037 0.000 0.698 91 A CB 0.992 19.973 19.000 -0.032 0.000 1.289 91 A HN 0.608 nan 8.150 nan 0.000 0.404 184 P HA 0.301 nan 4.420 nan 0.000 0.276 184 P C -0.686 176.613 177.300 -0.001 0.000 1.253 184 P CA -0.184 62.912 63.100 -0.006 0.000 0.766 184 P CB 0.425 32.121 31.700 -0.007 0.000 0.845 185 N N 2.731 121.428 118.700 -0.004 0.000 2.459 185 N HA 0.414 5.154 4.740 -0.000 0.000 0.288 185 N C -0.786 174.713 175.510 -0.019 0.000 1.186 185 N CA -0.862 52.191 53.050 0.005 0.000 0.917 185 N CB 1.249 39.744 38.487 0.013 0.000 1.219 185 N HN 0.117 nan 8.380 nan 0.000 0.525 186 R N 0.768 121.266 120.500 -0.004 0.000 2.265 186 R HA 0.443 4.783 4.340 -0.000 0.000 0.328 186 R C -1.030 175.185 176.300 -0.142 0.000 0.969 186 R CA -0.389 55.652 56.100 -0.100 0.000 0.832 186 R CB 0.585 30.859 30.300 -0.043 0.000 1.139 186 R HN 0.496 nan 8.270 nan 0.000 0.457 187 S N 3.640 119.181 115.700 -0.266 0.000 2.508 187 S HA 0.426 4.896 4.470 -0.000 0.000 0.284 187 S C -1.252 173.090 174.600 -0.429 0.000 1.192 187 S CA -0.394 57.690 58.200 -0.194 0.000 1.070 187 S CB 0.364 63.494 63.200 -0.117 0.000 1.004 187 S HN 0.559 nan 8.310 nan 0.000 0.493 188 Y N 4.585 124.874 120.300 -0.017 0.000 2.787 188 Y HA 0.348 4.898 4.550 -0.000 0.000 0.352 188 Y C -1.966 173.900 175.900 -0.056 0.000 1.027 188 Y CA -1.822 56.258 58.100 -0.034 0.000 1.219 188 Y CB 0.975 39.447 38.460 0.019 0.000 1.110 188 Y HN 0.538 nan 8.280 nan 0.000 0.614 189 P HA -0.199 nan 4.420 nan 0.000 0.218 189 P C 0.728 178.005 177.300 -0.038 0.000 1.146 189 P CA 1.597 64.679 63.100 -0.030 0.000 0.820 189 P CB 0.355 32.013 31.700 -0.071 0.000 0.778 190 N N -1.428 117.209 118.700 -0.105 0.000 2.398 190 N HA 0.035 4.775 4.740 -0.000 0.000 0.188 190 N C 1.463 176.998 175.510 0.042 0.000 1.122 190 N CA 1.029 54.007 53.050 -0.120 0.000 0.866 190 N CB 0.101 38.258 38.487 -0.549 0.000 0.970 190 N HN 0.141 nan 8.380 nan 0.000 0.462 191 G N 1.911 110.756 108.800 0.075 0.000 2.620 191 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.315 191 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.315 191 G C -0.054 174.903 174.900 0.095 0.000 1.179 191 G CA 0.102 45.259 45.100 0.094 0.000 0.971 191 G HN 0.438 nan 8.290 nan 0.000 0.544 192 Q N 0.718 120.571 119.800 0.088 0.000 2.369 192 Q HA 0.553 4.893 4.340 -0.000 0.000 0.247 192 Q C -1.505 174.597 176.000 0.171 0.000 1.083 192 Q CA -0.383 55.445 55.803 0.042 0.000 0.905 192 Q CB -0.156 28.593 28.738 0.019 0.000 1.305 192 Q HN 0.605 nan 8.270 nan 0.000 0.465 193 F N 3.290 123.207 119.950 -0.055 0.000 3.152 193 F HA 0.372 4.899 4.527 -0.000 0.000 0.367 193 F C 0.002 175.810 175.800 0.014 0.000 1.272 193 F CA 0.173 58.180 58.000 0.013 0.000 1.172 193 F CB 0.731 39.771 39.000 0.067 0.000 1.552 193 F HN 0.658 nan 8.300 nan 0.000 0.616 194 A N 3.222 126.005 122.820 -0.062 0.000 2.715 194 A HA -0.299 4.021 4.320 -0.000 0.000 0.301 194 A C 1.713 179.351 177.584 0.090 0.000 1.515 194 A CA 1.337 53.377 52.037 0.004 0.000 0.816 194 A CB -2.231 16.792 19.000 0.038 0.000 1.004 194 A HN 0.957 nan 8.150 nan 0.000 0.483 195 S N -0.313 115.319 115.700 -0.113 0.000 2.390 195 S HA -0.293 4.177 4.470 -0.000 0.000 0.234 195 S C 2.146 176.628 174.600 -0.196 0.000 1.063 195 S CA 2.039 59.985 58.200 -0.425 0.000 1.108 195 S CB -0.411 62.063 63.200 -1.211 0.000 0.975 195 S HN 0.975 nan 8.310 nan 0.000 0.442 196 S N 0.695 116.374 115.700 -0.035 0.000 2.368 196 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 196 S C 1.526 176.348 174.600 0.371 0.000 1.029 196 S CA 0.966 59.339 58.200 0.289 0.000 0.988 196 S CB -0.463 62.895 63.200 0.264 0.000 0.838 196 S HN 0.487 nan 8.310 nan 0.000 0.462 197 F N 2.651 122.688 119.950 0.145 0.000 2.095 197 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 197 F C 1.873 177.747 175.800 0.124 0.000 1.104 197 F CA 1.141 59.230 58.000 0.148 0.000 1.232 197 F CB -0.328 38.736 39.000 0.106 0.000 0.987 197 F HN 0.093 nan 8.300 nan 0.000 0.475 198 I N 0.011 120.707 120.570 0.211 0.000 2.286 198 I HA 0.053 4.223 4.170 -0.000 0.000 0.245 198 I C 1.746 177.951 176.117 0.147 0.000 1.104 198 I CA 1.383 62.760 61.300 0.128 0.000 1.397 198 I CB -2.048 36.120 38.000 0.281 0.000 1.072 198 I HN 0.317 nan 8.210 nan 0.000 0.417 199 G N 1.415 110.356 108.800 0.235 0.000 2.698 199 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.233 199 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.233 199 G C -0.588 174.465 174.900 0.255 0.000 1.352 199 G CA -0.378 44.898 45.100 0.293 0.000 0.879 199 G HN 0.254 nan 8.290 nan 0.000 0.567 200 L N -0.345 121.003 121.223 0.208 0.000 2.354 200 L HA 0.795 5.135 4.340 -0.000 0.000 0.264 200 L C 0.452 177.422 176.870 0.167 0.000 1.008 200 L CA -0.682 54.269 54.840 0.186 0.000 0.819 200 L CB 2.363 44.472 42.059 0.083 0.000 1.339 200 L HN 1.368 nan 8.230 nan 0.000 0.420 201 A N 1.925 124.888 122.820 0.238 0.000 2.285 201 A HA 0.666 4.986 4.320 -0.000 0.000 0.310 201 A C -0.787 176.865 177.584 0.114 0.000 1.266 201 A CA -0.430 51.688 52.037 0.134 0.000 0.832 201 A CB 0.862 19.929 19.000 0.112 0.000 1.163 201 A HN 0.738 nan 8.150 nan 0.000 0.499 202 Q N 0.732 120.567 119.800 0.057 0.000 2.248 202 Q HA 0.536 4.876 4.340 -0.000 0.000 0.263 202 Q C -0.722 175.309 176.000 0.053 0.000 1.007 202 Q CA -1.009 54.821 55.803 0.046 0.000 0.877 202 Q CB 2.276 31.018 28.738 0.006 0.000 1.315 202 Q HN 0.726 nan 8.270 nan 0.000 0.454 203 L N 1.565 122.820 121.223 0.054 0.000 2.426 203 L HA 0.185 4.524 4.340 -0.000 0.000 0.271 203 L C -0.979 175.957 176.870 0.111 0.000 1.169 203 L CA 0.546 55.423 54.840 0.063 0.000 0.836 203 L CB 0.332 42.413 42.059 0.036 0.000 1.112 203 L HN 0.618 nan 8.230 nan 0.000 0.465 204 H N 2.592 121.658 119.070 -0.007 0.000 3.096 204 H HA 0.358 4.914 4.556 -0.000 0.000 0.335 204 H C -1.354 173.970 175.328 -0.007 0.000 0.990 204 H CA -0.713 55.329 56.048 -0.009 0.000 1.393 204 H CB 1.028 30.783 29.762 -0.011 0.000 1.742 204 H HN 0.714 nan 8.280 nan 0.000 0.501 205 E N 4.388 124.332 120.200 -0.428 0.000 2.229 205 E HA 0.277 4.627 4.350 -0.000 0.000 0.283 205 E C -0.466 175.810 176.600 -0.539 0.000 1.030 205 E CA -0.907 55.277 56.400 -0.359 0.000 0.836 205 E CB 1.112 30.708 29.700 -0.174 0.000 1.068 205 E HN 0.448 nan 8.360 nan 0.000 0.401 206 N N 2.569 121.064 118.700 -0.343 0.000 2.448 206 N HA 0.009 4.749 4.740 -0.000 0.000 0.274 206 N C 0.594 176.036 175.510 -0.112 0.000 1.239 206 N CA -0.363 52.553 53.050 -0.223 0.000 0.982 206 N CB 0.798 39.220 38.487 -0.108 0.000 1.199 206 N HN 0.532 nan 8.380 nan 0.000 0.576 207 E N 0.360 120.527 120.200 -0.054 0.000 2.097 207 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 207 E C 0.460 177.043 176.600 -0.029 0.000 1.000 207 E CA 1.454 57.837 56.400 -0.029 0.000 0.804 207 E CB -0.121 29.574 29.700 -0.008 0.000 0.740 207 E HN 0.584 nan 8.360 nan 0.000 0.454 208 D N -1.134 119.248 120.400 -0.029 0.000 2.434 208 D HA 0.087 4.727 4.640 -0.000 0.000 0.232 208 D C 0.969 177.251 176.300 -0.031 0.000 1.166 208 D CA 0.545 54.531 54.000 -0.024 0.000 0.830 208 D CB 0.222 41.012 40.800 -0.017 0.000 0.960 208 D HN 0.288 nan 8.370 nan 0.000 0.497 209 G N 1.364 110.138 108.800 -0.043 0.000 2.257 209 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 209 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 209 G C 0.491 175.360 174.900 -0.050 0.000 0.984 209 G CA 0.587 45.659 45.100 -0.045 0.000 0.626 209 G HN 0.728 nan 8.290 nan 0.000 0.540 210 S N 0.325 115.996 115.700 -0.049 0.000 2.531 210 S HA 0.588 5.058 4.470 -0.000 0.000 0.279 210 S C 0.104 174.665 174.600 -0.065 0.000 1.305 210 S CA -0.208 57.965 58.200 -0.044 0.000 1.058 210 S CB 1.590 64.773 63.200 -0.030 0.000 0.899 210 S HN 0.474 nan 8.310 nan 0.000 0.493 211 K N 2.300 122.669 120.400 -0.052 0.000 2.172 211 K HA 0.495 4.815 4.320 -0.000 0.000 0.276 211 K C 0.074 176.659 176.600 -0.026 0.000 1.013 211 K CA -0.440 55.814 56.287 -0.056 0.000 0.913 211 K CB 1.437 33.913 32.500 -0.040 0.000 1.055 211 K HN 0.863 nan 8.250 nan 0.000 0.461 212 S N 2.051 117.746 115.700 -0.008 0.000 2.704 212 S HA 0.589 5.059 4.470 -0.000 0.000 0.296 212 S C -1.140 173.495 174.600 0.057 0.000 1.138 212 S CA -1.005 57.213 58.200 0.031 0.000 0.875 212 S CB 1.020 64.252 63.200 0.054 0.000 1.151 212 S HN 0.265 nan 8.310 nan 0.000 0.500 213 L N 1.524 122.776 121.223 0.048 0.000 2.313 213 L HA 0.643 4.983 4.340 -0.000 0.000 0.283 213 L C -1.170 175.726 176.870 0.043 0.000 1.013 213 L CA -0.703 54.164 54.840 0.045 0.000 0.816 213 L CB 1.414 43.486 42.059 0.022 0.000 1.236 213 L HN 0.666 nan 8.230 nan 0.000 0.419 214 L N 2.759 124.006 121.223 0.040 0.000 2.365 214 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 214 L C 0.466 177.339 176.870 0.005 0.000 1.000 214 L CA -0.415 54.431 54.840 0.010 0.000 0.819 214 L CB 1.747 43.789 42.059 -0.029 0.000 1.284 214 L HN 0.662 nan 8.230 nan 0.000 0.418 215 G N 0.560 109.361 108.800 0.001 0.000 2.358 215 G HA2 0.355 4.315 3.960 -0.000 0.000 0.273 215 G HA3 0.355 4.315 3.960 -0.000 0.000 0.273 215 G C 0.842 175.728 174.900 -0.024 0.000 1.215 215 G CA 0.363 45.467 45.100 0.008 0.000 0.910 215 G HN 0.795 nan 8.290 nan 0.000 0.467 216 T N -1.064 113.468 114.554 -0.037 0.000 3.040 216 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 216 T C 1.089 175.711 174.700 -0.130 0.000 1.064 216 T CA 0.739 62.775 62.100 -0.106 0.000 1.110 216 T CB 0.077 68.847 68.868 -0.164 0.000 0.921 216 T HN 0.792 nan 8.240 nan 0.000 0.480 217 S N -0.867 114.801 115.700 -0.053 0.000 2.596 217 S HA 0.706 5.176 4.470 -0.000 0.000 0.270 217 S C 0.608 175.273 174.600 0.108 0.000 1.155 217 S CA -0.540 57.671 58.200 0.018 0.000 0.827 217 S CB 1.194 64.406 63.200 0.020 0.000 1.130 217 S HN 1.111 nan 8.310 nan 0.000 0.467 218 G N 1.591 110.486 108.800 0.157 0.000 2.614 218 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.303 218 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.303 218 G C 0.752 175.623 174.900 -0.048 0.000 1.270 218 G CA 0.709 45.875 45.100 0.110 0.000 0.988 218 G HN 1.043 nan 8.290 nan 0.000 0.551 219 M N -0.428 119.058 119.600 -0.189 0.000 2.159 219 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 219 M C 2.407 178.662 176.300 -0.074 0.000 1.063 219 M CA 2.701 57.847 55.300 -0.257 0.000 1.110 219 M CB -0.268 32.110 32.600 -0.369 0.000 1.374 219 M HN 0.689 nan 8.290 nan 0.000 0.411 220 E N -0.606 119.593 120.200 -0.002 0.000 2.204 220 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 220 E C 1.905 178.518 176.600 0.022 0.000 0.990 220 E CA 1.570 57.994 56.400 0.040 0.000 0.821 220 E CB 0.031 29.796 29.700 0.108 0.000 0.750 220 E HN 0.457 nan 8.360 nan 0.000 0.477 221 S N -1.511 114.195 115.700 0.010 0.000 2.427 221 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 221 S C 1.899 176.499 174.600 -0.000 0.000 1.047 221 S CA 0.885 59.087 58.200 0.003 0.000 0.953 221 S CB -0.136 63.066 63.200 0.003 0.000 0.824 221 S HN 0.245 nan 8.310 nan 0.000 0.502 222 S N 1.064 116.756 115.700 -0.014 0.000 2.428 222 S HA 0.187 4.657 4.470 -0.000 0.000 0.230 222 S C 0.819 175.421 174.600 0.003 0.000 1.014 222 S CA 0.586 58.778 58.200 -0.013 0.000 0.957 222 S CB -0.094 63.070 63.200 -0.059 0.000 0.784 222 S HN 0.339 nan 8.310 nan 0.000 0.499 223 L N 1.605 122.831 121.223 0.005 0.000 2.965 223 L HA 0.375 4.715 4.340 -0.000 0.000 0.254 223 L C 1.284 178.163 176.870 0.015 0.000 1.220 223 L CA 0.028 54.880 54.840 0.021 0.000 1.023 223 L CB -0.625 41.460 42.059 0.043 0.000 1.355 223 L HN 0.099 nan 8.230 nan 0.000 0.545 224 N N -0.838 117.869 118.700 0.011 0.000 2.120 224 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 224 N C 1.868 177.385 175.510 0.013 0.000 1.024 224 N CA 1.718 54.774 53.050 0.010 0.000 0.852 224 N CB 0.309 38.799 38.487 0.006 0.000 1.003 224 N HN 0.219 nan 8.380 nan 0.000 0.424 225 S N 0.012 115.722 115.700 0.016 0.000 2.370 225 S HA -0.085 4.385 4.470 -0.000 0.000 0.226 225 S C 1.944 176.557 174.600 0.022 0.000 1.033 225 S CA 1.005 59.218 58.200 0.021 0.000 1.011 225 S CB -0.314 62.904 63.200 0.030 0.000 0.852 225 S HN 0.344 nan 8.310 nan 0.000 0.457 226 I N 0.744 121.326 120.570 0.020 0.000 2.202 226 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 226 I C 1.988 178.115 176.117 0.017 0.000 1.091 226 I CA 0.841 62.151 61.300 0.017 0.000 1.368 226 I CB -0.257 37.749 38.000 0.009 0.000 1.058 226 I HN 0.215 nan 8.210 nan 0.000 0.410 227 L N 0.580 121.811 121.223 0.014 0.000 2.141 227 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 227 L C 2.446 179.318 176.870 0.003 0.000 1.094 227 L CA 1.825 56.668 54.840 0.006 0.000 0.763 227 L CB -1.136 40.924 42.059 0.001 0.000 0.908 227 L HN 0.191 nan 8.230 nan 0.000 0.437 228 A N -1.779 121.045 122.820 0.007 0.000 2.081 228 A HA 0.459 4.779 4.320 -0.000 0.000 0.214 228 A C 1.571 179.160 177.584 0.009 0.000 1.158 228 A CA 0.833 52.875 52.037 0.008 0.000 0.724 228 A CB -0.550 18.457 19.000 0.011 0.000 0.826 228 A HN 0.469 nan 8.150 nan 0.000 0.463 229 G N -1.128 107.679 108.800 0.010 0.000 2.547 229 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.271 229 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.271 229 G C -0.036 174.870 174.900 0.010 0.000 1.209 229 G CA 0.219 45.325 45.100 0.009 0.000 0.959 229 G HN 1.113 nan 8.290 nan 0.000 0.563 230 T N 1.291 115.849 114.554 0.008 0.000 2.928 230 T HA 0.547 4.897 4.350 -0.000 0.000 0.296 230 T C -1.068 173.636 174.700 0.007 0.000 1.000 230 T CA -0.506 61.599 62.100 0.008 0.000 0.989 230 T CB 1.814 70.686 68.868 0.007 0.000 1.005 230 T HN 0.613 nan 8.240 nan 0.000 0.442 231 D N 1.923 122.327 120.400 0.008 0.000 2.399 231 D HA 0.367 5.007 4.640 -0.000 0.000 0.241 231 D C 0.906 177.209 176.300 0.005 0.000 1.133 231 D CA 0.162 54.166 54.000 0.007 0.000 0.890 231 D CB 0.618 41.423 40.800 0.009 0.000 1.201 231 D HN 0.678 nan 8.370 nan 0.000 0.432 232 G N 0.760 109.562 108.800 0.003 0.000 2.406 232 G HA2 0.323 4.283 3.960 -0.000 0.000 0.251 232 G HA3 0.323 4.283 3.960 -0.000 0.000 0.251 232 G C 0.874 175.775 174.900 0.002 0.000 1.271 232 G CA -0.349 44.752 45.100 0.002 0.000 0.859 232 G HN 0.334 nan 8.290 nan 0.000 0.540 233 I N 2.612 123.183 120.570 0.001 0.000 2.404 233 I HA 0.170 4.340 4.170 -0.000 0.000 0.231 233 I C 1.489 177.606 176.117 0.000 0.000 1.064 233 I CA 0.270 61.571 61.300 0.001 0.000 1.383 233 I CB -0.914 37.086 38.000 0.001 0.000 1.171 233 I HN 0.533 nan 8.210 nan 0.000 0.422 255 T N 3.757 118.312 114.554 0.001 0.000 2.762 255 T HA 0.355 4.705 4.350 -0.000 0.000 0.303 255 T C 0.308 175.008 174.700 0.001 0.000 0.977 255 T CA -0.536 61.565 62.100 0.002 0.000 0.961 255 T CB 0.484 69.354 68.868 0.003 0.000 0.944 255 T HN 0.177 nan 8.240 nan 0.000 0.481 256 M N 3.645 123.245 119.600 0.000 0.000 2.069 256 M HA 0.286 4.766 4.480 -0.000 0.000 0.349 256 M C -0.047 176.252 176.300 -0.000 0.000 1.194 256 M CA -0.842 54.457 55.300 -0.002 0.000 1.081 256 M CB 0.533 33.132 32.600 -0.002 0.000 1.500 256 M HN 0.435 nan 8.290 nan 0.000 0.438 257 D N 2.104 122.503 120.400 -0.000 0.000 2.382 257 D HA 0.231 4.871 4.640 -0.000 0.000 0.240 257 D C 0.730 177.032 176.300 0.003 0.000 1.146 257 D CA 0.484 54.487 54.000 0.004 0.000 0.897 257 D CB 1.076 41.884 40.800 0.013 0.000 1.197 257 D HN 0.722 nan 8.370 nan 0.000 0.432 258 G N 1.265 110.068 108.800 0.006 0.000 2.491 258 G HA2 0.085 4.045 3.960 -0.000 0.000 0.238 258 G HA3 0.085 4.045 3.960 -0.000 0.000 0.238 258 G C 0.016 174.927 174.900 0.018 0.000 1.277 258 G CA -0.384 44.721 45.100 0.008 0.000 0.851 258 G HN 0.304 nan 8.290 nan 0.000 0.573 259 K N 1.288 121.700 120.400 0.021 0.000 2.218 259 K HA 0.157 4.477 4.320 -0.000 0.000 0.276 259 K C -0.632 176.022 176.600 0.091 0.000 1.022 259 K CA -0.466 55.847 56.287 0.043 0.000 0.946 259 K CB 0.951 33.468 32.500 0.028 0.000 1.000 259 K HN 0.413 nan 8.250 nan 0.000 0.468 260 D N 1.669 122.188 120.400 0.197 0.000 2.256 260 D HA 0.162 4.802 4.640 -0.000 0.000 0.250 260 D C -0.591 175.878 176.300 0.281 0.000 1.093 260 D CA -0.240 53.899 54.000 0.232 0.000 0.882 260 D CB 1.576 42.649 40.800 0.456 0.000 1.185 260 D HN 0.014 nan 8.370 nan 0.000 0.437 261 V N 3.276 123.287 119.914 0.162 0.000 2.409 261 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 261 V C -0.823 175.402 176.094 0.218 0.000 1.020 261 V CA -0.776 61.649 62.300 0.209 0.000 0.848 261 V CB 0.737 32.629 31.823 0.115 0.000 0.990 261 V HN 0.360 nan 8.190 nan 0.000 0.430 262 Y N 3.314 123.732 120.300 0.197 0.000 2.404 262 Y HA 0.427 4.977 4.550 -0.000 0.000 0.344 262 Y C 1.280 177.278 175.900 0.163 0.000 0.970 262 Y CA -0.640 57.584 58.100 0.207 0.000 1.180 262 Y CB 1.167 39.708 38.460 0.135 0.000 1.138 262 Y HN 0.779 nan 8.280 nan 0.000 0.510 263 T N -2.457 112.273 114.554 0.293 0.000 2.754 263 T HA 0.102 4.452 4.350 -0.000 0.000 0.286 263 T C 1.308 176.175 174.700 0.278 0.000 0.997 263 T CA -0.029 62.245 62.100 0.289 0.000 0.982 263 T CB 1.012 70.084 68.868 0.340 0.000 1.027 263 T HN 0.667 nan 8.240 nan 0.000 0.529 264 T N -1.782 112.942 114.554 0.284 0.000 3.081 264 T HA 0.215 4.565 4.350 -0.000 0.000 0.255 264 T C 0.933 175.779 174.700 0.244 0.000 1.113 264 T CA -0.234 62.011 62.100 0.241 0.000 1.082 264 T CB -0.695 68.313 68.868 0.233 0.000 0.939 264 T HN 0.582 nan 8.240 nan 0.000 0.506 265 I N 2.684 123.424 120.570 0.283 0.000 2.710 265 I HA 0.059 4.229 4.170 -0.000 0.000 0.286 265 I C 0.637 176.894 176.117 0.233 0.000 1.181 265 I CA -0.001 61.447 61.300 0.245 0.000 1.430 265 I CB 0.643 38.816 38.000 0.288 0.000 1.367 265 I HN 0.155 nan 8.210 nan 0.000 0.577 266 S N 4.261 120.069 115.700 0.181 0.000 2.420 266 S HA 0.153 4.623 4.470 -0.000 0.000 0.313 266 S C 1.211 175.931 174.600 0.201 0.000 1.079 266 S CA -0.393 57.913 58.200 0.176 0.000 1.104 266 S CB 0.879 64.160 63.200 0.135 0.000 0.969 266 S HN 0.768 nan 8.310 nan 0.000 0.471 267 S N 5.660 121.539 115.700 0.299 0.000 2.383 267 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 267 S C -1.107 173.682 174.600 0.314 0.000 1.030 267 S CA 1.123 59.593 58.200 0.449 0.000 1.002 267 S CB -1.617 61.821 63.200 0.397 0.000 0.829 267 S HN 0.608 nan 8.310 nan 0.000 0.467 268 P HA 0.036 nan 4.420 nan 0.000 0.215 268 P C 1.610 178.989 177.300 0.131 0.000 1.157 268 P CA 0.860 64.034 63.100 0.123 0.000 0.863 268 P CB -0.158 31.576 31.700 0.058 0.000 0.787 269 L N -1.150 120.134 121.223 0.102 0.000 2.093 269 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 269 L C 2.689 179.594 176.870 0.058 0.000 1.085 269 L CA 1.335 56.228 54.840 0.088 0.000 0.755 269 L CB -0.749 41.326 42.059 0.027 0.000 0.904 269 L HN -0.019 nan 8.230 nan 0.000 0.435 270 Q N 0.299 120.094 119.800 -0.007 0.000 2.049 270 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 270 Q C 2.386 178.307 176.000 -0.132 0.000 0.971 270 Q CA 2.122 57.798 55.803 -0.211 0.000 0.833 270 Q CB -0.149 28.219 28.738 -0.617 0.000 0.896 270 Q HN 0.500 nan 8.270 nan 0.000 0.434 271 S N -0.783 114.983 115.700 0.111 0.000 2.402 271 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 271 S C 1.802 176.535 174.600 0.222 0.000 1.021 271 S CA 0.775 59.124 58.200 0.249 0.000 0.974 271 S CB -0.627 62.789 63.200 0.360 0.000 0.800 271 S HN 0.432 nan 8.310 nan 0.000 0.484 272 F N 1.973 121.938 119.950 0.025 0.000 2.259 272 F HA 0.287 4.814 4.527 -0.000 0.000 0.298 272 F C 2.224 178.012 175.800 -0.020 0.000 1.088 272 F CA 0.938 58.936 58.000 -0.004 0.000 1.358 272 F CB -0.485 38.493 39.000 -0.037 0.000 1.040 272 F HN 0.247 nan 8.300 nan 0.000 0.505 273 M N -0.234 119.325 119.600 -0.068 0.000 2.229 273 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 273 M C 1.956 178.247 176.300 -0.015 0.000 1.063 273 M CA 1.597 56.815 55.300 -0.136 0.000 1.114 273 M CB -0.240 32.314 32.600 -0.078 0.000 1.387 273 M HN -0.005 nan 8.290 nan 0.000 0.420 274 E N -0.188 120.012 120.200 0.000 0.000 2.051 274 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 274 E C 1.961 178.584 176.600 0.039 0.000 0.991 274 E CA 1.926 58.344 56.400 0.030 0.000 0.799 274 E CB -0.699 29.031 29.700 0.049 0.000 0.748 274 E HN 0.520 nan 8.360 nan 0.000 0.449 275 T N 2.056 116.628 114.554 0.030 0.000 2.674 275 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 275 T C 1.843 176.540 174.700 -0.006 0.000 1.039 275 T CA 1.104 63.221 62.100 0.029 0.000 1.150 275 T CB -0.116 68.797 68.868 0.075 0.000 0.864 275 T HN 0.085 nan 8.240 nan 0.000 0.427 276 Q N 0.150 119.880 119.800 -0.115 0.000 2.170 276 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 276 Q C 2.250 178.417 176.000 0.279 0.000 0.976 276 Q CA 1.135 56.905 55.803 -0.054 0.000 0.858 276 Q CB -0.402 28.105 28.738 -0.386 0.000 0.907 276 Q HN 0.429 nan 8.270 nan 0.000 0.433 277 M N 0.956 120.720 119.600 0.275 0.000 2.200 277 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 277 M C 0.960 177.298 176.300 0.064 0.000 1.066 277 M CA 1.427 56.830 55.300 0.171 0.000 1.127 277 M CB -0.077 32.593 32.600 0.116 0.000 1.379 277 M HN -0.052 nan 8.290 nan 0.000 0.420 278 D N 0.222 120.655 120.400 0.054 0.000 2.117 278 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 278 D C 1.964 178.285 176.300 0.036 0.000 0.987 278 D CA 1.736 55.750 54.000 0.023 0.000 0.829 278 D CB -0.405 40.412 40.800 0.027 0.000 0.961 278 D HN 0.476 nan 8.370 nan 0.000 0.460 279 A N 0.432 123.295 122.820 0.071 0.000 1.930 279 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 279 A C 2.020 179.688 177.584 0.139 0.000 1.175 279 A CA 0.813 52.900 52.037 0.083 0.000 0.627 279 A CB -0.741 18.303 19.000 0.074 0.000 0.815 279 A HN 0.193 nan 8.150 nan 0.000 0.443 280 F N 0.678 120.599 119.950 -0.049 0.000 2.128 280 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 280 F C 2.334 178.063 175.800 -0.118 0.000 1.100 280 F CA 1.867 59.803 58.000 -0.107 0.000 1.260 280 F CB -0.812 38.027 39.000 -0.269 0.000 1.009 280 F HN 0.358 nan 8.300 nan 0.000 0.476 281 Q N 0.651 120.361 119.800 -0.150 0.000 2.119 281 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 281 Q C 1.826 177.742 176.000 -0.141 0.000 0.972 281 Q CA 1.899 57.554 55.803 -0.247 0.000 0.847 281 Q CB -0.399 28.223 28.738 -0.194 0.000 0.903 281 Q HN 0.284 nan 8.270 nan 0.000 0.433 282 E N 0.015 120.180 120.200 -0.058 0.000 2.409 282 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 282 E C 1.015 177.610 176.600 -0.007 0.000 1.024 282 E CA 1.193 57.577 56.400 -0.028 0.000 0.861 282 E CB 0.081 29.779 29.700 -0.004 0.000 0.788 282 E HN 0.647 nan 8.360 nan 0.000 0.521 283 K N -1.012 119.389 120.400 0.002 0.000 2.391 283 K HA 0.097 4.417 4.320 -0.000 0.000 0.197 283 K C 1.435 178.062 176.600 0.046 0.000 1.087 283 K CA 0.815 57.125 56.287 0.039 0.000 1.012 283 K CB 0.673 33.207 32.500 0.056 0.000 0.925 283 K HN 0.121 nan 8.250 nan 0.000 0.547 284 V N -1.866 118.013 119.914 -0.058 0.000 3.635 284 V HA 0.218 4.338 4.120 -0.000 0.000 0.266 284 V C -0.187 175.812 176.094 -0.158 0.000 1.316 284 V CA -0.468 61.775 62.300 -0.094 0.000 1.060 284 V CB -0.158 31.553 31.823 -0.187 0.000 0.820 284 V HN 0.097 nan 8.190 nan 0.000 0.447 285 K N 1.694 121.994 120.400 -0.167 0.000 3.689 285 K HA -0.147 4.172 4.320 -0.000 0.000 0.276 285 K C 0.527 177.004 176.600 -0.204 0.000 0.932 285 K CA 1.076 57.259 56.287 -0.174 0.000 0.758 285 K CB -2.207 30.206 32.500 -0.145 0.000 1.500 285 K HN 0.936 nan 8.250 nan 0.000 0.448 286 G N 0.497 109.152 108.800 -0.242 0.000 2.444 286 G HA2 0.212 4.172 3.960 -0.000 0.000 0.268 286 G HA3 0.212 4.172 3.960 -0.000 0.000 0.268 286 G C 1.022 175.765 174.900 -0.262 0.000 1.203 286 G CA -0.383 44.575 45.100 -0.236 0.000 0.835 286 G HN 0.302 nan 8.290 nan 0.000 0.543 287 K N 0.115 120.350 120.400 -0.275 0.000 2.031 287 K HA -0.000 4.320 4.320 -0.000 0.000 0.205 287 K C -0.435 175.738 176.600 -0.711 0.000 1.049 287 K CA 0.926 56.940 56.287 -0.455 0.000 0.939 287 K CB -0.063 32.206 32.500 -0.384 0.000 0.717 287 K HN 0.488 nan 8.250 nan 0.000 0.438 288 Y N -0.235 119.954 120.300 -0.184 0.000 2.373 288 Y HA 0.411 4.961 4.550 -0.000 0.000 0.336 288 Y C -0.492 175.272 175.900 -0.226 0.000 0.979 288 Y CA -0.772 57.205 58.100 -0.204 0.000 1.080 288 Y CB 1.916 40.254 38.460 -0.205 0.000 1.190 288 Y HN -0.104 nan 8.280 nan 0.000 0.446 289 M N 3.159 122.709 119.600 -0.084 0.000 2.457 289 M HA 0.648 5.128 4.480 -0.000 0.000 0.300 289 M C -0.900 175.311 176.300 -0.149 0.000 1.141 289 M CA -0.608 54.588 55.300 -0.174 0.000 0.901 289 M CB 2.906 35.341 32.600 -0.276 0.000 1.687 289 M HN 0.749 nan 8.290 nan 0.000 0.449 290 T N -0.411 114.041 114.554 -0.169 0.000 2.883 290 T HA 0.963 5.313 4.350 -0.000 0.000 0.301 290 T C -1.249 173.391 174.700 -0.101 0.000 1.158 290 T CA -0.909 61.108 62.100 -0.139 0.000 1.007 290 T CB 2.310 71.072 68.868 -0.176 0.000 1.186 290 T HN 0.896 nan 8.240 nan 0.000 0.499 291 A N 1.116 123.922 122.820 -0.024 0.000 2.513 291 A HA 0.726 5.046 4.320 -0.000 0.000 0.296 291 A C -0.641 176.982 177.584 0.064 0.000 1.052 291 A CA -0.819 51.275 52.037 0.095 0.000 0.714 291 A CB 1.527 20.731 19.000 0.341 0.000 1.279 291 A HN 0.944 nan 8.150 nan 0.000 0.397 292 T N 2.830 117.439 114.554 0.092 0.000 2.937 292 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 292 T C -0.951 173.817 174.700 0.114 0.000 0.991 292 T CA -0.268 61.879 62.100 0.078 0.000 0.990 292 T CB 1.068 69.996 68.868 0.099 0.000 0.991 292 T HN 0.586 nan 8.240 nan 0.000 0.440 293 L N 4.640 125.907 121.223 0.073 0.000 2.265 293 L HA 0.685 5.025 4.340 -0.000 0.000 0.289 293 L C -0.891 176.064 176.870 0.142 0.000 1.033 293 L CA -0.552 54.345 54.840 0.095 0.000 0.814 293 L CB 0.760 42.840 42.059 0.035 0.000 1.203 293 L HN 0.414 nan 8.230 nan 0.000 0.423 294 V N 2.898 122.922 119.914 0.183 0.000 2.715 294 V HA 0.323 4.443 4.120 -0.000 0.000 0.310 294 V C 0.110 176.327 176.094 0.204 0.000 1.054 294 V CA -0.643 61.768 62.300 0.185 0.000 0.928 294 V CB 2.078 34.004 31.823 0.171 0.000 1.007 294 V HN 0.759 nan 8.190 nan 0.000 0.437 295 S N 2.106 117.902 115.700 0.160 0.000 2.439 295 S HA 0.452 4.922 4.470 -0.000 0.000 0.282 295 S C 1.196 175.816 174.600 0.032 0.000 1.170 295 S CA 0.042 58.285 58.200 0.070 0.000 1.054 295 S CB 1.122 64.355 63.200 0.054 0.000 0.956 295 S HN 1.005 nan 8.310 nan 0.000 0.490 296 A N 6.074 128.881 122.820 -0.023 0.000 2.070 296 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 296 A C 2.120 179.702 177.584 -0.004 0.000 1.159 296 A CA 1.055 53.092 52.037 -0.001 0.000 0.656 296 A CB -0.197 18.789 19.000 -0.023 0.000 0.800 296 A HN 0.775 nan 8.150 nan 0.000 0.453 297 K N -0.711 119.668 120.400 -0.035 0.000 2.137 297 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 297 K C 1.931 178.540 176.600 0.015 0.000 1.052 297 K CA 1.778 58.055 56.287 -0.017 0.000 0.961 297 K CB -0.502 31.971 32.500 -0.046 0.000 0.741 297 K HN 0.685 nan 8.250 nan 0.000 0.452 298 T N -3.899 110.670 114.554 0.025 0.000 3.000 298 T HA 0.249 4.599 4.350 -0.000 0.000 0.248 298 T C 1.419 176.162 174.700 0.071 0.000 1.034 298 T CA 0.722 62.851 62.100 0.047 0.000 1.060 298 T CB 0.617 69.514 68.868 0.047 0.000 0.983 298 T HN 0.264 nan 8.240 nan 0.000 0.482 299 G N 1.473 110.323 108.800 0.084 0.000 2.175 299 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 299 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 299 G C -0.239 174.748 174.900 0.144 0.000 0.982 299 G CA -0.081 45.085 45.100 0.111 0.000 0.641 299 G HN 0.643 nan 8.290 nan 0.000 0.527 300 E N 0.037 120.318 120.200 0.136 0.000 2.376 300 E HA 0.371 4.721 4.350 -0.000 0.000 0.266 300 E C 0.448 177.163 176.600 0.192 0.000 1.009 300 E CA -0.205 56.295 56.400 0.168 0.000 0.902 300 E CB 0.905 30.691 29.700 0.142 0.000 0.972 300 E HN 0.395 nan 8.360 nan 0.000 0.439 301 I N 4.990 125.703 120.570 0.238 0.000 2.308 301 I HA -0.045 4.125 4.170 -0.000 0.000 0.293 301 I C 1.080 177.308 176.117 0.185 0.000 1.078 301 I CA 0.078 61.503 61.300 0.208 0.000 1.292 301 I CB 0.331 38.475 38.000 0.241 0.000 1.423 301 I HN 0.499 nan 8.210 nan 0.000 0.493 302 L N 6.287 127.603 121.223 0.155 0.000 2.270 302 L HA 0.292 4.632 4.340 -0.000 0.000 0.210 302 L C 0.879 177.794 176.870 0.075 0.000 1.104 302 L CA 0.255 55.180 54.840 0.143 0.000 0.804 302 L CB -0.184 41.980 42.059 0.174 0.000 0.937 302 L HN 0.716 nan 8.230 nan 0.000 0.450 303 A N -1.062 121.772 122.820 0.023 0.000 2.565 303 A HA 0.593 4.913 4.320 -0.000 0.000 0.298 303 A C -0.803 176.723 177.584 -0.096 0.000 1.062 303 A CA -0.299 51.701 52.037 -0.063 0.000 0.723 303 A CB 1.561 20.523 19.000 -0.064 0.000 1.282 303 A HN -0.153 nan 8.150 nan 0.000 0.400 304 T N 0.644 115.090 114.554 -0.180 0.000 3.032 304 T HA 0.744 5.094 4.350 -0.000 0.000 0.312 304 T C -0.913 173.686 174.700 -0.170 0.000 1.078 304 T CA 0.241 62.217 62.100 -0.208 0.000 1.028 304 T CB 1.578 70.183 68.868 -0.439 0.000 1.091 304 T HN 1.413 nan 8.240 nan 0.000 0.457 305 T N 3.021 117.519 114.554 -0.093 0.000 2.864 305 T HA 0.726 5.076 4.350 -0.000 0.000 0.299 305 T C -1.872 172.796 174.700 -0.053 0.000 1.166 305 T CA -0.479 61.582 62.100 -0.066 0.000 1.007 305 T CB 2.110 70.957 68.868 -0.035 0.000 1.219 305 T HN 0.757 nan 8.240 nan 0.000 0.506 306 Q N 1.676 121.447 119.800 -0.050 0.000 2.353 306 Q HA 0.555 4.895 4.340 -0.000 0.000 0.275 306 Q C -1.666 174.307 176.000 -0.046 0.000 1.029 306 Q CA -0.906 54.867 55.803 -0.050 0.000 0.848 306 Q CB 1.360 30.081 28.738 -0.029 0.000 1.390 306 Q HN 0.408 nan 8.270 nan 0.000 0.401 307 R N 2.878 123.341 120.500 -0.061 0.000 2.534 307 R HA 0.545 4.885 4.340 -0.000 0.000 0.301 307 R C -2.682 173.573 176.300 -0.076 0.000 0.961 307 R CA -2.170 53.887 56.100 -0.072 0.000 0.871 307 R CB 1.565 31.792 30.300 -0.123 0.000 1.170 307 R HN 0.518 nan 8.270 nan 0.000 0.446 308 P HA 0.212 nan 4.420 nan 0.000 0.275 308 P C -0.199 177.199 177.300 0.165 0.000 1.227 308 P CA -0.035 63.057 63.100 -0.014 0.000 0.781 308 P CB 0.928 32.597 31.700 -0.053 0.000 0.906 309 T N -0.285 114.381 114.554 0.188 0.000 2.678 309 T HA 0.853 5.203 4.350 -0.000 0.000 0.260 309 T C -0.442 174.350 174.700 0.153 0.000 0.932 309 T CA -0.612 61.570 62.100 0.137 0.000 1.043 309 T CB 0.733 69.529 68.868 -0.121 0.000 1.413 309 T HN 0.393 nan 8.240 nan 0.000 0.568 310 F N -1.806 118.079 119.950 -0.108 0.000 2.745 310 F HA 0.689 5.216 4.527 -0.000 0.000 0.316 310 F C -1.587 174.153 175.800 -0.100 0.000 1.155 310 F CA -1.348 56.544 58.000 -0.180 0.000 0.937 310 F CB 0.884 39.640 39.000 -0.406 0.000 1.361 310 F HN 0.505 nan 8.300 nan 0.000 0.472 311 D N 1.084 121.589 120.400 0.174 0.000 2.359 311 D HA 0.404 5.044 4.640 -0.000 0.000 0.230 311 D C 0.792 177.212 176.300 0.201 0.000 1.118 311 D CA 0.059 54.120 54.000 0.101 0.000 0.844 311 D CB 1.979 42.827 40.800 0.081 0.000 1.059 311 D HN 0.843 nan 8.370 nan 0.000 0.493 312 A N 3.815 126.695 122.820 0.100 0.000 2.121 312 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 312 A C 1.640 179.185 177.584 -0.064 0.000 1.154 312 A CA 1.144 53.166 52.037 -0.025 0.000 0.679 312 A CB 0.043 18.785 19.000 -0.431 0.000 0.795 312 A HN 0.585 nan 8.150 nan 0.000 0.458 313 D N -0.992 119.473 120.400 0.108 0.000 2.320 313 D HA -0.086 4.554 4.640 -0.000 0.000 0.228 313 D C 2.251 178.622 176.300 0.117 0.000 0.978 313 D CA 2.000 56.111 54.000 0.186 0.000 0.905 313 D CB -0.029 40.870 40.800 0.165 0.000 1.051 313 D HN 0.395 nan 8.370 nan 0.000 0.471 314 T N -2.403 112.202 114.554 0.085 0.000 3.067 314 T HA 0.056 4.406 4.350 -0.000 0.000 0.261 314 T C 0.918 175.641 174.700 0.039 0.000 1.110 314 T CA 0.478 62.613 62.100 0.058 0.000 1.113 314 T CB 0.074 68.971 68.868 0.050 0.000 0.917 314 T HN 0.015 nan 8.240 nan 0.000 0.499 315 K N 0.125 120.548 120.400 0.039 0.000 3.547 315 K HA -0.168 4.152 4.320 -0.000 0.000 0.309 315 K C 0.071 176.650 176.600 -0.035 0.000 1.324 315 K CA 1.116 57.391 56.287 -0.020 0.000 0.988 315 K CB -2.004 30.468 32.500 -0.046 0.000 1.261 315 K HN 0.837 nan 8.250 nan 0.000 0.444 316 E N 0.548 120.757 120.200 0.015 0.000 2.417 316 E HA 0.217 4.567 4.350 -0.000 0.000 0.261 316 E C 1.236 177.850 176.600 0.022 0.000 1.000 316 E CA 1.188 57.596 56.400 0.013 0.000 0.919 316 E CB 0.067 29.785 29.700 0.029 0.000 0.955 316 E HN 0.387 nan 8.360 nan 0.000 0.455 317 G N 4.453 113.247 108.800 -0.010 0.000 2.278 317 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.210 317 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.210 317 G C 0.369 175.182 174.900 -0.145 0.000 1.000 317 G CA -0.052 45.046 45.100 -0.003 0.000 0.635 317 G HN 0.597 nan 8.290 nan 0.000 0.495 318 I N 4.026 124.413 120.570 -0.304 0.000 2.453 318 I HA 0.248 4.418 4.170 -0.000 0.000 0.300 318 I C 1.443 177.456 176.117 -0.172 0.000 1.159 318 I CA 0.599 61.591 61.300 -0.513 0.000 1.379 318 I CB -0.033 37.647 38.000 -0.533 0.000 1.460 318 I HN 0.367 nan 8.210 nan 0.000 0.601 319 T N 0.720 115.251 114.554 -0.038 0.000 2.849 319 T HA 0.099 4.449 4.350 -0.000 0.000 0.284 319 T C 1.110 175.881 174.700 0.120 0.000 1.004 319 T CA -0.698 61.441 62.100 0.066 0.000 1.021 319 T CB 1.989 70.926 68.868 0.114 0.000 1.013 319 T HN 0.564 nan 8.240 nan 0.000 0.527 320 E N 0.902 121.163 120.200 0.102 0.000 2.106 320 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 320 E C 0.825 177.525 176.600 0.166 0.000 0.984 320 E CA 1.480 57.952 56.400 0.120 0.000 0.806 320 E CB -0.293 29.451 29.700 0.073 0.000 0.750 320 E HN 0.853 nan 8.360 nan 0.000 0.458 321 D N -0.193 120.291 120.400 0.140 0.000 2.561 321 D HA -0.032 4.608 4.640 -0.000 0.000 0.232 321 D C -0.029 176.350 176.300 0.132 0.000 1.198 321 D CA -0.579 53.496 54.000 0.124 0.000 0.826 321 D CB -1.312 39.527 40.800 0.066 0.000 0.992 321 D HN -0.010 nan 8.370 nan 0.000 0.490 322 F N 2.012 121.973 119.950 0.018 0.000 2.495 322 F HA 0.157 4.684 4.527 -0.000 0.000 0.365 322 F C 0.471 176.206 175.800 -0.108 0.000 1.090 322 F CA -0.859 57.061 58.000 -0.133 0.000 1.235 322 F CB 0.962 39.746 39.000 -0.361 0.000 1.119 322 F HN -0.086 nan 8.300 nan 0.000 0.562 323 V N 4.912 124.433 119.914 -0.655 0.000 2.387 323 V HA -0.014 4.106 4.120 -0.000 0.000 0.260 323 V C 0.025 175.845 176.094 -0.457 0.000 1.054 323 V CA -0.652 61.432 62.300 -0.360 0.000 0.967 323 V CB -0.088 31.596 31.823 -0.231 0.000 1.036 323 V HN 0.969 nan 8.190 nan 0.000 0.481 324 W N 3.268 124.566 121.300 -0.003 0.000 3.180 324 W HA 0.201 4.861 4.660 -0.000 0.000 0.254 324 W C 1.537 178.076 176.519 0.034 0.000 1.318 324 W CA -0.538 56.893 57.345 0.145 0.000 1.608 324 W CB 0.112 29.684 29.460 0.187 0.000 1.124 324 W HN 0.630 nan 8.180 nan 0.000 0.694 325 R N 1.463 122.000 120.500 0.062 0.000 2.449 325 R HA 0.057 4.397 4.340 -0.000 0.000 0.296 325 R C -0.312 175.903 176.300 -0.142 0.000 1.047 325 R CA -0.150 55.890 56.100 -0.100 0.000 1.018 325 R CB 0.481 30.648 30.300 -0.222 0.000 0.962 325 R HN -0.169 nan 8.270 nan 0.000 0.428 326 D N 4.646 124.926 120.400 -0.200 0.000 2.411 326 D HA 0.104 4.744 4.640 -0.000 0.000 0.225 326 D C 1.097 177.236 176.300 -0.269 0.000 1.156 326 D CA -0.637 53.279 54.000 -0.140 0.000 0.874 326 D CB 0.607 41.415 40.800 0.013 0.000 1.034 326 D HN 0.705 nan 8.370 nan 0.000 0.502 327 I N 3.177 123.619 120.570 -0.213 0.000 2.502 327 I HA -0.279 3.891 4.170 -0.000 0.000 0.258 327 I C 2.127 178.167 176.117 -0.128 0.000 1.172 327 I CA 0.379 61.536 61.300 -0.239 0.000 1.430 327 I CB -0.167 37.670 38.000 -0.271 0.000 1.086 327 I HN 0.409 nan 8.210 nan 0.000 0.440 328 L N 1.072 122.288 121.223 -0.011 0.000 2.131 328 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 328 L C 1.888 178.901 176.870 0.238 0.000 1.092 328 L CA 2.011 56.935 54.840 0.139 0.000 0.759 328 L CB -0.438 41.754 42.059 0.221 0.000 0.903 328 L HN 0.543 nan 8.230 nan 0.000 0.435 329 Y N -4.071 116.268 120.300 0.064 0.000 2.729 329 Y HA 0.435 4.985 4.550 -0.000 0.000 0.266 329 Y C 0.911 176.805 175.900 -0.009 0.000 1.064 329 Y CA -0.620 57.527 58.100 0.079 0.000 1.251 329 Y CB -0.776 37.813 38.460 0.214 0.000 1.379 329 Y HN 0.166 nan 8.280 nan 0.000 0.569 330 Q N 1.434 120.836 119.800 -0.663 0.000 2.211 330 Q HA 0.393 4.733 4.340 -0.000 0.000 0.301 330 Q C -0.475 174.827 176.000 -1.163 0.000 0.884 330 Q CA -0.262 54.916 55.803 -1.042 0.000 1.115 330 Q CB 1.095 29.301 28.738 -0.887 0.000 1.217 330 Q HN 0.244 nan 8.270 nan 0.000 0.451 331 S N 0.569 115.899 115.700 -0.617 0.000 2.614 331 S HA 0.396 4.866 4.470 -0.000 0.000 0.275 331 S C -1.524 173.149 174.600 0.122 0.000 1.161 331 S CA -0.772 57.269 58.200 -0.266 0.000 0.969 331 S CB 0.777 63.836 63.200 -0.235 0.000 1.059 331 S HN 0.175 nan 8.310 nan 0.000 0.482 332 N N 3.906 122.746 118.700 0.233 0.000 2.426 332 N HA 0.548 5.288 4.740 -0.000 0.000 0.275 332 N C -0.955 174.699 175.510 0.239 0.000 1.019 332 N CA -0.078 53.116 53.050 0.239 0.000 0.941 332 N CB 1.005 39.620 38.487 0.212 0.000 1.123 332 N HN 0.727 nan 8.380 nan 0.000 0.486 333 Y N -1.648 118.667 120.300 0.026 0.000 2.625 333 Y HA 0.490 5.040 4.550 -0.000 0.000 0.338 333 Y C -0.610 175.299 175.900 0.015 0.000 1.123 333 Y CA -1.366 56.741 58.100 0.011 0.000 1.046 333 Y CB 0.818 39.276 38.460 -0.003 0.000 1.299 333 Y HN 0.224 nan 8.280 nan 0.000 0.464 334 E N 4.224 124.443 120.200 0.031 0.000 2.105 334 E HA 0.175 4.525 4.350 -0.000 0.000 0.285 334 E C -1.798 174.799 176.600 -0.006 0.000 1.055 334 E CA -1.936 54.436 56.400 -0.046 0.000 0.843 334 E CB 1.115 30.857 29.700 0.070 0.000 1.067 334 E HN 0.516 nan 8.360 nan 0.000 0.398 335 P HA -0.183 nan 4.420 nan 0.000 0.218 335 P C 0.823 178.198 177.300 0.125 0.000 1.148 335 P CA 1.415 64.510 63.100 -0.010 0.000 0.822 335 P CB 0.287 31.884 31.700 -0.171 0.000 0.784 336 G N -0.318 108.517 108.800 0.058 0.000 2.553 336 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.242 336 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.242 336 G C 0.983 175.939 174.900 0.092 0.000 1.277 336 G CA 0.211 45.357 45.100 0.078 0.000 0.910 336 G HN 0.160 nan 8.290 nan 0.000 0.576 337 S N 0.609 116.359 115.700 0.084 0.000 2.469 337 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 337 S C 2.558 177.214 174.600 0.093 0.000 0.998 337 S CA 2.436 60.679 58.200 0.071 0.000 0.957 337 S CB -0.587 62.611 63.200 -0.004 0.000 0.764 337 S HN 1.501 nan 8.310 nan 0.000 0.514 338 T N 0.065 114.712 114.554 0.154 0.000 2.977 338 T HA 0.035 4.385 4.350 -0.000 0.000 0.271 338 T C 1.565 176.398 174.700 0.222 0.000 1.105 338 T CA 0.658 62.906 62.100 0.248 0.000 1.116 338 T CB -0.254 68.864 68.868 0.416 0.000 0.878 338 T HN 0.174 nan 8.240 nan 0.000 0.509 339 M N 1.269 120.933 119.600 0.107 0.000 2.319 339 M HA 0.106 4.586 4.480 -0.000 0.000 0.265 339 M C 1.942 178.292 176.300 0.082 0.000 1.068 339 M CA 1.118 56.436 55.300 0.031 0.000 1.118 339 M CB -0.690 31.892 32.600 -0.030 0.000 1.395 339 M HN 0.324 nan 8.290 nan 0.000 0.435 340 K N -0.727 119.750 120.400 0.128 0.000 2.360 340 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 340 K C 1.806 178.579 176.600 0.288 0.000 1.046 340 K CA 0.778 57.176 56.287 0.184 0.000 0.940 340 K CB -0.135 32.496 32.500 0.217 0.000 0.748 340 K HN 0.187 nan 8.250 nan 0.000 0.465 341 V N 0.871 120.951 119.914 0.278 0.000 2.358 341 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 341 V C 2.058 178.181 176.094 0.049 0.000 1.047 341 V CA 1.550 63.993 62.300 0.239 0.000 1.035 341 V CB -0.281 31.742 31.823 0.333 0.000 0.658 341 V HN 0.271 nan 8.190 nan 0.000 0.452 342 M N -1.209 118.374 119.600 -0.028 0.000 2.200 342 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 342 M C 1.997 178.311 176.300 0.023 0.000 1.066 342 M CA 1.744 56.920 55.300 -0.208 0.000 1.127 342 M CB -0.813 31.509 32.600 -0.464 0.000 1.379 342 M HN 0.346 nan 8.290 nan 0.000 0.420 343 M N -0.470 119.099 119.600 -0.051 0.000 2.132 343 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 343 M C 1.828 177.928 176.300 -0.334 0.000 1.065 343 M CA 1.598 56.674 55.300 -0.374 0.000 1.122 343 M CB -0.568 31.697 32.600 -0.558 0.000 1.365 343 M HN 0.238 nan 8.290 nan 0.000 0.411 344 L N 0.296 121.341 121.223 -0.297 0.000 2.005 344 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 344 L C 2.371 178.959 176.870 -0.469 0.000 1.072 344 L CA 2.214 56.733 54.840 -0.535 0.000 0.744 344 L CB -1.247 40.316 42.059 -0.826 0.000 0.895 344 L HN 0.346 nan 8.230 nan 0.000 0.433 345 A N -0.641 122.018 122.820 -0.269 0.000 1.940 345 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 345 A C 2.419 179.905 177.584 -0.162 0.000 1.176 345 A CA 1.916 53.869 52.037 -0.139 0.000 0.631 345 A CB -1.136 17.902 19.000 0.063 0.000 0.814 345 A HN 0.574 nan 8.150 nan 0.000 0.446 346 A N -0.231 122.461 122.820 -0.213 0.000 1.898 346 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 346 A C 2.506 179.761 177.584 -0.548 0.000 1.181 346 A CA 1.960 53.610 52.037 -0.645 0.000 0.620 346 A CB -1.008 17.701 19.000 -0.485 0.000 0.819 346 A HN 1.070 nan 8.150 nan 0.000 0.442 347 A N -0.147 122.464 122.820 -0.347 0.000 1.933 347 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 347 A C 2.072 179.593 177.584 -0.106 0.000 1.175 347 A CA 1.533 53.442 52.037 -0.214 0.000 0.628 347 A CB -0.589 18.275 19.000 -0.228 0.000 0.814 347 A HN 0.514 nan 8.150 nan 0.000 0.444 348 I N -0.707 119.765 120.570 -0.162 0.000 2.286 348 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 348 I C 2.164 178.272 176.117 -0.014 0.000 1.104 348 I CA 1.623 62.895 61.300 -0.047 0.000 1.397 348 I CB -0.340 37.593 38.000 -0.110 0.000 1.072 348 I HN 0.290 nan 8.210 nan 0.000 0.417 349 D N 1.022 121.394 120.400 -0.046 0.000 2.178 349 D HA -0.220 4.420 4.640 -0.000 0.000 0.202 349 D C 1.798 178.161 176.300 0.105 0.000 0.974 349 D CA 1.121 55.141 54.000 0.035 0.000 0.841 349 D CB -0.072 40.769 40.800 0.068 0.000 0.953 349 D HN 0.107 nan 8.370 nan 0.000 0.478 350 N N -0.135 118.621 118.700 0.092 0.000 2.398 350 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 350 N C -0.124 175.435 175.510 0.082 0.000 1.122 350 N CA 0.218 53.361 53.050 0.155 0.000 0.866 350 N CB -0.099 38.516 38.487 0.214 0.000 0.970 350 N HN 0.057 nan 8.380 nan 0.000 0.462 351 N N -0.798 117.935 118.700 0.056 0.000 2.725 351 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 351 N C -0.957 174.570 175.510 0.028 0.000 1.103 351 N CA 1.377 54.453 53.050 0.043 0.000 0.707 351 N CB -1.623 36.886 38.487 0.037 0.000 1.043 351 N HN 0.347 nan 8.380 nan 0.000 0.553 352 T N -3.187 111.382 114.554 0.025 0.000 3.374 352 T HA 0.338 4.688 4.350 -0.000 0.000 0.267 352 T C -0.379 174.310 174.700 -0.018 0.000 0.996 352 T CA -0.567 61.524 62.100 -0.016 0.000 0.977 352 T CB -0.484 68.370 68.868 -0.023 0.000 1.149 352 T HN 0.257 nan 8.240 nan 0.000 0.517 353 F N 3.595 123.446 119.950 -0.166 0.000 2.564 353 F HA 0.468 4.995 4.527 -0.000 0.000 0.368 353 F C -2.622 173.101 175.800 -0.128 0.000 1.127 353 F CA -2.819 55.058 58.000 -0.206 0.000 1.170 353 F CB 1.717 40.611 39.000 -0.176 0.000 1.397 353 F HN -0.008 nan 8.300 nan 0.000 0.493 354 P HA 0.241 nan 4.420 nan 0.000 0.256 354 P C 0.943 177.936 177.300 -0.511 0.000 1.689 354 P CA 0.008 62.886 63.100 -0.371 0.000 1.124 354 P CB 0.930 32.539 31.700 -0.153 0.000 1.766 355 G N 3.082 111.383 108.800 -0.831 0.000 2.475 355 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 355 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 355 G C 1.382 176.160 174.900 -0.203 0.000 1.125 355 G CA 0.814 45.478 45.100 -0.725 0.000 0.755 355 G HN 0.534 nan 8.290 nan 0.000 0.565 356 G N -0.523 108.204 108.800 -0.122 0.000 2.939 356 G HA2 0.165 4.125 3.960 -0.000 0.000 0.210 356 G HA3 0.165 4.125 3.960 -0.000 0.000 0.210 356 G C 0.536 175.426 174.900 -0.017 0.000 1.160 356 G CA -0.017 45.053 45.100 -0.049 0.000 0.770 356 G HN 0.499 nan 8.290 nan 0.000 0.543 357 E N 0.971 121.199 120.200 0.046 0.000 2.366 357 E HA 0.269 4.619 4.350 -0.000 0.000 0.266 357 E C -0.419 176.173 176.600 -0.014 0.000 1.015 357 E CA -0.387 56.074 56.400 0.100 0.000 0.906 357 E CB 0.848 30.710 29.700 0.270 0.000 0.979 357 E HN -0.058 nan 8.360 nan 0.000 0.443 358 V N 6.280 126.146 119.914 -0.080 0.000 2.509 358 V HA 0.334 4.454 4.120 -0.000 0.000 0.284 358 V C -0.062 175.921 176.094 -0.185 0.000 1.047 358 V CA -0.258 61.921 62.300 -0.202 0.000 0.952 358 V CB 0.176 31.893 31.823 -0.175 0.000 0.988 358 V HN 0.557 nan 8.190 nan 0.000 0.469 359 F N 1.656 121.341 119.950 -0.441 0.000 2.664 359 F HA 0.594 5.121 4.527 -0.000 0.000 0.329 359 F C -0.597 175.061 175.800 -0.238 0.000 1.090 359 F CA -1.318 56.470 58.000 -0.353 0.000 0.978 359 F CB 1.851 40.528 39.000 -0.538 0.000 1.378 359 F HN 0.410 nan 8.300 nan 0.000 0.495 360 N N 0.475 119.121 118.700 -0.091 0.000 2.392 360 N HA 0.176 4.916 4.740 -0.000 0.000 0.283 360 N C 0.079 175.611 175.510 0.037 0.000 1.003 360 N CA -0.029 52.933 53.050 -0.147 0.000 0.892 360 N CB 1.856 40.308 38.487 -0.058 0.000 1.193 360 N HN 0.866 nan 8.380 nan 0.000 0.487 361 S N 1.341 116.993 115.700 -0.079 0.000 2.720 361 S HA 0.040 4.510 4.470 -0.000 0.000 0.222 361 S C 0.531 175.167 174.600 0.059 0.000 0.958 361 S CA -0.343 57.913 58.200 0.093 0.000 0.943 361 S CB -0.168 63.043 63.200 0.019 0.000 0.779 361 S HN 0.374 nan 8.310 nan 0.000 0.526 362 S N 2.244 117.963 115.700 0.031 0.000 2.589 362 S HA 0.123 4.593 4.470 -0.000 0.000 0.265 362 S C 0.222 174.842 174.600 0.032 0.000 1.342 362 S CA -0.529 57.681 58.200 0.016 0.000 1.005 362 S CB 0.236 63.438 63.200 0.003 0.000 0.909 362 S HN 0.558 nan 8.310 nan 0.000 0.555 363 E N 1.229 121.441 120.200 0.020 0.000 2.820 363 E HA -0.077 4.273 4.350 -0.000 0.000 0.251 363 E C -0.712 175.909 176.600 0.034 0.000 0.944 363 E CA 0.253 56.666 56.400 0.023 0.000 0.955 363 E CB 0.167 29.879 29.700 0.019 0.000 0.904 363 E HN 0.219 nan 8.360 nan 0.000 0.513 364 L N 3.938 125.185 121.223 0.039 0.000 2.307 364 L HA 0.277 4.617 4.340 -0.000 0.000 0.282 364 L C -0.071 176.830 176.870 0.051 0.000 1.051 364 L CA -0.178 54.691 54.840 0.048 0.000 0.804 364 L CB 1.216 43.307 42.059 0.054 0.000 1.197 364 L HN 0.434 nan 8.230 nan 0.000 0.431 365 K N 6.002 126.432 120.400 0.049 0.000 2.274 365 K HA 0.554 4.874 4.320 -0.000 0.000 0.262 365 K C -1.055 175.576 176.600 0.053 0.000 0.961 365 K CA -0.567 55.750 56.287 0.050 0.000 0.833 365 K CB 2.154 34.678 32.500 0.041 0.000 1.102 365 K HN 0.508 nan 8.250 nan 0.000 0.436 366 I N 1.933 122.538 120.570 0.058 0.000 2.517 366 I HA 0.142 4.312 4.170 -0.000 0.000 0.280 366 I C -0.063 176.085 176.117 0.052 0.000 1.061 366 I CA -0.631 60.704 61.300 0.057 0.000 1.091 366 I CB 1.763 39.804 38.000 0.069 0.000 1.205 366 I HN 0.757 nan 8.210 nan 0.000 0.459 367 A N 4.499 127.345 122.820 0.044 0.000 2.046 367 A HA -0.258 4.062 4.320 -0.000 0.000 0.265 367 A C 0.692 178.300 177.584 0.040 0.000 1.343 367 A CA 1.365 53.425 52.037 0.039 0.000 0.749 367 A CB -1.348 17.673 19.000 0.036 0.000 1.171 367 A HN 1.061 nan 8.150 nan 0.000 0.316 368 D N -2.942 117.482 120.400 0.039 0.000 2.746 368 D HA 0.046 4.686 4.640 -0.000 0.000 0.236 368 D C 0.026 176.355 176.300 0.047 0.000 1.129 368 D CA 2.300 56.324 54.000 0.039 0.000 0.691 368 D CB -1.086 39.734 40.800 0.034 0.000 1.077 368 D HN 2.103 nan 8.370 nan 0.000 0.432 369 A N -0.134 122.719 122.820 0.054 0.000 2.520 369 A HA 0.741 5.061 4.320 -0.000 0.000 0.298 369 A C -0.050 177.576 177.584 0.069 0.000 1.051 369 A CA -0.102 51.975 52.037 0.067 0.000 0.690 369 A CB 1.681 20.727 19.000 0.076 0.000 1.281 369 A HN 0.379 nan 8.150 nan 0.000 0.402 370 T N 0.178 114.775 114.554 0.072 0.000 2.792 370 T HA 0.656 5.006 4.350 -0.000 0.000 0.280 370 T C -0.387 174.359 174.700 0.075 0.000 0.990 370 T CA -0.597 61.542 62.100 0.065 0.000 0.960 370 T CB 0.668 69.564 68.868 0.047 0.000 0.939 370 T HN 0.409 nan 8.240 nan 0.000 0.439 371 I N 3.183 123.795 120.570 0.069 0.000 2.315 371 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 371 I C 0.527 176.629 176.117 -0.026 0.000 1.006 371 I CA -0.491 60.834 61.300 0.042 0.000 1.265 371 I CB 1.035 39.077 38.000 0.071 0.000 1.387 371 I HN 0.744 nan 8.210 nan 0.000 0.475 372 R N 3.488 123.941 120.500 -0.077 0.000 2.854 372 R HA 0.524 4.864 4.340 -0.000 0.000 0.271 372 R C -1.178 175.067 176.300 -0.091 0.000 0.996 372 R CA -0.632 55.435 56.100 -0.056 0.000 0.961 372 R CB 2.026 32.314 30.300 -0.020 0.000 1.182 372 R HN 0.474 nan 8.270 nan 0.000 0.479 373 D N 0.542 120.929 120.400 -0.022 0.000 2.384 373 D HA 0.158 4.798 4.640 -0.000 0.000 0.250 373 D C 0.760 177.123 176.300 0.104 0.000 1.029 373 D CA -0.469 53.555 54.000 0.040 0.000 0.990 373 D CB 0.559 41.395 40.800 0.060 0.000 1.175 373 D HN 0.554 nan 8.370 nan 0.000 0.532 374 W N 0.279 121.546 121.300 -0.055 0.000 2.467 374 W HA -0.042 4.618 4.660 -0.000 0.000 0.275 374 W C 0.362 176.877 176.519 -0.007 0.000 1.239 374 W CA 0.487 57.802 57.345 -0.051 0.000 1.266 374 W CB -0.749 28.661 29.460 -0.083 0.000 1.112 374 W HN 0.165 nan 8.180 nan 0.000 0.576 375 D N 1.573 121.744 120.400 -0.380 0.000 2.178 375 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 375 D C 2.391 178.588 176.300 -0.171 0.000 0.974 375 D CA 1.679 55.422 54.000 -0.428 0.000 0.841 375 D CB -0.239 40.302 40.800 -0.433 0.000 0.953 375 D HN 0.131 nan 8.370 nan 0.000 0.478 376 V N 0.189 120.050 119.914 -0.088 0.000 2.992 376 V HA -0.022 4.098 4.120 -0.000 0.000 0.250 376 V C 1.889 177.980 176.094 -0.005 0.000 1.090 376 V CA 0.738 63.013 62.300 -0.041 0.000 1.101 376 V CB -0.447 31.360 31.823 -0.026 0.000 0.743 376 V HN 0.059 nan 8.190 nan 0.000 0.468 377 N N 0.654 119.368 118.700 0.024 0.000 2.270 377 N HA -0.122 4.618 4.740 -0.000 0.000 0.181 377 N C 1.755 177.301 175.510 0.060 0.000 1.016 377 N CA 1.165 54.246 53.050 0.051 0.000 0.870 377 N CB 0.081 38.614 38.487 0.078 0.000 0.979 377 N HN 0.547 nan 8.380 nan 0.000 0.431 378 E N -1.503 118.733 120.200 0.059 0.000 2.447 378 E HA 0.177 4.527 4.350 -0.000 0.000 0.195 378 E C 1.086 177.696 176.600 0.016 0.000 1.028 378 E CA 0.352 56.788 56.400 0.059 0.000 0.876 378 E CB 0.263 30.020 29.700 0.095 0.000 0.885 378 E HN 0.387 nan 8.360 nan 0.000 0.500 379 G N 1.283 110.077 108.800 -0.010 0.000 2.238 379 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.270 379 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.270 379 G C 0.964 175.838 174.900 -0.043 0.000 0.977 379 G CA 0.947 46.032 45.100 -0.025 0.000 0.639 379 G HN 0.250 nan 8.290 nan 0.000 0.544 380 L N 0.303 121.494 121.223 -0.054 0.000 1.976 380 L HA 0.063 4.403 4.340 -0.000 0.000 0.209 380 L C 2.411 179.227 176.870 -0.091 0.000 1.071 380 L CA 2.092 56.893 54.840 -0.064 0.000 0.746 380 L CB -0.500 41.523 42.059 -0.059 0.000 0.890 380 L HN 0.487 nan 8.230 nan 0.000 0.432 381 T N -1.917 112.555 114.554 -0.138 0.000 3.316 381 T HA 0.390 4.740 4.350 -0.000 0.000 0.253 381 T C 0.435 175.041 174.700 -0.157 0.000 0.995 381 T CA -0.440 61.569 62.100 -0.151 0.000 1.031 381 T CB -0.008 68.747 68.868 -0.187 0.000 1.125 381 T HN 0.195 nan 8.240 nan 0.000 0.539 382 G N 0.416 109.144 108.800 -0.119 0.000 2.354 382 G HA2 0.478 4.438 3.960 -0.000 0.000 0.266 382 G HA3 0.478 4.438 3.960 -0.000 0.000 0.266 382 G C 0.765 175.612 174.900 -0.088 0.000 1.242 382 G CA -0.053 44.987 45.100 -0.101 0.000 0.923 382 G HN 1.324 nan 8.290 nan 0.000 0.476 383 G N 2.041 110.786 108.800 -0.093 0.000 2.980 383 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.255 383 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.255 383 G C -0.053 174.776 174.900 -0.119 0.000 1.020 383 G CA -0.628 44.419 45.100 -0.088 0.000 1.230 383 G HN 0.858 nan 8.290 nan 0.000 0.580 384 R N 0.821 121.229 120.500 -0.154 0.000 2.668 384 R HA 0.724 5.064 4.340 -0.000 0.000 0.279 384 R C 0.148 176.276 176.300 -0.286 0.000 0.976 384 R CA -0.997 54.987 56.100 -0.193 0.000 0.978 384 R CB 0.950 31.130 30.300 -0.199 0.000 1.133 384 R HN 0.307 nan 8.270 nan 0.000 0.484 385 M N 4.612 124.048 119.600 -0.272 0.000 2.114 385 M HA 0.407 4.887 4.480 -0.000 0.000 0.332 385 M C -0.470 175.577 176.300 -0.422 0.000 1.014 385 M CA -0.082 55.006 55.300 -0.355 0.000 0.956 385 M CB 1.091 33.558 32.600 -0.222 0.000 1.551 385 M HN 0.674 nan 8.290 nan 0.000 0.427 386 M N 0.903 120.077 119.600 -0.711 0.000 2.644 386 M HA 0.644 5.124 4.480 -0.000 0.000 0.273 386 M C -0.261 175.626 176.300 -0.688 0.000 1.253 386 M CA -0.874 53.996 55.300 -0.716 0.000 0.852 386 M CB 2.014 34.066 32.600 -0.913 0.000 1.708 386 M HN 0.508 nan 8.290 nan 0.000 0.471 387 T N -1.566 112.744 114.554 -0.406 0.000 2.828 387 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 387 T C 0.451 175.178 174.700 0.046 0.000 1.019 387 T CA -0.203 61.788 62.100 -0.181 0.000 1.031 387 T CB 0.435 69.250 68.868 -0.089 0.000 1.001 387 T HN 0.505 nan 8.240 nan 0.000 0.531 388 F N 0.664 120.749 119.950 0.225 0.000 2.216 388 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 388 F C 3.006 179.030 175.800 0.373 0.000 1.085 388 F CA 1.190 59.358 58.000 0.280 0.000 1.326 388 F CB -0.784 38.241 39.000 0.043 0.000 1.027 388 F HN 0.566 nan 8.300 nan 0.000 0.497 389 S N -0.668 115.290 115.700 0.430 0.000 2.368 389 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 389 S C 1.951 176.754 174.600 0.338 0.000 1.029 389 S CA 1.043 59.511 58.200 0.446 0.000 0.988 389 S CB -0.255 63.116 63.200 0.286 0.000 0.838 389 S HN 0.447 nan 8.310 nan 0.000 0.462 390 Q N 0.115 120.001 119.800 0.144 0.000 2.172 390 Q HA 0.002 4.342 4.340 -0.000 0.000 0.200 390 Q C 2.373 178.409 176.000 0.060 0.000 0.964 390 Q CA 1.067 56.843 55.803 -0.045 0.000 0.855 390 Q CB -0.356 28.068 28.738 -0.524 0.000 0.918 390 Q HN 0.604 nan 8.270 nan 0.000 0.444 391 G N 0.157 109.097 108.800 0.233 0.000 2.422 391 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 391 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 391 G C 1.127 176.264 174.900 0.395 0.000 1.140 391 G CA 0.248 45.605 45.100 0.428 0.000 0.775 391 G HN 0.330 nan 8.290 nan 0.000 0.545 392 F N 2.146 122.252 119.950 0.259 0.000 2.187 392 F HA 0.268 4.795 4.527 -0.000 0.000 0.295 392 F C 2.675 178.582 175.800 0.179 0.000 1.091 392 F CA 1.076 59.188 58.000 0.187 0.000 1.308 392 F CB -0.127 38.963 39.000 0.150 0.000 1.030 392 F HN 0.188 nan 8.300 nan 0.000 0.487 393 A N -1.140 121.812 122.820 0.220 0.000 1.969 393 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 393 A C 1.755 179.447 177.584 0.180 0.000 1.169 393 A CA 1.898 54.030 52.037 0.157 0.000 0.635 393 A CB -1.165 17.990 19.000 0.259 0.000 0.810 393 A HN 0.610 nan 8.150 nan 0.000 0.445 394 H N -0.988 118.181 119.070 0.164 0.000 2.551 394 H HA 0.203 4.759 4.556 -0.000 0.000 0.266 394 H C 0.715 176.186 175.328 0.238 0.000 0.964 394 H CA 0.709 56.923 56.048 0.277 0.000 1.180 394 H CB 0.019 29.985 29.762 0.340 0.000 1.408 394 H HN 0.341 nan 8.280 nan 0.000 0.563 395 S N -0.067 115.677 115.700 0.073 0.000 3.791 395 S HA -0.223 4.247 4.470 -0.000 0.000 0.393 395 S C -0.064 174.589 174.600 0.088 0.000 0.936 395 S CA 0.517 58.695 58.200 -0.036 0.000 1.234 395 S CB -1.800 61.306 63.200 -0.156 0.000 0.891 395 S HN 0.573 nan 8.310 nan 0.000 0.519 396 S N 1.245 117.059 115.700 0.189 0.000 2.474 396 S HA 0.410 4.880 4.470 -0.000 0.000 0.276 396 S C 1.304 175.926 174.600 0.037 0.000 1.227 396 S CA -0.572 57.752 58.200 0.206 0.000 1.050 396 S CB 0.451 63.880 63.200 0.383 0.000 0.939 396 S HN 0.598 nan 8.310 nan 0.000 0.490 397 N N 4.018 122.642 118.700 -0.127 0.000 2.270 397 N HA -0.074 4.666 4.740 -0.000 0.000 0.181 397 N C 1.710 177.058 175.510 -0.271 0.000 1.016 397 N CA 0.837 53.616 53.050 -0.452 0.000 0.870 397 N CB -0.377 37.503 38.487 -1.012 0.000 0.979 397 N HN 0.460 nan 8.380 nan 0.000 0.431 398 V N 0.768 120.615 119.914 -0.112 0.000 2.307 398 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 398 V C 2.432 178.463 176.094 -0.104 0.000 1.045 398 V CA 2.050 64.331 62.300 -0.031 0.000 1.024 398 V CB -1.191 30.684 31.823 0.087 0.000 0.651 398 V HN 0.318 nan 8.190 nan 0.000 0.449 399 G N -1.033 107.631 108.800 -0.226 0.000 2.432 399 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 399 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 399 G C 1.524 176.350 174.900 -0.123 0.000 1.135 399 G CA 1.113 45.842 45.100 -0.619 0.000 0.767 399 G HN 0.384 nan 8.290 nan 0.000 0.550 400 M N 0.692 120.270 119.600 -0.036 0.000 2.349 400 M HA 0.126 4.606 4.480 -0.000 0.000 0.266 400 M C 2.478 178.747 176.300 -0.052 0.000 1.076 400 M CA 1.098 56.389 55.300 -0.015 0.000 1.126 400 M CB -0.329 32.303 32.600 0.053 0.000 1.392 400 M HN 0.124 nan 8.290 nan 0.000 0.440 401 T N -0.097 114.463 114.554 0.009 0.000 2.942 401 T HA 0.037 4.387 4.350 -0.000 0.000 0.265 401 T C 1.776 176.461 174.700 -0.025 0.000 1.062 401 T CA 0.895 63.017 62.100 0.037 0.000 1.139 401 T CB -0.158 68.789 68.868 0.130 0.000 0.883 401 T HN 0.300 nan 8.240 nan 0.000 0.468 402 L N 0.439 121.640 121.223 -0.037 0.000 2.141 402 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 402 L C 2.312 179.097 176.870 -0.141 0.000 1.094 402 L CA 0.926 55.751 54.840 -0.026 0.000 0.763 402 L CB -0.435 41.671 42.059 0.078 0.000 0.908 402 L HN 0.251 nan 8.230 nan 0.000 0.437 403 L N -0.604 120.478 121.223 -0.235 0.000 2.217 403 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 403 L C 2.691 179.417 176.870 -0.239 0.000 1.107 403 L CA 0.757 55.398 54.840 -0.332 0.000 0.783 403 L CB -0.334 41.538 42.059 -0.311 0.000 0.919 403 L HN 0.302 nan 8.230 nan 0.000 0.442 404 E N 0.290 120.359 120.200 -0.218 0.000 2.112 404 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 404 E C 1.952 178.506 176.600 -0.077 0.000 0.979 404 E CA 1.096 57.365 56.400 -0.217 0.000 0.814 404 E CB 0.155 29.696 29.700 -0.265 0.000 0.762 404 E HN 0.558 nan 8.360 nan 0.000 0.460 405 Q N -0.010 119.757 119.800 -0.055 0.000 2.230 405 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 405 Q C 2.047 178.037 176.000 -0.015 0.000 0.963 405 Q CA 0.793 56.590 55.803 -0.011 0.000 0.866 405 Q CB 0.125 28.866 28.738 0.005 0.000 0.931 405 Q HN 0.122 nan 8.270 nan 0.000 0.452 406 K N 0.171 120.538 120.400 -0.056 0.000 2.217 406 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 406 K C 1.890 178.477 176.600 -0.022 0.000 1.051 406 K CA 0.784 57.038 56.287 -0.056 0.000 0.952 406 K CB 0.065 32.489 32.500 -0.126 0.000 0.736 406 K HN 0.214 nan 8.250 nan 0.000 0.453 407 M N -0.171 119.423 119.600 -0.011 0.000 2.357 407 M HA 0.053 4.533 4.480 -0.000 0.000 0.266 407 M C 0.136 176.489 176.300 0.089 0.000 1.095 407 M CA 1.164 56.495 55.300 0.051 0.000 1.156 407 M CB 0.594 33.231 32.600 0.062 0.000 1.365 407 M HN 0.176 nan 8.290 nan 0.000 0.447 408 G N 1.051 109.897 108.800 0.077 0.000 2.692 408 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 408 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 408 G C -0.617 174.372 174.900 0.149 0.000 1.243 408 G CA -0.241 44.913 45.100 0.091 0.000 0.782 408 G HN 0.422 nan 8.290 nan 0.000 0.625 409 D N 0.484 120.965 120.400 0.134 0.000 2.144 409 D HA 0.074 4.714 4.640 -0.000 0.000 0.199 409 D C 2.732 179.121 176.300 0.149 0.000 0.984 409 D CA 2.371 56.471 54.000 0.166 0.000 0.834 409 D CB -0.267 40.601 40.800 0.112 0.000 0.955 409 D HN 0.924 nan 8.370 nan 0.000 0.465 410 A N 0.080 122.962 122.820 0.104 0.000 1.877 410 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 410 A C 2.311 179.944 177.584 0.081 0.000 1.186 410 A CA 2.063 54.141 52.037 0.068 0.000 0.620 410 A CB -0.924 18.103 19.000 0.044 0.000 0.822 410 A HN 0.232 nan 8.150 nan 0.000 0.443 411 T N -1.543 113.090 114.554 0.132 0.000 2.951 411 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 411 T C 1.562 176.471 174.700 0.350 0.000 1.073 411 T CA 0.889 63.093 62.100 0.173 0.000 1.134 411 T CB -0.286 68.698 68.868 0.192 0.000 0.884 411 T HN 0.709 nan 8.240 nan 0.000 0.479 412 W N 1.311 122.708 121.300 0.160 0.000 2.418 412 W HA 0.052 4.712 4.660 -0.000 0.000 0.292 412 W C 1.546 178.167 176.519 0.170 0.000 1.213 412 W CA 0.231 57.691 57.345 0.191 0.000 1.283 412 W CB -0.261 29.257 29.460 0.096 0.000 1.119 412 W HN 0.182 nan 8.180 nan 0.000 0.542 413 L N 0.909 122.081 121.223 -0.084 0.000 2.141 413 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 413 L C 2.179 178.954 176.870 -0.159 0.000 1.094 413 L CA 2.020 56.730 54.840 -0.217 0.000 0.763 413 L CB -0.720 41.283 42.059 -0.092 0.000 0.908 413 L HN -0.052 nan 8.230 nan 0.000 0.437 414 D N -0.997 119.353 120.400 -0.082 0.000 2.117 414 D HA -0.247 4.393 4.640 -0.000 0.000 0.198 414 D C 1.962 178.166 176.300 -0.159 0.000 0.982 414 D CA 1.493 55.413 54.000 -0.133 0.000 0.828 414 D CB -0.049 40.646 40.800 -0.175 0.000 0.967 414 D HN 0.245 nan 8.370 nan 0.000 0.464 415 Y N 0.181 120.457 120.300 -0.041 0.000 2.352 415 Y HA 0.030 4.580 4.550 -0.000 0.000 0.292 415 Y C 2.166 178.093 175.900 0.045 0.000 1.136 415 Y CA 0.671 58.792 58.100 0.035 0.000 1.227 415 Y CB -0.147 38.475 38.460 0.271 0.000 0.991 415 Y HN 0.060 nan 8.280 nan 0.000 0.545 416 L N -0.397 120.774 121.223 -0.088 0.000 2.093 416 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 416 L C 1.959 178.891 176.870 0.103 0.000 1.085 416 L CA 1.077 55.893 54.840 -0.041 0.000 0.755 416 L CB -0.388 41.447 42.059 -0.373 0.000 0.904 416 L HN 0.283 nan 8.230 nan 0.000 0.435 417 N N -0.034 118.658 118.700 -0.013 0.000 2.354 417 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 417 N C 1.872 177.349 175.510 -0.054 0.000 1.021 417 N CA 0.782 53.814 53.050 -0.029 0.000 0.887 417 N CB 0.069 38.520 38.487 -0.060 0.000 0.974 417 N HN 0.349 nan 8.380 nan 0.000 0.437 418 R N -0.434 120.015 120.500 -0.085 0.000 2.119 418 R HA 0.051 4.391 4.340 -0.000 0.000 0.222 418 R C 1.017 177.178 176.300 -0.232 0.000 1.088 418 R CA 0.656 56.645 56.100 -0.184 0.000 0.984 418 R CB -0.110 30.026 30.300 -0.274 0.000 0.884 418 R HN 0.097 nan 8.270 nan 0.000 0.447 419 F N 1.232 121.121 119.950 -0.101 0.000 2.804 419 F HA 0.125 4.652 4.527 0.000 0.000 0.303 419 F C 0.529 176.043 175.800 -0.477 0.000 1.154 419 F CA 0.299 58.148 58.000 -0.253 0.000 1.401 419 F CB -0.035 38.845 39.000 -0.199 0.000 1.106 419 F HN -0.142 nan 8.300 nan 0.000 0.568 420 K N -0.449 119.869 120.400 -0.137 0.000 3.016 420 K HA -0.247 4.073 4.320 -0.000 0.000 0.262 420 K C -0.373 176.126 176.600 -0.168 0.000 1.043 420 K CA 0.069 56.275 56.287 -0.136 0.000 0.761 420 K CB -1.891 30.543 32.500 -0.110 0.000 1.230 420 K HN 0.115 nan 8.250 nan 0.000 0.485 421 F N 0.661 120.608 119.950 -0.004 0.000 2.471 421 F HA 0.257 4.784 4.527 -0.000 0.000 0.353 421 F C 1.877 177.651 175.800 -0.044 0.000 1.113 421 F CA 1.412 59.384 58.000 -0.047 0.000 1.262 421 F CB 1.031 39.973 39.000 -0.098 0.000 1.146 421 F HN 0.277 nan 8.300 nan 0.000 0.578 422 G N 1.147 110.059 108.800 0.187 0.000 2.268 422 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.240 422 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.240 422 G C -0.380 174.561 174.900 0.070 0.000 1.010 422 G CA -0.052 45.104 45.100 0.093 0.000 0.618 422 G HN 0.614 nan 8.290 nan 0.000 0.516 423 V N 2.942 122.893 119.914 0.062 0.000 2.394 423 V HA 0.526 4.646 4.120 -0.000 0.000 0.282 423 V C -1.631 174.500 176.094 0.062 0.000 1.031 423 V CA -1.562 60.769 62.300 0.051 0.000 0.881 423 V CB 1.642 33.483 31.823 0.030 0.000 0.982 423 V HN 0.129 nan 8.190 nan 0.000 0.451 424 P HA 0.158 nan 4.420 nan 0.000 0.272 424 P C 1.058 178.423 177.300 0.107 0.000 1.240 424 P CA -0.157 63.015 63.100 0.121 0.000 0.791 424 P CB 0.512 32.306 31.700 0.156 0.000 0.978 425 T N -1.804 112.819 114.554 0.116 0.000 2.985 425 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 425 T C 0.736 175.555 174.700 0.198 0.000 1.076 425 T CA 0.085 62.251 62.100 0.110 0.000 1.135 425 T CB -0.511 68.378 68.868 0.035 0.000 0.890 425 T HN 0.256 nan 8.240 nan 0.000 0.480 426 R N 0.819 121.480 120.500 0.268 0.000 3.416 426 R HA -0.149 4.191 4.340 -0.000 0.000 0.263 426 R C 0.556 177.057 176.300 0.336 0.000 1.053 426 R CA 0.717 56.984 56.100 0.278 0.000 0.705 426 R CB -2.907 27.499 30.300 0.177 0.000 1.124 426 R HN 0.742 nan 8.270 nan 0.000 0.444 427 F N -1.801 118.231 119.950 0.138 0.000 2.546 427 F HA 0.212 4.739 4.527 -0.000 0.000 0.298 427 F C 1.421 177.386 175.800 0.274 0.000 1.120 427 F CA 0.929 59.038 58.000 0.183 0.000 1.456 427 F CB -0.022 39.110 39.000 0.220 0.000 1.088 427 F HN 0.255 nan 8.300 nan 0.000 0.572 428 G N 0.244 109.064 108.800 0.034 0.000 2.901 428 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.194 428 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.194 428 G C -0.081 174.768 174.900 -0.084 0.000 1.020 428 G CA -0.119 44.993 45.100 0.021 0.000 0.787 428 G HN 0.319 nan 8.290 nan 0.000 0.477 429 L N 3.041 123.982 121.223 -0.471 0.000 2.350 429 L HA 0.508 4.848 4.340 -0.000 0.000 0.275 429 L C 1.418 178.264 176.870 -0.041 0.000 1.099 429 L CA -0.177 54.400 54.840 -0.438 0.000 0.808 429 L CB 1.341 42.796 42.059 -1.007 0.000 1.149 429 L HN 0.402 nan 8.230 nan 0.000 0.442 430 T N -1.711 112.882 114.554 0.066 0.000 2.900 430 T HA 0.056 4.406 4.350 -0.000 0.000 0.307 430 T C 0.182 175.065 174.700 0.305 0.000 1.065 430 T CA -0.549 61.648 62.100 0.163 0.000 1.105 430 T CB 0.632 69.568 68.868 0.112 0.000 0.979 430 T HN 0.720 nan 8.240 nan 0.000 0.544 431 D N -0.103 120.461 120.400 0.274 0.000 2.718 431 D HA -0.143 4.497 4.640 -0.000 0.000 0.242 431 D C -0.065 176.517 176.300 0.471 0.000 1.123 431 D CA 0.732 54.922 54.000 0.317 0.000 0.690 431 D CB -0.793 40.168 40.800 0.269 0.000 1.059 431 D HN 0.902 nan 8.370 nan 0.000 0.429 432 E N 0.121 120.618 120.200 0.494 0.000 2.259 432 E HA 0.176 4.526 4.350 -0.000 0.000 0.281 432 E C -0.063 176.853 176.600 0.527 0.000 1.027 432 E CA -0.532 56.233 56.400 0.607 0.000 0.838 432 E CB 0.656 30.702 29.700 0.576 0.000 1.066 432 E HN -0.019 nan 8.360 nan 0.000 0.401 433 Y N 1.396 121.809 120.300 0.188 0.000 2.299 433 Y HA 0.232 4.782 4.550 -0.000 0.000 0.335 433 Y C 1.015 176.985 175.900 0.117 0.000 1.287 433 Y CA -0.177 57.994 58.100 0.119 0.000 1.424 433 Y CB 1.228 39.737 38.460 0.082 0.000 1.326 433 Y HN 0.678 nan 8.280 nan 0.000 0.567 434 A N 0.658 123.597 122.820 0.198 0.000 2.108 434 A HA 0.489 4.809 4.320 -0.000 0.000 0.206 434 A C 1.242 178.896 177.584 0.117 0.000 1.212 434 A CA 0.666 52.782 52.037 0.131 0.000 0.843 434 A CB -0.744 18.296 19.000 0.067 0.000 0.902 434 A HN 1.273 nan 8.150 nan 0.000 0.477 435 G N -1.126 107.743 108.800 0.114 0.000 2.693 435 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.226 435 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.226 435 G C -0.392 174.525 174.900 0.029 0.000 1.354 435 G CA 0.079 45.219 45.100 0.067 0.000 0.873 435 G HN 0.968 nan 8.290 nan 0.000 0.562 436 Q N -1.154 118.642 119.800 -0.006 0.000 2.327 436 Q HA 0.531 4.871 4.340 -0.000 0.000 0.265 436 Q C -0.306 175.665 176.000 -0.049 0.000 0.993 436 Q CA -0.839 54.952 55.803 -0.019 0.000 0.885 436 Q CB 1.470 30.193 28.738 -0.025 0.000 1.379 436 Q HN 0.720 nan 8.270 nan 0.000 0.408 437 L N 3.684 124.884 121.223 -0.039 0.000 2.472 437 L HA 0.390 4.730 4.340 -0.000 0.000 0.260 437 L C -1.943 174.884 176.870 -0.073 0.000 1.209 437 L CA -1.616 53.184 54.840 -0.067 0.000 0.817 437 L CB 0.216 42.246 42.059 -0.048 0.000 1.106 437 L HN 0.527 nan 8.230 nan 0.000 0.479 438 P HA 0.100 nan 4.420 nan 0.000 0.272 438 P C -1.005 176.270 177.300 -0.041 0.000 1.223 438 P CA -0.366 62.696 63.100 -0.063 0.000 0.784 438 P CB 0.615 32.278 31.700 -0.063 0.000 0.923 439 A N 1.541 124.345 122.820 -0.027 0.000 2.425 439 A HA 0.077 4.397 4.320 -0.000 0.000 0.249 439 A C 0.446 178.025 177.584 -0.010 0.000 1.084 439 A CA -0.077 51.950 52.037 -0.017 0.000 0.781 439 A CB -0.322 18.672 19.000 -0.011 0.000 1.019 439 A HN 0.488 nan 8.150 nan 0.000 0.490 440 D N 1.624 122.019 120.400 -0.007 0.000 2.441 440 D HA 0.185 4.825 4.640 -0.000 0.000 0.243 440 D C -0.401 175.904 176.300 0.008 0.000 1.257 440 D CA 0.546 54.546 54.000 -0.000 0.000 1.027 440 D CB -0.599 40.200 40.800 -0.002 0.000 1.084 440 D HN 0.693 nan 8.370 nan 0.000 0.514 441 N N 0.208 118.916 118.700 0.014 0.000 2.745 441 N HA 0.116 4.856 4.740 -0.000 0.000 0.256 441 N C 1.120 176.649 175.510 0.031 0.000 1.268 441 N CA -0.851 52.212 53.050 0.021 0.000 0.887 441 N CB 0.622 39.120 38.487 0.019 0.000 1.575 441 N HN 0.014 nan 8.380 nan 0.000 0.496 442 I N -1.730 118.862 120.570 0.036 0.000 2.530 442 I HA -0.148 4.022 4.170 -0.000 0.000 0.257 442 I C 0.669 176.816 176.117 0.050 0.000 1.179 442 I CA 0.764 62.092 61.300 0.046 0.000 1.440 442 I CB -0.354 37.673 38.000 0.044 0.000 1.087 442 I HN 0.367 nan 8.210 nan 0.000 0.440 443 V N 2.064 122.004 119.914 0.043 0.000 2.302 443 V HA -0.173 3.947 4.120 -0.000 0.000 0.243 443 V C 2.186 178.295 176.094 0.026 0.000 1.036 443 V CA 2.373 64.700 62.300 0.045 0.000 1.020 443 V CB -1.200 30.651 31.823 0.048 0.000 0.657 443 V HN 0.450 nan 8.190 nan 0.000 0.453 444 N N 0.394 119.104 118.700 0.016 0.000 2.166 444 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 444 N C 1.760 177.263 175.510 -0.012 0.000 1.019 444 N CA 1.417 54.461 53.050 -0.009 0.000 0.856 444 N CB -0.215 38.269 38.487 -0.006 0.000 0.993 444 N HN 0.432 nan 8.380 nan 0.000 0.426 445 I N 0.521 121.112 120.570 0.035 0.000 2.546 445 I HA -0.115 4.054 4.170 -0.000 0.000 0.255 445 I C 2.269 178.492 176.117 0.177 0.000 1.163 445 I CA 0.377 61.742 61.300 0.108 0.000 1.457 445 I CB -0.216 37.855 38.000 0.118 0.000 1.092 445 I HN 0.161 nan 8.210 nan 0.000 0.434 446 A N 0.321 123.187 122.820 0.076 0.000 1.930 446 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 446 A C 2.264 179.792 177.584 -0.093 0.000 1.176 446 A CA 0.930 52.994 52.037 0.045 0.000 0.632 446 A CB -0.361 18.681 19.000 0.071 0.000 0.819 446 A HN 0.391 nan 8.150 nan 0.000 0.445 447 Q N 0.274 119.935 119.800 -0.233 0.000 2.167 447 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 447 Q C 2.272 177.758 176.000 -0.857 0.000 0.970 447 Q CA 1.615 56.956 55.803 -0.768 0.000 0.855 447 Q CB -0.217 28.262 28.738 -0.433 0.000 0.911 447 Q HN 0.831 nan 8.270 nan 0.000 0.438 448 S N 0.037 115.568 115.700 -0.281 0.000 2.474 448 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 448 S C 1.977 176.638 174.600 0.102 0.000 0.997 448 S CA 1.012 59.173 58.200 -0.066 0.000 0.949 448 S CB -0.251 63.007 63.200 0.097 0.000 0.766 448 S HN 0.394 nan 8.310 nan 0.000 0.517 449 S N 1.958 117.635 115.700 -0.039 0.000 2.423 449 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 449 S C 1.284 175.863 174.600 -0.035 0.000 1.014 449 S CA 0.707 58.748 58.200 -0.264 0.000 0.965 449 S CB -1.001 61.979 63.200 -0.366 0.000 0.785 449 S HN 0.873 nan 8.310 nan 0.000 0.495 450 F N -0.528 119.391 119.950 -0.051 0.000 2.668 450 F HA 0.743 5.270 4.527 -0.000 0.000 0.301 450 F C 1.183 176.968 175.800 -0.026 0.000 1.106 450 F CA -0.632 57.344 58.000 -0.039 0.000 1.289 450 F CB -0.109 38.868 39.000 -0.038 0.000 1.006 450 F HN 0.222 nan 8.300 nan 0.000 0.535 451 G N 0.891 109.636 108.800 -0.092 0.000 2.143 451 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 451 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 451 G C -0.132 174.677 174.900 -0.151 0.000 0.991 451 G CA 0.334 45.368 45.100 -0.109 0.000 0.689 451 G HN 0.708 nan 8.290 nan 0.000 0.522 452 Q N -0.915 118.699 119.800 -0.310 0.000 2.266 452 Q HA 0.541 4.880 4.340 -0.000 0.000 0.261 452 Q C 1.369 177.259 176.000 -0.182 0.000 0.985 452 Q CA 0.243 55.917 55.803 -0.215 0.000 0.873 452 Q CB 1.216 29.788 28.738 -0.276 0.000 1.306 452 Q HN 1.417 nan 8.270 nan 0.000 0.447 453 G N 2.882 111.659 108.800 -0.038 0.000 2.267 453 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 453 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 453 G C -0.041 174.816 174.900 -0.072 0.000 0.998 453 G CA 0.406 45.486 45.100 -0.033 0.000 0.620 453 G HN 0.640 nan 8.290 nan 0.000 0.529 454 I N 1.917 122.414 120.570 -0.122 0.000 2.441 454 I HA 0.648 4.818 4.170 -0.000 0.000 0.295 454 I C 0.351 176.358 176.117 -0.183 0.000 0.994 454 I CA -0.319 60.880 61.300 -0.168 0.000 1.144 454 I CB 1.765 39.612 38.000 -0.255 0.000 1.314 454 I HN 0.334 nan 8.210 nan 0.000 0.445 455 S N 7.626 123.231 115.700 -0.159 0.000 2.475 455 S HA 0.803 5.273 4.470 -0.000 0.000 0.298 455 S C -0.546 173.936 174.600 -0.195 0.000 1.119 455 S CA -0.451 57.651 58.200 -0.163 0.000 1.085 455 S CB 1.608 64.768 63.200 -0.066 0.000 1.028 455 S HN 0.714 nan 8.310 nan 0.000 0.489 456 V N -0.130 119.593 119.914 -0.319 0.000 3.156 456 V HA 0.949 5.069 4.120 -0.000 0.000 0.310 456 V C -0.195 175.785 176.094 -0.190 0.000 1.234 456 V CA -0.477 61.687 62.300 -0.227 0.000 1.065 456 V CB 1.223 32.867 31.823 -0.298 0.000 1.088 456 V HN 1.178 nan 8.190 nan 0.000 0.451 457 T N -1.756 112.831 114.554 0.054 0.000 2.932 457 T HA 0.474 4.824 4.350 -0.000 0.000 0.289 457 T C 0.568 175.461 174.700 0.323 0.000 1.039 457 T CA -0.375 61.873 62.100 0.247 0.000 1.024 457 T CB 1.932 70.929 68.868 0.215 0.000 1.090 457 T HN 0.773 nan 8.240 nan 0.000 0.496 458 Q N 0.441 120.510 119.800 0.449 0.000 2.170 458 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 458 Q C 2.355 178.489 176.000 0.222 0.000 0.976 458 Q CA 1.966 58.039 55.803 0.450 0.000 0.858 458 Q CB -0.541 28.441 28.738 0.406 0.000 0.907 458 Q HN 0.993 nan 8.270 nan 0.000 0.433 459 T N -1.361 113.250 114.554 0.095 0.000 2.867 459 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 459 T C 1.748 176.407 174.700 -0.069 0.000 1.057 459 T CA 0.923 62.975 62.100 -0.081 0.000 1.136 459 T CB -0.079 68.584 68.868 -0.342 0.000 0.874 459 T HN 0.234 nan 8.240 nan 0.000 0.466 460 Q N -0.245 119.549 119.800 -0.011 0.000 2.123 460 Q HA 0.080 4.420 4.340 -0.000 0.000 0.199 460 Q C 2.361 178.272 176.000 -0.149 0.000 0.966 460 Q CA 0.970 56.732 55.803 -0.068 0.000 0.845 460 Q CB -0.183 28.590 28.738 0.059 0.000 0.907 460 Q HN 0.393 nan 8.270 nan 0.000 0.439 461 M N 0.042 119.588 119.600 -0.090 0.000 2.132 461 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 461 M C 2.141 178.068 176.300 -0.622 0.000 1.065 461 M CA 1.379 56.428 55.300 -0.419 0.000 1.122 461 M CB -0.624 31.727 32.600 -0.414 0.000 1.365 461 M HN 0.242 nan 8.290 nan 0.000 0.411 462 I N -0.640 119.827 120.570 -0.171 0.000 2.286 462 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 462 I C 2.715 178.844 176.117 0.021 0.000 1.115 462 I CA 1.072 62.412 61.300 0.067 0.000 1.392 462 I CB -0.403 37.675 38.000 0.129 0.000 1.065 462 I HN 0.306 nan 8.210 nan 0.000 0.418 463 R N 1.095 121.555 120.500 -0.067 0.000 2.081 463 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 463 R C 2.331 178.604 176.300 -0.046 0.000 1.131 463 R CA 1.589 57.659 56.100 -0.051 0.000 0.960 463 R CB -0.199 30.044 30.300 -0.094 0.000 0.856 463 R HN 0.354 nan 8.270 nan 0.000 0.436 464 A N 0.186 122.904 122.820 -0.170 0.000 1.897 464 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 464 A C 1.831 179.429 177.584 0.023 0.000 1.181 464 A CA 0.915 52.889 52.037 -0.104 0.000 0.620 464 A CB -0.553 18.189 19.000 -0.431 0.000 0.821 464 A HN 0.331 nan 8.150 nan 0.000 0.443 465 F N 1.496 121.442 119.950 -0.006 0.000 2.171 465 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 465 F C 2.903 178.724 175.800 0.035 0.000 1.090 465 F CA 1.504 59.502 58.000 -0.003 0.000 1.293 465 F CB -1.370 37.601 39.000 -0.049 0.000 1.013 465 F HN 0.400 nan 8.300 nan 0.000 0.486 466 T N -2.047 112.642 114.554 0.225 0.000 2.881 466 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 466 T C 2.158 176.928 174.700 0.117 0.000 1.068 466 T CA 1.014 63.200 62.100 0.144 0.000 1.131 466 T CB -0.781 68.151 68.868 0.105 0.000 0.871 466 T HN 0.181 nan 8.240 nan 0.000 0.479 467 A N 1.615 124.520 122.820 0.142 0.000 1.855 467 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 467 A C 2.235 179.892 177.584 0.122 0.000 1.191 467 A CA 1.310 53.417 52.037 0.117 0.000 0.613 467 A CB -0.790 18.322 19.000 0.187 0.000 0.829 467 A HN 0.456 nan 8.150 nan 0.000 0.442 468 I N 0.010 120.691 120.570 0.184 0.000 2.493 468 I HA -0.164 4.006 4.170 -0.000 0.000 0.254 468 I C 2.585 178.757 176.117 0.092 0.000 1.160 468 I CA 1.275 62.661 61.300 0.144 0.000 1.445 468 I CB -0.238 37.870 38.000 0.181 0.000 1.086 468 I HN 0.318 nan 8.210 nan 0.000 0.433 469 A N -0.634 122.243 122.820 0.096 0.000 2.132 469 A HA 0.099 4.419 4.320 -0.000 0.000 0.213 469 A C 1.076 178.684 177.584 0.039 0.000 1.154 469 A CA 0.504 52.577 52.037 0.060 0.000 0.753 469 A CB -0.337 18.701 19.000 0.063 0.000 0.826 469 A HN 0.410 nan 8.150 nan 0.000 0.469 470 N N 0.627 119.351 118.700 0.040 0.000 2.727 470 N HA 0.272 5.012 4.740 -0.000 0.000 0.252 470 N C -1.235 174.280 175.510 0.008 0.000 1.283 470 N CA -0.262 52.802 53.050 0.023 0.000 0.782 470 N CB 0.312 38.815 38.487 0.026 0.000 1.199 470 N HN 0.073 nan 8.380 nan 0.000 0.520 471 D N 2.504 122.907 120.400 0.005 0.000 2.860 471 D HA -0.202 4.438 4.640 -0.000 0.000 0.229 471 D C 1.042 177.311 176.300 -0.052 0.000 1.169 471 D CA 1.876 55.869 54.000 -0.011 0.000 0.737 471 D CB -1.301 39.499 40.800 0.001 0.000 1.080 471 D HN 0.949 nan 8.370 nan 0.000 0.424 472 G N -2.089 106.686 108.800 -0.042 0.000 2.162 472 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 472 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 472 G C 0.321 175.117 174.900 -0.173 0.000 0.976 472 G CA 0.287 45.339 45.100 -0.080 0.000 0.655 472 G HN 0.642 nan 8.290 nan 0.000 0.533 473 V N 2.792 122.608 119.914 -0.163 0.000 2.318 473 V HA 0.580 4.700 4.120 -0.000 0.000 0.271 473 V C 0.858 176.907 176.094 -0.074 0.000 1.030 473 V CA -0.077 62.092 62.300 -0.219 0.000 0.844 473 V CB 1.154 32.865 31.823 -0.187 0.000 1.015 473 V HN 0.519 nan 8.190 nan 0.000 0.460 474 M N 5.709 125.268 119.600 -0.069 0.000 2.185 474 M HA 0.671 5.151 4.480 -0.000 0.000 0.357 474 M C -1.124 175.195 176.300 0.032 0.000 1.260 474 M CA 0.055 55.356 55.300 0.002 0.000 1.124 474 M CB 0.632 33.236 32.600 0.006 0.000 1.600 474 M HN 0.315 nan 8.290 nan 0.000 0.467 475 L N 1.581 122.836 121.223 0.054 0.000 2.352 475 L HA 0.525 4.865 4.340 -0.000 0.000 0.269 475 L C 0.015 176.931 176.870 0.076 0.000 1.034 475 L CA -0.879 54.004 54.840 0.072 0.000 0.806 475 L CB 1.505 43.610 42.059 0.077 0.000 1.244 475 L HN 0.689 nan 8.230 nan 0.000 0.447 476 E N 2.504 122.758 120.200 0.091 0.000 2.290 476 E HA 0.228 4.578 4.350 -0.000 0.000 0.277 476 E C -2.446 174.239 176.600 0.141 0.000 1.035 476 E CA -1.679 54.786 56.400 0.109 0.000 0.873 476 E CB 0.935 30.707 29.700 0.120 0.000 1.029 476 E HN 0.134 nan 8.360 nan 0.000 0.419 477 P HA 0.082 nan 4.420 nan 0.000 0.271 477 P C -1.378 176.163 177.300 0.401 0.000 1.220 477 P CA 0.166 63.388 63.100 0.204 0.000 0.768 477 P CB 0.401 32.130 31.700 0.048 0.000 0.848 478 K N 2.193 122.809 120.400 0.361 0.000 2.426 478 K HA 0.570 4.890 4.320 -0.000 0.000 0.251 478 K C -0.446 176.390 176.600 0.392 0.000 0.941 478 K CA -0.687 55.794 56.287 0.323 0.000 0.808 478 K CB 1.501 34.062 32.500 0.102 0.000 1.265 478 K HN 0.311 nan 8.250 nan 0.000 0.432 479 F N -0.740 119.357 119.950 0.246 0.000 2.767 479 F HA 0.479 5.006 4.527 -0.000 0.000 0.323 479 F C -0.209 175.685 175.800 0.155 0.000 1.091 479 F CA -0.744 57.412 58.000 0.259 0.000 1.192 479 F CB 0.379 39.582 39.000 0.338 0.000 1.056 479 F HN 0.185 nan 8.300 nan 0.000 0.571 480 I N 1.254 121.567 120.570 -0.429 0.000 2.339 480 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 480 I C 1.058 177.132 176.117 -0.071 0.000 0.994 480 I CA -0.482 60.675 61.300 -0.238 0.000 1.191 480 I CB 1.867 39.633 38.000 -0.390 0.000 1.343 480 I HN 0.190 nan 8.210 nan 0.000 0.458 481 S N 4.968 120.699 115.700 0.052 0.000 2.427 481 S HA 0.411 4.881 4.470 -0.000 0.000 0.224 481 S C 0.504 175.130 174.600 0.043 0.000 1.047 481 S CA 0.569 58.810 58.200 0.069 0.000 0.953 481 S CB 0.351 63.630 63.200 0.133 0.000 0.824 481 S HN 0.774 nan 8.310 nan 0.000 0.502 482 A N 0.128 123.002 122.820 0.090 0.000 2.605 482 A HA 0.687 5.007 4.320 -0.000 0.000 0.294 482 A C -1.677 176.003 177.584 0.160 0.000 1.062 482 A CA -0.694 51.377 52.037 0.056 0.000 0.682 482 A CB 0.882 19.838 19.000 -0.073 0.000 1.278 482 A HN 0.359 nan 8.150 nan 0.000 0.410 483 I N 1.816 122.456 120.570 0.117 0.000 2.410 483 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 483 I C -1.136 175.099 176.117 0.198 0.000 1.009 483 I CA -0.505 60.895 61.300 0.166 0.000 1.111 483 I CB 1.639 39.672 38.000 0.055 0.000 1.262 483 I HN 0.723 nan 8.210 nan 0.000 0.443 484 Y N 5.979 126.378 120.300 0.164 0.000 2.342 484 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 484 Y C -0.521 175.447 175.900 0.114 0.000 1.067 484 Y CA -0.572 57.605 58.100 0.128 0.000 1.128 484 Y CB 1.210 39.792 38.460 0.203 0.000 1.200 484 Y HN 0.459 nan 8.280 nan 0.000 0.464 485 D N 8.173 128.212 120.400 -0.601 0.000 2.392 485 D HA 0.274 4.914 4.640 -0.000 0.000 0.228 485 D C -2.048 173.748 176.300 -0.839 0.000 1.074 485 D CA -2.521 51.185 54.000 -0.491 0.000 0.838 485 D CB 2.079 42.725 40.800 -0.257 0.000 1.067 485 D HN 0.387 nan 8.370 nan 0.000 0.511 486 P HA -0.039 nan 4.420 nan 0.000 0.231 486 P C 0.684 177.916 177.300 -0.114 0.000 1.168 486 P CA 0.336 63.299 63.100 -0.229 0.000 0.779 486 P CB 0.720 32.443 31.700 0.039 0.000 0.844 487 N N 1.280 119.908 118.700 -0.120 0.000 2.171 487 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 487 N C 0.985 176.460 175.510 -0.058 0.000 1.021 487 N CA 1.605 54.617 53.050 -0.063 0.000 0.854 487 N CB -0.370 38.086 38.487 -0.050 0.000 0.994 487 N HN 0.369 nan 8.380 nan 0.000 0.426 488 D N -0.555 119.789 120.400 -0.093 0.000 2.535 488 D HA 0.051 4.691 4.640 -0.000 0.000 0.229 488 D C -0.420 175.844 176.300 -0.060 0.000 1.238 488 D CA -0.121 53.843 54.000 -0.059 0.000 0.824 488 D CB -0.070 40.703 40.800 -0.045 0.000 1.045 488 D HN -0.200 nan 8.370 nan 0.000 0.500 489 Q N 0.348 120.084 119.800 -0.107 0.000 2.434 489 Q HA -0.171 4.169 4.340 -0.000 0.000 0.299 489 Q C -0.202 175.816 176.000 0.029 0.000 1.286 489 Q CA 1.439 57.230 55.803 -0.020 0.000 0.872 489 Q CB -2.528 26.286 28.738 0.127 0.000 1.193 489 Q HN 0.683 nan 8.270 nan 0.000 0.466 490 T N -3.997 110.486 114.554 -0.118 0.000 2.927 490 T HA 0.944 5.293 4.350 -0.000 0.000 0.286 490 T C -0.153 174.544 174.700 -0.005 0.000 1.040 490 T CA -0.486 61.604 62.100 -0.017 0.000 1.010 490 T CB 2.565 71.415 68.868 -0.029 0.000 1.177 490 T HN 0.551 nan 8.240 nan 0.000 0.546 491 A N 0.573 123.429 122.820 0.059 0.000 2.593 491 A HA 0.847 5.167 4.320 -0.000 0.000 0.290 491 A C -1.089 176.513 177.584 0.031 0.000 1.126 491 A CA -1.193 50.893 52.037 0.080 0.000 0.695 491 A CB 1.471 20.556 19.000 0.141 0.000 1.290 491 A HN 0.815 nan 8.150 nan 0.000 0.414 492 R N 0.776 121.289 120.500 0.021 0.000 2.451 492 R HA 0.433 4.773 4.340 -0.000 0.000 0.307 492 R C -1.224 175.068 176.300 -0.012 0.000 0.965 492 R CA -0.470 55.627 56.100 -0.004 0.000 0.865 492 R CB 2.113 32.399 30.300 -0.023 0.000 1.174 492 R HN 0.652 nan 8.270 nan 0.000 0.455 493 K N 1.118 121.506 120.400 -0.019 0.000 2.182 493 K HA 0.281 4.601 4.320 -0.000 0.000 0.262 493 K C -0.204 176.383 176.600 -0.022 0.000 0.957 493 K CA -0.508 55.764 56.287 -0.025 0.000 0.842 493 K CB 2.253 34.734 32.500 -0.032 0.000 1.099 493 K HN 0.302 nan 8.250 nan 0.000 0.438 494 S N 2.121 117.809 115.700 -0.020 0.000 2.592 494 S HA 0.154 4.624 4.470 -0.000 0.000 0.271 494 S C -0.649 173.949 174.600 -0.003 0.000 1.326 494 S CA -0.429 57.760 58.200 -0.018 0.000 1.024 494 S CB 0.525 63.712 63.200 -0.021 0.000 0.921 494 S HN 0.374 nan 8.310 nan 0.000 0.527 495 Q N 1.908 121.709 119.800 0.001 0.000 2.389 495 Q HA 0.294 4.634 4.340 -0.000 0.000 0.277 495 Q C -0.987 175.027 176.000 0.023 0.000 1.082 495 Q CA -0.861 54.949 55.803 0.012 0.000 0.810 495 Q CB 1.772 30.516 28.738 0.010 0.000 1.374 495 Q HN 0.884 nan 8.270 nan 0.000 0.422 496 K N 0.039 120.460 120.400 0.034 0.000 2.524 496 K HA 0.056 4.376 4.320 -0.000 0.000 0.279 496 K C -0.165 176.469 176.600 0.056 0.000 0.993 496 K CA 0.259 56.575 56.287 0.049 0.000 1.030 496 K CB 0.754 33.286 32.500 0.055 0.000 0.891 496 K HN 0.495 nan 8.250 nan 0.000 0.488 497 E N 4.506 124.746 120.200 0.066 0.000 2.092 497 E HA 0.176 4.526 4.350 -0.000 0.000 0.271 497 E C -0.872 175.786 176.600 0.097 0.000 0.919 497 E CA -0.693 55.751 56.400 0.074 0.000 0.760 497 E CB 0.729 30.468 29.700 0.065 0.000 1.106 497 E HN 0.576 nan 8.360 nan 0.000 0.408 498 I N 5.315 125.959 120.570 0.122 0.000 2.416 498 I HA 0.033 4.203 4.170 -0.000 0.000 0.288 498 I C 0.989 177.208 176.117 0.171 0.000 1.051 498 I CA -0.290 61.107 61.300 0.161 0.000 1.375 498 I CB 1.248 39.395 38.000 0.244 0.000 1.407 498 I HN 0.519 nan 8.210 nan 0.000 0.516 499 V N 2.449 122.444 119.914 0.135 0.000 3.380 499 V HA 0.703 4.823 4.120 -0.000 0.000 0.307 499 V C 0.494 176.649 176.094 0.101 0.000 1.434 499 V CA 0.141 62.518 62.300 0.128 0.000 1.075 499 V CB -0.309 31.567 31.823 0.088 0.000 0.954 499 V HN 0.950 nan 8.190 nan 0.000 0.444 500 G N 0.469 109.319 108.800 0.083 0.000 2.339 500 G HA2 0.192 4.152 3.960 -0.000 0.000 0.302 500 G HA3 0.192 4.152 3.960 -0.000 0.000 0.302 500 G C -1.621 173.178 174.900 -0.167 0.000 1.425 500 G CA -0.267 44.828 45.100 -0.009 0.000 0.899 500 G HN 0.245 nan 8.290 nan 0.000 0.619 501 N N 1.244 119.791 118.700 -0.255 0.000 2.791 501 N HA 0.323 5.063 4.740 -0.000 0.000 0.265 501 N C -1.468 173.853 175.510 -0.315 0.000 1.580 501 N CA -1.645 51.156 53.050 -0.416 0.000 0.809 501 N CB 1.864 39.979 38.487 -0.619 0.000 1.178 501 N HN 0.258 nan 8.380 nan 0.000 0.499 502 P HA -0.066 nan 4.420 nan 0.000 0.216 502 P C 0.668 177.792 177.300 -0.293 0.000 1.153 502 P CA 1.062 63.856 63.100 -0.509 0.000 0.848 502 P CB 0.345 31.344 31.700 -1.167 0.000 0.787 503 V N -3.453 116.325 119.914 -0.226 0.000 3.155 503 V HA 0.685 4.805 4.120 -0.000 0.000 0.313 503 V C 0.156 176.211 176.094 -0.066 0.000 1.162 503 V CA -1.027 61.243 62.300 -0.049 0.000 1.048 503 V CB 1.251 33.083 31.823 0.015 0.000 1.092 503 V HN 0.168 nan 8.190 nan 0.000 0.447 504 S N 0.033 115.720 115.700 -0.022 0.000 2.645 504 S HA 0.342 4.812 4.470 -0.000 0.000 0.266 504 S C 0.916 175.500 174.600 -0.026 0.000 1.258 504 S CA 0.225 58.408 58.200 -0.029 0.000 0.990 504 S CB 1.152 64.350 63.200 -0.003 0.000 0.967 504 S HN 1.058 nan 8.310 nan 0.000 0.556 505 K N 0.289 120.676 120.400 -0.021 0.000 2.057 505 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 505 K C 0.997 177.597 176.600 -0.001 0.000 1.049 505 K CA 1.851 58.132 56.287 -0.010 0.000 0.931 505 K CB -0.453 32.048 32.500 0.001 0.000 0.714 505 K HN 0.648 nan 8.250 nan 0.000 0.440 506 D N 0.434 120.836 120.400 0.003 0.000 2.144 506 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 506 D C 1.780 178.079 176.300 -0.001 0.000 0.984 506 D CA 1.329 55.333 54.000 0.007 0.000 0.834 506 D CB -0.167 40.641 40.800 0.013 0.000 0.955 506 D HN 0.385 nan 8.370 nan 0.000 0.465 507 A N 0.951 123.766 122.820 -0.008 0.000 1.930 507 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 507 A C 2.297 179.860 177.584 -0.035 0.000 1.175 507 A CA 1.963 53.983 52.037 -0.028 0.000 0.627 507 A CB -0.570 18.416 19.000 -0.023 0.000 0.815 507 A HN 0.227 nan 8.150 nan 0.000 0.443 508 A N -0.693 122.121 122.820 -0.009 0.000 1.873 508 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 508 A C 2.459 180.041 177.584 -0.004 0.000 1.186 508 A CA 2.036 54.077 52.037 0.006 0.000 0.616 508 A CB -0.897 18.114 19.000 0.017 0.000 0.823 508 A HN 0.425 nan 8.150 nan 0.000 0.442 509 S N -0.419 115.280 115.700 -0.003 0.000 2.368 509 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 509 S C 1.834 176.430 174.600 -0.007 0.000 1.030 509 S CA 1.055 59.256 58.200 0.002 0.000 0.999 509 S CB -0.293 62.912 63.200 0.009 0.000 0.844 509 S HN 0.433 nan 8.310 nan 0.000 0.459 510 L N 1.582 122.792 121.223 -0.022 0.000 2.141 510 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 510 L C 2.205 179.013 176.870 -0.104 0.000 1.094 510 L CA 1.665 56.485 54.840 -0.033 0.000 0.763 510 L CB -1.721 40.326 42.059 -0.020 0.000 0.908 510 L HN 0.342 nan 8.230 nan 0.000 0.437 511 T N -0.631 113.836 114.554 -0.145 0.000 2.737 511 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 511 T C 1.963 176.600 174.700 -0.104 0.000 1.038 511 T CA 0.998 62.961 62.100 -0.227 0.000 1.144 511 T CB -0.098 68.664 68.868 -0.176 0.000 0.866 511 T HN 0.314 nan 8.240 nan 0.000 0.434 512 R N 0.607 121.092 120.500 -0.025 0.000 2.105 512 R HA -0.073 4.267 4.340 -0.000 0.000 0.239 512 R C 2.662 178.986 176.300 0.041 0.000 1.135 512 R CA 1.559 57.674 56.100 0.024 0.000 0.967 512 R CB -0.642 29.674 30.300 0.026 0.000 0.861 512 R HN 0.342 nan 8.270 nan 0.000 0.442 513 T N 0.505 115.074 114.554 0.026 0.000 2.777 513 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 513 T C 1.397 176.142 174.700 0.076 0.000 1.040 513 T CA 1.445 63.574 62.100 0.048 0.000 1.141 513 T CB -0.241 68.652 68.868 0.041 0.000 0.868 513 T HN 0.352 nan 8.240 nan 0.000 0.444 514 N N 0.311 119.040 118.700 0.048 0.000 2.331 514 N HA 0.139 4.879 4.740 -0.000 0.000 0.180 514 N C 1.786 177.468 175.510 0.288 0.000 1.019 514 N CA 0.634 53.749 53.050 0.108 0.000 0.881 514 N CB -0.118 38.299 38.487 -0.117 0.000 0.972 514 N HN 0.308 nan 8.380 nan 0.000 0.435 515 M N -0.393 119.357 119.600 0.250 0.000 2.419 515 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 515 M C 1.432 177.849 176.300 0.195 0.000 1.082 515 M CA 0.722 56.215 55.300 0.323 0.000 1.119 515 M CB 0.234 32.972 32.600 0.230 0.000 1.398 515 M HN 0.045 nan 8.290 nan 0.000 0.453 516 V N 0.730 120.733 119.914 0.148 0.000 2.515 516 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 516 V C 2.146 178.320 176.094 0.133 0.000 1.058 516 V CA 1.301 63.671 62.300 0.117 0.000 1.064 516 V CB -0.682 31.197 31.823 0.094 0.000 0.675 516 V HN 0.483 nan 8.190 nan 0.000 0.461 517 L N -0.285 121.035 121.223 0.162 0.000 2.362 517 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 517 L C 2.312 179.285 176.870 0.171 0.000 1.134 517 L CA 0.586 55.527 54.840 0.168 0.000 0.807 517 L CB -0.704 41.472 42.059 0.195 0.000 0.927 517 L HN 0.214 nan 8.230 nan 0.000 0.447 518 V N 0.113 120.124 119.914 0.161 0.000 2.626 518 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 518 V C 2.203 178.370 176.094 0.122 0.000 1.067 518 V CA 1.919 64.283 62.300 0.107 0.000 1.081 518 V CB -0.541 31.306 31.823 0.039 0.000 0.686 518 V HN 0.599 nan 8.190 nan 0.000 0.468 519 G N -2.045 106.837 108.800 0.136 0.000 2.759 519 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.208 519 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.208 519 G C 1.471 176.520 174.900 0.249 0.000 1.076 519 G CA 0.761 45.958 45.100 0.162 0.000 0.789 519 G HN 0.371 nan 8.290 nan 0.000 0.546 520 T N 0.524 115.192 114.554 0.190 0.000 3.035 520 T HA 0.068 4.418 4.350 -0.000 0.000 0.259 520 T C 0.565 175.307 174.700 0.070 0.000 1.078 520 T CA 0.118 62.326 62.100 0.180 0.000 1.132 520 T CB -0.023 68.918 68.868 0.122 0.000 0.900 520 T HN 0.157 nan 8.240 nan 0.000 0.480 521 D N 1.697 122.104 120.400 0.013 0.000 2.358 521 D HA 0.096 4.736 4.640 -0.000 0.000 0.258 521 D C -1.951 174.049 176.300 -0.500 0.000 1.223 521 D CA -2.038 51.899 54.000 -0.106 0.000 0.886 521 D CB 1.771 42.619 40.800 0.081 0.000 1.120 521 D HN 0.083 nan 8.370 nan 0.000 0.482 522 P HA -0.037 nan 4.420 nan 0.000 0.229 522 P C 1.070 178.068 177.300 -0.505 0.000 1.160 522 P CA 0.278 62.678 63.100 -1.167 0.000 0.777 522 P CB 0.614 31.899 31.700 -0.691 0.000 0.814 523 V N -2.736 116.981 119.914 -0.328 0.000 2.690 523 V HA -0.015 4.105 4.120 -0.000 0.000 0.240 523 V C 1.585 177.438 176.094 -0.402 0.000 1.078 523 V CA 1.315 63.384 62.300 -0.384 0.000 1.102 523 V CB -0.885 30.590 31.823 -0.580 0.000 0.800 523 V HN -0.026 nan 8.190 nan 0.000 0.479 524 Y N 1.108 121.434 120.300 0.043 0.000 2.524 524 Y HA 0.498 5.048 4.550 -0.000 0.000 0.270 524 Y C 1.888 178.000 175.900 0.354 0.000 1.094 524 Y CA -0.153 58.070 58.100 0.205 0.000 1.276 524 Y CB -0.517 37.996 38.460 0.088 0.000 1.130 524 Y HN 0.238 nan 8.280 nan 0.000 0.536 525 G N 0.821 109.805 108.800 0.306 0.000 2.272 525 G HA2 0.147 4.107 3.960 -0.000 0.000 0.247 525 G HA3 0.147 4.107 3.960 -0.000 0.000 0.247 525 G C 1.046 176.089 174.900 0.239 0.000 1.272 525 G CA 0.494 45.737 45.100 0.239 0.000 0.921 525 G HN 0.397 nan 8.290 nan 0.000 0.495 526 T N 0.438 115.079 114.554 0.144 0.000 2.995 526 T HA -0.024 4.326 4.350 -0.000 0.000 0.269 526 T C 1.641 176.373 174.700 0.054 0.000 1.091 526 T CA 0.764 62.889 62.100 0.043 0.000 1.128 526 T CB -0.002 68.785 68.868 -0.136 0.000 0.891 526 T HN 0.371 nan 8.240 nan 0.000 0.492 527 M N 0.749 120.400 119.600 0.086 0.000 2.756 527 M HA 0.376 4.856 4.480 -0.000 0.000 0.320 527 M C -0.773 175.596 176.300 0.114 0.000 1.245 527 M CA -0.588 54.756 55.300 0.073 0.000 0.972 527 M CB 0.263 32.891 32.600 0.047 0.000 1.327 527 M HN 0.245 nan 8.290 nan 0.000 0.505 528 Y N 0.825 121.129 120.300 0.006 0.000 2.330 528 Y HA 0.396 4.946 4.550 -0.000 0.000 0.336 528 Y C -0.265 175.597 175.900 -0.064 0.000 1.036 528 Y CA -0.818 57.249 58.100 -0.055 0.000 1.125 528 Y CB 0.773 39.164 38.460 -0.115 0.000 1.194 528 Y HN 0.086 nan 8.280 nan 0.000 0.469 529 N N 3.888 122.240 118.700 -0.580 0.000 2.426 529 N HA 0.097 4.837 4.740 -0.000 0.000 0.257 529 N C -0.024 175.126 175.510 -0.600 0.000 1.002 529 N CA 0.033 52.851 53.050 -0.387 0.000 0.942 529 N CB 0.440 38.755 38.487 -0.288 0.000 1.112 529 N HN 0.840 nan 8.380 nan 0.000 0.499 530 H N 0.566 119.541 119.070 -0.159 0.000 2.529 530 H HA 0.026 4.582 4.556 -0.000 0.000 0.277 530 H C 1.669 176.971 175.328 -0.042 0.000 0.999 530 H CA 0.957 57.005 56.048 0.000 0.000 1.256 530 H CB 0.543 30.376 29.762 0.119 0.000 1.402 530 H HN 0.456 nan 8.280 nan 0.000 0.566 531 S N -0.879 114.828 115.700 0.013 0.000 2.425 531 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 531 S C 1.790 176.355 174.600 -0.060 0.000 1.024 531 S CA 1.342 59.535 58.200 -0.011 0.000 0.951 531 S CB 0.032 63.221 63.200 -0.018 0.000 0.796 531 S HN 0.475 nan 8.310 nan 0.000 0.498 532 T N -0.593 113.882 114.554 -0.132 0.000 3.039 532 T HA 0.373 4.723 4.350 -0.000 0.000 0.250 532 T C 1.581 176.181 174.700 -0.168 0.000 1.052 532 T CA 0.644 62.660 62.100 -0.140 0.000 1.125 532 T CB -0.180 68.595 68.868 -0.156 0.000 0.908 532 T HN 0.638 nan 8.240 nan 0.000 0.473 533 G N 1.714 110.329 108.800 -0.308 0.000 2.179 533 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 533 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 533 G C 0.061 174.790 174.900 -0.284 0.000 0.977 533 G CA 0.266 45.212 45.100 -0.258 0.000 0.641 533 G HN 0.510 nan 8.290 nan 0.000 0.533 534 K N 0.248 120.435 120.400 -0.355 0.000 2.306 534 K HA 0.568 4.888 4.320 -0.000 0.000 0.236 534 K C -2.605 173.823 176.600 -0.288 0.000 1.013 534 K CA -2.276 53.888 56.287 -0.206 0.000 0.857 534 K CB 1.799 34.227 32.500 -0.120 0.000 1.214 534 K HN -0.068 nan 8.250 nan 0.000 0.449 535 P HA 0.031 nan 4.420 nan 0.000 0.273 535 P C 0.361 177.601 177.300 -0.099 0.000 1.250 535 P CA -0.040 63.022 63.100 -0.064 0.000 0.793 535 P CB 0.492 32.200 31.700 0.013 0.000 1.011 536 T N -0.293 114.220 114.554 -0.069 0.000 2.708 536 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 536 T C 0.647 175.305 174.700 -0.069 0.000 1.037 536 T CA 1.171 63.226 62.100 -0.076 0.000 1.146 536 T CB -0.125 68.713 68.868 -0.050 0.000 0.865 536 T HN 0.107 nan 8.240 nan 0.000 0.435 537 V N 2.881 122.769 119.914 -0.043 0.000 2.347 537 V HA 0.500 4.620 4.120 -0.000 0.000 0.280 537 V C 0.030 176.104 176.094 -0.033 0.000 1.021 537 V CA -0.729 61.545 62.300 -0.044 0.000 0.847 537 V CB 1.213 33.020 31.823 -0.026 0.000 0.990 537 V HN 0.496 nan 8.190 nan 0.000 0.444 538 T N 1.883 116.410 114.554 -0.044 0.000 2.906 538 T HA 0.828 5.178 4.350 -0.000 0.000 0.295 538 T C -0.948 173.733 174.700 -0.031 0.000 1.061 538 T CA -0.809 61.273 62.100 -0.030 0.000 1.000 538 T CB 2.039 70.886 68.868 -0.035 0.000 1.103 538 T HN 0.245 nan 8.240 nan 0.000 0.486 539 V N 2.276 122.183 119.914 -0.013 0.000 2.531 539 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 539 V C -2.584 173.510 176.094 0.001 0.000 1.034 539 V CA -2.250 60.045 62.300 -0.008 0.000 0.865 539 V CB 1.694 33.525 31.823 0.013 0.000 0.995 539 V HN 0.800 nan 8.190 nan 0.000 0.424 540 P HA 0.173 nan 4.420 nan 0.000 0.258 540 P C 0.946 178.253 177.300 0.011 0.000 1.187 540 P CA 1.494 64.594 63.100 0.000 0.000 0.767 540 P CB 0.334 32.032 31.700 -0.004 0.000 0.770 541 G N 2.142 110.948 108.800 0.011 0.000 2.153 541 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 541 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 541 G C -0.059 174.855 174.900 0.024 0.000 0.994 541 G CA -0.213 44.897 45.100 0.017 0.000 0.698 541 G HN 0.572 nan 8.290 nan 0.000 0.521 542 Q N -0.532 119.284 119.800 0.026 0.000 2.397 542 Q HA 0.458 4.798 4.340 -0.000 0.000 0.275 542 Q C -0.758 175.262 176.000 0.034 0.000 1.090 542 Q CA -1.040 54.783 55.803 0.033 0.000 0.809 542 Q CB 1.269 30.034 28.738 0.043 0.000 1.362 542 Q HN 0.193 nan 8.270 nan 0.000 0.431 543 N N 0.701 119.424 118.700 0.039 0.000 2.479 543 N HA 0.325 5.065 4.740 -0.000 0.000 0.285 543 N C -1.147 174.390 175.510 0.046 0.000 1.075 543 N CA -0.097 52.979 53.050 0.043 0.000 0.967 543 N CB 1.603 40.117 38.487 0.046 0.000 1.137 543 N HN 0.199 nan 8.380 nan 0.000 0.472 544 V N 1.201 121.143 119.914 0.047 0.000 2.384 544 V HA 0.467 4.587 4.120 -0.000 0.000 0.287 544 V C 0.261 176.387 176.094 0.053 0.000 1.020 544 V CA -1.196 61.131 62.300 0.045 0.000 0.850 544 V CB 1.272 33.115 31.823 0.033 0.000 0.987 544 V HN 0.729 nan 8.190 nan 0.000 0.436 545 A N 6.942 129.792 122.820 0.050 0.000 2.396 545 A HA 0.703 5.023 4.320 -0.000 0.000 0.279 545 A C -0.400 177.211 177.584 0.046 0.000 1.165 545 A CA 0.046 52.118 52.037 0.059 0.000 0.824 545 A CB -0.201 18.828 19.000 0.049 0.000 1.100 545 A HN 0.803 nan 8.150 nan 0.000 0.516 546 L N 2.115 123.378 121.223 0.067 0.000 2.301 546 L HA 0.757 5.097 4.340 -0.000 0.000 0.264 546 L C -0.000 176.901 176.870 0.051 0.000 1.016 546 L CA -1.017 53.850 54.840 0.045 0.000 0.821 546 L CB 2.033 44.119 42.059 0.045 0.000 1.346 546 L HN 0.537 nan 8.230 nan 0.000 0.429 547 K N 1.138 121.549 120.400 0.018 0.000 2.575 547 K HA 0.246 4.566 4.320 -0.000 0.000 0.271 547 K C -1.311 175.302 176.600 0.022 0.000 1.013 547 K CA -0.191 56.090 56.287 -0.010 0.000 0.939 547 K CB 2.036 34.551 32.500 0.025 0.000 1.328 547 K HN 0.789 nan 8.250 nan 0.000 0.450 548 S N 0.770 116.467 115.700 -0.004 0.000 2.693 548 S HA 0.901 5.371 4.470 -0.000 0.000 0.276 548 S C 0.348 174.966 174.600 0.030 0.000 1.192 548 S CA -0.574 57.647 58.200 0.035 0.000 0.994 548 S CB 1.947 65.150 63.200 0.005 0.000 1.012 548 S HN 0.637 nan 8.310 nan 0.000 0.550 549 G N -0.368 108.468 108.800 0.060 0.000 2.753 549 G HA2 0.550 4.510 3.960 -0.000 0.000 0.297 549 G HA3 0.550 4.510 3.960 -0.000 0.000 0.297 549 G C -1.435 173.449 174.900 -0.026 0.000 1.430 549 G CA -0.671 44.448 45.100 0.031 0.000 1.040 549 G HN 0.706 nan 8.290 nan 0.000 0.530 550 T N 1.053 115.524 114.554 -0.139 0.000 3.008 550 T HA 0.678 5.028 4.350 -0.000 0.000 0.328 550 T C 0.254 174.775 174.700 -0.299 0.000 1.020 550 T CA 0.024 61.909 62.100 -0.359 0.000 1.043 550 T CB 1.098 69.727 68.868 -0.399 0.000 1.010 550 T HN 1.037 nan 8.240 nan 0.000 0.466 551 A N 3.015 125.683 122.820 -0.254 0.000 2.284 551 A HA 0.883 5.203 4.320 -0.000 0.000 0.317 551 A C -0.558 177.000 177.584 -0.044 0.000 1.120 551 A CA -0.764 51.212 52.037 -0.102 0.000 0.900 551 A CB 1.060 20.061 19.000 0.002 0.000 1.319 551 A HN 0.570 nan 8.150 nan 0.000 0.494 552 Q N 0.104 119.931 119.800 0.045 0.000 2.356 552 Q HA 0.474 4.814 4.340 -0.000 0.000 0.270 552 Q C -1.295 174.844 176.000 0.231 0.000 1.058 552 Q CA -0.417 55.474 55.803 0.146 0.000 0.802 552 Q CB 1.995 30.811 28.738 0.131 0.000 1.303 552 Q HN 0.630 nan 8.270 nan 0.000 0.444 553 I N 0.956 121.624 120.570 0.164 0.000 2.581 553 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 553 I C 0.991 177.175 176.117 0.113 0.000 1.047 553 I CA -0.318 61.056 61.300 0.123 0.000 1.374 553 I CB 0.631 38.659 38.000 0.046 0.000 1.423 553 I HN 0.636 nan 8.210 nan 0.000 0.549 554 A N 2.993 125.821 122.820 0.013 0.000 2.238 554 A HA 0.203 4.523 4.320 -0.000 0.000 0.276 554 A C 0.041 177.543 177.584 -0.136 0.000 1.464 554 A CA 0.175 52.116 52.037 -0.159 0.000 0.835 554 A CB -0.183 18.727 19.000 -0.150 0.000 1.277 554 A HN 0.886 nan 8.150 nan 0.000 0.534 555 D N -1.697 118.609 120.400 -0.156 0.000 10.657 555 D HA -0.099 4.541 4.640 -0.000 0.000 0.325 555 D C 0.334 176.575 176.300 -0.099 0.000 3.084 555 D CA 1.129 55.066 54.000 -0.104 0.000 2.723 555 D CB -0.381 40.383 40.800 -0.060 0.000 1.185 555 D HN 0.753 nan 8.370 nan 0.000 0.923 556 E N 1.967 122.120 120.200 -0.077 0.000 3.787 556 E HA -0.033 4.317 4.350 -0.000 0.000 0.418 556 E C 0.858 177.439 176.600 -0.032 0.000 1.529 556 E CA 0.140 56.507 56.400 -0.055 0.000 2.366 556 E CB 0.475 30.150 29.700 -0.042 0.000 1.118 556 E HN 0.495 nan 8.360 nan 0.000 0.671 557 K N -0.669 119.719 120.400 -0.020 0.000 9.671 557 K HA -0.256 4.064 4.320 -0.000 0.000 0.509 557 K C 1.370 177.969 176.600 -0.001 0.000 0.371 557 K CA 2.133 58.414 56.287 -0.010 0.000 1.956 557 K CB -2.122 30.370 32.500 -0.013 0.000 0.711 557 K HN 0.672 nan 8.250 nan 0.000 1.081 558 N N 0.365 119.066 118.700 0.002 0.000 2.092 558 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 558 N C 1.329 176.857 175.510 0.031 0.000 1.040 558 N CA 1.883 54.942 53.050 0.015 0.000 0.845 558 N CB 0.125 38.621 38.487 0.015 0.000 1.017 558 N HN 0.560 nan 8.380 nan 0.000 0.426 559 G N -1.646 107.180 108.800 0.044 0.000 5.540 559 G HA2 0.385 4.345 3.960 -0.000 0.000 0.197 559 G HA3 0.385 4.345 3.960 -0.000 0.000 0.197 559 G C 0.601 175.555 174.900 0.091 0.000 0.747 559 G CA 0.306 45.447 45.100 0.069 0.000 0.706 559 G HN 0.518 nan 8.290 nan 0.000 0.292 560 G N -0.006 108.808 108.800 0.022 0.000 2.396 560 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.242 560 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.242 560 G C 0.672 175.439 174.900 -0.222 0.000 1.069 560 G CA 0.889 45.943 45.100 -0.077 0.000 0.633 560 G HN 0.680 nan 8.290 nan 0.000 0.517 561 Y N -0.072 120.238 120.300 0.016 0.000 2.720 561 Y HA 0.590 5.140 4.550 -0.000 0.000 0.277 561 Y C 1.177 177.076 175.900 -0.002 0.000 1.144 561 Y CA -0.227 57.883 58.100 0.016 0.000 1.221 561 Y CB 0.610 39.093 38.460 0.037 0.000 1.163 561 Y HN 0.379 nan 8.280 nan 0.000 0.537 562 L N 0.673 121.931 121.223 0.059 0.000 3.823 562 L HA -0.224 4.116 4.340 -0.000 0.000 0.525 562 L C -0.772 176.099 176.870 0.001 0.000 1.247 562 L CA 0.136 54.984 54.840 0.014 0.000 0.776 562 L CB -0.982 41.070 42.059 -0.010 0.000 1.443 562 L HN -0.006 nan 8.230 nan 0.000 0.831 563 V N 1.999 121.926 119.914 0.022 0.000 2.425 563 V HA 0.544 4.664 4.120 -0.000 0.000 0.276 563 V C 1.360 177.417 176.094 -0.061 0.000 1.017 563 V CA 0.810 63.107 62.300 -0.005 0.000 1.062 563 V CB 0.241 32.091 31.823 0.045 0.000 0.997 563 V HN 0.760 nan 8.190 nan 0.000 0.476 564 G N 3.051 111.756 108.800 -0.158 0.000 2.975 564 G HA2 0.568 4.527 3.960 -0.000 0.000 0.291 564 G HA3 0.568 4.527 3.960 -0.000 0.000 0.291 564 G C -0.104 174.657 174.900 -0.231 0.000 1.334 564 G CA -0.814 44.188 45.100 -0.163 0.000 0.843 564 G HN 0.427 nan 8.290 nan 0.000 0.548 565 L N -0.073 121.052 121.223 -0.164 0.000 2.102 565 L HA 0.148 4.488 4.340 -0.000 0.000 0.202 565 L C 2.881 179.658 176.870 -0.155 0.000 1.076 565 L CA 2.312 57.090 54.840 -0.103 0.000 0.761 565 L CB -0.538 41.504 42.059 -0.028 0.000 0.921 565 L HN 0.682 nan 8.230 nan 0.000 0.444 566 T N -5.471 108.974 114.554 -0.182 0.000 3.023 566 T HA 0.082 4.432 4.350 -0.000 0.000 0.253 566 T C 0.758 175.318 174.700 -0.233 0.000 1.038 566 T CA -0.238 61.788 62.100 -0.124 0.000 0.962 566 T CB -0.292 68.532 68.868 -0.074 0.000 1.018 566 T HN 0.099 nan 8.240 nan 0.000 0.521 567 D N 2.201 122.355 120.400 -0.409 0.000 2.826 567 D HA 0.089 4.729 4.640 -0.000 0.000 0.229 567 D C -1.026 175.024 176.300 -0.416 0.000 1.091 567 D CA 0.429 54.216 54.000 -0.356 0.000 1.061 567 D CB -0.248 40.394 40.800 -0.262 0.000 1.155 567 D HN 0.480 nan 8.370 nan 0.000 0.450 568 Y N -0.440 119.777 120.300 -0.137 0.000 2.499 568 Y HA 0.439 4.989 4.550 -0.000 0.000 0.347 568 Y C 0.475 176.128 175.900 -0.413 0.000 0.987 568 Y CA -1.129 56.762 58.100 -0.349 0.000 1.044 568 Y CB 1.449 39.521 38.460 -0.648 0.000 1.245 568 Y HN -0.103 nan 8.280 nan 0.000 0.461 569 I N 3.719 124.134 120.570 -0.258 0.000 2.330 569 I HA 0.295 4.464 4.170 -0.000 0.000 0.289 569 I C -1.203 174.688 176.117 -0.377 0.000 1.001 569 I CA -0.459 60.709 61.300 -0.220 0.000 1.193 569 I CB 0.567 38.512 38.000 -0.092 0.000 1.345 569 I HN 0.379 nan 8.210 nan 0.000 0.461 570 F N 4.397 124.189 119.950 -0.263 0.000 2.391 570 F HA 0.383 4.910 4.527 -0.000 0.000 0.359 570 F C 0.702 176.360 175.800 -0.237 0.000 1.122 570 F CA -0.162 57.622 58.000 -0.361 0.000 1.120 570 F CB 1.281 39.738 39.000 -0.904 0.000 1.142 570 F HN 0.353 nan 8.300 nan 0.000 0.483 571 S N 1.813 117.555 115.700 0.070 0.000 2.704 571 S HA 0.956 5.426 4.470 -0.000 0.000 0.305 571 S C -0.677 174.029 174.600 0.177 0.000 1.107 571 S CA -0.821 57.446 58.200 0.111 0.000 0.993 571 S CB 2.012 65.340 63.200 0.212 0.000 1.110 571 S HN 0.777 nan 8.310 nan 0.000 0.534 572 A N 0.465 123.419 122.820 0.224 0.000 2.582 572 A HA 0.687 5.007 4.320 -0.000 0.000 0.297 572 A C -1.704 176.038 177.584 0.264 0.000 1.059 572 A CA -0.554 51.609 52.037 0.210 0.000 0.705 572 A CB 1.150 20.256 19.000 0.176 0.000 1.279 572 A HN 0.868 nan 8.150 nan 0.000 0.404 573 V N 2.030 122.013 119.914 0.114 0.000 2.686 573 V HA 0.850 4.970 4.120 -0.000 0.000 0.306 573 V C -0.354 175.687 176.094 -0.089 0.000 1.065 573 V CA 0.363 62.626 62.300 -0.062 0.000 0.894 573 V CB 2.116 33.593 31.823 -0.577 0.000 1.004 573 V HN 1.904 nan 8.190 nan 0.000 0.424 574 S N 6.857 122.516 115.700 -0.068 0.000 2.536 574 S HA 0.852 5.322 4.470 -0.000 0.000 0.298 574 S C -0.845 173.734 174.600 -0.035 0.000 1.083 574 S CA -0.830 57.352 58.200 -0.031 0.000 0.995 574 S CB 1.912 65.115 63.200 0.006 0.000 1.058 574 S HN 0.735 nan 8.310 nan 0.000 0.488 575 M N 3.140 122.737 119.600 -0.006 0.000 2.106 575 M HA 0.379 4.859 4.480 -0.000 0.000 0.288 575 M C -0.973 175.358 176.300 0.052 0.000 0.941 575 M CA -0.313 54.998 55.300 0.020 0.000 0.934 575 M CB 2.260 34.859 32.600 -0.001 0.000 1.551 575 M HN 0.915 nan 8.290 nan 0.000 0.437 576 S N 2.871 118.629 115.700 0.096 0.000 2.532 576 S HA 0.801 5.271 4.470 -0.000 0.000 0.299 576 S C -3.105 171.567 174.600 0.121 0.000 1.105 576 S CA -1.628 56.638 58.200 0.110 0.000 1.018 576 S CB 1.792 65.068 63.200 0.126 0.000 1.021 576 S HN 0.244 nan 8.310 nan 0.000 0.483 577 P HA 0.351 nan 4.420 nan 0.000 0.278 577 P C 0.726 178.051 177.300 0.041 0.000 1.238 577 P CA -0.475 62.658 63.100 0.056 0.000 0.794 577 P CB 0.729 32.455 31.700 0.044 0.000 0.955 578 A N 2.785 125.631 122.820 0.043 0.000 1.986 578 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 578 A C 1.727 179.330 177.584 0.032 0.000 1.171 578 A CA 1.910 53.971 52.037 0.040 0.000 0.640 578 A CB -1.022 18.006 19.000 0.047 0.000 0.811 578 A HN 0.547 nan 8.150 nan 0.000 0.451 579 E N -0.506 119.711 120.200 0.029 0.000 2.028 579 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 579 E C 0.771 177.381 176.600 0.017 0.000 0.984 579 E CA 1.283 57.697 56.400 0.023 0.000 0.800 579 E CB -0.007 29.706 29.700 0.023 0.000 0.758 579 E HN 0.544 nan 8.360 nan 0.000 0.448 580 N N 0.180 118.887 118.700 0.011 0.000 2.707 580 N HA 0.150 4.890 4.740 -0.000 0.000 0.249 580 N C -2.902 172.599 175.510 -0.014 0.000 1.299 580 N CA -2.091 50.959 53.050 0.000 0.000 0.769 580 N CB 0.803 39.289 38.487 -0.002 0.000 1.236 580 N HN -0.167 nan 8.380 nan 0.000 0.524 581 P HA 0.191 nan 4.420 nan 0.000 0.268 581 P C -0.422 176.813 177.300 -0.108 0.000 1.204 581 P CA 0.212 63.293 63.100 -0.031 0.000 0.768 581 P CB 1.564 33.266 31.700 0.002 0.000 0.842 582 D N 1.160 121.427 120.400 -0.221 0.000 2.431 582 D HA 0.115 4.755 4.640 -0.000 0.000 0.227 582 D C 0.137 175.976 176.300 -0.769 0.000 1.030 582 D CA 1.021 54.694 54.000 -0.546 0.000 0.897 582 D CB 0.173 40.475 40.800 -0.829 0.000 1.058 582 D HN 0.307 nan 8.370 nan 0.000 0.500 583 F N 0.566 120.531 119.950 0.025 0.000 2.551 583 F HA 0.505 5.032 4.527 -0.000 0.000 0.316 583 F C -0.061 175.748 175.800 0.016 0.000 1.089 583 F CA -0.914 57.100 58.000 0.024 0.000 0.915 583 F CB 2.052 41.061 39.000 0.015 0.000 1.186 583 F HN -0.360 nan 8.300 nan 0.000 0.456 584 I N 4.156 124.859 120.570 0.222 0.000 2.439 584 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 584 I C -1.510 174.685 176.117 0.131 0.000 1.021 584 I CA -0.778 60.592 61.300 0.117 0.000 1.091 584 I CB 1.933 39.988 38.000 0.092 0.000 1.242 584 I HN 0.325 nan 8.210 nan 0.000 0.439 585 L N 8.091 129.368 121.223 0.089 0.000 2.313 585 L HA 0.514 4.854 4.340 -0.000 0.000 0.283 585 L C -1.606 175.367 176.870 0.172 0.000 1.013 585 L CA -0.448 54.458 54.840 0.110 0.000 0.816 585 L CB 1.235 43.322 42.059 0.046 0.000 1.236 585 L HN 0.411 nan 8.230 nan 0.000 0.419 586 Y N 5.361 125.701 120.300 0.067 0.000 2.326 586 Y HA 0.705 5.255 4.550 -0.000 0.000 0.331 586 Y C -1.293 174.688 175.900 0.136 0.000 0.962 586 Y CA -1.203 56.956 58.100 0.099 0.000 1.167 586 Y CB 1.474 40.046 38.460 0.187 0.000 1.148 586 Y HN 0.372 nan 8.280 nan 0.000 0.463 587 V N 5.099 125.007 119.914 -0.009 0.000 2.628 587 V HA 0.713 4.833 4.120 -0.000 0.000 0.306 587 V C -0.283 175.682 176.094 -0.214 0.000 1.045 587 V CA -0.595 61.673 62.300 -0.054 0.000 0.905 587 V CB 1.930 33.867 31.823 0.189 0.000 0.997 587 V HN 0.821 nan 8.190 nan 0.000 0.436 588 T N 0.794 115.203 114.554 -0.243 0.000 2.912 588 T HA 0.745 5.095 4.350 -0.000 0.000 0.299 588 T C -0.938 173.656 174.700 -0.177 0.000 1.052 588 T CA -0.681 61.277 62.100 -0.237 0.000 0.996 588 T CB 1.748 70.394 68.868 -0.371 0.000 1.070 588 T HN 1.316 nan 8.240 nan 0.000 0.465 589 V N 1.512 121.332 119.914 -0.157 0.000 2.447 589 V HA 0.621 4.741 4.120 -0.000 0.000 0.292 589 V C -0.647 175.376 176.094 -0.119 0.000 1.021 589 V CA -0.667 61.521 62.300 -0.187 0.000 0.850 589 V CB 1.299 32.960 31.823 -0.270 0.000 1.005 589 V HN 1.188 nan 8.190 nan 0.000 0.426 590 Q N 3.912 123.651 119.800 -0.102 0.000 2.278 590 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 590 Q C -0.178 175.792 176.000 -0.050 0.000 0.928 590 Q CA -0.280 55.494 55.803 -0.050 0.000 0.932 590 Q CB 1.075 29.820 28.738 0.013 0.000 1.221 590 Q HN 0.924 nan 8.270 nan 0.000 0.434 591 Q N 2.019 121.801 119.800 -0.029 0.000 2.443 591 Q HA -0.185 4.155 4.340 -0.000 0.000 0.337 591 Q C -2.309 173.656 176.000 -0.058 0.000 1.401 591 Q CA 0.256 56.034 55.803 -0.042 0.000 0.943 591 Q CB -1.129 27.567 28.738 -0.069 0.000 1.177 591 Q HN 0.530 nan 8.270 nan 0.000 0.394 592 P HA 0.059 nan 4.420 nan 0.000 0.278 592 P C -0.057 177.191 177.300 -0.086 0.000 1.258 592 P CA -0.183 62.878 63.100 -0.064 0.000 0.811 592 P CB 0.993 32.675 31.700 -0.031 0.000 1.063 593 E N -0.496 119.571 120.200 -0.222 0.000 2.075 593 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 593 E C 0.111 176.409 176.600 -0.503 0.000 0.969 593 E CA 0.821 56.962 56.400 -0.431 0.000 0.815 593 E CB 0.036 29.332 29.700 -0.673 0.000 0.776 593 E HN 0.558 nan 8.360 nan 0.000 0.457 594 H N -0.463 118.610 119.070 0.005 0.000 2.569 594 H HA 0.164 4.720 4.556 -0.000 0.000 0.247 594 H C -1.508 173.810 175.328 -0.016 0.000 1.346 594 H CA -0.504 55.543 56.048 -0.002 0.000 1.502 594 H CB -0.392 29.357 29.762 -0.021 0.000 1.512 594 H HN 0.098 nan 8.280 nan 0.000 0.502 595 Y N 1.696 121.927 120.300 -0.116 0.000 2.352 595 Y HA 0.460 5.010 4.550 -0.000 0.000 0.326 595 Y C -0.008 175.746 175.900 -0.244 0.000 1.166 595 Y CA -0.213 57.726 58.100 -0.268 0.000 1.182 595 Y CB 1.568 39.634 38.460 -0.656 0.000 1.216 595 Y HN 0.458 nan 8.280 nan 0.000 0.474 596 S N 1.858 116.982 115.700 -0.960 0.000 2.565 596 S HA 0.440 4.910 4.470 -0.000 0.000 0.269 596 S C 0.477 174.568 174.600 -0.849 0.000 1.153 596 S CA -0.179 57.629 58.200 -0.654 0.000 0.835 596 S CB 0.948 63.961 63.200 -0.312 0.000 1.122 596 S HN 1.039 nan 8.310 nan 0.000 0.462 597 G N 1.550 110.087 108.800 -0.438 0.000 2.448 597 G HA2 0.033 3.993 3.960 -0.000 0.000 0.218 597 G HA3 0.033 3.993 3.960 -0.000 0.000 0.218 597 G C 1.147 175.907 174.900 -0.233 0.000 1.135 597 G CA 0.577 45.509 45.100 -0.280 0.000 0.784 597 G HN 0.683 nan 8.290 nan 0.000 0.543 598 I N -0.032 120.411 120.570 -0.212 0.000 2.315 598 I HA -0.167 4.002 4.170 -0.000 0.000 0.248 598 I C 2.883 178.893 176.117 -0.178 0.000 1.117 598 I CA 0.966 62.168 61.300 -0.162 0.000 1.404 598 I CB -0.074 37.852 38.000 -0.124 0.000 1.071 598 I HN 0.144 nan 8.210 nan 0.000 0.419 599 Q N 0.207 119.876 119.800 -0.219 0.000 2.119 599 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 599 Q C 2.102 177.907 176.000 -0.325 0.000 0.972 599 Q CA 1.209 56.918 55.803 -0.156 0.000 0.847 599 Q CB -0.157 28.564 28.738 -0.029 0.000 0.903 599 Q HN 0.382 nan 8.270 nan 0.000 0.433 600 L N -0.467 120.545 121.223 -0.353 0.000 2.093 600 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 600 L C 1.894 178.597 176.870 -0.279 0.000 1.085 600 L CA 2.174 56.779 54.840 -0.391 0.000 0.755 600 L CB -0.849 41.172 42.059 -0.063 0.000 0.904 600 L HN 0.206 nan 8.230 nan 0.000 0.435 601 G N -1.285 107.392 108.800 -0.204 0.000 2.421 601 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 601 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 601 G C 1.404 176.199 174.900 -0.174 0.000 1.143 601 G CA 0.568 45.572 45.100 -0.159 0.000 0.784 601 G HN 0.525 nan 8.290 nan 0.000 0.541 602 E N -0.796 119.294 120.200 -0.183 0.000 2.409 602 E HA -0.012 4.338 4.350 -0.000 0.000 0.198 602 E C 1.719 178.220 176.600 -0.164 0.000 1.024 602 E CA 0.303 56.615 56.400 -0.146 0.000 0.861 602 E CB -0.041 29.596 29.700 -0.106 0.000 0.788 602 E HN 0.553 nan 8.360 nan 0.000 0.521 603 F N 0.550 120.232 119.950 -0.447 0.000 2.298 603 F HA 0.234 4.761 4.527 -0.000 0.000 0.282 603 F C 2.088 177.672 175.800 -0.360 0.000 1.045 603 F CA 1.010 58.712 58.000 -0.497 0.000 1.280 603 F CB -0.526 37.898 39.000 -0.958 0.000 1.114 603 F HN -0.090 nan 8.300 nan 0.000 0.546 604 A N 1.018 123.510 122.820 -0.546 0.000 1.873 604 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 604 A C 1.967 179.344 177.584 -0.345 0.000 1.186 604 A CA 1.774 53.505 52.037 -0.510 0.000 0.616 604 A CB -1.055 17.819 19.000 -0.210 0.000 0.823 604 A HN 0.540 nan 8.150 nan 0.000 0.442 605 N N 0.305 118.866 118.700 -0.231 0.000 2.069 605 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 605 N C -0.809 174.627 175.510 -0.124 0.000 1.031 605 N CA 1.872 54.832 53.050 -0.150 0.000 0.852 605 N CB -1.787 36.635 38.487 -0.108 0.000 1.018 605 N HN 0.345 nan 8.380 nan 0.000 0.423 606 P HA 0.036 nan 4.420 nan 0.000 0.219 606 P C 1.555 178.933 177.300 0.130 0.000 1.150 606 P CA 0.686 63.803 63.100 0.030 0.000 0.814 606 P CB 0.111 31.851 31.700 0.066 0.000 0.787 607 I N -1.265 119.228 120.570 -0.128 0.000 2.202 607 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 607 I C 2.176 178.200 176.117 -0.155 0.000 1.091 607 I CA 1.332 62.556 61.300 -0.126 0.000 1.368 607 I CB -0.570 37.176 38.000 -0.425 0.000 1.058 607 I HN -0.116 nan 8.210 nan 0.000 0.410 608 L N 0.268 121.369 121.223 -0.204 0.000 2.201 608 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 608 L C 2.562 179.335 176.870 -0.161 0.000 1.105 608 L CA 1.132 55.843 54.840 -0.215 0.000 0.775 608 L CB -0.479 41.492 42.059 -0.147 0.000 0.913 608 L HN 0.336 nan 8.230 nan 0.000 0.440 609 E N 0.412 120.556 120.200 -0.094 0.000 2.072 609 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 609 E C 2.283 178.838 176.600 -0.076 0.000 0.985 609 E CA 0.893 57.257 56.400 -0.060 0.000 0.801 609 E CB 0.181 29.862 29.700 -0.032 0.000 0.750 609 E HN 0.172 nan 8.360 nan 0.000 0.452 610 R N 0.688 121.142 120.500 -0.077 0.000 2.073 610 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 610 R C 2.082 178.295 176.300 -0.144 0.000 1.134 610 R CA 1.810 57.843 56.100 -0.112 0.000 0.952 610 R CB -0.772 29.465 30.300 -0.105 0.000 0.850 610 R HN 0.213 nan 8.270 nan 0.000 0.433 611 A N -0.727 121.937 122.820 -0.261 0.000 1.902 611 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 611 A C 2.238 179.637 177.584 -0.309 0.000 1.181 611 A CA 1.998 53.733 52.037 -0.503 0.000 0.623 611 A CB -0.701 17.610 19.000 -1.149 0.000 0.818 611 A HN 0.420 nan 8.150 nan 0.000 0.443 612 S N -0.343 115.257 115.700 -0.166 0.000 2.406 612 S HA 0.079 4.549 4.470 -0.000 0.000 0.228 612 S C 2.228 176.877 174.600 0.083 0.000 1.020 612 S CA 0.917 59.188 58.200 0.118 0.000 0.965 612 S CB -0.316 62.939 63.200 0.092 0.000 0.798 612 S HN 0.770 nan 8.310 nan 0.000 0.488 613 A N 1.331 124.157 122.820 0.009 0.000 1.930 613 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 613 A C 2.097 179.693 177.584 0.020 0.000 1.175 613 A CA 1.158 53.198 52.037 0.004 0.000 0.627 613 A CB -0.511 18.470 19.000 -0.032 0.000 0.815 613 A HN 0.449 nan 8.150 nan 0.000 0.443 614 M N -0.961 118.653 119.600 0.022 0.000 2.132 614 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 614 M C 2.252 178.610 176.300 0.096 0.000 1.065 614 M CA 1.503 56.831 55.300 0.047 0.000 1.122 614 M CB -0.175 32.449 32.600 0.041 0.000 1.365 614 M HN 0.310 nan 8.290 nan 0.000 0.411 615 K N 0.268 120.769 120.400 0.168 0.000 2.211 615 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 615 K C 0.802 177.458 176.600 0.093 0.000 1.050 615 K CA 1.304 57.691 56.287 0.168 0.000 0.945 615 K CB -0.022 32.624 32.500 0.243 0.000 0.732 615 K HN 0.281 nan 8.250 nan 0.000 0.451 616 D N -0.646 119.802 120.400 0.080 0.000 2.323 616 D HA -0.016 4.624 4.640 -0.000 0.000 0.209 616 D C 1.340 177.661 176.300 0.035 0.000 0.973 616 D CA 0.661 54.691 54.000 0.050 0.000 0.874 616 D CB 0.450 41.275 40.800 0.042 0.000 0.930 616 D HN 0.076 nan 8.370 nan 0.000 0.521 617 S N -0.400 115.322 115.700 0.036 0.000 2.641 617 S HA 0.183 4.653 4.470 -0.000 0.000 0.239 617 S C 0.939 175.554 174.600 0.024 0.000 1.081 617 S CA -0.403 57.812 58.200 0.024 0.000 0.904 617 S CB 0.658 63.867 63.200 0.014 0.000 0.803 617 S HN 0.123 nan 8.310 nan 0.000 0.510 618 L N 3.529 124.772 121.223 0.034 0.000 2.737 618 L HA 0.041 4.381 4.340 -0.000 0.000 0.275 618 L C -0.116 176.769 176.870 0.025 0.000 1.179 618 L CA 0.196 55.055 54.840 0.032 0.000 0.970 618 L CB -0.625 41.462 42.059 0.046 0.000 1.268 618 L HN 0.227 nan 8.230 nan 0.000 0.485 619 N N 3.761 122.472 118.700 0.018 0.000 2.410 619 N HA 0.683 5.423 4.740 -0.000 0.000 0.287 619 N C -1.152 174.363 175.510 0.009 0.000 1.044 619 N CA -0.433 52.625 53.050 0.012 0.000 0.881 619 N CB 1.372 39.864 38.487 0.009 0.000 1.405 619 N HN 0.340 nan 8.380 nan 0.000 0.490 634 S N 4.794 120.502 115.700 0.013 0.000 2.537 634 S HA 0.206 4.676 4.470 -0.000 0.000 0.286 634 S C -2.225 172.401 174.600 0.042 0.000 1.299 634 S CA -0.399 57.810 58.200 0.014 0.000 1.067 634 S CB 0.447 63.650 63.200 0.004 0.000 0.864 634 S HN 0.115 nan 8.310 nan 0.000 0.494 635 P HA 0.212 nan 4.420 nan 0.000 0.280 635 P C -1.302 176.074 177.300 0.126 0.000 1.244 635 P CA -0.292 62.844 63.100 0.060 0.000 0.784 635 P CB 0.405 32.120 31.700 0.024 0.000 0.913 636 Y N 5.532 125.825 120.300 -0.013 0.000 2.322 636 Y HA 0.401 4.951 4.550 -0.000 0.000 0.324 636 Y C -2.730 173.164 175.900 -0.009 0.000 1.027 636 Y CA -2.921 55.172 58.100 -0.011 0.000 1.179 636 Y CB 1.941 40.395 38.460 -0.011 0.000 1.136 636 Y HN 0.250 nan 8.280 nan 0.000 0.449 637 P HA 0.159 nan 4.420 nan 0.000 0.284 637 P C -0.525 176.340 177.300 -0.725 0.000 1.253 637 P CA -0.473 62.350 63.100 -0.462 0.000 0.800 637 P CB 1.334 32.877 31.700 -0.261 0.000 0.961 638 M N 5.607 124.961 119.600 -0.410 0.000 2.246 638 M HA 0.259 4.739 4.480 -0.000 0.000 0.350 638 M C -2.456 173.718 176.300 -0.210 0.000 1.406 638 M CA -1.704 53.424 55.300 -0.286 0.000 1.089 638 M CB -0.430 32.093 32.600 -0.128 0.000 1.782 638 M HN 0.176 nan 8.290 nan 0.000 0.457 639 P HA 0.145 nan 4.420 nan 0.000 0.275 639 P C -1.173 176.100 177.300 -0.045 0.000 1.266 639 P CA -0.543 62.512 63.100 -0.075 0.000 0.793 639 P CB 0.582 32.277 31.700 -0.008 0.000 1.074 640 S N -0.203 115.479 115.700 -0.030 0.000 2.510 640 S HA 0.090 4.560 4.470 -0.000 0.000 0.279 640 S C 1.151 175.741 174.600 -0.016 0.000 1.284 640 S CA -0.580 57.606 58.200 -0.024 0.000 1.059 640 S CB -0.452 62.736 63.200 -0.019 0.000 0.901 640 S HN 0.284 nan 8.310 nan 0.000 0.491 641 V N 2.853 122.754 119.914 -0.022 0.000 3.461 641 V HA 0.302 4.422 4.120 -0.000 0.000 0.267 641 V C 0.642 176.722 176.094 -0.023 0.000 1.186 641 V CA 0.333 62.620 62.300 -0.022 0.000 1.154 641 V CB -0.911 30.891 31.823 -0.035 0.000 0.802 641 V HN 0.641 nan 8.190 nan 0.000 0.474 642 K N 1.315 121.702 120.400 -0.021 0.000 2.218 642 K HA 0.228 4.548 4.320 -0.000 0.000 0.276 642 K C 0.436 177.029 176.600 -0.012 0.000 1.022 642 K CA 0.334 56.609 56.287 -0.020 0.000 0.946 642 K CB 0.514 33.002 32.500 -0.020 0.000 1.000 642 K HN 0.267 nan 8.250 nan 0.000 0.468 643 D N 0.172 120.565 120.400 -0.012 0.000 3.006 643 D HA -0.259 4.381 4.640 -0.000 0.000 0.208 643 D C -0.089 176.210 176.300 -0.001 0.000 1.116 643 D CA 1.219 55.216 54.000 -0.006 0.000 0.998 643 D CB -0.582 40.215 40.800 -0.005 0.000 1.124 643 D HN 0.473 nan 8.370 nan 0.000 0.413 644 I N 0.699 121.269 120.570 0.000 0.000 2.460 644 I HA 0.163 4.333 4.170 -0.000 0.000 0.298 644 I C 0.468 176.591 176.117 0.009 0.000 0.989 644 I CA -0.327 60.978 61.300 0.008 0.000 1.173 644 I CB 1.736 39.745 38.000 0.014 0.000 1.338 644 I HN -0.108 nan 8.210 nan 0.000 0.456 645 S N 7.029 122.739 115.700 0.017 0.000 2.576 645 S HA 0.277 4.747 4.470 -0.000 0.000 0.276 645 S C -1.717 172.899 174.600 0.026 0.000 1.339 645 S CA -0.951 57.261 58.200 0.020 0.000 1.039 645 S CB 1.195 64.411 63.200 0.026 0.000 0.902 645 S HN 0.465 nan 8.310 nan 0.000 0.516 646 P HA -0.005 nan 4.420 nan 0.000 0.216 646 P C 1.459 178.787 177.300 0.046 0.000 1.150 646 P CA 1.309 64.428 63.100 0.032 0.000 0.837 646 P CB -0.206 31.513 31.700 0.032 0.000 0.786 647 G N -0.325 108.506 108.800 0.052 0.000 2.404 647 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 647 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 647 G C 1.298 176.241 174.900 0.073 0.000 1.174 647 G CA 0.731 45.872 45.100 0.068 0.000 0.780 647 G HN 0.161 nan 8.290 nan 0.000 0.537 648 D N 0.002 120.440 120.400 0.062 0.000 2.178 648 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 648 D C 2.348 178.685 176.300 0.061 0.000 0.980 648 D CA 0.518 54.556 54.000 0.063 0.000 0.842 648 D CB -0.046 40.785 40.800 0.051 0.000 0.948 648 D HN 0.263 nan 8.370 nan 0.000 0.472 649 L N 0.544 121.801 121.223 0.056 0.000 2.131 649 L HA 0.080 4.420 4.340 -0.000 0.000 0.206 649 L C 2.089 179.000 176.870 0.068 0.000 1.087 649 L CA 1.247 56.122 54.840 0.059 0.000 0.767 649 L CB -0.482 41.604 42.059 0.046 0.000 0.917 649 L HN -0.075 nan 8.230 nan 0.000 0.441 650 A N -0.865 121.994 122.820 0.065 0.000 1.930 650 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 650 A C 2.311 179.938 177.584 0.073 0.000 1.175 650 A CA 1.729 53.806 52.037 0.068 0.000 0.627 650 A CB -0.609 18.434 19.000 0.073 0.000 0.815 650 A HN 0.591 nan 8.150 nan 0.000 0.443 651 E N -0.443 119.806 120.200 0.081 0.000 2.072 651 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 651 E C 2.013 178.645 176.600 0.054 0.000 0.985 651 E CA 1.211 57.661 56.400 0.082 0.000 0.801 651 E CB -0.136 29.621 29.700 0.095 0.000 0.750 651 E HN 0.742 nan 8.360 nan 0.000 0.452 652 E N -0.221 120.015 120.200 0.059 0.000 2.106 652 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 652 E C 2.012 178.636 176.600 0.041 0.000 0.984 652 E CA 0.604 57.039 56.400 0.059 0.000 0.806 652 E CB 0.125 29.877 29.700 0.088 0.000 0.750 652 E HN 0.174 nan 8.360 nan 0.000 0.458 653 L N 0.828 122.086 121.223 0.059 0.000 2.093 653 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 653 L C 2.239 179.069 176.870 -0.066 0.000 1.085 653 L CA 1.528 56.393 54.840 0.042 0.000 0.755 653 L CB -0.397 41.715 42.059 0.088 0.000 0.904 653 L HN 0.039 nan 8.230 nan 0.000 0.435 654 R N -0.985 119.490 120.500 -0.041 0.000 2.280 654 R HA -0.016 4.324 4.340 -0.000 0.000 0.207 654 R C 2.042 178.246 176.300 -0.161 0.000 1.043 654 R CA 0.359 56.412 56.100 -0.078 0.000 1.006 654 R CB -0.093 30.198 30.300 -0.015 0.000 0.885 654 R HN 0.365 nan 8.270 nan 0.000 0.467 655 R N -0.042 120.371 120.500 -0.144 0.000 2.200 655 R HA 0.070 4.410 4.340 -0.000 0.000 0.208 655 R C 0.720 176.881 176.300 -0.231 0.000 1.033 655 R CA 0.564 56.567 56.100 -0.161 0.000 1.000 655 R CB 0.190 30.445 30.300 -0.074 0.000 0.906 655 R HN 0.176 nan 8.270 nan 0.000 0.462 656 N N 0.865 119.363 118.700 -0.336 0.000 2.401 656 N HA 0.148 4.888 4.740 -0.000 0.000 0.264 656 N C -0.289 174.981 175.510 -0.399 0.000 1.238 656 N CA 0.014 52.753 53.050 -0.518 0.000 0.889 656 N CB 0.971 38.735 38.487 -1.205 0.000 1.196 656 N HN 0.057 nan 8.380 nan 0.000 0.511 657 L N -0.356 120.718 121.223 -0.247 0.000 3.976 657 L HA -0.225 4.115 4.340 -0.000 0.000 0.418 657 L C -0.391 176.415 176.870 -0.106 0.000 1.177 657 L CA 0.310 55.056 54.840 -0.157 0.000 0.968 657 L CB -1.902 40.085 42.059 -0.121 0.000 1.933 657 L HN -0.036 nan 8.230 nan 0.000 0.976 658 V N -0.255 119.597 119.914 -0.103 0.000 2.617 658 V HA 0.243 4.363 4.120 -0.000 0.000 0.298 658 V C 0.707 176.791 176.094 -0.015 0.000 1.048 658 V CA -0.330 61.955 62.300 -0.026 0.000 0.964 658 V CB 1.775 33.624 31.823 0.042 0.000 1.004 658 V HN 0.186 nan 8.190 nan 0.000 0.466 659 Q N 5.054 124.851 119.800 -0.004 0.000 2.509 659 Q HA 0.315 4.655 4.340 -0.000 0.000 0.236 659 Q C -2.493 173.500 176.000 -0.013 0.000 1.073 659 Q CA -1.626 54.176 55.803 -0.002 0.000 0.867 659 Q CB 1.491 30.228 28.738 -0.002 0.000 1.181 659 Q HN 0.515 nan 8.270 nan 0.000 0.526 660 P HA 0.286 nan 4.420 nan 0.000 0.281 660 P C -0.603 176.684 177.300 -0.023 0.000 1.249 660 P CA -0.326 62.770 63.100 -0.007 0.000 0.810 660 P CB 1.423 33.139 31.700 0.027 0.000 1.008 661 I N 1.984 122.510 120.570 -0.072 0.000 2.448 661 I HA 0.218 4.388 4.170 -0.000 0.000 0.281 661 I C -0.184 175.923 176.117 -0.015 0.000 1.027 661 I CA -1.053 60.198 61.300 -0.081 0.000 1.111 661 I CB 2.032 39.815 38.000 -0.362 0.000 1.236 661 I HN -0.034 nan 8.210 nan 0.000 0.452 662 V N 7.161 127.110 119.914 0.059 0.000 2.406 662 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 662 V C 0.218 176.387 176.094 0.125 0.000 1.043 662 V CA -0.545 61.803 62.300 0.081 0.000 0.915 662 V CB 1.653 33.520 31.823 0.074 0.000 0.988 662 V HN 0.379 nan 8.190 nan 0.000 0.466 663 V N 5.445 125.443 119.914 0.141 0.000 2.350 663 V HA 0.852 4.972 4.120 -0.000 0.000 0.276 663 V C 0.679 176.845 176.094 0.121 0.000 1.028 663 V CA 0.628 63.035 62.300 0.178 0.000 0.860 663 V CB 0.518 32.488 31.823 0.245 0.000 0.990 663 V HN 1.296 nan 8.190 nan 0.000 0.453 664 G N 4.276 113.137 108.800 0.100 0.000 2.707 664 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 664 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 664 G C 0.340 175.271 174.900 0.052 0.000 1.315 664 G CA -0.133 45.007 45.100 0.067 0.000 0.832 664 G HN 1.115 nan 8.290 nan 0.000 0.573 665 T N -1.180 113.396 114.554 0.037 0.000 3.107 665 T HA 0.498 4.848 4.350 -0.000 0.000 0.249 665 T C 1.582 176.296 174.700 0.024 0.000 1.096 665 T CA 1.219 63.337 62.100 0.029 0.000 1.012 665 T CB 0.280 69.160 68.868 0.020 0.000 0.977 665 T HN 1.979 nan 8.240 nan 0.000 0.527 666 G N 0.601 109.414 108.800 0.022 0.000 2.559 666 G HA2 0.272 4.232 3.960 -0.000 0.000 0.235 666 G HA3 0.272 4.232 3.960 -0.000 0.000 0.235 666 G C 0.791 175.698 174.900 0.013 0.000 1.266 666 G CA 0.123 45.232 45.100 0.014 0.000 0.847 666 G HN 0.250 nan 8.290 nan 0.000 0.583 667 T N -0.043 114.515 114.554 0.007 0.000 3.081 667 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 667 T C 0.919 175.621 174.700 0.002 0.000 1.113 667 T CA 0.765 62.869 62.100 0.007 0.000 1.082 667 T CB -0.242 68.628 68.868 0.004 0.000 0.939 667 T HN 0.458 nan 8.240 nan 0.000 0.506 668 K N 0.454 120.851 120.400 -0.004 0.000 2.340 668 K HA 0.613 4.933 4.320 -0.000 0.000 0.244 668 K C -1.024 175.563 176.600 -0.021 0.000 0.973 668 K CA -0.730 55.549 56.287 -0.013 0.000 0.828 668 K CB 2.211 34.699 32.500 -0.019 0.000 1.226 668 K HN 0.078 nan 8.250 nan 0.000 0.437 669 I N 2.394 122.944 120.570 -0.032 0.000 2.312 669 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 669 I C 1.173 177.238 176.117 -0.087 0.000 1.031 669 I CA -0.143 61.126 61.300 -0.052 0.000 1.293 669 I CB 1.131 39.103 38.000 -0.047 0.000 1.403 669 I HN 0.642 nan 8.210 nan 0.000 0.484 670 K N 4.331 124.660 120.400 -0.118 0.000 2.262 670 K HA 0.117 4.437 4.320 -0.000 0.000 0.200 670 K C 0.432 176.859 176.600 -0.287 0.000 1.049 670 K CA 0.677 56.865 56.287 -0.165 0.000 0.979 670 K CB 0.431 32.844 32.500 -0.144 0.000 0.773 670 K HN 0.615 nan 8.250 nan 0.000 0.474 671 N N -0.563 117.915 118.700 -0.371 0.000 2.961 671 N HA 0.095 4.835 4.740 -0.000 0.000 0.245 671 N C -2.060 173.191 175.510 -0.431 0.000 1.404 671 N CA -0.298 52.388 53.050 -0.607 0.000 0.880 671 N CB 2.240 39.896 38.487 -1.385 0.000 1.461 671 N HN 0.090 nan 8.380 nan 0.000 0.510 672 S N -1.169 114.365 115.700 -0.277 0.000 2.536 672 S HA 0.300 4.770 4.470 -0.000 0.000 0.271 672 S C 0.828 175.592 174.600 0.274 0.000 1.134 672 S CA -0.232 57.998 58.200 0.050 0.000 0.897 672 S CB 1.278 64.487 63.200 0.015 0.000 1.094 672 S HN 0.534 nan 8.310 nan 0.000 0.473 673 S N 1.199 117.127 115.700 0.379 0.000 2.447 673 S HA 0.252 4.722 4.470 -0.000 0.000 0.233 673 S C 0.803 175.490 174.600 0.145 0.000 1.006 673 S CA 0.416 58.787 58.200 0.285 0.000 0.957 673 S CB -0.449 62.806 63.200 0.092 0.000 0.773 673 S HN 1.521 nan 8.310 nan 0.000 0.507 674 A N 0.567 123.444 122.820 0.095 0.000 2.355 674 A HA 0.768 5.088 4.320 -0.000 0.000 0.317 674 A C -0.674 176.926 177.584 0.026 0.000 1.094 674 A CA -0.728 51.336 52.037 0.044 0.000 0.764 674 A CB 1.199 20.211 19.000 0.019 0.000 1.230 674 A HN 0.243 nan 8.150 nan 0.000 0.448 675 E N 0.700 120.906 120.200 0.010 0.000 2.283 675 E HA 0.322 4.672 4.350 -0.000 0.000 0.271 675 E C 0.041 176.624 176.600 -0.029 0.000 1.031 675 E CA -0.426 55.969 56.400 -0.007 0.000 0.868 675 E CB 0.819 30.516 29.700 -0.004 0.000 1.094 675 E HN 0.695 nan 8.360 nan 0.000 0.401 676 E N 0.640 120.818 120.200 -0.037 0.000 2.652 676 E HA -0.010 4.340 4.350 -0.000 0.000 0.255 676 E C 0.579 177.143 176.600 -0.060 0.000 0.952 676 E CA 1.117 57.486 56.400 -0.053 0.000 0.947 676 E CB -0.100 29.573 29.700 -0.045 0.000 0.912 676 E HN 0.684 nan 8.360 nan 0.000 0.489 677 G N 3.679 112.426 108.800 -0.089 0.000 2.241 677 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 677 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 677 G C 0.157 175.003 174.900 -0.089 0.000 0.998 677 G CA 0.305 45.351 45.100 -0.090 0.000 0.621 677 G HN 0.533 nan 8.290 nan 0.000 0.519 678 K N 1.052 121.406 120.400 -0.076 0.000 2.401 678 K HA 0.401 4.721 4.320 -0.000 0.000 0.278 678 K C 0.390 176.943 176.600 -0.078 0.000 1.018 678 K CA -0.088 56.163 56.287 -0.059 0.000 0.981 678 K CB 0.410 32.889 32.500 -0.035 0.000 0.933 678 K HN 0.386 nan 8.250 nan 0.000 0.477 679 N N 2.373 121.042 118.700 -0.051 0.000 2.497 679 N HA 0.112 4.852 4.740 -0.000 0.000 0.268 679 N C -1.375 174.131 175.510 -0.005 0.000 1.171 679 N CA -0.212 52.816 53.050 -0.037 0.000 0.948 679 N CB 0.279 38.758 38.487 -0.014 0.000 1.069 679 N HN 0.193 nan 8.380 nan 0.000 0.460 680 L N 3.173 124.415 121.223 0.032 0.000 2.294 680 L HA 0.540 4.880 4.340 -0.000 0.000 0.283 680 L C 0.180 177.120 176.870 0.117 0.000 1.015 680 L CA -0.635 54.261 54.840 0.093 0.000 0.831 680 L CB 0.733 42.902 42.059 0.183 0.000 1.217 680 L HN 0.676 nan 8.230 nan 0.000 0.420 681 A N 5.921 128.779 122.820 0.063 0.000 2.366 681 A HA 0.618 4.938 4.320 -0.000 0.000 0.249 681 A C -2.262 175.346 177.584 0.039 0.000 1.084 681 A CA -1.038 51.026 52.037 0.045 0.000 0.794 681 A CB -0.456 18.557 19.000 0.021 0.000 1.034 681 A HN 0.558 nan 8.150 nan 0.000 0.491 682 P HA 0.074 nan 4.420 nan 0.000 0.264 682 P C -0.209 177.089 177.300 -0.003 0.000 1.193 682 P CA 0.439 63.539 63.100 -0.000 0.000 0.763 682 P CB 0.187 31.883 31.700 -0.007 0.000 0.810 683 N N -0.426 118.268 118.700 -0.011 0.000 2.800 683 N HA -0.207 4.532 4.740 -0.000 0.000 0.250 683 N C 0.105 175.612 175.510 -0.004 0.000 1.078 683 N CA 0.742 53.788 53.050 -0.008 0.000 0.804 683 N CB -1.240 37.244 38.487 -0.006 0.000 1.135 683 N HN 0.626 nan 8.380 nan 0.000 0.565 684 Q N 0.753 120.554 119.800 0.002 0.000 2.392 684 Q HA 0.115 4.455 4.340 -0.000 0.000 0.262 684 Q C -0.174 175.817 176.000 -0.016 0.000 1.003 684 Q CA 0.302 56.103 55.803 -0.003 0.000 0.888 684 Q CB 0.582 29.328 28.738 0.013 0.000 1.260 684 Q HN 0.175 nan 8.270 nan 0.000 0.435 685 Q N 1.992 121.767 119.800 -0.042 0.000 2.296 685 Q HA 0.355 4.695 4.340 -0.000 0.000 0.257 685 Q C -1.317 174.627 176.000 -0.093 0.000 0.942 685 Q CA -0.426 55.326 55.803 -0.085 0.000 0.939 685 Q CB 1.543 30.202 28.738 -0.131 0.000 1.198 685 Q HN 0.368 nan 8.270 nan 0.000 0.429 686 V N 4.891 124.756 119.914 -0.082 0.000 2.407 686 V HA 0.302 4.422 4.120 -0.000 0.000 0.291 686 V C -0.412 175.639 176.094 -0.072 0.000 1.018 686 V CA -0.745 61.526 62.300 -0.049 0.000 0.842 686 V CB 1.282 33.111 31.823 0.010 0.000 0.996 686 V HN 0.639 nan 8.190 nan 0.000 0.426 687 L N 6.032 127.214 121.223 -0.067 0.000 2.349 687 L HA 0.498 4.838 4.340 -0.000 0.000 0.275 687 L C -0.232 176.722 176.870 0.140 0.000 1.115 687 L CA 0.329 55.149 54.840 -0.033 0.000 0.820 687 L CB 0.818 42.848 42.059 -0.048 0.000 1.135 687 L HN 0.474 nan 8.230 nan 0.000 0.445 688 I N 4.252 124.882 120.570 0.100 0.000 2.448 688 I HA 0.292 4.462 4.170 -0.000 0.000 0.281 688 I C -0.635 175.537 176.117 0.091 0.000 1.027 688 I CA -0.278 61.070 61.300 0.080 0.000 1.111 688 I CB 1.378 39.405 38.000 0.044 0.000 1.236 688 I HN 0.394 nan 8.210 nan 0.000 0.452 689 L N 6.159 127.415 121.223 0.054 0.000 2.290 689 L HA 0.433 4.773 4.340 -0.000 0.000 0.284 689 L C 0.619 177.477 176.870 -0.020 0.000 1.078 689 L CA 0.010 54.876 54.840 0.044 0.000 0.815 689 L CB 1.362 43.391 42.059 -0.051 0.000 1.162 689 L HN 0.735 nan 8.230 nan 0.000 0.435 690 S N 0.946 116.656 115.700 0.017 0.000 2.713 690 S HA 0.185 4.655 4.470 -0.000 0.000 0.283 690 S C 0.638 175.233 174.600 -0.007 0.000 1.161 690 S CA -0.176 58.025 58.200 0.002 0.000 0.999 690 S CB 1.490 64.703 63.200 0.022 0.000 1.039 690 S HN 0.763 nan 8.310 nan 0.000 0.548 691 D N 0.048 120.440 120.400 -0.013 0.000 2.144 691 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 691 D C 0.699 176.998 176.300 -0.001 0.000 0.978 691 D CA 0.921 54.912 54.000 -0.015 0.000 0.833 691 D CB -0.090 40.700 40.800 -0.017 0.000 0.961 691 D HN 0.534 nan 8.370 nan 0.000 0.470 692 K N 0.488 120.893 120.400 0.008 0.000 2.296 692 K HA 0.520 4.840 4.320 -0.000 0.000 0.257 692 K C -1.286 175.329 176.600 0.025 0.000 1.088 692 K CA -0.590 55.705 56.287 0.013 0.000 0.980 692 K CB 0.793 33.299 32.500 0.010 0.000 1.430 692 K HN 0.180 nan 8.250 nan 0.000 0.441 693 A N 4.653 127.493 122.820 0.032 0.000 3.064 693 A HA 0.216 4.536 4.320 -0.000 0.000 0.339 693 A C 0.179 177.788 177.584 0.041 0.000 1.078 693 A CA -0.557 51.510 52.037 0.049 0.000 0.869 693 A CB 0.219 19.263 19.000 0.074 0.000 1.067 693 A HN 0.853 nan 8.150 nan 0.000 0.480 694 E N 0.521 120.738 120.200 0.027 0.000 2.442 694 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 694 E C -0.008 176.599 176.600 0.011 0.000 1.030 694 E CA 0.573 56.983 56.400 0.017 0.000 0.869 694 E CB 0.496 30.201 29.700 0.009 0.000 0.857 694 E HN 0.788 nan 8.360 nan 0.000 0.505 695 E N 0.484 120.692 120.200 0.014 0.000 2.263 695 E HA 0.307 4.657 4.350 -0.000 0.000 0.264 695 E C -0.920 175.682 176.600 0.002 0.000 0.923 695 E CA -0.730 55.670 56.400 0.000 0.000 0.802 695 E CB 2.753 32.446 29.700 -0.011 0.000 1.228 695 E HN -0.177 nan 8.360 nan 0.000 0.417 696 V N 3.439 123.339 119.914 -0.024 0.000 2.521 696 V HA 0.122 4.242 4.120 -0.000 0.000 0.286 696 V C -2.099 173.956 176.094 -0.064 0.000 1.034 696 V CA -1.198 61.074 62.300 -0.046 0.000 1.045 696 V CB 0.178 31.956 31.823 -0.075 0.000 0.974 696 V HN 0.542 nan 8.190 nan 0.000 0.480 697 P HA 0.139 nan 4.420 nan 0.000 0.274 697 P C -0.635 176.532 177.300 -0.222 0.000 1.246 697 P CA -0.454 62.598 63.100 -0.080 0.000 0.795 697 P CB 0.464 32.175 31.700 0.019 0.000 1.006 698 D N 1.562 121.861 120.400 -0.169 0.000 2.422 698 D HA 0.116 4.756 4.640 -0.000 0.000 0.227 698 D C 0.265 176.338 176.300 -0.380 0.000 1.190 698 D CA 0.106 53.986 54.000 -0.199 0.000 0.905 698 D CB -0.033 40.707 40.800 -0.099 0.000 1.034 698 D HN 0.222 nan 8.370 nan 0.000 0.507 699 M N 3.277 122.481 119.600 -0.661 0.000 2.608 699 M HA 0.023 4.503 4.480 -0.000 0.000 0.224 699 M C 0.899 176.818 176.300 -0.635 0.000 1.204 699 M CA -0.373 54.157 55.300 -1.283 0.000 0.984 699 M CB 0.040 31.907 32.600 -1.222 0.000 1.691 699 M HN 0.402 nan 8.290 nan 0.000 0.469 700 Y N 1.460 121.563 120.300 -0.330 0.000 2.006 700 Y HA -0.215 4.335 4.550 -0.000 0.000 0.266 700 Y C 2.288 178.211 175.900 0.039 0.000 1.133 700 Y CA 2.416 60.451 58.100 -0.108 0.000 1.098 700 Y CB -0.668 37.754 38.460 -0.063 0.000 0.969 700 Y HN 0.282 nan 8.280 nan 0.000 0.482 701 G N -1.187 107.759 108.800 0.244 0.000 2.586 701 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 701 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 701 G C -0.230 174.817 174.900 0.245 0.000 1.128 701 G CA -0.164 45.052 45.100 0.193 0.000 0.774 701 G HN 0.254 nan 8.290 nan 0.000 0.543 702 W N 2.066 123.342 121.300 -0.039 0.000 2.223 702 W HA 0.357 5.017 4.660 -0.000 0.000 0.334 702 W C 1.235 177.730 176.519 -0.040 0.000 1.334 702 W CA -0.874 56.455 57.345 -0.026 0.000 1.246 702 W CB -0.347 29.108 29.460 -0.007 0.000 1.184 702 W HN 0.001 nan 8.180 nan 0.000 0.563 703 T N -0.558 114.092 114.554 0.160 0.000 2.788 703 T HA 0.156 4.505 4.350 -0.000 0.000 0.287 703 T C 1.252 176.004 174.700 0.087 0.000 1.007 703 T CA -0.621 61.517 62.100 0.065 0.000 1.005 703 T CB 1.304 70.171 68.868 -0.002 0.000 1.012 703 T HN 0.535 nan 8.240 nan 0.000 0.530 704 K N 0.191 120.582 120.400 -0.016 0.000 2.063 704 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 704 K C 2.209 178.769 176.600 -0.067 0.000 1.048 704 K CA 1.804 58.014 56.287 -0.129 0.000 0.928 704 K CB -0.212 32.066 32.500 -0.370 0.000 0.713 704 K HN 0.849 nan 8.250 nan 0.000 0.442 705 E N -0.167 119.989 120.200 -0.073 0.000 2.077 705 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 705 E C 1.679 178.246 176.600 -0.056 0.000 0.989 705 E CA 1.893 58.252 56.400 -0.068 0.000 0.800 705 E CB -0.013 29.641 29.700 -0.077 0.000 0.746 705 E HN 0.527 nan 8.360 nan 0.000 0.452 706 T N -1.390 113.137 114.554 -0.045 0.000 2.867 706 T HA 0.042 4.392 4.350 -0.000 0.000 0.268 706 T C 1.947 176.652 174.700 0.008 0.000 1.057 706 T CA 0.927 62.956 62.100 -0.118 0.000 1.136 706 T CB -0.162 68.569 68.868 -0.228 0.000 0.874 706 T HN 0.212 nan 8.240 nan 0.000 0.466 707 A N 1.885 124.860 122.820 0.259 0.000 1.929 707 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 707 A C 2.286 179.994 177.584 0.206 0.000 1.176 707 A CA 1.244 53.529 52.037 0.414 0.000 0.628 707 A CB -0.546 18.715 19.000 0.436 0.000 0.816 707 A HN 0.606 nan 8.150 nan 0.000 0.444 708 E N -0.576 119.720 120.200 0.161 0.000 2.150 708 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 708 E C 1.871 178.401 176.600 -0.116 0.000 0.985 708 E CA 1.462 57.906 56.400 0.074 0.000 0.814 708 E CB -0.194 29.550 29.700 0.074 0.000 0.752 708 E HN 0.642 nan 8.360 nan 0.000 0.466 709 T N 1.184 115.582 114.554 -0.261 0.000 2.867 709 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 709 T C 1.776 175.884 174.700 -0.985 0.000 1.057 709 T CA 0.559 62.277 62.100 -0.637 0.000 1.136 709 T CB -0.032 68.414 68.868 -0.704 0.000 0.874 709 T HN 0.033 nan 8.240 nan 0.000 0.466 710 L N 1.019 121.943 121.223 -0.498 0.000 2.209 710 L HA 0.367 4.707 4.340 -0.000 0.000 0.207 710 L C 2.521 179.360 176.870 -0.051 0.000 1.094 710 L CA 0.960 55.673 54.840 -0.211 0.000 0.790 710 L CB -0.647 41.497 42.059 0.141 0.000 0.932 710 L HN 0.206 nan 8.230 nan 0.000 0.447 711 A N -0.782 122.002 122.820 -0.060 0.000 2.014 711 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 711 A C 2.387 179.966 177.584 -0.009 0.000 1.163 711 A CA 1.590 53.619 52.037 -0.014 0.000 0.652 711 A CB -0.447 18.549 19.000 -0.007 0.000 0.808 711 A HN 0.451 nan 8.150 nan 0.000 0.449 712 K N -1.300 119.055 120.400 -0.075 0.000 2.044 712 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 712 K C 1.782 178.468 176.600 0.144 0.000 1.049 712 K CA 1.149 57.428 56.287 -0.014 0.000 0.945 712 K CB -0.260 32.182 32.500 -0.095 0.000 0.724 712 K HN 0.555 nan 8.250 nan 0.000 0.440 713 W N 1.672 122.994 121.300 0.037 0.000 2.378 713 W HA 0.034 4.693 4.660 -0.000 0.000 0.313 713 W C 0.775 177.311 176.519 0.027 0.000 1.197 713 W CA 0.319 57.682 57.345 0.029 0.000 1.304 713 W CB -0.803 28.675 29.460 0.031 0.000 1.148 713 W HN -0.035 nan 8.180 nan 0.000 0.494 714 L N 1.783 123.170 121.223 0.273 0.000 2.275 714 L HA 0.192 4.532 4.340 -0.000 0.000 0.288 714 L C 0.347 177.280 176.870 0.105 0.000 1.046 714 L CA -0.615 54.320 54.840 0.159 0.000 0.805 714 L CB 0.461 42.605 42.059 0.142 0.000 1.193 714 L HN -0.240 nan 8.230 nan 0.000 0.426 715 N N 4.788 123.535 118.700 0.077 0.000 2.814 715 N HA 0.187 4.927 4.740 -0.000 0.000 0.304 715 N C -0.881 174.647 175.510 0.030 0.000 1.211 715 N CA 0.024 53.105 53.050 0.052 0.000 1.158 715 N CB -0.402 38.111 38.487 0.043 0.000 1.458 715 N HN 0.484 nan 8.380 nan 0.000 0.519 716 I N -1.225 119.359 120.570 0.024 0.000 2.498 716 I HA 0.467 4.637 4.170 -0.000 0.000 0.290 716 I C -0.220 175.888 176.117 -0.014 0.000 1.032 716 I CA -1.204 60.096 61.300 -0.000 0.000 1.073 716 I CB 1.917 39.913 38.000 -0.007 0.000 1.251 716 I HN 0.199 nan 8.210 nan 0.000 0.426 717 E N 5.940 126.124 120.200 -0.026 0.000 2.301 717 E HA 0.541 4.891 4.350 -0.000 0.000 0.275 717 E C -1.481 175.072 176.600 -0.079 0.000 1.030 717 E CA -0.802 55.578 56.400 -0.034 0.000 0.852 717 E CB 1.998 31.684 29.700 -0.023 0.000 1.060 717 E HN 0.502 nan 8.360 nan 0.000 0.401 718 L N 2.393 123.558 121.223 -0.097 0.000 2.313 718 L HA 0.294 4.634 4.340 -0.000 0.000 0.283 718 L C -0.468 176.266 176.870 -0.227 0.000 1.013 718 L CA -0.244 54.456 54.840 -0.234 0.000 0.816 718 L CB 1.626 43.489 42.059 -0.326 0.000 1.236 718 L HN 0.742 nan 8.230 nan 0.000 0.419 719 E N 3.616 123.646 120.200 -0.284 0.000 2.149 719 E HA 0.319 4.669 4.350 -0.000 0.000 0.255 719 E C -1.060 175.396 176.600 -0.240 0.000 0.888 719 E CA -0.546 55.759 56.400 -0.159 0.000 0.742 719 E CB 0.619 30.264 29.700 -0.092 0.000 1.164 719 E HN 0.313 nan 8.360 nan 0.000 0.422 720 F N 2.132 122.067 119.950 -0.024 0.000 2.406 720 F HA 0.213 4.740 4.527 -0.000 0.000 0.327 720 F C 0.731 176.516 175.800 -0.025 0.000 1.153 720 F CA 0.234 58.218 58.000 -0.027 0.000 1.218 720 F CB 0.911 39.896 39.000 -0.025 0.000 1.215 720 F HN 0.385 nan 8.300 nan 0.000 0.570 721 Q N 1.252 121.157 119.800 0.176 0.000 2.296 721 Q HA 0.504 4.844 4.340 -0.000 0.000 0.254 721 Q C -0.623 175.422 176.000 0.075 0.000 0.936 721 Q CA -0.284 55.570 55.803 0.085 0.000 0.834 721 Q CB 1.847 30.603 28.738 0.029 0.000 1.340 721 Q HN 1.023 nan 8.270 nan 0.000 0.428 722 G N 1.584 110.416 108.800 0.054 0.000 2.663 722 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 722 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 722 G C -0.871 174.043 174.900 0.022 0.000 1.288 722 G CA -0.397 44.722 45.100 0.032 0.000 0.836 722 G HN 0.952 nan 8.290 nan 0.000 0.584 723 S N -0.238 115.466 115.700 0.006 0.000 2.462 723 S HA 1.009 5.479 4.470 -0.000 0.000 0.294 723 S C 0.506 175.097 174.600 -0.015 0.000 1.144 723 S CA 0.606 58.800 58.200 -0.010 0.000 1.088 723 S CB 1.883 65.076 63.200 -0.012 0.000 1.009 723 S HN 2.729 nan 8.310 nan 0.000 0.484 724 G N 0.424 109.207 108.800 -0.029 0.000 2.339 724 G HA2 0.316 4.276 3.960 -0.000 0.000 0.302 724 G HA3 0.316 4.276 3.960 -0.000 0.000 0.302 724 G C 0.095 174.966 174.900 -0.047 0.000 1.425 724 G CA -0.101 44.980 45.100 -0.032 0.000 0.899 724 G HN 0.759 nan 8.290 nan 0.000 0.619 725 S N -1.433 114.241 115.700 -0.043 0.000 2.357 725 S HA 0.142 4.612 4.470 -0.000 0.000 0.221 725 S C 1.478 176.052 174.600 -0.043 0.000 1.031 725 S CA 2.384 60.556 58.200 -0.046 0.000 0.982 725 S CB -0.347 62.832 63.200 -0.034 0.000 0.853 725 S HN 1.682 nan 8.310 nan 0.000 0.458 726 T N -0.573 113.953 114.554 -0.048 0.000 2.942 726 T HA 0.700 5.050 4.350 -0.000 0.000 0.289 726 T C -0.402 174.247 174.700 -0.085 0.000 1.044 726 T CA -0.874 61.194 62.100 -0.054 0.000 1.023 726 T CB 1.471 70.288 68.868 -0.085 0.000 1.123 726 T HN -0.038 nan 8.240 nan 0.000 0.512 727 V N 2.568 122.430 119.914 -0.087 0.000 2.614 727 V HA 0.209 4.329 4.120 -0.000 0.000 0.291 727 V C 0.719 176.605 176.094 -0.348 0.000 1.049 727 V CA -0.164 62.065 62.300 -0.118 0.000 1.038 727 V CB 1.054 32.837 31.823 -0.067 0.000 0.980 727 V HN 0.931 nan 8.190 nan 0.000 0.481 728 Q N 2.576 122.241 119.800 -0.225 0.000 2.211 728 Q HA 0.369 4.708 4.340 -0.000 0.000 0.242 728 Q C 0.163 176.192 176.000 0.048 0.000 0.825 728 Q CA 0.156 55.839 55.803 -0.200 0.000 0.951 728 Q CB 1.516 30.213 28.738 -0.067 0.000 1.130 728 Q HN 0.706 nan 8.270 nan 0.000 0.496 729 K N 0.773 121.170 120.400 -0.006 0.000 2.575 729 K HA 0.313 4.633 4.320 -0.000 0.000 0.279 729 K C -1.648 174.918 176.600 -0.057 0.000 0.969 729 K CA -0.382 55.907 56.287 0.003 0.000 0.868 729 K CB 2.148 34.651 32.500 0.005 0.000 1.457 729 K HN -0.066 nan 8.250 nan 0.000 0.426 730 Q N 1.153 120.912 119.800 -0.068 0.000 2.281 730 Q HA 0.195 4.535 4.340 -0.000 0.000 0.263 730 Q C -0.588 175.359 176.000 -0.088 0.000 0.989 730 Q CA -0.752 54.987 55.803 -0.106 0.000 0.852 730 Q CB 1.806 30.455 28.738 -0.149 0.000 1.337 730 Q HN 0.637 nan 8.270 nan 0.000 0.418 731 D N 1.634 121.981 120.400 -0.089 0.000 2.144 731 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 731 D C 0.580 176.836 176.300 -0.074 0.000 0.978 731 D CA 0.659 54.615 54.000 -0.072 0.000 0.833 731 D CB -0.006 40.753 40.800 -0.068 0.000 0.961 731 D HN 0.291 nan 8.370 nan 0.000 0.470 732 V N 1.922 121.782 119.914 -0.089 0.000 2.353 732 V HA 0.144 4.264 4.120 -0.000 0.000 0.264 732 V C 0.752 176.787 176.094 -0.100 0.000 1.049 732 V CA -0.802 61.446 62.300 -0.087 0.000 0.896 732 V CB 0.218 31.988 31.823 -0.088 0.000 1.025 732 V HN 0.118 nan 8.190 nan 0.000 0.475 733 R N 4.077 124.522 120.500 -0.093 0.000 2.756 733 R HA 0.377 4.717 4.340 -0.000 0.000 0.264 733 R C 0.548 176.777 176.300 -0.118 0.000 1.026 733 R CA 0.307 56.342 56.100 -0.108 0.000 1.121 733 R CB 0.447 30.684 30.300 -0.105 0.000 0.999 733 R HN 0.804 nan 8.270 nan 0.000 0.449 734 A N 2.773 125.512 122.820 -0.137 0.000 2.406 734 A HA 0.125 4.445 4.320 -0.000 0.000 0.243 734 A C 0.152 177.662 177.584 -0.123 0.000 1.082 734 A CA 0.164 52.121 52.037 -0.134 0.000 0.786 734 A CB 0.131 19.043 19.000 -0.147 0.000 1.029 734 A HN 1.046 nan 8.150 nan 0.000 0.495 735 N N -1.476 117.165 118.700 -0.097 0.000 2.909 735 N HA -0.134 4.606 4.740 -0.000 0.000 0.242 735 N C 0.013 175.483 175.510 -0.068 0.000 0.975 735 N CA 1.667 54.668 53.050 -0.081 0.000 0.921 735 N CB -2.074 36.354 38.487 -0.100 0.000 1.112 735 N HN 0.740 nan 8.380 nan 0.000 0.581 736 T N 0.612 115.125 114.554 -0.068 0.000 2.904 736 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 736 T C 0.826 175.502 174.700 -0.039 0.000 1.018 736 T CA 0.066 62.133 62.100 -0.054 0.000 1.075 736 T CB 1.512 70.344 68.868 -0.059 0.000 0.986 736 T HN 0.369 nan 8.240 nan 0.000 0.523 737 A N 1.854 124.656 122.820 -0.030 0.000 2.492 737 A HA 0.253 4.573 4.320 -0.000 0.000 0.254 737 A C 1.297 178.871 177.584 -0.017 0.000 1.091 737 A CA -0.358 51.667 52.037 -0.019 0.000 0.768 737 A CB -0.444 18.547 19.000 -0.015 0.000 1.028 737 A HN 0.882 nan 8.150 nan 0.000 0.498 738 I N 1.869 122.434 120.570 -0.008 0.000 2.830 738 I HA -0.078 4.092 4.170 -0.000 0.000 0.263 738 I C 1.807 177.924 176.117 0.001 0.000 1.230 738 I CA 1.246 62.545 61.300 -0.002 0.000 1.480 738 I CB -0.191 37.818 38.000 0.015 0.000 1.095 738 I HN 0.758 nan 8.210 nan 0.000 0.455 739 K N 0.670 121.070 120.400 0.001 0.000 1.978 739 K HA -0.162 4.158 4.320 -0.000 0.000 0.214 739 K C 1.560 178.159 176.600 -0.002 0.000 1.049 739 K CA 2.042 58.330 56.287 0.002 0.000 0.939 739 K CB -0.492 32.008 32.500 0.000 0.000 0.721 739 K HN 0.322 nan 8.250 nan 0.000 0.441 740 D N 0.227 120.622 120.400 -0.007 0.000 2.349 740 D HA -0.020 4.620 4.640 -0.000 0.000 0.224 740 D C -0.077 176.215 176.300 -0.014 0.000 1.029 740 D CA 0.461 54.456 54.000 -0.009 0.000 0.879 740 D CB 0.191 40.984 40.800 -0.011 0.000 0.906 740 D HN 0.078 nan 8.370 nan 0.000 0.528 741 I N 0.963 121.524 120.570 -0.015 0.000 2.353 741 I HA 0.128 4.298 4.170 -0.000 0.000 0.293 741 I C 1.141 177.248 176.117 -0.018 0.000 0.992 741 I CA 0.065 61.352 61.300 -0.022 0.000 1.268 741 I CB 1.865 39.847 38.000 -0.030 0.000 1.387 741 I HN -0.236 nan 8.210 nan 0.000 0.478 742 K N 3.709 124.096 120.400 -0.023 0.000 2.521 742 K HA 0.214 4.534 4.320 -0.000 0.000 0.213 742 K C 0.118 176.699 176.600 -0.031 0.000 1.223 742 K CA 0.074 56.350 56.287 -0.019 0.000 1.013 742 K CB 1.237 33.730 32.500 -0.013 0.000 1.017 742 K HN 0.489 nan 8.250 nan 0.000 0.591 743 K N 1.483 121.857 120.400 -0.044 0.000 2.565 743 K HA 0.415 4.735 4.320 -0.000 0.000 0.249 743 K C -1.609 174.941 176.600 -0.082 0.000 0.958 743 K CA -0.452 55.798 56.287 -0.061 0.000 0.806 743 K CB 1.312 33.781 32.500 -0.051 0.000 1.194 743 K HN -0.046 nan 8.250 nan 0.000 0.434 744 I N 2.662 123.163 120.570 -0.115 0.000 2.498 744 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 744 I C -0.599 175.398 176.117 -0.199 0.000 1.032 744 I CA -0.886 60.326 61.300 -0.147 0.000 1.073 744 I CB 2.504 40.407 38.000 -0.162 0.000 1.251 744 I HN 0.493 nan 8.210 nan 0.000 0.426 745 T N 7.001 121.449 114.554 -0.177 0.000 2.756 745 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 745 T C -0.247 174.331 174.700 -0.204 0.000 0.985 745 T CA -0.390 61.595 62.100 -0.192 0.000 0.955 745 T CB 0.476 69.274 68.868 -0.117 0.000 0.930 745 T HN 0.255 nan 8.240 nan 0.000 0.451 746 L N 3.616 124.661 121.223 -0.296 0.000 2.287 746 L HA 0.438 4.778 4.340 -0.000 0.000 0.287 746 L C 0.504 177.334 176.870 -0.066 0.000 1.022 746 L CA -0.809 53.900 54.840 -0.219 0.000 0.814 746 L CB 1.290 43.157 42.059 -0.319 0.000 1.217 746 L HN 0.536 nan 8.230 nan 0.000 0.420 747 T N 4.001 118.538 114.554 -0.027 0.000 2.845 747 T HA 0.456 4.806 4.350 -0.000 0.000 0.288 747 T C 0.221 174.940 174.700 0.032 0.000 0.980 747 T CA -0.555 61.556 62.100 0.017 0.000 1.071 747 T CB 1.378 70.246 68.868 -0.000 0.000 0.941 747 T HN 0.149 nan 8.240 nan 0.000 0.487 748 L N 1.753 123.009 121.223 0.056 0.000 2.440 748 L HA 0.922 5.262 4.340 -0.000 0.000 0.262 748 L C 0.986 177.850 176.870 -0.010 0.000 1.072 748 L CA -0.135 54.721 54.840 0.026 0.000 0.798 748 L CB 0.598 42.678 42.059 0.034 0.000 1.307 748 L HN 0.949 nan 8.230 nan 0.000 0.475 749 G N -1.056 107.727 108.800 -0.028 0.000 2.325 749 G HA2 0.416 4.376 3.960 -0.000 0.000 0.297 749 G HA3 0.416 4.376 3.960 -0.000 0.000 0.297 749 G C -1.797 173.082 174.900 -0.035 0.000 1.448 749 G CA -0.540 44.545 45.100 -0.026 0.000 0.838 749 G HN 0.580 nan 8.290 nan 0.000 0.579 750 D N 0.000 120.389 120.400 -0.018 0.000 6.856 750 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 750 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 750 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 750 D HN 0.000 nan 8.370 nan 0.000 0.683