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 1dji_1_A DATA FIRST_RESID 200 DATA SEQUENCE EIETFYKMLT QRAEIDRAFE EAAGSAETLS VERLVTFLQH QQREEEAGPA DATA SEQUENCE LALSLIERYE PSETAKAQRQ MTKDGFLMYL LSADGNAFSL AHRRVYQDMD DATA SEQUENCE QPLSHYLVSS SHNTYLLEDQ LTGPSSTEAY IRALCKGCRC LELDCWDGPN DATA SEQUENCE QEPIIYHGYT FTSKILFCDV LRAIRDYAFK ASPYPVILSL ENHCSLEQQR DATA SEQUENCE VMARHLRAIL GPILLDQPLD GVTTSLPSPE QLKGKILLKG KKLXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXKLV PELSDMIIYC DATA SEQUENCE KSVHFGGFSS PGTSGQAFYE MASFSESRAL RLLQESGNGF VRHNVSCLSR DATA SEQUENCE IYPAGWRTDS SNYSPVEMWN GGCQIVALNF QTPGPEMDVY LGCFQDNGGC DATA SEQUENCE GYVLKPAFLR DPNTTFNSRA LTQGPWWRPE RLRVRIISGQ QLPKVNKNKN DATA SEQUENCE SIVDPKVIVE IHGVGRDTGS RQTAVITNNG FNPRWDMEFE FEVTVPDLAL DATA SEQUENCE VRFMVEDYDS SSKNDFIGQS TIPWNSLKQG YRHVHLLSKN GDQHPSATLF DATA SEQUENCE VKISIQD 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 200 E HA 0.000 nan 4.350 nan 0.000 0.291 200 E C 0.000 176.660 176.600 0.101 0.000 1.382 200 E CA 0.000 56.426 56.400 0.044 0.000 0.976 200 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 201 I N 2.326 122.924 120.570 0.047 0.000 2.381 201 I HA -0.310 3.860 4.170 -0.000 0.000 0.255 201 I C 1.919 178.098 176.117 0.104 0.000 1.140 201 I CA 1.711 63.046 61.300 0.059 0.000 1.404 201 I CB -0.310 37.669 38.000 -0.036 0.000 1.075 201 I HN 0.268 nan 8.210 nan 0.000 0.433 202 E N -0.119 120.139 120.200 0.096 0.000 2.099 202 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 202 E C 1.972 178.669 176.600 0.163 0.000 0.962 202 E CA 1.187 57.662 56.400 0.125 0.000 0.826 202 E CB -0.075 29.667 29.700 0.069 0.000 0.788 202 E HN 0.390 nan 8.360 nan 0.000 0.461 203 T N 0.912 115.548 114.554 0.136 0.000 3.051 203 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 203 T C 1.217 176.029 174.700 0.188 0.000 1.127 203 T CA 0.704 62.880 62.100 0.128 0.000 1.107 203 T CB -0.115 68.810 68.868 0.095 0.000 0.898 203 T HN 0.082 nan 8.240 nan 0.000 0.517 204 F N 0.338 120.327 119.950 0.065 0.000 2.298 204 F HA 0.199 4.726 4.527 -0.000 0.000 0.282 204 F C 2.048 177.914 175.800 0.109 0.000 1.045 204 F CA -0.372 57.666 58.000 0.064 0.000 1.280 204 F CB -0.629 38.401 39.000 0.050 0.000 1.114 204 F HN -0.019 nan 8.300 nan 0.000 0.546 205 Y N 1.753 122.074 120.300 0.034 0.000 2.096 205 Y HA -0.359 4.191 4.550 -0.000 0.000 0.276 205 Y C 2.583 178.416 175.900 -0.112 0.000 1.209 205 Y CA 2.561 60.626 58.100 -0.058 0.000 1.137 205 Y CB -0.689 37.791 38.460 0.033 0.000 0.956 205 Y HN 0.117 nan 8.280 nan 0.000 0.506 206 K N -0.854 119.560 120.400 0.022 0.000 2.001 206 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 206 K C 2.358 178.890 176.600 -0.112 0.000 1.048 206 K CA 1.604 57.849 56.287 -0.069 0.000 0.932 206 K CB -0.296 32.205 32.500 0.002 0.000 0.715 206 K HN 0.318 nan 8.250 nan 0.000 0.437 207 M N 0.440 119.981 119.600 -0.099 0.000 2.080 207 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 207 M C 2.002 178.213 176.300 -0.149 0.000 1.068 207 M CA 1.277 56.514 55.300 -0.106 0.000 1.109 207 M CB -0.135 32.419 32.600 -0.077 0.000 1.342 207 M HN 0.169 nan 8.290 nan 0.000 0.405 208 L N -0.461 120.586 121.223 -0.294 0.000 2.046 208 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 208 L C 1.568 178.429 176.870 -0.015 0.000 1.077 208 L CA 1.843 56.528 54.840 -0.258 0.000 0.747 208 L CB -0.708 41.001 42.059 -0.585 0.000 0.896 208 L HN 0.217 nan 8.230 nan 0.000 0.432 209 T N 0.185 114.657 114.554 -0.137 0.000 3.312 209 T HA 0.119 4.469 4.350 -0.000 0.000 0.251 209 T C 0.406 175.022 174.700 -0.140 0.000 1.012 209 T CA -0.040 61.982 62.100 -0.130 0.000 0.925 209 T CB -0.444 68.257 68.868 -0.279 0.000 1.049 209 T HN 0.353 nan 8.240 nan 0.000 0.583 210 Q N 1.720 121.454 119.800 -0.109 0.000 2.312 210 Q HA 0.429 4.769 4.340 -0.000 0.000 0.263 210 Q C -0.928 175.003 176.000 -0.115 0.000 0.995 210 Q CA -0.858 54.879 55.803 -0.109 0.000 0.853 210 Q CB 1.104 29.791 28.738 -0.085 0.000 1.300 210 Q HN 0.267 nan 8.270 nan 0.000 0.448 211 R N 2.740 123.163 120.500 -0.128 0.000 2.407 211 R HA 0.346 4.686 4.340 -0.000 0.000 0.298 211 R C 0.329 176.565 176.300 -0.107 0.000 1.166 211 R CA -0.083 55.932 56.100 -0.141 0.000 1.006 211 R CB 1.345 31.521 30.300 -0.208 0.000 1.145 211 R HN 0.804 nan 8.270 nan 0.000 0.538 212 A N 3.095 125.873 122.820 -0.070 0.000 1.892 212 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 212 A C 2.025 179.598 177.584 -0.018 0.000 1.188 212 A CA 1.925 53.940 52.037 -0.036 0.000 0.631 212 A CB -0.221 18.767 19.000 -0.020 0.000 0.822 212 A HN 0.812 nan 8.150 nan 0.000 0.447 213 E N 0.117 120.310 120.200 -0.012 0.000 2.160 213 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 213 E C 1.852 178.451 176.600 -0.002 0.000 0.991 213 E CA 1.509 57.941 56.400 0.054 0.000 0.810 213 E CB -0.535 29.262 29.700 0.162 0.000 0.742 213 E HN 0.509 nan 8.360 nan 0.000 0.466 214 I N 2.467 122.958 120.570 -0.131 0.000 2.202 214 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 214 I C 1.922 178.063 176.117 0.041 0.000 1.091 214 I CA 1.251 62.482 61.300 -0.115 0.000 1.368 214 I CB -1.231 36.649 38.000 -0.200 0.000 1.058 214 I HN 0.042 nan 8.210 nan 0.000 0.410 215 D N 0.796 121.192 120.400 -0.006 0.000 2.106 215 D HA -0.214 4.426 4.640 -0.000 0.000 0.191 215 D C 2.336 178.669 176.300 0.055 0.000 0.997 215 D CA 1.317 55.327 54.000 0.016 0.000 0.834 215 D CB -0.306 40.486 40.800 -0.012 0.000 0.956 215 D HN 0.240 nan 8.370 nan 0.000 0.448 216 R N 0.334 120.857 120.500 0.039 0.000 2.094 216 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 216 R C 2.327 178.650 176.300 0.038 0.000 1.137 216 R CA 1.547 57.674 56.100 0.045 0.000 0.943 216 R CB -0.374 29.962 30.300 0.059 0.000 0.850 216 R HN 0.151 nan 8.270 nan 0.000 0.433 217 A N 0.333 123.170 122.820 0.028 0.000 1.908 217 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 217 A C 1.990 179.520 177.584 -0.090 0.000 1.181 217 A CA 1.422 53.449 52.037 -0.017 0.000 0.627 217 A CB -0.713 18.195 19.000 -0.153 0.000 0.818 217 A HN 0.433 nan 8.150 nan 0.000 0.445 218 F N 0.768 120.512 119.950 -0.344 0.000 2.146 218 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 218 F C 2.182 177.724 175.800 -0.429 0.000 1.096 218 F CA 2.031 59.552 58.000 -0.798 0.000 1.275 218 F CB -0.320 38.312 39.000 -0.613 0.000 1.008 218 F HN 0.372 nan 8.300 nan 0.000 0.480 219 E N 0.003 120.144 120.200 -0.097 0.000 2.033 219 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 219 E C 2.116 178.616 176.600 -0.167 0.000 1.011 219 E CA 1.630 57.966 56.400 -0.107 0.000 0.815 219 E CB -0.276 29.422 29.700 -0.003 0.000 0.755 219 E HN 0.373 nan 8.360 nan 0.000 0.451 220 E N 0.473 120.624 120.200 -0.082 0.000 2.070 220 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 220 E C 2.037 178.600 176.600 -0.061 0.000 1.004 220 E CA 1.342 57.733 56.400 -0.014 0.000 0.805 220 E CB -0.527 29.235 29.700 0.104 0.000 0.744 220 E HN 0.306 nan 8.360 nan 0.000 0.451 221 A N 1.164 123.887 122.820 -0.161 0.000 1.877 221 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 221 A C 2.344 179.710 177.584 -0.364 0.000 1.186 221 A CA 2.387 54.293 52.037 -0.217 0.000 0.620 221 A CB -0.491 18.209 19.000 -0.501 0.000 0.822 221 A HN 0.285 nan 8.150 nan 0.000 0.443 222 A N -2.072 120.375 122.820 -0.622 0.000 2.044 222 A HA 0.455 4.775 4.320 -0.000 0.000 0.213 222 A C 1.889 179.293 177.584 -0.299 0.000 1.169 222 A CA 1.388 53.078 52.037 -0.579 0.000 0.724 222 A CB -0.983 17.386 19.000 -1.052 0.000 0.840 222 A HN 2.020 nan 8.150 nan 0.000 0.463 223 G N -0.193 108.469 108.800 -0.231 0.000 2.527 223 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.268 223 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.268 223 G C 1.449 176.296 174.900 -0.089 0.000 1.175 223 G CA 1.538 46.566 45.100 -0.120 0.000 0.962 223 G HN 1.549 nan 8.290 nan 0.000 0.560 224 S N 1.010 116.675 115.700 -0.058 0.000 2.353 224 S HA 0.238 4.708 4.470 -0.000 0.000 0.222 224 S C 1.923 176.508 174.600 -0.027 0.000 1.035 224 S CA 2.101 60.282 58.200 -0.032 0.000 1.025 224 S CB -0.973 62.212 63.200 -0.025 0.000 0.902 224 S HN 2.453 nan 8.310 nan 0.000 0.440 225 A N 1.425 124.218 122.820 -0.044 0.000 2.583 225 A HA 0.103 4.423 4.320 -0.000 0.000 0.231 225 A C 1.001 178.594 177.584 0.015 0.000 1.065 225 A CA 0.394 52.414 52.037 -0.027 0.000 0.760 225 A CB -0.158 18.811 19.000 -0.051 0.000 1.001 225 A HN 0.651 nan 8.150 nan 0.000 0.509 226 E N -0.428 119.805 120.200 0.055 0.000 2.479 226 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 226 E C -0.175 176.554 176.600 0.216 0.000 1.049 226 E CA 0.412 56.886 56.400 0.125 0.000 0.870 226 E CB 0.297 30.035 29.700 0.063 0.000 0.944 226 E HN 0.714 nan 8.360 nan 0.000 0.492 227 T N -0.306 114.332 114.554 0.140 0.000 2.883 227 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 227 T C -1.032 173.675 174.700 0.012 0.000 1.117 227 T CA -0.593 61.610 62.100 0.171 0.000 1.006 227 T CB 1.517 70.438 68.868 0.089 0.000 1.191 227 T HN -0.041 nan 8.240 nan 0.000 0.508 228 L N 2.760 123.995 121.223 0.019 0.000 2.287 228 L HA 0.487 4.827 4.340 -0.000 0.000 0.287 228 L C 0.566 177.417 176.870 -0.031 0.000 1.022 228 L CA -0.659 54.110 54.840 -0.118 0.000 0.814 228 L CB 1.534 43.493 42.059 -0.168 0.000 1.217 228 L HN 0.768 nan 8.230 nan 0.000 0.420 229 S N 2.209 117.882 115.700 -0.045 0.000 2.584 229 S HA 0.180 4.650 4.470 -0.000 0.000 0.273 229 S C 1.244 175.839 174.600 -0.008 0.000 1.311 229 S CA -0.886 57.304 58.200 -0.017 0.000 1.034 229 S CB 1.841 65.028 63.200 -0.021 0.000 0.939 229 S HN 0.348 nan 8.310 nan 0.000 0.513 230 V N 2.123 122.040 119.914 0.005 0.000 2.313 230 V HA -0.255 3.865 4.120 -0.000 0.000 0.253 230 V C 2.819 178.921 176.094 0.013 0.000 1.070 230 V CA 2.588 64.896 62.300 0.012 0.000 1.057 230 V CB -1.132 30.698 31.823 0.011 0.000 0.653 230 V HN 1.094 nan 8.190 nan 0.000 0.450 231 E N -0.020 120.183 120.200 0.005 0.000 2.051 231 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 231 E C 2.430 179.037 176.600 0.012 0.000 0.991 231 E CA 1.338 57.742 56.400 0.007 0.000 0.799 231 E CB -0.118 29.581 29.700 -0.002 0.000 0.748 231 E HN 0.537 nan 8.360 nan 0.000 0.449 232 R N 0.117 120.614 120.500 -0.005 0.000 2.115 232 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 232 R C 2.532 178.855 176.300 0.039 0.000 1.111 232 R CA 0.736 56.831 56.100 -0.009 0.000 0.976 232 R CB -0.447 29.811 30.300 -0.071 0.000 0.870 232 R HN 0.249 nan 8.270 nan 0.000 0.445 233 L N 0.934 122.179 121.223 0.037 0.000 1.994 233 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 233 L C 2.203 179.169 176.870 0.160 0.000 1.071 233 L CA 1.564 56.463 54.840 0.098 0.000 0.745 233 L CB -0.693 41.401 42.059 0.057 0.000 0.892 233 L HN -0.146 nan 8.230 nan 0.000 0.431 234 V N -0.323 119.645 119.914 0.090 0.000 2.380 234 V HA -0.366 3.754 4.120 -0.000 0.000 0.251 234 V C 2.476 178.628 176.094 0.096 0.000 1.063 234 V CA 2.317 64.663 62.300 0.077 0.000 1.055 234 V CB -1.042 30.807 31.823 0.043 0.000 0.657 234 V HN 0.603 nan 8.190 nan 0.000 0.455 235 T N -0.329 114.287 114.554 0.103 0.000 2.867 235 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 235 T C 1.614 176.428 174.700 0.191 0.000 1.057 235 T CA 1.719 63.886 62.100 0.112 0.000 1.136 235 T CB -0.352 68.561 68.868 0.075 0.000 0.874 235 T HN 0.490 nan 8.240 nan 0.000 0.466 236 F N 1.977 121.978 119.950 0.086 0.000 2.084 236 F HA 0.030 4.557 4.527 -0.000 0.000 0.296 236 F C 1.908 177.793 175.800 0.141 0.000 1.111 236 F CA 0.995 59.082 58.000 0.145 0.000 1.224 236 F CB -0.595 38.504 39.000 0.165 0.000 0.991 236 F HN 0.011 nan 8.300 nan 0.000 0.471 237 L N -0.070 121.229 121.223 0.127 0.000 2.081 237 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 237 L C 2.437 179.274 176.870 -0.056 0.000 1.080 237 L CA 1.641 56.485 54.840 0.006 0.000 0.754 237 L CB -0.763 41.334 42.059 0.065 0.000 0.893 237 L HN 0.352 nan 8.230 nan 0.000 0.433 238 Q N -1.739 118.058 119.800 -0.005 0.000 2.159 238 Q HA -0.129 4.211 4.340 -0.000 0.000 0.194 238 Q C 2.156 178.156 176.000 -0.001 0.000 0.968 238 Q CA 0.698 56.500 55.803 -0.003 0.000 0.837 238 Q CB -0.261 28.495 28.738 0.031 0.000 0.920 238 Q HN 0.576 nan 8.270 nan 0.000 0.485 239 H N 0.819 119.850 119.070 -0.064 0.000 2.319 239 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 239 H C 1.851 177.104 175.328 -0.124 0.000 1.092 239 H CA 1.549 57.558 56.048 -0.064 0.000 1.302 239 H CB 0.603 30.358 29.762 -0.013 0.000 1.373 239 H HN 0.229 nan 8.280 nan 0.000 0.497 240 Q N -0.387 119.212 119.800 -0.336 0.000 2.274 240 Q HA -0.025 4.315 4.340 -0.000 0.000 0.198 240 Q C 2.208 177.932 176.000 -0.459 0.000 0.955 240 Q CA 0.299 55.804 55.803 -0.496 0.000 0.859 240 Q CB 0.203 28.638 28.738 -0.505 0.000 0.956 240 Q HN 0.528 nan 8.270 nan 0.000 0.516 241 Q N 0.810 120.326 119.800 -0.473 0.000 2.472 241 Q HA 0.032 4.372 4.340 -0.000 0.000 0.208 241 Q C -0.020 175.867 176.000 -0.189 0.000 0.958 241 Q CA 0.172 55.803 55.803 -0.286 0.000 0.932 241 Q CB 0.169 28.803 28.738 -0.173 0.000 1.007 241 Q HN 0.334 nan 8.270 nan 0.000 0.508 242 R N 1.014 121.406 120.500 -0.180 0.000 3.502 242 R HA -0.141 4.199 4.340 -0.000 0.000 0.266 242 R C -0.639 175.607 176.300 -0.089 0.000 1.077 242 R CA 0.598 56.624 56.100 -0.122 0.000 0.718 242 R CB -2.374 27.846 30.300 -0.133 0.000 1.120 242 R HN 0.293 nan 8.270 nan 0.000 0.457 243 E N 1.194 121.353 120.200 -0.070 0.000 2.398 243 E HA 0.051 4.401 4.350 -0.000 0.000 0.263 243 E C 0.888 177.467 176.600 -0.036 0.000 1.046 243 E CA -0.054 56.319 56.400 -0.045 0.000 0.908 243 E CB 0.757 30.448 29.700 -0.015 0.000 0.963 243 E HN 0.306 nan 8.360 nan 0.000 0.431 244 E N 1.149 121.328 120.200 -0.035 0.000 2.307 244 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 244 E C 0.416 177.008 176.600 -0.013 0.000 0.975 244 E CA 0.147 56.532 56.400 -0.024 0.000 0.878 244 E CB 0.419 30.103 29.700 -0.027 0.000 0.845 244 E HN 0.395 nan 8.360 nan 0.000 0.488 245 E N 0.609 120.801 120.200 -0.013 0.000 2.403 245 E HA 0.113 4.463 4.350 -0.000 0.000 0.187 245 E C -0.402 176.200 176.600 0.002 0.000 1.073 245 E CA -0.314 56.083 56.400 -0.004 0.000 0.888 245 E CB 0.624 30.321 29.700 -0.004 0.000 1.035 245 E HN 0.095 nan 8.360 nan 0.000 0.471 246 A N 1.427 124.247 122.820 0.001 0.000 2.515 246 A HA 0.440 4.760 4.320 -0.000 0.000 0.263 246 A C 0.567 178.158 177.584 0.012 0.000 1.096 246 A CA 0.679 52.721 52.037 0.009 0.000 0.769 246 A CB 0.229 19.233 19.000 0.007 0.000 1.040 246 A HN 0.247 nan 8.150 nan 0.000 0.505 247 G N 2.483 111.292 108.800 0.015 0.000 2.547 247 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 247 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 247 G C -2.457 172.452 174.900 0.015 0.000 1.471 247 G CA -0.430 44.678 45.100 0.014 0.000 0.798 247 G HN 0.191 nan 8.290 nan 0.000 0.504 248 P HA -0.162 nan 4.420 nan 0.000 0.218 248 P C 2.004 179.310 177.300 0.010 0.000 1.150 248 P CA 2.333 65.441 63.100 0.012 0.000 0.841 248 P CB 0.226 31.931 31.700 0.009 0.000 0.784 249 A N -0.839 121.986 122.820 0.009 0.000 1.877 249 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 249 A C 2.127 179.716 177.584 0.009 0.000 1.186 249 A CA 1.538 53.579 52.037 0.007 0.000 0.620 249 A CB -1.605 17.400 19.000 0.007 0.000 0.822 249 A HN 0.168 nan 8.150 nan 0.000 0.443 250 L N -0.063 121.168 121.223 0.012 0.000 1.961 250 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 250 L C 2.749 179.626 176.870 0.012 0.000 1.072 250 L CA 2.429 57.279 54.840 0.016 0.000 0.749 250 L CB -1.210 40.860 42.059 0.019 0.000 0.889 250 L HN 0.379 nan 8.230 nan 0.000 0.432 251 A N -0.561 122.266 122.820 0.010 0.000 1.915 251 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 251 A C 2.359 179.948 177.584 0.008 0.000 1.198 251 A CA 2.510 54.551 52.037 0.007 0.000 0.647 251 A CB -1.298 17.713 19.000 0.019 0.000 0.825 251 A HN 0.542 nan 8.150 nan 0.000 0.456 252 L N 0.444 121.672 121.223 0.008 0.000 2.201 252 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 252 L C 2.724 179.592 176.870 -0.004 0.000 1.105 252 L CA 2.170 57.013 54.840 0.005 0.000 0.775 252 L CB -0.231 41.830 42.059 0.004 0.000 0.913 252 L HN 0.540 nan 8.230 nan 0.000 0.440 253 S N -1.354 114.343 115.700 -0.005 0.000 2.395 253 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 253 S C 1.947 176.524 174.600 -0.038 0.000 1.027 253 S CA 0.792 58.978 58.200 -0.023 0.000 0.965 253 S CB -0.710 62.483 63.200 -0.011 0.000 0.812 253 S HN 0.416 nan 8.310 nan 0.000 0.482 254 L N 1.055 122.287 121.223 0.014 0.000 1.989 254 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 254 L C 2.615 179.536 176.870 0.084 0.000 1.071 254 L CA 1.544 56.441 54.840 0.095 0.000 0.749 254 L CB -0.724 41.348 42.059 0.022 0.000 0.890 254 L HN 0.290 nan 8.230 nan 0.000 0.431 255 I N -0.146 120.453 120.570 0.049 0.000 2.163 255 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 255 I C 2.387 178.510 176.117 0.009 0.000 1.085 255 I CA 1.465 62.798 61.300 0.055 0.000 1.347 255 I CB -0.344 37.681 38.000 0.043 0.000 1.044 255 I HN 0.287 nan 8.210 nan 0.000 0.408 256 E N 0.129 120.311 120.200 -0.029 0.000 2.268 256 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 256 E C 2.214 178.743 176.600 -0.119 0.000 0.995 256 E CA 0.754 57.122 56.400 -0.054 0.000 0.836 256 E CB -0.026 29.644 29.700 -0.049 0.000 0.763 256 E HN 0.354 nan 8.360 nan 0.000 0.491 257 R N -0.721 119.636 120.500 -0.238 0.000 2.090 257 R HA -0.011 4.328 4.340 -0.000 0.000 0.219 257 R C 1.040 177.014 176.300 -0.543 0.000 1.100 257 R CA 0.913 56.706 56.100 -0.513 0.000 0.991 257 R CB 0.289 30.038 30.300 -0.918 0.000 0.893 257 R HN 0.146 nan 8.270 nan 0.000 0.443 258 Y N -0.653 119.688 120.300 0.068 0.000 2.444 258 Y HA 0.264 4.813 4.550 -0.000 0.000 0.252 258 Y C -0.022 175.918 175.900 0.067 0.000 1.091 258 Y CA -0.611 57.537 58.100 0.080 0.000 1.276 258 Y CB 0.128 38.669 38.460 0.135 0.000 1.170 258 Y HN -0.082 nan 8.280 nan 0.000 0.517 259 E N 4.038 124.334 120.200 0.160 0.000 2.328 259 E HA 0.048 4.398 4.350 -0.000 0.000 0.265 259 E C -1.730 174.916 176.600 0.077 0.000 1.057 259 E CA -1.863 54.606 56.400 0.115 0.000 0.916 259 E CB 0.769 30.521 29.700 0.086 0.000 0.993 259 E HN 0.088 nan 8.360 nan 0.000 0.446 260 P HA -0.049 nan 4.420 nan 0.000 0.221 260 P C 0.094 177.413 177.300 0.032 0.000 1.155 260 P CA 0.275 63.403 63.100 0.047 0.000 0.812 260 P CB 0.279 32.002 31.700 0.038 0.000 0.801 261 S N 0.787 116.505 115.700 0.030 0.000 2.481 261 S HA 0.057 4.527 4.470 -0.000 0.000 0.276 261 S C 1.322 175.935 174.600 0.022 0.000 1.247 261 S CA -0.407 57.806 58.200 0.022 0.000 1.053 261 S CB 0.193 63.405 63.200 0.019 0.000 0.925 261 S HN -0.094 nan 8.310 nan 0.000 0.491 262 E N 3.889 124.099 120.200 0.017 0.000 2.077 262 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 262 E C 1.928 178.537 176.600 0.014 0.000 0.989 262 E CA 1.480 57.889 56.400 0.015 0.000 0.800 262 E CB -0.872 28.835 29.700 0.012 0.000 0.746 262 E HN 0.786 nan 8.360 nan 0.000 0.452 263 T N 1.428 115.990 114.554 0.014 0.000 2.622 263 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 263 T C 1.964 176.674 174.700 0.017 0.000 1.047 263 T CA 1.950 64.058 62.100 0.013 0.000 1.159 263 T CB -0.343 68.533 68.868 0.012 0.000 0.863 263 T HN 0.313 nan 8.240 nan 0.000 0.422 264 A N 1.239 124.072 122.820 0.022 0.000 1.908 264 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 264 A C 2.215 179.816 177.584 0.029 0.000 1.181 264 A CA 2.051 54.105 52.037 0.028 0.000 0.627 264 A CB -0.564 18.459 19.000 0.039 0.000 0.818 264 A HN 0.482 nan 8.150 nan 0.000 0.445 265 K N -0.459 119.957 120.400 0.027 0.000 1.991 265 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 265 K C 2.252 178.862 176.600 0.016 0.000 1.049 265 K CA 1.377 57.678 56.287 0.023 0.000 0.932 265 K CB -0.384 32.128 32.500 0.020 0.000 0.717 265 K HN 0.372 nan 8.250 nan 0.000 0.441 266 A N 0.907 123.735 122.820 0.013 0.000 1.940 266 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 266 A C 1.657 179.247 177.584 0.010 0.000 1.176 266 A CA 1.590 53.633 52.037 0.009 0.000 0.631 266 A CB -0.435 18.570 19.000 0.008 0.000 0.814 266 A HN 0.510 nan 8.150 nan 0.000 0.446 267 Q N -1.172 118.636 119.800 0.012 0.000 2.282 267 Q HA 0.200 4.540 4.340 -0.000 0.000 0.205 267 Q C -0.568 175.440 176.000 0.014 0.000 0.915 267 Q CA -0.295 55.515 55.803 0.012 0.000 0.949 267 Q CB 0.104 28.849 28.738 0.012 0.000 1.035 267 Q HN 0.557 nan 8.270 nan 0.000 0.484 268 R N 1.032 121.541 120.500 0.015 0.000 3.251 268 R HA -0.221 4.119 4.340 -0.000 0.000 0.249 268 R C -0.738 175.575 176.300 0.022 0.000 0.949 268 R CA 0.621 56.731 56.100 0.017 0.000 0.645 268 R CB -1.584 28.723 30.300 0.012 0.000 1.065 268 R HN 0.396 nan 8.270 nan 0.000 0.452 269 Q N -0.166 119.653 119.800 0.031 0.000 2.451 269 Q HA 0.619 4.959 4.340 -0.000 0.000 0.281 269 Q C -0.814 175.225 176.000 0.066 0.000 1.099 269 Q CA -1.009 54.818 55.803 0.041 0.000 0.806 269 Q CB 2.613 31.374 28.738 0.038 0.000 1.419 269 Q HN 0.253 nan 8.270 nan 0.000 0.427 270 M N 1.607 121.263 119.600 0.093 0.000 2.253 270 M HA 0.425 4.904 4.480 -0.000 0.000 0.314 270 M C -0.741 175.683 176.300 0.208 0.000 1.019 270 M CA -0.363 55.025 55.300 0.146 0.000 0.932 270 M CB 1.696 34.399 32.600 0.172 0.000 1.606 270 M HN 0.794 nan 8.290 nan 0.000 0.430 271 T N 0.751 115.383 114.554 0.130 0.000 2.847 271 T HA 0.320 4.670 4.350 -0.000 0.000 0.279 271 T C 0.826 175.408 174.700 -0.197 0.000 0.984 271 T CA -0.692 61.416 62.100 0.013 0.000 0.988 271 T CB 1.370 70.217 68.868 -0.034 0.000 1.040 271 T HN 0.889 nan 8.240 nan 0.000 0.528 272 K N 0.054 119.997 120.400 -0.763 0.000 2.103 272 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 272 K C 1.510 177.944 176.600 -0.277 0.000 1.048 272 K CA 1.697 57.368 56.287 -1.027 0.000 0.930 272 K CB -0.275 31.585 32.500 -1.066 0.000 0.716 272 K HN 0.580 nan 8.250 nan 0.000 0.444 273 D N -0.359 119.930 120.400 -0.185 0.000 2.092 273 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 273 D C 1.815 178.125 176.300 0.016 0.000 0.994 273 D CA 1.577 55.533 54.000 -0.073 0.000 0.828 273 D CB -0.567 40.200 40.800 -0.055 0.000 0.963 273 D HN 0.448 nan 8.370 nan 0.000 0.450 274 G N -0.251 108.590 108.800 0.068 0.000 2.432 274 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 274 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 274 G C 1.476 176.524 174.900 0.246 0.000 1.135 274 G CA 0.246 45.443 45.100 0.160 0.000 0.767 274 G HN 0.202 nan 8.290 nan 0.000 0.550 275 F N 0.947 120.940 119.950 0.072 0.000 2.075 275 F HA -0.018 4.509 4.527 0.000 0.000 0.297 275 F C 2.290 178.161 175.800 0.118 0.000 1.113 275 F CA 1.234 59.322 58.000 0.147 0.000 1.218 275 F CB -0.442 38.649 39.000 0.151 0.000 0.984 275 F HN 0.116 nan 8.300 nan 0.000 0.472 276 L N 0.020 121.270 121.223 0.045 0.000 2.046 276 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 276 L C 2.231 179.019 176.870 -0.137 0.000 1.077 276 L CA 1.769 56.536 54.840 -0.121 0.000 0.747 276 L CB -0.871 41.124 42.059 -0.107 0.000 0.896 276 L HN 0.146 nan 8.230 nan 0.000 0.432 277 M N -1.391 118.174 119.600 -0.058 0.000 2.108 277 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 277 M C 2.373 178.514 176.300 -0.264 0.000 1.066 277 M CA 1.863 57.116 55.300 -0.079 0.000 1.107 277 M CB -1.371 31.270 32.600 0.070 0.000 1.356 277 M HN 0.502 nan 8.290 nan 0.000 0.406 278 Y N 1.072 121.166 120.300 -0.343 0.000 2.145 278 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 278 Y C 2.061 177.725 175.900 -0.393 0.000 1.145 278 Y CA 1.625 59.370 58.100 -0.593 0.000 1.148 278 Y CB -0.857 37.499 38.460 -0.173 0.000 0.981 278 Y HN 0.124 nan 8.280 nan 0.000 0.507 279 L N -0.078 120.745 121.223 -0.667 0.000 2.187 279 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 279 L C 2.109 178.924 176.870 -0.091 0.000 1.100 279 L CA 1.192 55.725 54.840 -0.512 0.000 0.765 279 L CB -0.396 41.495 42.059 -0.280 0.000 0.904 279 L HN 0.357 nan 8.230 nan 0.000 0.437 280 L N -1.309 119.789 121.223 -0.209 0.000 2.585 280 L HA 0.064 4.404 4.340 -0.000 0.000 0.226 280 L C 1.575 178.391 176.870 -0.090 0.000 1.113 280 L CA -0.300 54.427 54.840 -0.187 0.000 0.876 280 L CB 0.040 41.922 42.059 -0.294 0.000 1.072 280 L HN 0.246 nan 8.230 nan 0.000 0.468 281 S N -0.300 115.245 115.700 -0.258 0.000 2.641 281 S HA 0.321 4.791 4.470 -0.000 0.000 0.261 281 S C 1.452 175.950 174.600 -0.170 0.000 1.257 281 S CA -0.012 58.047 58.200 -0.235 0.000 0.983 281 S CB 1.420 64.279 63.200 -0.568 0.000 0.990 281 S HN 0.111 nan 8.310 nan 0.000 0.572 282 A N 0.014 122.784 122.820 -0.082 0.000 2.070 282 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 282 A C 1.759 179.326 177.584 -0.029 0.000 1.159 282 A CA 1.488 53.477 52.037 -0.079 0.000 0.656 282 A CB -0.895 18.099 19.000 -0.009 0.000 0.800 282 A HN 0.879 nan 8.150 nan 0.000 0.453 283 D N -0.847 119.565 120.400 0.020 0.000 2.249 283 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 283 D C 1.822 178.094 176.300 -0.046 0.000 0.962 283 D CA 1.160 55.219 54.000 0.099 0.000 0.860 283 D CB -0.014 41.000 40.800 0.357 0.000 0.955 283 D HN 0.484 nan 8.370 nan 0.000 0.505 284 G N 0.305 108.938 108.800 -0.277 0.000 2.939 284 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.210 284 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.210 284 G C 0.845 175.675 174.900 -0.118 0.000 1.160 284 G CA -0.269 44.596 45.100 -0.392 0.000 0.770 284 G HN 0.038 nan 8.290 nan 0.000 0.543 285 N N 1.192 119.848 118.700 -0.074 0.000 2.412 285 N HA 0.145 4.885 4.740 -0.000 0.000 0.254 285 N C 1.537 177.037 175.510 -0.017 0.000 1.232 285 N CA 0.482 53.520 53.050 -0.020 0.000 0.880 285 N CB 1.416 39.839 38.487 -0.105 0.000 1.076 285 N HN 0.037 nan 8.380 nan 0.000 0.458 286 A N 4.280 127.091 122.820 -0.015 0.000 2.067 286 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 286 A C 0.713 178.247 177.584 -0.084 0.000 1.158 286 A CA 0.574 52.549 52.037 -0.104 0.000 0.661 286 A CB -0.286 18.590 19.000 -0.207 0.000 0.801 286 A HN 0.606 nan 8.150 nan 0.000 0.452 287 F N 1.309 121.180 119.950 -0.132 0.000 2.375 287 F HA 0.413 4.940 4.527 -0.000 0.000 0.362 287 F C 0.937 176.672 175.800 -0.109 0.000 1.129 287 F CA -1.133 56.803 58.000 -0.107 0.000 1.154 287 F CB 0.568 39.521 39.000 -0.079 0.000 1.205 287 F HN 0.016 nan 8.300 nan 0.000 0.513 288 S N 6.517 122.192 115.700 -0.042 0.000 2.998 288 S HA -0.120 4.350 4.470 -0.000 0.000 0.348 288 S C 1.411 176.059 174.600 0.080 0.000 1.210 288 S CA -0.420 57.731 58.200 -0.082 0.000 1.118 288 S CB -0.161 62.799 63.200 -0.400 0.000 0.832 288 S HN 0.814 nan 8.310 nan 0.000 0.516 289 L N 6.629 127.866 121.223 0.023 0.000 2.042 289 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 289 L C 2.483 179.359 176.870 0.010 0.000 1.076 289 L CA 2.595 57.456 54.840 0.035 0.000 0.749 289 L CB -1.526 40.548 42.059 0.024 0.000 0.893 289 L HN 0.870 nan 8.230 nan 0.000 0.432 290 A N -1.483 121.279 122.820 -0.096 0.000 1.940 290 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 290 A C 1.987 179.512 177.584 -0.099 0.000 1.176 290 A CA 1.813 53.769 52.037 -0.136 0.000 0.631 290 A CB -0.940 17.901 19.000 -0.265 0.000 0.814 290 A HN 0.674 nan 8.150 nan 0.000 0.446 291 H N -0.698 118.267 119.070 -0.174 0.000 2.556 291 H HA 0.128 4.684 4.556 -0.000 0.000 0.268 291 H C 1.219 176.684 175.328 0.230 0.000 0.996 291 H CA 0.498 56.456 56.048 -0.150 0.000 1.157 291 H CB -0.090 29.625 29.762 -0.078 0.000 1.355 291 H HN 0.482 nan 8.280 nan 0.000 0.597 292 R N 1.225 121.893 120.500 0.281 0.000 2.423 292 R HA 0.114 4.454 4.340 -0.000 0.000 0.248 292 R C 0.037 176.441 176.300 0.173 0.000 1.019 292 R CA -0.028 56.189 56.100 0.195 0.000 1.119 292 R CB 0.167 30.509 30.300 0.070 0.000 1.176 292 R HN 0.333 nan 8.270 nan 0.000 0.526 293 R N -2.597 118.051 120.500 0.246 0.000 2.707 293 R HA 0.305 4.645 4.340 -0.000 0.000 0.272 293 R C -0.974 175.517 176.300 0.319 0.000 1.011 293 R CA -0.956 55.277 56.100 0.222 0.000 0.893 293 R CB 1.021 31.419 30.300 0.165 0.000 1.233 293 R HN -0.225 nan 8.270 nan 0.000 0.464 294 V N 3.563 123.619 119.914 0.237 0.000 2.475 294 V HA -0.023 4.097 4.120 -0.000 0.000 0.292 294 V C -0.157 176.072 176.094 0.226 0.000 1.003 294 V CA 0.623 63.041 62.300 0.197 0.000 1.120 294 V CB -0.763 31.173 31.823 0.188 0.000 0.937 294 V HN 0.910 nan 8.190 nan 0.000 0.476 295 Y N 1.869 122.221 120.300 0.086 0.000 2.610 295 Y HA 0.490 5.040 4.550 0.000 0.000 0.254 295 Y C 0.582 176.510 175.900 0.047 0.000 1.110 295 Y CA -0.767 57.379 58.100 0.077 0.000 1.238 295 Y CB -0.104 38.423 38.460 0.112 0.000 1.322 295 Y HN 0.473 nan 8.280 nan 0.000 0.547 296 Q N 1.463 120.935 119.800 -0.547 0.000 2.212 296 Q HA 0.134 4.474 4.340 -0.000 0.000 0.238 296 Q C -0.877 175.041 176.000 -0.135 0.000 0.955 296 Q CA -0.909 54.648 55.803 -0.410 0.000 0.906 296 Q CB 0.940 29.369 28.738 -0.516 0.000 1.215 296 Q HN 0.168 nan 8.270 nan 0.000 0.478 297 D N 1.572 121.930 120.400 -0.071 0.000 2.349 297 D HA -0.029 4.611 4.640 -0.000 0.000 0.266 297 D C -0.117 176.222 176.300 0.064 0.000 1.293 297 D CA 0.225 54.221 54.000 -0.007 0.000 0.926 297 D CB 0.585 41.377 40.800 -0.014 0.000 1.090 297 D HN 0.338 nan 8.370 nan 0.000 0.502 298 M N 2.648 122.250 119.600 0.003 0.000 2.626 298 M HA 0.108 4.588 4.480 -0.000 0.000 0.262 298 M C 0.037 176.302 176.300 -0.059 0.000 1.256 298 M CA -0.015 55.229 55.300 -0.093 0.000 0.981 298 M CB -0.016 32.440 32.600 -0.240 0.000 1.492 298 M HN 0.277 nan 8.290 nan 0.000 0.474 299 D N 0.056 120.475 120.400 0.032 0.000 2.431 299 D HA 0.144 4.784 4.640 -0.000 0.000 0.213 299 D C 0.462 176.753 176.300 -0.015 0.000 1.130 299 D CA 0.171 54.164 54.000 -0.011 0.000 0.834 299 D CB 0.951 41.739 40.800 -0.019 0.000 0.985 299 D HN 0.419 nan 8.370 nan 0.000 0.504 300 Q N 1.116 120.956 119.800 0.067 0.000 2.199 300 Q HA 0.363 4.703 4.340 -0.000 0.000 0.232 300 Q C -2.467 173.492 176.000 -0.069 0.000 0.969 300 Q CA -1.875 53.874 55.803 -0.090 0.000 0.925 300 Q CB 0.560 29.184 28.738 -0.189 0.000 1.198 300 Q HN -0.078 nan 8.270 nan 0.000 0.494 301 P HA 0.000 nan 4.420 nan 0.000 0.271 301 P C 0.568 177.864 177.300 -0.007 0.000 1.216 301 P CA 0.121 63.074 63.100 -0.245 0.000 0.776 301 P CB 0.516 31.995 31.700 -0.369 0.000 0.881 302 L N 1.749 123.010 121.223 0.063 0.000 2.123 302 L HA -0.310 4.030 4.340 -0.000 0.000 0.217 302 L C 2.233 179.307 176.870 0.338 0.000 1.081 302 L CA 2.620 57.593 54.840 0.222 0.000 0.772 302 L CB -1.255 40.896 42.059 0.153 0.000 0.890 302 L HN 0.491 nan 8.230 nan 0.000 0.437 303 S N -2.168 113.675 115.700 0.239 0.000 2.537 303 S HA -0.175 4.295 4.470 -0.000 0.000 0.240 303 S C 1.426 176.192 174.600 0.277 0.000 0.981 303 S CA 0.730 59.082 58.200 0.253 0.000 0.948 303 S CB -0.694 62.633 63.200 0.213 0.000 0.759 303 S HN 0.584 nan 8.310 nan 0.000 0.531 304 H N -0.852 118.208 119.070 -0.017 0.000 2.539 304 H HA 0.253 4.809 4.556 -0.000 0.000 0.269 304 H C -0.550 174.504 175.328 -0.456 0.000 0.980 304 H CA -0.070 55.814 56.048 -0.274 0.000 1.152 304 H CB 0.232 29.737 29.762 -0.429 0.000 1.407 304 H HN 0.460 nan 8.280 nan 0.000 0.564 305 Y N 0.446 120.810 120.300 0.106 0.000 2.509 305 Y HA 0.316 4.866 4.550 -0.000 0.000 0.341 305 Y C 0.000 175.932 175.900 0.052 0.000 1.038 305 Y CA -0.952 57.188 58.100 0.065 0.000 1.089 305 Y CB 1.544 40.119 38.460 0.191 0.000 1.241 305 Y HN -0.118 nan 8.280 nan 0.000 0.468 306 L N 2.726 124.020 121.223 0.117 0.000 2.350 306 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 306 L C -0.832 176.211 176.870 0.289 0.000 1.099 306 L CA -0.821 54.071 54.840 0.088 0.000 0.808 306 L CB 0.895 42.760 42.059 -0.324 0.000 1.149 306 L HN 0.337 nan 8.230 nan 0.000 0.442 307 V N 1.759 121.834 119.914 0.269 0.000 2.531 307 V HA 0.164 4.284 4.120 -0.000 0.000 0.301 307 V C 0.187 176.144 176.094 -0.227 0.000 1.034 307 V CA -0.626 61.618 62.300 -0.095 0.000 0.865 307 V CB 1.809 33.535 31.823 -0.162 0.000 0.995 307 V HN 0.803 nan 8.190 nan 0.000 0.424 308 S N 3.676 118.819 115.700 -0.929 0.000 2.509 308 S HA 0.297 4.767 4.470 -0.000 0.000 0.287 308 S C 0.170 174.654 174.600 -0.194 0.000 1.248 308 S CA -0.073 57.591 58.200 -0.893 0.000 1.089 308 S CB -0.125 62.449 63.200 -1.044 0.000 0.900 308 S HN 0.825 nan 8.310 nan 0.000 0.496 309 S N 3.697 119.489 115.700 0.154 0.000 2.536 309 S HA 0.554 5.024 4.470 -0.000 0.000 0.287 309 S C -0.698 173.873 174.600 -0.049 0.000 1.101 309 S CA -0.800 57.421 58.200 0.035 0.000 0.950 309 S CB 1.874 65.164 63.200 0.150 0.000 1.056 309 S HN 0.705 nan 8.310 nan 0.000 0.481 310 S N 1.632 117.176 115.700 -0.261 0.000 2.501 310 S HA 0.437 4.907 4.470 -0.000 0.000 0.301 310 S C -0.994 173.547 174.600 -0.098 0.000 1.096 310 S CA -0.641 57.356 58.200 -0.339 0.000 1.063 310 S CB 0.716 63.508 63.200 -0.679 0.000 1.042 310 S HN 0.810 nan 8.310 nan 0.000 0.494 311 H N 3.875 122.861 119.070 -0.140 0.000 2.476 311 H HA 0.280 4.836 4.556 -0.000 0.000 0.328 311 H C -0.353 174.819 175.328 -0.259 0.000 1.073 311 H CA -0.124 55.851 56.048 -0.122 0.000 1.229 311 H CB 0.287 30.026 29.762 -0.038 0.000 1.432 311 H HN 0.862 nan 8.280 nan 0.000 0.477 312 N N 3.835 122.035 118.700 -0.833 0.000 2.705 312 N HA -0.168 4.572 4.740 -0.000 0.000 0.255 312 N C 0.932 175.821 175.510 -1.035 0.000 1.008 312 N CA 1.288 53.704 53.050 -1.058 0.000 0.742 312 N CB -1.239 36.483 38.487 -1.275 0.000 0.906 312 N HN 0.730 nan 8.380 nan 0.000 0.541 313 T N -1.540 112.597 114.554 -0.696 0.000 2.751 313 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 313 T C 1.555 175.705 174.700 -0.916 0.000 1.045 313 T CA 1.936 63.600 62.100 -0.726 0.000 1.142 313 T CB -0.393 68.049 68.868 -0.711 0.000 0.851 313 T HN 0.706 nan 8.240 nan 0.000 0.474 314 Y N 0.858 120.746 120.300 -0.687 0.000 2.497 314 Y HA 0.337 4.887 4.550 -0.000 0.000 0.292 314 Y C 0.780 176.550 175.900 -0.217 0.000 1.137 314 Y CA -0.513 57.316 58.100 -0.452 0.000 1.285 314 Y CB -1.057 37.410 38.460 0.011 0.000 0.991 314 Y HN 0.126 nan 8.280 nan 0.000 0.556 315 L N 1.524 122.522 121.223 -0.375 0.000 2.371 315 L HA 0.164 4.504 4.340 -0.000 0.000 0.272 315 L C 0.844 177.634 176.870 -0.134 0.000 1.124 315 L CA -0.250 54.489 54.840 -0.167 0.000 0.816 315 L CB 1.435 43.338 42.059 -0.260 0.000 1.129 315 L HN 0.255 nan 8.230 nan 0.000 0.448 316 L N 1.414 122.607 121.223 -0.051 0.000 2.515 316 L HA 0.204 4.544 4.340 -0.000 0.000 0.223 316 L C 1.018 177.868 176.870 -0.034 0.000 1.079 316 L CA 0.455 55.269 54.840 -0.042 0.000 0.857 316 L CB 0.284 42.336 42.059 -0.012 0.000 1.050 316 L HN 0.742 nan 8.230 nan 0.000 0.476 317 E N -0.734 119.453 120.200 -0.021 0.000 4.442 317 E HA 0.105 4.454 4.350 -0.000 0.000 0.185 317 E C -0.740 175.853 176.600 -0.012 0.000 1.080 317 E CA -0.722 55.671 56.400 -0.012 0.000 0.993 317 E CB 0.287 29.991 29.700 0.007 0.000 1.905 317 E HN 0.088 nan 8.360 nan 0.000 0.416 318 D N 0.657 121.065 120.400 0.015 0.000 2.384 318 D HA -0.037 4.603 4.640 -0.000 0.000 0.244 318 D C 0.479 176.810 176.300 0.051 0.000 1.251 318 D CA -0.018 54.000 54.000 0.030 0.000 0.961 318 D CB 0.800 41.630 40.800 0.050 0.000 1.116 318 D HN 0.167 nan 8.370 nan 0.000 0.484 319 Q N -0.311 119.537 119.800 0.079 0.000 2.425 319 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 319 Q C 1.736 177.939 176.000 0.338 0.000 0.933 319 Q CA 0.382 56.270 55.803 0.142 0.000 0.939 319 Q CB 0.391 29.213 28.738 0.140 0.000 1.044 319 Q HN 0.555 nan 8.270 nan 0.000 0.513 320 L N -0.801 120.562 121.223 0.232 0.000 2.467 320 L HA 0.111 4.451 4.340 -0.000 0.000 0.213 320 L C 1.679 178.698 176.870 0.248 0.000 1.053 320 L CA 1.367 56.352 54.840 0.242 0.000 0.847 320 L CB 0.207 42.373 42.059 0.179 0.000 1.075 320 L HN 0.134 nan 8.230 nan 0.000 0.479 321 T N -4.061 110.597 114.554 0.174 0.000 3.080 321 T HA 0.241 4.591 4.350 -0.000 0.000 0.280 321 T C 0.904 175.676 174.700 0.119 0.000 0.926 321 T CA 0.275 62.469 62.100 0.158 0.000 0.883 321 T CB 0.130 69.030 68.868 0.053 0.000 1.194 321 T HN 0.101 nan 8.240 nan 0.000 0.541 322 G N 2.984 111.846 108.800 0.104 0.000 2.683 322 G HA2 0.538 4.498 3.960 -0.000 0.000 0.260 322 G HA3 0.538 4.498 3.960 -0.000 0.000 0.260 322 G C -2.603 172.352 174.900 0.092 0.000 1.238 322 G CA -1.134 44.011 45.100 0.076 0.000 0.934 322 G HN 0.263 nan 8.290 nan 0.000 0.534 323 P HA 0.319 nan 4.420 nan 0.000 0.279 323 P C -0.666 176.692 177.300 0.096 0.000 1.252 323 P CA -0.340 62.806 63.100 0.075 0.000 0.811 323 P CB 1.707 33.437 31.700 0.049 0.000 1.035 324 S N -0.105 115.666 115.700 0.119 0.000 2.568 324 S HA 0.688 5.157 4.470 -0.000 0.000 0.302 324 S C -0.575 174.097 174.600 0.120 0.000 1.082 324 S CA -0.365 57.935 58.200 0.166 0.000 1.009 324 S CB 1.151 64.485 63.200 0.223 0.000 1.069 324 S HN 0.627 nan 8.310 nan 0.000 0.500 325 S N 0.031 115.810 115.700 0.131 0.000 2.580 325 S HA 0.297 4.767 4.470 -0.000 0.000 0.281 325 S C 0.811 175.505 174.600 0.155 0.000 1.129 325 S CA -0.086 58.179 58.200 0.107 0.000 0.862 325 S CB 0.513 63.746 63.200 0.055 0.000 1.090 325 S HN 0.805 nan 8.310 nan 0.000 0.451 326 T N 0.850 115.489 114.554 0.142 0.000 2.881 326 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 326 T C 1.489 176.252 174.700 0.105 0.000 1.068 326 T CA 1.674 63.878 62.100 0.172 0.000 1.131 326 T CB -0.500 68.399 68.868 0.053 0.000 0.871 326 T HN 0.597 nan 8.240 nan 0.000 0.479 327 E N 2.428 122.647 120.200 0.032 0.000 2.097 327 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 327 E C 2.312 178.884 176.600 -0.048 0.000 1.000 327 E CA 1.588 57.969 56.400 -0.031 0.000 0.804 327 E CB -0.994 28.691 29.700 -0.025 0.000 0.740 327 E HN 0.615 nan 8.360 nan 0.000 0.454 328 A N -0.623 122.174 122.820 -0.038 0.000 1.908 328 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 328 A C 2.132 179.597 177.584 -0.198 0.000 1.181 328 A CA 1.732 53.690 52.037 -0.133 0.000 0.627 328 A CB -0.982 17.903 19.000 -0.193 0.000 0.818 328 A HN 0.433 nan 8.150 nan 0.000 0.445 329 Y N -0.356 119.886 120.300 -0.097 0.000 2.263 329 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 329 Y C 2.208 178.003 175.900 -0.174 0.000 1.130 329 Y CA 1.178 59.201 58.100 -0.128 0.000 1.179 329 Y CB -0.276 38.123 38.460 -0.103 0.000 0.998 329 Y HN 0.220 nan 8.280 nan 0.000 0.532 330 I N -0.344 120.180 120.570 -0.077 0.000 2.163 330 I HA -0.319 3.851 4.170 -0.000 0.000 0.240 330 I C 2.373 178.345 176.117 -0.241 0.000 1.081 330 I CA 1.316 62.416 61.300 -0.332 0.000 1.353 330 I CB -0.378 37.290 38.000 -0.552 0.000 1.054 330 I HN 0.145 nan 8.210 nan 0.000 0.407 331 R N 0.960 121.368 120.500 -0.153 0.000 2.094 331 R HA -0.201 4.138 4.340 -0.000 0.000 0.239 331 R C 2.445 178.735 176.300 -0.017 0.000 1.137 331 R CA 1.750 57.805 56.100 -0.074 0.000 0.943 331 R CB -0.771 29.502 30.300 -0.045 0.000 0.850 331 R HN 0.385 nan 8.270 nan 0.000 0.433 332 A N 1.394 124.186 122.820 -0.046 0.000 1.908 332 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 332 A C 2.274 179.814 177.584 -0.072 0.000 1.181 332 A CA 1.289 53.285 52.037 -0.069 0.000 0.627 332 A CB -0.577 18.218 19.000 -0.343 0.000 0.818 332 A HN 0.202 nan 8.150 nan 0.000 0.445 333 L N -1.044 120.134 121.223 -0.075 0.000 2.093 333 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 333 L C 2.485 179.371 176.870 0.028 0.000 1.085 333 L CA 1.056 55.874 54.840 -0.038 0.000 0.755 333 L CB -0.434 41.616 42.059 -0.014 0.000 0.904 333 L HN 0.482 nan 8.230 nan 0.000 0.435 334 C N -0.347 118.972 119.300 0.032 0.000 2.437 334 C HA -0.094 4.366 4.460 -0.000 0.000 0.283 334 C C 2.254 177.295 174.990 0.085 0.000 1.424 334 C CA 0.491 59.552 59.018 0.072 0.000 1.782 334 C CB -0.902 26.866 27.740 0.047 0.000 1.833 334 C HN 0.351 nan 8.230 nan 0.000 0.532 335 K N 0.150 120.617 120.400 0.113 0.000 2.437 335 K HA 0.223 4.543 4.320 -0.000 0.000 0.198 335 K C 1.400 178.114 176.600 0.190 0.000 1.024 335 K CA 0.621 57.011 56.287 0.171 0.000 1.148 335 K CB 0.085 32.750 32.500 0.275 0.000 0.860 335 K HN 0.475 nan 8.250 nan 0.000 0.515 336 G N 1.392 110.263 108.800 0.120 0.000 2.159 336 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.256 336 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.256 336 G C 0.332 175.237 174.900 0.008 0.000 0.977 336 G CA -0.024 45.126 45.100 0.084 0.000 0.652 336 G HN 0.429 nan 8.290 nan 0.000 0.531 337 C N 1.151 120.440 119.300 -0.019 0.000 2.596 337 C HA 0.496 4.956 4.460 -0.000 0.000 0.414 337 C C 2.000 176.871 174.990 -0.198 0.000 1.396 337 C CA 0.330 59.221 59.018 -0.213 0.000 1.698 337 C CB 0.098 27.482 27.740 -0.593 0.000 2.572 337 C HN 0.494 nan 8.230 nan 0.000 0.604 338 R N 2.775 123.139 120.500 -0.228 0.000 2.195 338 R HA 0.162 4.502 4.340 -0.000 0.000 0.197 338 R C 0.317 176.550 176.300 -0.111 0.000 0.990 338 R CA 0.482 56.489 56.100 -0.155 0.000 1.048 338 R CB -0.392 29.764 30.300 -0.240 0.000 0.997 338 R HN 0.675 nan 8.270 nan 0.000 0.502 339 C N 2.969 122.186 119.300 -0.139 0.000 2.251 339 C HA 0.560 5.020 4.460 -0.000 0.000 0.323 339 C C 0.112 175.046 174.990 -0.093 0.000 1.241 339 C CA -0.702 58.276 59.018 -0.067 0.000 1.601 339 C CB -0.433 27.293 27.740 -0.024 0.000 2.251 339 C HN 0.198 nan 8.230 nan 0.000 0.488 340 L N 3.384 124.585 121.223 -0.036 0.000 2.313 340 L HA 0.683 5.023 4.340 -0.000 0.000 0.268 340 L C -0.120 176.786 176.870 0.060 0.000 1.010 340 L CA -0.568 54.268 54.840 -0.006 0.000 0.814 340 L CB 1.227 43.346 42.059 0.099 0.000 1.304 340 L HN 0.494 nan 8.230 nan 0.000 0.441 341 E N 1.554 121.801 120.200 0.079 0.000 2.199 341 E HA 0.582 4.932 4.350 -0.000 0.000 0.265 341 E C -1.627 175.148 176.600 0.292 0.000 0.882 341 E CA -0.678 55.789 56.400 0.112 0.000 0.759 341 E CB 2.533 32.227 29.700 -0.010 0.000 1.148 341 E HN 0.235 nan 8.360 nan 0.000 0.412 342 L N 3.146 124.532 121.223 0.271 0.000 2.343 342 L HA 0.320 4.660 4.340 -0.000 0.000 0.278 342 L C -0.944 176.072 176.870 0.242 0.000 0.996 342 L CA -0.565 54.470 54.840 0.325 0.000 0.831 342 L CB 1.461 43.657 42.059 0.227 0.000 1.232 342 L HN 0.383 nan 8.230 nan 0.000 0.413 343 D N 2.293 122.833 120.400 0.233 0.000 2.467 343 D HA 0.270 4.910 4.640 -0.000 0.000 0.220 343 D C -0.667 175.695 176.300 0.104 0.000 1.103 343 D CA -0.196 53.908 54.000 0.173 0.000 0.886 343 D CB 0.741 41.717 40.800 0.294 0.000 1.025 343 D HN 0.384 nan 8.370 nan 0.000 0.514 344 C N 2.885 122.154 119.300 -0.051 0.000 2.394 344 C HA 0.537 4.997 4.460 -0.000 0.000 0.362 344 C C 0.007 174.770 174.990 -0.379 0.000 1.268 344 C CA -1.169 57.788 59.018 -0.101 0.000 1.828 344 C CB -1.285 26.372 27.740 -0.138 0.000 2.442 344 C HN 0.497 nan 8.230 nan 0.000 0.549 345 W N 0.578 121.898 121.300 0.034 0.000 2.882 345 W HA 0.430 5.090 4.660 -0.000 0.000 0.345 345 W C -0.338 176.194 176.519 0.022 0.000 1.125 345 W CA -0.599 56.773 57.345 0.044 0.000 1.167 345 W CB 0.535 30.058 29.460 0.106 0.000 1.431 345 W HN 0.445 nan 8.180 nan 0.000 0.543 346 D N 0.595 121.130 120.400 0.226 0.000 2.414 346 D HA 0.416 5.056 4.640 -0.000 0.000 0.242 346 D C 0.386 176.756 176.300 0.116 0.000 1.129 346 D CA 0.689 54.757 54.000 0.114 0.000 0.885 346 D CB 0.954 41.805 40.800 0.084 0.000 1.198 346 D HN 0.488 nan 8.370 nan 0.000 0.437 347 G N 1.062 109.904 108.800 0.069 0.000 2.714 347 G HA2 0.593 4.553 3.960 -0.000 0.000 0.292 347 G HA3 0.593 4.553 3.960 -0.000 0.000 0.292 347 G C -2.777 172.137 174.900 0.023 0.000 1.308 347 G CA -1.381 43.744 45.100 0.042 0.000 0.964 347 G HN 0.219 nan 8.290 nan 0.000 0.484 348 P HA 0.094 nan 4.420 nan 0.000 0.269 348 P C 0.311 177.620 177.300 0.015 0.000 1.217 348 P CA 0.277 63.379 63.100 0.004 0.000 0.783 348 P CB 0.377 32.074 31.700 -0.006 0.000 0.898 349 N N 0.757 119.464 118.700 0.013 0.000 2.708 349 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 349 N C -0.385 175.140 175.510 0.024 0.000 1.097 349 N CA 0.906 53.966 53.050 0.017 0.000 0.710 349 N CB -1.085 37.413 38.487 0.020 0.000 1.032 349 N HN 0.348 nan 8.380 nan 0.000 0.551 350 Q N -2.715 117.098 119.800 0.021 0.000 2.494 350 Q HA -0.219 4.121 4.340 -0.000 0.000 0.272 350 Q C -1.116 174.911 176.000 0.045 0.000 1.145 350 Q CA 1.397 57.212 55.803 0.020 0.000 0.943 350 Q CB -1.406 27.337 28.738 0.008 0.000 1.338 350 Q HN 0.658 nan 8.270 nan 0.000 0.492 351 E N 0.606 120.842 120.200 0.060 0.000 2.155 351 E HA 0.406 4.756 4.350 -0.000 0.000 0.264 351 E C -2.365 174.287 176.600 0.086 0.000 0.886 351 E CA -2.081 54.381 56.400 0.104 0.000 0.752 351 E CB 1.564 31.323 29.700 0.098 0.000 1.133 351 E HN -0.054 nan 8.360 nan 0.000 0.414 352 P HA 0.145 nan 4.420 nan 0.000 0.268 352 P C -0.024 177.357 177.300 0.134 0.000 1.205 352 P CA 0.095 63.225 63.100 0.049 0.000 0.771 352 P CB 0.448 32.071 31.700 -0.130 0.000 0.858 353 I N -0.282 120.385 120.570 0.162 0.000 3.023 353 I HA 0.641 4.811 4.170 -0.000 0.000 0.312 353 I C -0.517 175.770 176.117 0.283 0.000 1.056 353 I CA -1.327 60.090 61.300 0.195 0.000 1.033 353 I CB 1.911 39.993 38.000 0.136 0.000 1.233 353 I HN 0.089 nan 8.210 nan 0.000 0.462 354 I N 2.802 123.513 120.570 0.235 0.000 2.498 354 I HA 0.560 4.730 4.170 -0.000 0.000 0.290 354 I C -1.159 175.016 176.117 0.098 0.000 1.032 354 I CA -0.605 60.787 61.300 0.153 0.000 1.073 354 I CB 2.052 40.088 38.000 0.060 0.000 1.251 354 I HN 0.810 nan 8.210 nan 0.000 0.426 355 Y N 3.490 123.602 120.300 -0.312 0.000 2.891 355 Y HA 0.300 4.850 4.550 -0.000 0.000 0.361 355 Y C -1.284 174.482 175.900 -0.223 0.000 1.255 355 Y CA -1.251 56.629 58.100 -0.367 0.000 1.103 355 Y CB 0.741 39.085 38.460 -0.194 0.000 1.454 355 Y HN 0.517 nan 8.280 nan 0.000 0.449 356 H N 1.530 120.368 119.070 -0.386 0.000 3.004 356 H HA 0.403 4.959 4.556 -0.000 0.000 0.267 356 H C 0.643 175.526 175.328 -0.741 0.000 1.165 356 H CA -0.122 55.774 56.048 -0.252 0.000 1.450 356 H CB 0.318 30.139 29.762 0.097 0.000 1.488 356 H HN 1.122 nan 8.280 nan 0.000 0.478 357 G N 3.774 112.057 108.800 -0.862 0.000 2.138 357 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 357 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 357 G C -0.529 173.759 174.900 -1.019 0.000 1.166 357 G CA 0.219 44.451 45.100 -1.447 0.000 0.902 357 G HN 0.940 nan 8.290 nan 0.000 0.460 358 Y N -0.871 119.009 120.300 -0.701 0.000 4.272 358 Y HA -0.276 4.274 4.550 -0.000 0.000 0.232 358 Y C 1.423 177.123 175.900 -0.334 0.000 1.149 358 Y CA 1.121 58.973 58.100 -0.414 0.000 1.961 358 Y CB -2.609 35.680 38.460 -0.286 0.000 1.611 358 Y HN 1.143 nan 8.280 nan 0.000 0.682 359 T N -5.355 109.063 114.554 -0.227 0.000 2.716 359 T HA 0.733 5.083 4.350 -0.000 0.000 0.286 359 T C -0.087 174.559 174.700 -0.090 0.000 1.052 359 T CA -0.700 61.365 62.100 -0.058 0.000 1.024 359 T CB 0.939 69.817 68.868 0.016 0.000 1.349 359 T HN -0.125 nan 8.240 nan 0.000 0.525 360 F N 1.448 121.427 119.950 0.048 0.000 2.668 360 F HA 0.277 4.804 4.527 -0.000 0.000 0.297 360 F C 1.527 177.362 175.800 0.059 0.000 1.124 360 F CA -0.707 57.310 58.000 0.029 0.000 1.353 360 F CB -0.397 38.612 39.000 0.015 0.000 0.992 360 F HN 0.714 nan 8.300 nan 0.000 0.524 361 T N -1.401 113.319 114.554 0.277 0.000 2.930 361 T HA 0.224 4.574 4.350 -0.000 0.000 0.306 361 T C 0.706 175.512 174.700 0.175 0.000 1.045 361 T CA -0.611 61.642 62.100 0.255 0.000 1.134 361 T CB 1.115 70.181 68.868 0.330 0.000 0.961 361 T HN 0.276 nan 8.240 nan 0.000 0.545 362 S N 2.308 118.081 115.700 0.122 0.000 2.569 362 S HA 0.244 4.714 4.470 -0.000 0.000 0.274 362 S C -0.202 174.428 174.600 0.050 0.000 1.353 362 S CA -0.423 57.807 58.200 0.049 0.000 1.023 362 S CB 0.056 63.286 63.200 0.051 0.000 0.876 362 S HN 0.816 nan 8.310 nan 0.000 0.540 363 K N 0.896 121.278 120.400 -0.031 0.000 2.238 363 K HA 0.805 5.125 4.320 -0.000 0.000 0.239 363 K C -0.257 176.356 176.600 0.021 0.000 0.987 363 K CA -0.777 55.495 56.287 -0.025 0.000 0.857 363 K CB 1.459 33.847 32.500 -0.187 0.000 1.154 363 K HN 0.794 nan 8.250 nan 0.000 0.439 364 I N -2.702 117.899 120.570 0.051 0.000 3.195 364 I HA 0.436 4.606 4.170 -0.000 0.000 0.313 364 I C -1.346 174.808 176.117 0.062 0.000 1.237 364 I CA -1.414 59.918 61.300 0.054 0.000 0.963 364 I CB 1.319 39.369 38.000 0.083 0.000 1.278 364 I HN 0.315 nan 8.210 nan 0.000 0.460 365 L N 1.933 123.181 121.223 0.041 0.000 2.326 365 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 365 L C 0.741 177.640 176.870 0.047 0.000 1.092 365 L CA -0.334 54.536 54.840 0.051 0.000 0.810 365 L CB 1.235 43.300 42.059 0.010 0.000 1.153 365 L HN 0.691 nan 8.230 nan 0.000 0.439 366 F N 2.982 122.898 119.950 -0.057 0.000 2.126 366 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 366 F C 2.487 178.182 175.800 -0.174 0.000 1.096 366 F CA 2.006 59.955 58.000 -0.084 0.000 1.255 366 F CB 0.000 38.984 39.000 -0.027 0.000 0.997 366 F HN 0.719 nan 8.300 nan 0.000 0.479 367 C N -0.296 118.900 119.300 -0.173 0.000 2.446 367 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 367 C C 2.426 177.244 174.990 -0.288 0.000 1.275 367 C CA 0.865 59.641 59.018 -0.404 0.000 1.727 367 C CB -1.402 25.964 27.740 -0.624 0.000 2.010 367 C HN 0.412 nan 8.230 nan 0.000 0.486 368 D N 1.381 121.668 120.400 -0.187 0.000 2.123 368 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 368 D C 2.375 178.563 176.300 -0.187 0.000 0.992 368 D CA 1.364 55.282 54.000 -0.136 0.000 0.833 368 D CB -0.471 40.286 40.800 -0.072 0.000 0.954 368 D HN 0.434 nan 8.370 nan 0.000 0.455 369 V N 0.878 120.631 119.914 -0.269 0.000 2.343 369 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 369 V C 2.583 178.400 176.094 -0.462 0.000 1.051 369 V CA 1.107 63.156 62.300 -0.417 0.000 1.036 369 V CB -0.402 31.087 31.823 -0.556 0.000 0.654 369 V HN 0.250 nan 8.190 nan 0.000 0.451 370 L N -0.670 120.264 121.223 -0.482 0.000 2.131 370 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 370 L C 2.766 179.500 176.870 -0.226 0.000 1.092 370 L CA 1.608 56.209 54.840 -0.398 0.000 0.759 370 L CB -0.550 41.252 42.059 -0.428 0.000 0.903 370 L HN 0.304 nan 8.230 nan 0.000 0.435 371 R N -0.266 120.127 120.500 -0.178 0.000 2.073 371 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 371 R C 2.477 178.751 176.300 -0.044 0.000 1.120 371 R CA 1.164 57.210 56.100 -0.091 0.000 0.967 371 R CB -0.426 29.833 30.300 -0.068 0.000 0.862 371 R HN 0.305 nan 8.270 nan 0.000 0.436 372 A N 1.539 124.326 122.820 -0.055 0.000 1.883 372 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 372 A C 2.167 179.781 177.584 0.050 0.000 1.186 372 A CA 1.324 53.381 52.037 0.033 0.000 0.624 372 A CB -0.558 18.423 19.000 -0.031 0.000 0.822 372 A HN 0.180 nan 8.150 nan 0.000 0.444 373 I N -1.079 119.434 120.570 -0.095 0.000 2.226 373 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 373 I C 2.742 178.817 176.117 -0.070 0.000 1.100 373 I CA 1.637 62.876 61.300 -0.102 0.000 1.374 373 I CB -0.406 37.473 38.000 -0.201 0.000 1.057 373 I HN 0.410 nan 8.210 nan 0.000 0.413 374 R N 1.148 121.610 120.500 -0.063 0.000 2.083 374 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 374 R C 1.710 178.000 176.300 -0.017 0.000 1.137 374 R CA 2.183 58.265 56.100 -0.031 0.000 0.951 374 R CB -0.217 30.067 30.300 -0.027 0.000 0.851 374 R HN 0.313 nan 8.270 nan 0.000 0.434 375 D N -0.884 119.512 120.400 -0.005 0.000 2.178 375 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 375 D C 0.930 177.087 176.300 -0.238 0.000 0.974 375 D CA 1.262 55.202 54.000 -0.100 0.000 0.841 375 D CB 0.004 40.754 40.800 -0.083 0.000 0.953 375 D HN 0.384 nan 8.370 nan 0.000 0.478 376 Y N -0.191 120.071 120.300 -0.062 0.000 2.453 376 Y HA 0.409 4.959 4.550 -0.000 0.000 0.247 376 Y C 2.030 177.843 175.900 -0.145 0.000 1.124 376 Y CA -0.205 57.855 58.100 -0.066 0.000 1.243 376 Y CB 0.071 38.504 38.460 -0.045 0.000 1.213 376 Y HN -0.138 nan 8.280 nan 0.000 0.523 377 A N 0.286 123.013 122.820 -0.156 0.000 1.971 377 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 377 A C 1.155 178.264 177.584 -0.791 0.000 1.182 377 A CA 2.190 53.888 52.037 -0.566 0.000 0.649 377 A CB -0.915 17.553 19.000 -0.886 0.000 0.818 377 A HN 0.437 nan 8.150 nan 0.000 0.458 378 F N -1.528 118.438 119.950 0.026 0.000 2.683 378 F HA 0.264 4.791 4.527 -0.000 0.000 0.306 378 F C 1.456 177.260 175.800 0.007 0.000 1.102 378 F CA 0.019 58.024 58.000 0.009 0.000 1.244 378 F CB 0.157 39.142 39.000 -0.026 0.000 1.029 378 F HN 0.198 nan 8.300 nan 0.000 0.545 379 K N 1.591 122.058 120.400 0.112 0.000 2.103 379 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 379 K C 1.884 178.546 176.600 0.103 0.000 1.048 379 K CA 1.806 58.146 56.287 0.088 0.000 0.930 379 K CB -0.070 32.484 32.500 0.091 0.000 0.716 379 K HN 0.218 nan 8.250 nan 0.000 0.444 380 A N -0.317 122.571 122.820 0.112 0.000 2.197 380 A HA 0.195 4.515 4.320 -0.000 0.000 0.210 380 A C 0.558 178.222 177.584 0.133 0.000 1.180 380 A CA 0.365 52.468 52.037 0.111 0.000 0.846 380 A CB 0.282 19.344 19.000 0.103 0.000 0.884 380 A HN 0.302 nan 8.150 nan 0.000 0.487 381 S N -1.455 114.345 115.700 0.167 0.000 2.552 381 S HA 0.474 4.944 4.470 -0.000 0.000 0.272 381 S C -2.812 171.929 174.600 0.235 0.000 1.150 381 S CA -0.370 57.949 58.200 0.198 0.000 0.849 381 S CB 1.753 65.120 63.200 0.277 0.000 1.113 381 S HN -0.074 nan 8.310 nan 0.000 0.458 382 P HA 0.154 nan 4.420 nan 0.000 0.239 382 P C -0.003 177.141 177.300 -0.259 0.000 1.188 382 P CA 0.261 63.233 63.100 -0.214 0.000 0.794 382 P CB -0.121 31.270 31.700 -0.514 0.000 0.937 383 Y N 2.601 123.008 120.300 0.180 0.000 2.457 383 Y HA 0.156 4.706 4.550 -0.000 0.000 0.341 383 Y C -1.345 174.764 175.900 0.347 0.000 1.240 383 Y CA -2.609 55.565 58.100 0.124 0.000 1.437 383 Y CB -1.188 37.288 38.460 0.025 0.000 1.328 383 Y HN -0.020 nan 8.280 nan 0.000 0.588 384 P HA -0.056 nan 4.420 nan 0.000 0.264 384 P C -0.622 176.915 177.300 0.394 0.000 1.183 384 P CA 0.274 63.608 63.100 0.390 0.000 0.763 384 P CB 0.639 32.461 31.700 0.203 0.000 0.807 385 V N 5.476 125.538 119.914 0.247 0.000 2.472 385 V HA 0.340 4.460 4.120 -0.000 0.000 0.290 385 V C 0.676 176.835 176.094 0.109 0.000 1.037 385 V CA -0.586 61.764 62.300 0.084 0.000 0.908 385 V CB 1.234 32.990 31.823 -0.111 0.000 0.985 385 V HN 0.383 nan 8.190 nan 0.000 0.454 386 I N 5.714 126.336 120.570 0.088 0.000 2.378 386 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 386 I C -0.679 175.477 176.117 0.066 0.000 0.992 386 I CA -0.449 60.912 61.300 0.101 0.000 1.154 386 I CB 1.632 39.708 38.000 0.127 0.000 1.315 386 I HN 0.299 nan 8.210 nan 0.000 0.448 387 L N 5.269 126.534 121.223 0.070 0.000 2.280 387 L HA 0.355 4.695 4.340 -0.000 0.000 0.287 387 L C 0.184 177.100 176.870 0.077 0.000 1.023 387 L CA -0.289 54.587 54.840 0.060 0.000 0.819 387 L CB 1.664 43.745 42.059 0.037 0.000 1.212 387 L HN 0.526 nan 8.230 nan 0.000 0.420 388 S N 4.729 120.477 115.700 0.081 0.000 2.411 388 S HA 0.501 4.971 4.470 -0.000 0.000 0.294 388 S C -0.250 174.397 174.600 0.078 0.000 1.115 388 S CA -0.566 57.681 58.200 0.077 0.000 1.071 388 S CB 0.054 63.300 63.200 0.076 0.000 0.967 388 S HN 0.372 nan 8.310 nan 0.000 0.488 389 L N 4.770 126.028 121.223 0.058 0.000 2.264 389 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 389 L C 0.666 177.518 176.870 -0.030 0.000 1.044 389 L CA -0.246 54.621 54.840 0.045 0.000 0.807 389 L CB 1.105 43.191 42.059 0.046 0.000 1.192 389 L HN 0.621 nan 8.230 nan 0.000 0.425 390 E N 3.664 123.834 120.200 -0.050 0.000 2.490 390 E HA 0.049 4.399 4.350 -0.000 0.000 0.232 390 E C -0.317 176.055 176.600 -0.379 0.000 1.091 390 E CA -0.568 55.734 56.400 -0.164 0.000 1.050 390 E CB 0.387 30.063 29.700 -0.040 0.000 1.342 390 E HN 0.445 nan 8.360 nan 0.000 0.454 391 N N 1.998 120.466 118.700 -0.385 0.000 2.417 391 N HA -0.101 4.639 4.740 -0.000 0.000 0.272 391 N C -0.356 174.717 175.510 -0.728 0.000 1.304 391 N CA 0.660 53.433 53.050 -0.461 0.000 0.906 391 N CB 0.292 38.600 38.487 -0.298 0.000 1.135 391 N HN 0.467 nan 8.380 nan 0.000 0.483 392 H N 1.678 120.358 119.070 -0.650 0.000 2.581 392 H HA 0.192 4.748 4.556 -0.000 0.000 0.275 392 H C -0.030 175.040 175.328 -0.431 0.000 1.126 392 H CA -0.431 55.171 56.048 -0.744 0.000 1.097 392 H CB 0.085 28.751 29.762 -1.826 0.000 1.626 392 H HN 0.389 nan 8.280 nan 0.000 0.565 393 C N 2.658 121.805 119.300 -0.254 0.000 2.539 393 C HA 0.245 4.705 4.460 -0.000 0.000 0.392 393 C C 1.499 176.427 174.990 -0.103 0.000 1.269 393 C CA -0.286 58.642 59.018 -0.149 0.000 2.250 393 C CB 0.675 28.303 27.740 -0.187 0.000 2.584 393 C HN 0.651 nan 8.230 nan 0.000 0.589 394 S N 3.109 118.776 115.700 -0.055 0.000 2.598 394 S HA 0.141 4.611 4.470 -0.000 0.000 0.256 394 S C 1.046 175.608 174.600 -0.063 0.000 1.350 394 S CA -0.219 57.956 58.200 -0.041 0.000 0.984 394 S CB 0.219 63.408 63.200 -0.019 0.000 0.930 394 S HN 0.643 nan 8.310 nan 0.000 0.577 395 L N 0.011 121.203 121.223 -0.051 0.000 2.056 395 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 395 L C 3.000 179.833 176.870 -0.061 0.000 1.078 395 L CA 1.745 56.550 54.840 -0.057 0.000 0.749 395 L CB -0.715 41.317 42.059 -0.045 0.000 0.901 395 L HN 0.772 nan 8.230 nan 0.000 0.433 396 E N 0.519 120.688 120.200 -0.050 0.000 2.031 396 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 396 E C 2.163 178.722 176.600 -0.068 0.000 0.994 396 E CA 1.546 57.915 56.400 -0.051 0.000 0.800 396 E CB -0.128 29.550 29.700 -0.037 0.000 0.752 396 E HN 0.380 nan 8.360 nan 0.000 0.447 397 Q N -0.241 119.518 119.800 -0.069 0.000 2.226 397 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 397 Q C 2.271 178.184 176.000 -0.146 0.000 0.975 397 Q CA 1.185 56.934 55.803 -0.089 0.000 0.866 397 Q CB -0.081 28.618 28.738 -0.066 0.000 0.915 397 Q HN 0.480 nan 8.270 nan 0.000 0.440 398 Q N 0.212 119.929 119.800 -0.139 0.000 2.084 398 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 398 Q C 2.036 177.951 176.000 -0.142 0.000 0.978 398 Q CA 0.998 56.703 55.803 -0.164 0.000 0.844 398 Q CB -0.017 28.643 28.738 -0.130 0.000 0.898 398 Q HN 0.280 nan 8.270 nan 0.000 0.426 399 R N -0.235 120.199 120.500 -0.110 0.000 2.092 399 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 399 R C 2.310 178.537 176.300 -0.121 0.000 1.119 399 R CA 0.985 57.028 56.100 -0.096 0.000 0.970 399 R CB -0.146 30.107 30.300 -0.078 0.000 0.864 399 R HN 0.088 nan 8.270 nan 0.000 0.440 400 V N 1.299 121.129 119.914 -0.140 0.000 2.295 400 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 400 V C 2.320 178.297 176.094 -0.195 0.000 1.049 400 V CA 1.811 63.989 62.300 -0.204 0.000 1.024 400 V CB -0.384 31.356 31.823 -0.138 0.000 0.648 400 V HN 0.333 nan 8.190 nan 0.000 0.447 401 M N -0.025 119.471 119.600 -0.175 0.000 2.073 401 M HA -0.247 4.233 4.480 -0.000 0.000 0.258 401 M C 2.410 178.750 176.300 0.067 0.000 1.070 401 M CA 2.488 57.660 55.300 -0.214 0.000 1.103 401 M CB -0.690 31.579 32.600 -0.550 0.000 1.321 401 M HN 0.406 nan 8.290 nan 0.000 0.405 402 A N -0.006 122.802 122.820 -0.020 0.000 1.940 402 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 402 A C 2.122 179.724 177.584 0.029 0.000 1.176 402 A CA 1.782 53.831 52.037 0.021 0.000 0.631 402 A CB -0.665 18.322 19.000 -0.022 0.000 0.814 402 A HN 0.441 nan 8.150 nan 0.000 0.446 403 R N -1.564 118.914 120.500 -0.038 0.000 2.073 403 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 403 R C 2.253 178.559 176.300 0.011 0.000 1.134 403 R CA 1.510 57.569 56.100 -0.068 0.000 0.952 403 R CB -0.438 29.749 30.300 -0.188 0.000 0.850 403 R HN 0.626 nan 8.270 nan 0.000 0.433 404 H N 0.656 119.790 119.070 0.106 0.000 2.352 404 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 404 H C 2.213 177.603 175.328 0.103 0.000 1.097 404 H CA 1.424 57.550 56.048 0.130 0.000 1.311 404 H CB -0.361 29.558 29.762 0.263 0.000 1.377 404 H HN 0.145 nan 8.280 nan 0.000 0.504 405 L N 0.047 121.438 121.223 0.280 0.000 1.989 405 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 405 L C 2.920 179.847 176.870 0.096 0.000 1.071 405 L CA 1.484 56.422 54.840 0.163 0.000 0.749 405 L CB -0.315 41.847 42.059 0.172 0.000 0.890 405 L HN 0.120 nan 8.230 nan 0.000 0.431 406 R N -0.609 119.942 120.500 0.085 0.000 2.073 406 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 406 R C 2.364 178.695 176.300 0.052 0.000 1.134 406 R CA 1.426 57.558 56.100 0.054 0.000 0.952 406 R CB -0.353 29.969 30.300 0.035 0.000 0.850 406 R HN 0.392 nan 8.270 nan 0.000 0.433 407 A N 0.772 123.632 122.820 0.066 0.000 1.858 407 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 407 A C 2.111 179.729 177.584 0.057 0.000 1.190 407 A CA 1.488 53.563 52.037 0.063 0.000 0.617 407 A CB -0.513 18.540 19.000 0.088 0.000 0.827 407 A HN 0.288 nan 8.150 nan 0.000 0.443 408 I N -1.129 119.480 120.570 0.065 0.000 2.235 408 I HA -0.141 4.029 4.170 -0.000 0.000 0.241 408 I C 2.133 178.260 176.117 0.016 0.000 1.085 408 I CA 0.660 61.977 61.300 0.028 0.000 1.378 408 I CB -0.314 37.684 38.000 -0.003 0.000 1.076 408 I HN 0.177 nan 8.210 nan 0.000 0.415 409 L N 0.694 121.929 121.223 0.021 0.000 2.141 409 L HA 0.064 4.404 4.340 -0.000 0.000 0.209 409 L C 1.733 178.625 176.870 0.037 0.000 1.094 409 L CA 1.535 56.391 54.840 0.027 0.000 0.763 409 L CB -1.717 40.361 42.059 0.032 0.000 0.908 409 L HN 0.471 nan 8.230 nan 0.000 0.437 410 G N 0.229 109.050 108.800 0.035 0.000 2.611 410 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.301 410 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.301 410 G C -1.274 173.645 174.900 0.031 0.000 1.233 410 G CA 0.323 45.441 45.100 0.029 0.000 0.993 410 G HN 0.254 nan 8.290 nan 0.000 0.553 411 P HA 0.083 nan 4.420 nan 0.000 0.230 411 P C 1.971 179.289 177.300 0.030 0.000 1.158 411 P CA 1.323 64.436 63.100 0.020 0.000 0.769 411 P CB -0.053 31.651 31.700 0.007 0.000 0.807 412 I N -0.765 119.835 120.570 0.050 0.000 2.394 412 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 412 I C 1.375 177.550 176.117 0.096 0.000 1.136 412 I CA 0.152 61.504 61.300 0.087 0.000 1.425 412 I CB -0.470 37.621 38.000 0.152 0.000 1.079 412 I HN -0.039 nan 8.210 nan 0.000 0.425 413 L N 1.991 123.260 121.223 0.076 0.000 2.499 413 L HA 0.103 4.443 4.340 -0.000 0.000 0.273 413 L C -0.280 176.632 176.870 0.071 0.000 1.195 413 L CA 0.244 55.129 54.840 0.075 0.000 0.882 413 L CB 0.406 42.500 42.059 0.059 0.000 1.133 413 L HN 0.055 nan 8.230 nan 0.000 0.483 414 L N 5.614 126.890 121.223 0.088 0.000 2.268 414 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 414 L C 0.044 176.953 176.870 0.066 0.000 1.064 414 L CA 0.125 55.019 54.840 0.090 0.000 0.824 414 L CB 0.301 42.444 42.059 0.139 0.000 1.202 414 L HN 0.836 nan 8.230 nan 0.000 0.433 415 D N 2.461 122.885 120.400 0.040 0.000 2.440 415 D HA 0.162 4.802 4.640 -0.000 0.000 0.216 415 D C -0.192 176.100 176.300 -0.012 0.000 1.150 415 D CA -0.067 53.941 54.000 0.013 0.000 0.832 415 D CB 0.374 41.181 40.800 0.012 0.000 0.992 415 D HN 0.392 nan 8.370 nan 0.000 0.502 416 Q N 0.540 120.336 119.800 -0.007 0.000 2.435 416 Q HA 0.347 4.687 4.340 -0.000 0.000 0.282 416 Q C -2.870 173.118 176.000 -0.020 0.000 1.020 416 Q CA -1.495 54.289 55.803 -0.030 0.000 0.820 416 Q CB 2.875 31.609 28.738 -0.006 0.000 1.436 416 Q HN 0.031 nan 8.270 nan 0.000 0.395 417 P HA 0.154 nan 4.420 nan 0.000 0.271 417 P C -0.120 177.269 177.300 0.147 0.000 1.218 417 P CA -0.119 62.975 63.100 -0.011 0.000 0.780 417 P CB 0.716 32.377 31.700 -0.065 0.000 0.901 418 L N 1.771 123.181 121.223 0.312 0.000 2.439 418 L HA 0.112 4.452 4.340 -0.000 0.000 0.269 418 L C 0.820 177.766 176.870 0.127 0.000 1.179 418 L CA 0.012 54.960 54.840 0.180 0.000 0.828 418 L CB -0.100 42.045 42.059 0.144 0.000 1.106 418 L HN 0.318 nan 8.230 nan 0.000 0.467 419 D N 1.059 121.502 120.400 0.072 0.000 2.343 419 D HA 0.379 5.019 4.640 -0.000 0.000 0.255 419 D C 0.788 177.114 176.300 0.045 0.000 1.187 419 D CA 1.463 55.494 54.000 0.052 0.000 0.875 419 D CB 1.055 41.873 40.800 0.031 0.000 1.136 419 D HN 0.705 nan 8.370 nan 0.000 0.469 420 G N 1.908 110.738 108.800 0.050 0.000 2.258 420 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.233 420 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.233 420 G C 0.446 175.370 174.900 0.040 0.000 1.006 420 G CA -0.082 45.039 45.100 0.036 0.000 0.620 420 G HN 0.541 nan 8.290 nan 0.000 0.511 421 V N 3.165 123.120 119.914 0.068 0.000 2.393 421 V HA 0.404 4.524 4.120 -0.000 0.000 0.257 421 V C 1.582 177.772 176.094 0.160 0.000 1.040 421 V CA 1.828 64.171 62.300 0.071 0.000 1.097 421 V CB 0.302 32.206 31.823 0.135 0.000 1.101 421 V HN 0.832 nan 8.190 nan 0.000 0.479 422 T N -0.594 114.012 114.554 0.086 0.000 3.057 422 T HA -0.018 4.332 4.350 -0.000 0.000 0.254 422 T C 1.370 176.208 174.700 0.230 0.000 0.965 422 T CA 0.633 62.844 62.100 0.186 0.000 0.978 422 T CB 0.364 69.307 68.868 0.124 0.000 1.169 422 T HN 0.593 nan 8.240 nan 0.000 0.489 423 T N -1.109 113.430 114.554 -0.026 0.000 3.010 423 T HA 0.514 4.864 4.350 -0.000 0.000 0.257 423 T C 0.530 174.892 174.700 -0.564 0.000 1.020 423 T CA -0.239 61.840 62.100 -0.035 0.000 0.938 423 T CB 0.311 69.200 68.868 0.035 0.000 1.049 423 T HN 0.255 nan 8.240 nan 0.000 0.522 424 S N -0.154 114.940 115.700 -1.010 0.000 2.651 424 S HA 0.700 5.170 4.470 -0.000 0.000 0.279 424 S C -0.797 173.116 174.600 -1.145 0.000 1.148 424 S CA -0.869 56.698 58.200 -1.054 0.000 0.837 424 S CB 1.385 64.320 63.200 -0.442 0.000 1.138 424 S HN 0.347 nan 8.310 nan 0.000 0.478 425 L N 2.947 123.826 121.223 -0.573 0.000 2.464 425 L HA 0.335 4.675 4.340 -0.000 0.000 0.264 425 L C -1.875 174.786 176.870 -0.348 0.000 1.199 425 L CA -1.475 53.212 54.840 -0.256 0.000 0.818 425 L CB 0.227 42.285 42.059 -0.002 0.000 1.102 425 L HN 0.432 nan 8.230 nan 0.000 0.473 426 P HA 0.095 nan 4.420 nan 0.000 0.277 426 P C -0.954 176.202 177.300 -0.239 0.000 1.276 426 P CA -0.518 62.383 63.100 -0.331 0.000 0.788 426 P CB 0.564 32.029 31.700 -0.391 0.000 1.114 427 S N -1.645 113.934 115.700 -0.200 0.000 2.687 427 S HA 0.418 4.888 4.470 -0.000 0.000 0.283 427 S C -1.986 172.446 174.600 -0.281 0.000 1.170 427 S CA -1.377 56.704 58.200 -0.197 0.000 1.008 427 S CB 0.742 63.856 63.200 -0.142 0.000 1.026 427 S HN 0.146 nan 8.310 nan 0.000 0.541 428 P HA -0.059 nan 4.420 nan 0.000 0.217 428 P C 1.469 178.685 177.300 -0.140 0.000 1.150 428 P CA 1.010 63.747 63.100 -0.604 0.000 0.832 428 P CB 0.069 30.992 31.700 -1.294 0.000 0.787 429 E N -0.110 120.032 120.200 -0.097 0.000 2.058 429 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 429 E C 2.058 178.636 176.600 -0.037 0.000 0.997 429 E CA 1.390 57.811 56.400 0.035 0.000 0.801 429 E CB -0.620 29.081 29.700 0.002 0.000 0.746 429 E HN 0.396 nan 8.360 nan 0.000 0.450 430 Q N -0.259 119.494 119.800 -0.078 0.000 2.234 430 Q HA -0.067 4.273 4.340 -0.000 0.000 0.206 430 Q C 1.737 177.696 176.000 -0.068 0.000 0.980 430 Q CA 0.766 56.524 55.803 -0.076 0.000 0.869 430 Q CB 0.037 28.717 28.738 -0.096 0.000 0.912 430 Q HN 0.209 nan 8.270 nan 0.000 0.436 431 L N 0.099 121.276 121.223 -0.076 0.000 2.769 431 L HA 0.155 4.495 4.340 -0.000 0.000 0.240 431 L C 0.100 176.946 176.870 -0.040 0.000 1.163 431 L CA -0.318 54.497 54.840 -0.042 0.000 0.962 431 L CB 0.278 42.314 42.059 -0.038 0.000 1.258 431 L HN -0.061 nan 8.230 nan 0.000 0.513 432 K N 1.156 121.506 120.400 -0.084 0.000 2.530 432 K HA 0.027 4.347 4.320 -0.000 0.000 0.280 432 K C 1.214 177.645 176.600 -0.282 0.000 1.004 432 K CA 1.092 57.263 56.287 -0.194 0.000 1.071 432 K CB 0.337 32.688 32.500 -0.247 0.000 0.876 432 K HN 0.347 nan 8.250 nan 0.000 0.487 433 G N 2.374 110.861 108.800 -0.521 0.000 2.162 433 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 433 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 433 G C -0.050 174.636 174.900 -0.357 0.000 0.976 433 G CA 0.314 44.879 45.100 -0.892 0.000 0.655 433 G HN 0.435 nan 8.290 nan 0.000 0.533 434 K N -0.150 120.250 120.400 -0.001 0.000 2.139 434 K HA 0.789 5.109 4.320 -0.000 0.000 0.243 434 K C 0.266 177.075 176.600 0.349 0.000 0.983 434 K CA -1.027 55.359 56.287 0.166 0.000 0.890 434 K CB 1.395 33.960 32.500 0.108 0.000 1.090 434 K HN 0.219 nan 8.250 nan 0.000 0.445 435 I N 3.418 124.136 120.570 0.246 0.000 2.418 435 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 435 I C -0.384 175.821 176.117 0.146 0.000 1.008 435 I CA -0.954 60.455 61.300 0.182 0.000 1.104 435 I CB 1.137 39.208 38.000 0.117 0.000 1.264 435 I HN 0.316 nan 8.210 nan 0.000 0.438 436 L N 5.265 126.578 121.223 0.149 0.000 2.342 436 L HA 0.718 5.058 4.340 -0.000 0.000 0.271 436 L C -1.118 175.829 176.870 0.128 0.000 1.008 436 L CA -0.924 54.007 54.840 0.152 0.000 0.818 436 L CB 1.719 43.903 42.059 0.209 0.000 1.296 436 L HN 0.399 nan 8.230 nan 0.000 0.427 437 L N 2.579 123.869 121.223 0.113 0.000 2.325 437 L HA 0.573 4.913 4.340 -0.000 0.000 0.279 437 L C 0.012 176.941 176.870 0.099 0.000 1.054 437 L CA -0.469 54.427 54.840 0.093 0.000 0.804 437 L CB 1.391 43.494 42.059 0.073 0.000 1.200 437 L HN 0.656 nan 8.230 nan 0.000 0.436 438 K N 1.937 122.391 120.400 0.089 0.000 2.345 438 K HA 0.790 5.110 4.320 -0.000 0.000 0.255 438 K C -0.737 175.893 176.600 0.052 0.000 0.934 438 K CA -0.245 56.094 56.287 0.088 0.000 0.801 438 K CB 2.149 34.712 32.500 0.105 0.000 1.137 438 K HN 0.851 nan 8.250 nan 0.000 0.424 439 G N 2.500 111.319 108.800 0.031 0.000 2.320 439 G HA2 0.136 4.096 3.960 -0.000 0.000 0.296 439 G HA3 0.136 4.096 3.960 -0.000 0.000 0.296 439 G C -1.550 173.335 174.900 -0.026 0.000 1.306 439 G CA -0.858 44.236 45.100 -0.010 0.000 0.836 439 G HN 0.402 nan 8.290 nan 0.000 0.517 440 K N 0.537 120.901 120.400 -0.061 0.000 2.350 440 K HA 0.293 4.613 4.320 -0.000 0.000 0.279 440 K C -0.235 176.335 176.600 -0.050 0.000 1.027 440 K CA 0.013 56.260 56.287 -0.068 0.000 0.969 440 K CB 1.513 33.956 32.500 -0.095 0.000 0.954 440 K HN 0.473 nan 8.250 nan 0.000 0.474 441 K N 3.622 124.000 120.400 -0.037 0.000 2.316 441 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 441 K C -0.039 176.541 176.600 -0.033 0.000 0.934 441 K CA -0.649 55.618 56.287 -0.033 0.000 0.802 441 K CB 1.078 33.564 32.500 -0.023 0.000 1.171 441 K HN 0.432 nan 8.250 nan 0.000 0.426 488 L N 2.047 123.235 121.223 -0.058 0.000 2.491 488 L HA 0.544 4.884 4.340 -0.000 0.000 0.267 488 L C -0.649 176.186 176.870 -0.059 0.000 0.971 488 L CA -0.969 53.830 54.840 -0.068 0.000 0.857 488 L CB 1.529 43.546 42.059 -0.070 0.000 1.226 488 L HN 0.021 nan 8.230 nan 0.000 0.408 489 V N 3.852 123.728 119.914 -0.063 0.000 2.872 489 V HA 0.375 4.495 4.120 -0.000 0.000 0.307 489 V C -1.865 174.199 176.094 -0.051 0.000 1.072 489 V CA -0.463 61.804 62.300 -0.055 0.000 1.148 489 V CB 0.443 32.231 31.823 -0.058 0.000 0.954 489 V HN 0.805 nan 8.190 nan 0.000 0.490 490 P HA -0.018 nan 4.420 nan 0.000 0.219 490 P C 1.440 178.716 177.300 -0.039 0.000 1.150 490 P CA 1.235 64.311 63.100 -0.040 0.000 0.814 490 P CB 0.221 31.900 31.700 -0.036 0.000 0.787 491 E N -0.545 119.631 120.200 -0.039 0.000 2.070 491 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 491 E C 1.972 178.553 176.600 -0.031 0.000 1.004 491 E CA 1.163 57.543 56.400 -0.035 0.000 0.805 491 E CB -0.905 28.772 29.700 -0.039 0.000 0.744 491 E HN 0.203 nan 8.360 nan 0.000 0.451 492 L N -0.380 120.819 121.223 -0.040 0.000 2.034 492 L HA -0.114 4.226 4.340 -0.000 0.000 0.203 492 L C 2.522 179.372 176.870 -0.034 0.000 1.074 492 L CA 1.043 55.862 54.840 -0.036 0.000 0.748 492 L CB -0.500 41.524 42.059 -0.058 0.000 0.905 492 L HN 0.157 nan 8.230 nan 0.000 0.439 493 S N -0.093 115.581 115.700 -0.043 0.000 2.392 493 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 493 S C 1.461 176.035 174.600 -0.044 0.000 1.041 493 S CA 1.915 60.089 58.200 -0.044 0.000 1.026 493 S CB -0.313 62.858 63.200 -0.047 0.000 0.845 493 S HN 0.413 nan 8.310 nan 0.000 0.465 494 D N 0.420 120.795 120.400 -0.042 0.000 2.348 494 D HA 0.034 4.674 4.640 -0.000 0.000 0.216 494 D C 1.496 177.769 176.300 -0.045 0.000 0.970 494 D CA 0.637 54.608 54.000 -0.048 0.000 0.889 494 D CB -0.202 40.572 40.800 -0.043 0.000 0.912 494 D HN 0.511 nan 8.370 nan 0.000 0.524 495 M N 0.099 119.682 119.600 -0.028 0.000 2.541 495 M HA 0.034 4.514 4.480 -0.000 0.000 0.252 495 M C 0.148 176.440 176.300 -0.014 0.000 1.125 495 M CA 0.289 55.581 55.300 -0.013 0.000 1.091 495 M CB 0.662 33.269 32.600 0.010 0.000 1.420 495 M HN -0.196 nan 8.290 nan 0.000 0.486 496 I N 1.651 122.205 120.570 -0.027 0.000 2.363 496 I HA 0.039 4.209 4.170 -0.000 0.000 0.292 496 I C 0.804 176.875 176.117 -0.075 0.000 1.075 496 I CA 0.208 61.495 61.300 -0.021 0.000 1.333 496 I CB 0.085 38.076 38.000 -0.016 0.000 1.415 496 I HN 0.185 nan 8.210 nan 0.000 0.502 497 I N 5.399 125.911 120.570 -0.096 0.000 3.393 497 I HA -0.034 4.136 4.170 -0.000 0.000 0.250 497 I C 1.265 177.173 176.117 -0.347 0.000 1.122 497 I CA 1.021 62.138 61.300 -0.306 0.000 1.484 497 I CB -0.713 37.017 38.000 -0.450 0.000 1.468 497 I HN 0.391 nan 8.210 nan 0.000 0.461 498 Y N 0.575 120.949 120.300 0.123 0.000 2.467 498 Y HA 0.237 4.787 4.550 -0.000 0.000 0.250 498 Y C 0.824 176.861 175.900 0.228 0.000 1.155 498 Y CA -0.415 57.817 58.100 0.220 0.000 1.249 498 Y CB 0.225 38.833 38.460 0.246 0.000 1.146 498 Y HN 0.117 nan 8.280 nan 0.000 0.524 499 C N 1.559 121.024 119.300 0.274 0.000 3.273 499 C HA 0.262 4.722 4.460 -0.000 0.000 0.227 499 C C 0.202 175.281 174.990 0.149 0.000 1.409 499 C CA -1.472 57.678 59.018 0.220 0.000 1.516 499 C CB -1.032 26.830 27.740 0.203 0.000 1.853 499 C HN 0.158 nan 8.230 nan 0.000 0.472 500 K N 1.624 122.118 120.400 0.157 0.000 2.349 500 K HA 0.216 4.536 4.320 -0.000 0.000 0.289 500 K C 0.308 176.949 176.600 0.068 0.000 1.064 500 K CA 0.279 56.627 56.287 0.102 0.000 0.947 500 K CB 0.570 33.151 32.500 0.136 0.000 1.007 500 K HN 0.489 nan 8.250 nan 0.000 0.478 501 S N 2.741 118.455 115.700 0.023 0.000 2.525 501 S HA 0.125 4.595 4.470 -0.000 0.000 0.285 501 S C -0.584 173.978 174.600 -0.062 0.000 1.283 501 S CA -0.391 57.798 58.200 -0.019 0.000 1.072 501 S CB 0.349 63.513 63.200 -0.061 0.000 0.867 501 S HN 0.419 nan 8.310 nan 0.000 0.492 502 V N 5.080 124.955 119.914 -0.065 0.000 3.049 502 V HA 0.372 4.492 4.120 -0.000 0.000 0.309 502 V C -0.880 175.147 176.094 -0.112 0.000 1.148 502 V CA -0.942 61.307 62.300 -0.084 0.000 0.990 502 V CB 2.240 34.072 31.823 0.015 0.000 1.039 502 V HN 0.808 nan 8.190 nan 0.000 0.430 503 H N 2.166 121.238 119.070 0.003 0.000 2.548 503 H HA 0.299 4.855 4.556 -0.000 0.000 0.331 503 H C -0.365 174.965 175.328 0.004 0.000 1.093 503 H CA -0.367 55.671 56.048 -0.015 0.000 1.367 503 H CB 1.153 30.898 29.762 -0.028 0.000 1.455 503 H HN 0.515 nan 8.280 nan 0.000 0.519 504 F N 2.912 122.820 119.950 -0.069 0.000 2.571 504 F HA 0.094 4.621 4.527 -0.000 0.000 0.390 504 F C 1.099 176.844 175.800 -0.091 0.000 1.043 504 F CA -0.081 57.836 58.000 -0.138 0.000 1.164 504 F CB 0.220 39.061 39.000 -0.265 0.000 1.049 504 F HN 0.614 nan 8.300 nan 0.000 0.552 505 G N 3.700 112.095 108.800 -0.674 0.000 2.624 505 G HA2 0.433 4.393 3.960 -0.000 0.000 0.216 505 G HA3 0.433 4.393 3.960 -0.000 0.000 0.216 505 G C 0.404 174.474 174.900 -1.384 0.000 1.274 505 G CA 0.509 45.182 45.100 -0.712 0.000 0.856 505 G HN 1.199 nan 8.290 nan 0.000 0.555 506 G N -1.993 105.886 108.800 -1.534 0.000 2.349 506 G HA2 0.451 4.411 3.960 -0.000 0.000 0.294 506 G HA3 0.451 4.411 3.960 -0.000 0.000 0.294 506 G C -1.624 172.999 174.900 -0.462 0.000 1.380 506 G CA -0.979 43.327 45.100 -1.323 0.000 0.811 506 G HN 0.155 nan 8.290 nan 0.000 0.519 507 F N 0.813 120.800 119.950 0.062 0.000 2.397 507 F HA 0.762 5.289 4.527 -0.000 0.000 0.331 507 F C 1.303 177.150 175.800 0.079 0.000 1.090 507 F CA -0.171 57.907 58.000 0.131 0.000 1.065 507 F CB 1.976 41.062 39.000 0.143 0.000 1.184 507 F HN 0.712 nan 8.300 nan 0.000 0.499 508 S N -0.023 115.855 115.700 0.297 0.000 3.576 508 S HA 0.590 5.060 4.470 -0.000 0.000 0.179 508 S C 0.561 175.257 174.600 0.161 0.000 0.977 508 S CA 0.694 58.997 58.200 0.172 0.000 1.189 508 S CB 0.820 64.089 63.200 0.116 0.000 1.443 508 S HN 0.871 nan 8.310 nan 0.000 0.874 509 S N 0.790 116.575 115.700 0.141 0.000 7.100 509 S HA 0.204 4.674 4.470 -0.000 0.000 0.056 509 S C -2.320 172.341 174.600 0.102 0.000 1.415 509 S CA 0.559 58.829 58.200 0.117 0.000 1.147 509 S CB -1.420 61.836 63.200 0.094 0.000 1.362 509 S HN 0.704 nan 8.310 nan 0.000 0.538 510 P HA 0.422 nan 4.420 nan 0.000 0.296 510 P C 0.585 177.934 177.300 0.082 0.000 1.295 510 P CA 0.677 63.822 63.100 0.076 0.000 0.754 510 P CB -0.489 31.247 31.700 0.061 0.000 1.311 511 G N -0.587 108.257 108.800 0.074 0.000 3.401 511 G HA2 0.382 4.342 3.960 -0.000 0.000 0.251 511 G HA3 0.382 4.342 3.960 -0.000 0.000 0.251 511 G C 0.293 175.229 174.900 0.059 0.000 0.960 511 G CA 0.051 45.196 45.100 0.074 0.000 1.900 511 G HN 0.780 nan 8.290 nan 0.000 0.645 512 T N -3.965 110.625 114.554 0.060 0.000 2.742 512 T HA 0.494 4.844 4.350 -0.000 0.000 0.282 512 T C 1.547 176.274 174.700 0.045 0.000 1.025 512 T CA 0.300 62.426 62.100 0.044 0.000 1.020 512 T CB 1.099 69.992 68.868 0.041 0.000 1.317 512 T HN -0.035 nan 8.240 nan 0.000 0.538 513 S N 0.630 116.341 115.700 0.020 0.000 2.565 513 S HA -0.210 4.260 4.470 -0.000 0.000 0.310 513 S C 1.545 176.169 174.600 0.040 0.000 1.244 513 S CA 2.074 60.272 58.200 -0.004 0.000 1.170 513 S CB -1.602 61.566 63.200 -0.054 0.000 1.179 513 S HN 1.331 nan 8.310 nan 0.000 0.441 514 G N 3.630 112.501 108.800 0.118 0.000 2.635 514 G HA2 0.282 4.242 3.960 -0.000 0.000 0.289 514 G HA3 0.282 4.242 3.960 -0.000 0.000 0.289 514 G C 0.138 175.186 174.900 0.246 0.000 0.705 514 G CA -0.035 45.230 45.100 0.276 0.000 2.034 514 G HN 0.723 nan 8.290 nan 0.000 0.519 515 Q N 0.143 120.070 119.800 0.211 0.000 2.685 515 Q HA -0.008 4.332 4.340 -0.000 0.000 0.388 515 Q C 0.618 176.607 176.000 -0.019 0.000 1.571 515 Q CA 0.733 56.597 55.803 0.101 0.000 0.883 515 Q CB -0.103 28.723 28.738 0.147 0.000 1.315 515 Q HN 0.766 nan 8.270 nan 0.000 0.567 516 A N 1.258 123.926 122.820 -0.254 0.000 2.351 516 A HA 0.422 4.742 4.320 -0.000 0.000 0.257 516 A C 0.500 177.780 177.584 -0.507 0.000 1.087 516 A CA -0.126 51.585 52.037 -0.543 0.000 0.798 516 A CB -0.213 18.042 19.000 -1.243 0.000 1.033 516 A HN 0.975 nan 8.150 nan 0.000 0.488 517 F N 0.354 120.157 119.950 -0.244 0.000 2.236 517 F HA -0.225 4.302 4.527 -0.000 0.000 0.302 517 F C 1.192 176.997 175.800 0.009 0.000 1.073 517 F CA 1.470 59.441 58.000 -0.048 0.000 1.336 517 F CB -1.151 37.892 39.000 0.071 0.000 1.040 517 F HN 0.570 nan 8.300 nan 0.000 0.507 518 Y N -0.120 119.954 120.300 -0.376 0.000 2.583 518 Y HA 0.553 5.103 4.550 -0.000 0.000 0.294 518 Y C -0.425 175.470 175.900 -0.009 0.000 1.170 518 Y CA -1.554 56.491 58.100 -0.091 0.000 1.265 518 Y CB -1.381 36.899 38.460 -0.300 0.000 1.119 518 Y HN 0.157 nan 8.280 nan 0.000 0.522 519 E N 1.943 122.030 120.200 -0.189 0.000 2.187 519 E HA 0.447 4.796 4.350 -0.000 0.000 0.268 519 E C -1.266 175.400 176.600 0.111 0.000 0.896 519 E CA -0.877 55.505 56.400 -0.029 0.000 0.766 519 E CB 1.974 31.593 29.700 -0.135 0.000 1.142 519 E HN 0.360 nan 8.360 nan 0.000 0.408 520 M N 2.812 122.502 119.600 0.149 0.000 2.253 520 M HA 0.597 5.077 4.480 -0.000 0.000 0.314 520 M C -1.532 174.882 176.300 0.191 0.000 1.019 520 M CA -0.496 54.928 55.300 0.207 0.000 0.932 520 M CB 1.276 33.998 32.600 0.203 0.000 1.606 520 M HN 0.632 nan 8.290 nan 0.000 0.430 521 A N 3.304 126.289 122.820 0.276 0.000 2.306 521 A HA 0.857 5.177 4.320 -0.000 0.000 0.330 521 A C -0.793 176.840 177.584 0.082 0.000 1.146 521 A CA -0.558 51.560 52.037 0.135 0.000 0.827 521 A CB 1.220 20.331 19.000 0.184 0.000 1.178 521 A HN 0.801 nan 8.150 nan 0.000 0.490 522 S N -0.195 115.408 115.700 -0.160 0.000 2.568 522 S HA 0.864 5.334 4.470 -0.000 0.000 0.302 522 S C -1.283 173.130 174.600 -0.312 0.000 1.082 522 S CA -0.202 58.025 58.200 0.047 0.000 1.009 522 S CB 0.827 64.170 63.200 0.238 0.000 1.069 522 S HN 0.460 nan 8.310 nan 0.000 0.500 523 F N 0.812 120.879 119.950 0.195 0.000 2.581 523 F HA 0.459 4.986 4.527 -0.000 0.000 0.311 523 F C 0.616 176.117 175.800 -0.498 0.000 1.113 523 F CA -0.976 57.003 58.000 -0.035 0.000 0.935 523 F CB 1.425 40.409 39.000 -0.027 0.000 1.232 523 F HN 0.588 nan 8.300 nan 0.000 0.445 524 S N 0.450 115.889 115.700 -0.435 0.000 2.600 524 S HA 0.125 4.595 4.470 -0.000 0.000 0.265 524 S C 1.228 175.528 174.600 -0.501 0.000 1.325 524 S CA -0.038 57.634 58.200 -0.881 0.000 1.002 524 S CB 1.165 64.144 63.200 -0.368 0.000 0.921 524 S HN 0.895 nan 8.310 nan 0.000 0.554 525 E N 1.408 121.251 120.200 -0.594 0.000 2.065 525 E HA -0.240 4.110 4.350 -0.000 0.000 0.201 525 E C 1.859 178.292 176.600 -0.278 0.000 1.016 525 E CA 1.996 58.053 56.400 -0.572 0.000 0.818 525 E CB -0.562 28.743 29.700 -0.659 0.000 0.749 525 E HN 0.810 nan 8.360 nan 0.000 0.453 526 S N 0.784 116.383 115.700 -0.168 0.000 2.353 526 S HA -0.258 4.212 4.470 -0.000 0.000 0.222 526 S C 2.058 176.635 174.600 -0.038 0.000 1.035 526 S CA 1.551 59.717 58.200 -0.057 0.000 1.025 526 S CB -0.568 62.634 63.200 0.003 0.000 0.902 526 S HN 0.301 nan 8.310 nan 0.000 0.440 527 R N 1.796 122.281 120.500 -0.027 0.000 2.096 527 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 527 R C 2.366 178.684 176.300 0.031 0.000 1.127 527 R CA 1.224 57.343 56.100 0.031 0.000 0.968 527 R CB -0.673 29.684 30.300 0.095 0.000 0.861 527 R HN 0.421 nan 8.270 nan 0.000 0.440 528 A N 0.842 123.668 122.820 0.011 0.000 1.877 528 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 528 A C 2.164 179.763 177.584 0.025 0.000 1.186 528 A CA 1.314 53.364 52.037 0.022 0.000 0.620 528 A CB -0.613 18.358 19.000 -0.048 0.000 0.822 528 A HN 0.352 nan 8.150 nan 0.000 0.443 529 L N -0.951 120.253 121.223 -0.032 0.000 2.012 529 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 529 L C 2.813 179.686 176.870 0.005 0.000 1.073 529 L CA 2.078 56.904 54.840 -0.022 0.000 0.748 529 L CB -0.508 41.529 42.059 -0.037 0.000 0.891 529 L HN 0.527 nan 8.230 nan 0.000 0.431 530 R N 0.625 121.128 120.500 0.005 0.000 2.082 530 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 530 R C 2.349 178.663 176.300 0.023 0.000 1.136 530 R CA 1.676 57.782 56.100 0.010 0.000 0.935 530 R CB -0.434 29.871 30.300 0.008 0.000 0.842 530 R HN 0.252 nan 8.270 nan 0.000 0.430 531 L N 0.622 121.856 121.223 0.018 0.000 2.127 531 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 531 L C 2.428 179.382 176.870 0.140 0.000 1.089 531 L CA 1.148 56.004 54.840 0.025 0.000 0.757 531 L CB -0.317 41.640 42.059 -0.170 0.000 0.899 531 L HN 0.343 nan 8.230 nan 0.000 0.434 532 L N -0.992 120.321 121.223 0.148 0.000 2.131 532 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 532 L C 2.614 179.507 176.870 0.038 0.000 1.087 532 L CA 0.790 55.698 54.840 0.114 0.000 0.767 532 L CB -0.284 41.797 42.059 0.036 0.000 0.917 532 L HN 0.273 nan 8.230 nan 0.000 0.441 533 Q N 0.602 120.418 119.800 0.025 0.000 2.046 533 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 533 Q C 1.887 177.892 176.000 0.009 0.000 0.975 533 Q CA 1.837 57.642 55.803 0.004 0.000 0.836 533 Q CB 0.125 28.865 28.738 0.002 0.000 0.896 533 Q HN 0.481 nan 8.270 nan 0.000 0.428 534 E N -0.881 119.336 120.200 0.028 0.000 2.166 534 E HA 0.088 4.438 4.350 -0.000 0.000 0.192 534 E C 0.235 176.868 176.600 0.055 0.000 0.967 534 E CA 0.841 57.261 56.400 0.032 0.000 0.840 534 E CB 0.603 30.322 29.700 0.030 0.000 0.795 534 E HN 0.111 nan 8.360 nan 0.000 0.470 535 S N 0.354 116.114 115.700 0.101 0.000 2.617 535 S HA 0.233 4.703 4.470 -0.000 0.000 0.237 535 S C 1.008 175.691 174.600 0.139 0.000 1.142 535 S CA -0.171 58.122 58.200 0.154 0.000 1.167 535 S CB 1.119 64.493 63.200 0.291 0.000 1.068 535 S HN 0.332 nan 8.310 nan 0.000 0.470 536 G N 3.371 112.205 108.800 0.055 0.000 2.529 536 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 536 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 536 G C 1.414 176.291 174.900 -0.040 0.000 1.177 536 G CA 1.202 46.300 45.100 -0.004 0.000 0.773 536 G HN 0.576 nan 8.290 nan 0.000 0.573 537 N N 1.239 119.904 118.700 -0.059 0.000 2.188 537 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 537 N C 2.415 177.899 175.510 -0.044 0.000 1.018 537 N CA 1.465 54.480 53.050 -0.059 0.000 0.858 537 N CB -0.396 38.061 38.487 -0.051 0.000 0.989 537 N HN 0.295 nan 8.380 nan 0.000 0.426 538 G N 0.392 109.179 108.800 -0.021 0.000 2.421 538 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 538 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 538 G C 1.322 175.846 174.900 -0.626 0.000 1.171 538 G CA 0.183 45.229 45.100 -0.090 0.000 0.775 538 G HN 0.259 nan 8.290 nan 0.000 0.543 539 F N 1.415 120.793 119.950 -0.953 0.000 2.095 539 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 539 F C 2.881 178.397 175.800 -0.475 0.000 1.104 539 F CA 0.686 58.021 58.000 -1.109 0.000 1.232 539 F CB -0.747 37.943 39.000 -0.515 0.000 0.987 539 F HN 0.011 nan 8.300 nan 0.000 0.475 540 V N 0.646 120.509 119.914 -0.085 0.000 2.231 540 V HA -0.358 3.762 4.120 -0.000 0.000 0.248 540 V C 2.629 178.698 176.094 -0.040 0.000 1.054 540 V CA 2.361 64.621 62.300 -0.068 0.000 1.015 540 V CB -0.671 31.151 31.823 -0.003 0.000 0.638 540 V HN 0.247 nan 8.190 nan 0.000 0.444 541 R N -0.990 119.492 120.500 -0.030 0.000 2.105 541 R HA -0.226 4.114 4.340 -0.000 0.000 0.239 541 R C 2.322 178.641 176.300 0.032 0.000 1.135 541 R CA 1.981 58.083 56.100 0.004 0.000 0.967 541 R CB -0.584 29.732 30.300 0.027 0.000 0.861 541 R HN 0.747 nan 8.270 nan 0.000 0.442 542 H N 0.963 119.981 119.070 -0.087 0.000 2.319 542 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 542 H C 1.332 176.716 175.328 0.093 0.000 1.092 542 H CA 2.049 58.111 56.048 0.023 0.000 1.302 542 H CB -0.256 29.452 29.762 -0.090 0.000 1.373 542 H HN 0.231 nan 8.280 nan 0.000 0.497 543 N N -0.190 118.507 118.700 -0.005 0.000 2.573 543 N HA -0.094 4.646 4.740 -0.000 0.000 0.187 543 N C 1.566 177.038 175.510 -0.064 0.000 1.107 543 N CA 0.594 53.613 53.050 -0.051 0.000 0.918 543 N CB 0.305 38.768 38.487 -0.040 0.000 0.966 543 N HN 0.199 nan 8.380 nan 0.000 0.448 544 V N 0.713 120.584 119.914 -0.071 0.000 2.358 544 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 544 V C 2.060 178.167 176.094 0.022 0.000 1.047 544 V CA 1.965 64.207 62.300 -0.098 0.000 1.035 544 V CB -0.142 31.632 31.823 -0.082 0.000 0.658 544 V HN 0.401 nan 8.190 nan 0.000 0.452 545 S N -3.498 112.225 115.700 0.038 0.000 2.540 545 S HA 0.202 4.672 4.470 -0.000 0.000 0.222 545 S C 0.298 174.951 174.600 0.089 0.000 1.008 545 S CA -0.454 57.808 58.200 0.104 0.000 0.939 545 S CB 0.007 63.270 63.200 0.104 0.000 0.865 545 S HN 0.407 nan 8.310 nan 0.000 0.499 546 C N 1.887 121.173 119.300 -0.024 0.000 2.507 546 C HA 0.614 5.074 4.460 -0.000 0.000 0.319 546 C C -0.037 174.981 174.990 0.046 0.000 1.208 546 C CA -1.082 57.914 59.018 -0.035 0.000 1.619 546 C CB 1.063 28.617 27.740 -0.310 0.000 2.230 546 C HN 0.537 nan 8.230 nan 0.000 0.492 547 L N 2.775 124.096 121.223 0.164 0.000 2.305 547 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 547 L C 0.155 177.212 176.870 0.311 0.000 1.085 547 L CA 0.558 55.532 54.840 0.224 0.000 0.813 547 L CB 1.021 43.223 42.059 0.238 0.000 1.157 547 L HN 0.731 nan 8.230 nan 0.000 0.436 548 S N 3.150 119.056 115.700 0.343 0.000 2.500 548 S HA 0.551 5.021 4.470 -0.000 0.000 0.301 548 S C -0.620 174.228 174.600 0.412 0.000 1.092 548 S CA -0.742 57.758 58.200 0.499 0.000 1.030 548 S CB 2.098 65.642 63.200 0.573 0.000 1.031 548 S HN 0.532 nan 8.310 nan 0.000 0.483 549 R N 2.825 123.611 120.500 0.476 0.000 2.387 549 R HA 0.576 4.916 4.340 -0.000 0.000 0.314 549 R C -1.192 175.389 176.300 0.469 0.000 0.958 549 R CA -0.511 55.831 56.100 0.404 0.000 0.846 549 R CB 0.382 30.887 30.300 0.342 0.000 1.147 549 R HN 0.481 nan 8.270 nan 0.000 0.447 550 I N 5.351 126.136 120.570 0.358 0.000 2.530 550 I HA 0.403 4.573 4.170 -0.000 0.000 0.297 550 I C -0.607 175.654 176.117 0.240 0.000 1.011 550 I CA -1.009 60.423 61.300 0.220 0.000 1.107 550 I CB 1.187 39.244 38.000 0.096 0.000 1.285 550 I HN 0.700 nan 8.210 nan 0.000 0.436 551 Y N 3.388 123.721 120.300 0.055 0.000 2.562 551 Y HA 0.769 5.319 4.550 -0.000 0.000 0.345 551 Y C -3.061 172.716 175.900 -0.206 0.000 1.045 551 Y CA -3.279 54.812 58.100 -0.015 0.000 1.028 551 Y CB 0.755 39.236 38.460 0.035 0.000 1.297 551 Y HN 0.290 nan 8.280 nan 0.000 0.463 552 P HA 0.125 nan 4.420 nan 0.000 0.266 552 P C -0.289 176.866 177.300 -0.243 0.000 1.195 552 P CA 0.285 63.255 63.100 -0.217 0.000 0.768 552 P CB 0.484 32.035 31.700 -0.248 0.000 0.838 553 A N 3.177 125.793 122.820 -0.339 0.000 2.520 553 A HA 0.318 4.638 4.320 -0.000 0.000 0.235 553 A C 1.977 179.423 177.584 -0.229 0.000 1.065 553 A CA 0.453 52.341 52.037 -0.248 0.000 0.764 553 A CB -0.754 18.125 19.000 -0.202 0.000 1.002 553 A HN 0.695 nan 8.150 nan 0.000 0.502 554 G N 1.230 110.038 108.800 0.013 0.000 2.462 554 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 554 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 554 G C 1.184 176.137 174.900 0.089 0.000 1.121 554 G CA 1.119 46.276 45.100 0.095 0.000 0.758 554 G HN 1.028 nan 8.290 nan 0.000 0.559 555 W N 0.686 122.030 121.300 0.073 0.000 2.699 555 W HA 0.212 4.872 4.660 -0.000 0.000 0.249 555 W C 0.614 177.171 176.519 0.063 0.000 1.280 555 W CA -0.285 57.097 57.345 0.061 0.000 1.345 555 W CB -0.257 29.226 29.460 0.039 0.000 1.128 555 W HN 0.081 nan 8.180 nan 0.000 0.642 556 R N 2.483 122.654 120.500 -0.548 0.000 4.779 556 R HA 0.017 4.357 4.340 -0.000 0.000 0.217 556 R C 1.720 177.934 176.300 -0.143 0.000 1.934 556 R CA 0.716 56.488 56.100 -0.547 0.000 1.623 556 R CB -0.408 29.430 30.300 -0.770 0.000 1.364 556 R HN 0.131 nan 8.270 nan 0.000 0.799 557 T N -2.590 111.974 114.554 0.016 0.000 3.051 557 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 557 T C 1.136 175.869 174.700 0.055 0.000 1.127 557 T CA 1.024 63.170 62.100 0.077 0.000 1.107 557 T CB -0.051 68.894 68.868 0.128 0.000 0.898 557 T HN 0.337 nan 8.240 nan 0.000 0.517 558 D N 0.273 120.692 120.400 0.032 0.000 2.339 558 D HA 0.149 4.789 4.640 -0.000 0.000 0.217 558 D C 0.725 177.017 176.300 -0.013 0.000 1.050 558 D CA 0.098 54.113 54.000 0.026 0.000 0.856 558 D CB -0.442 40.388 40.800 0.049 0.000 0.922 558 D HN 0.317 nan 8.370 nan 0.000 0.518 559 S N -1.037 114.640 115.700 -0.038 0.000 3.382 559 S HA -0.211 4.259 4.470 -0.000 0.000 0.293 559 S C 0.522 175.070 174.600 -0.088 0.000 1.262 559 S CA 0.651 58.818 58.200 -0.055 0.000 0.969 559 S CB -2.263 60.912 63.200 -0.042 0.000 1.136 559 S HN 0.782 nan 8.310 nan 0.000 0.635 560 S N 1.533 117.169 115.700 -0.108 0.000 2.572 560 S HA 0.460 4.930 4.470 -0.000 0.000 0.267 560 S C 0.020 174.527 174.600 -0.156 0.000 1.361 560 S CA -0.363 57.771 58.200 -0.111 0.000 1.009 560 S CB 0.509 63.659 63.200 -0.084 0.000 0.888 560 S HN 0.409 nan 8.310 nan 0.000 0.553 561 N N 0.296 118.908 118.700 -0.146 0.000 2.292 561 N HA 0.468 5.208 4.740 -0.000 0.000 0.303 561 N C -0.887 174.540 175.510 -0.139 0.000 1.140 561 N CA -0.534 52.391 53.050 -0.210 0.000 0.788 561 N CB 1.473 39.777 38.487 -0.305 0.000 1.361 561 N HN 0.796 nan 8.380 nan 0.000 0.489 562 Y N -1.164 119.043 120.300 -0.155 0.000 2.496 562 Y HA 0.555 5.105 4.550 -0.000 0.000 0.325 562 Y C 0.871 176.702 175.900 -0.114 0.000 1.271 562 Y CA -1.262 56.772 58.100 -0.110 0.000 1.368 562 Y CB -0.054 38.333 38.460 -0.120 0.000 1.415 562 Y HN 0.326 nan 8.280 nan 0.000 0.527 563 S N 2.268 117.992 115.700 0.040 0.000 2.465 563 S HA 0.275 4.745 4.470 -0.000 0.000 0.279 563 S C -1.701 172.806 174.600 -0.156 0.000 1.201 563 S CA -1.427 56.720 58.200 -0.088 0.000 1.053 563 S CB 0.640 63.826 63.200 -0.024 0.000 0.953 563 S HN 0.626 nan 8.310 nan 0.000 0.488 564 P HA -0.060 nan 4.420 nan 0.000 0.217 564 P C 1.671 178.397 177.300 -0.957 0.000 1.151 564 P CA 0.631 63.283 63.100 -0.748 0.000 0.828 564 P CB -0.148 30.913 31.700 -1.065 0.000 0.788 565 V N 2.682 122.178 119.914 -0.696 0.000 2.278 565 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 565 V C 2.851 178.892 176.094 -0.089 0.000 1.062 565 V CA 2.610 64.772 62.300 -0.230 0.000 1.038 565 V CB -1.569 30.279 31.823 0.041 0.000 0.646 565 V HN 0.313 nan 8.190 nan 0.000 0.447 566 E N -0.290 119.854 120.200 -0.093 0.000 2.209 566 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 566 E C 2.031 178.591 176.600 -0.066 0.000 0.993 566 E CA 1.723 58.095 56.400 -0.046 0.000 0.819 566 E CB -0.286 29.394 29.700 -0.033 0.000 0.745 566 E HN 0.506 nan 8.360 nan 0.000 0.477 567 M N -0.362 119.166 119.600 -0.121 0.000 2.357 567 M HA 0.000 4.480 4.480 -0.000 0.000 0.266 567 M C 1.870 178.153 176.300 -0.030 0.000 1.095 567 M CA 0.726 55.952 55.300 -0.123 0.000 1.156 567 M CB -0.958 31.584 32.600 -0.097 0.000 1.365 567 M HN 0.221 nan 8.290 nan 0.000 0.447 568 W N 2.101 123.392 121.300 -0.014 0.000 2.342 568 W HA -0.118 4.542 4.660 -0.000 0.000 0.297 568 W C 1.860 178.340 176.519 -0.065 0.000 1.213 568 W CA 0.844 58.160 57.345 -0.048 0.000 1.251 568 W CB -1.774 27.658 29.460 -0.047 0.000 1.136 568 W HN 0.351 nan 8.180 nan 0.000 0.526 569 N N -0.424 118.391 118.700 0.192 0.000 2.513 569 N HA -0.091 4.649 4.740 -0.000 0.000 0.187 569 N C 1.797 177.378 175.510 0.118 0.000 1.056 569 N CA 1.543 54.694 53.050 0.168 0.000 0.907 569 N CB -0.770 37.798 38.487 0.136 0.000 0.954 569 N HN 0.181 nan 8.380 nan 0.000 0.445 570 G N -1.558 107.226 108.800 -0.028 0.000 3.277 570 G HA2 0.362 4.322 3.960 -0.000 0.000 0.243 570 G HA3 0.362 4.322 3.960 -0.000 0.000 0.243 570 G C 0.931 175.700 174.900 -0.220 0.000 1.107 570 G CA 0.214 45.210 45.100 -0.174 0.000 0.771 570 G HN 0.355 nan 8.290 nan 0.000 0.544 571 G N -0.812 107.927 108.800 -0.101 0.000 2.159 571 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.256 571 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.256 571 G C 0.493 175.337 174.900 -0.093 0.000 0.977 571 G CA 0.122 45.158 45.100 -0.107 0.000 0.652 571 G HN 0.612 nan 8.290 nan 0.000 0.531 572 C N 2.303 121.526 119.300 -0.128 0.000 2.648 572 C HA 0.412 4.872 4.460 -0.000 0.000 0.415 572 C C 1.880 176.972 174.990 0.170 0.000 1.366 572 C CA 0.286 59.267 59.018 -0.062 0.000 1.756 572 C CB 0.939 28.580 27.740 -0.165 0.000 2.549 572 C HN 0.659 nan 8.230 nan 0.000 0.597 573 Q N 2.938 122.849 119.800 0.186 0.000 2.259 573 Q HA 0.133 4.473 4.340 -0.000 0.000 0.201 573 Q C 0.532 176.719 176.000 0.312 0.000 0.938 573 Q CA 1.262 57.214 55.803 0.249 0.000 0.872 573 Q CB 0.017 28.875 28.738 0.200 0.000 0.971 573 Q HN 0.833 nan 8.270 nan 0.000 0.494 574 I N 3.273 124.014 120.570 0.286 0.000 2.234 574 I HA 0.168 4.338 4.170 -0.000 0.000 0.287 574 I C -0.648 175.665 176.117 0.327 0.000 1.131 574 I CA -0.597 60.874 61.300 0.286 0.000 1.335 574 I CB 0.900 39.046 38.000 0.242 0.000 1.511 574 I HN -0.184 nan 8.210 nan 0.000 0.588 575 V N 4.435 124.596 119.914 0.412 0.000 2.338 575 V HA 0.305 4.425 4.120 -0.000 0.000 0.255 575 V C 0.971 177.276 176.094 0.351 0.000 1.082 575 V CA -0.482 62.057 62.300 0.397 0.000 0.951 575 V CB 0.630 32.687 31.823 0.389 0.000 1.102 575 V HN 0.666 nan 8.190 nan 0.000 0.489 576 A N 7.130 130.123 122.820 0.288 0.000 2.362 576 A HA 0.714 5.034 4.320 -0.000 0.000 0.276 576 A C -0.284 177.338 177.584 0.062 0.000 1.153 576 A CA -0.156 51.995 52.037 0.189 0.000 0.813 576 A CB 0.249 19.403 19.000 0.257 0.000 1.081 576 A HN 0.759 nan 8.150 nan 0.000 0.507 577 L N 1.833 123.005 121.223 -0.085 0.000 2.279 577 L HA 0.400 4.740 4.340 -0.000 0.000 0.262 577 L C -0.349 176.525 176.870 0.007 0.000 1.019 577 L CA -1.166 53.541 54.840 -0.221 0.000 0.823 577 L CB 1.676 43.385 42.059 -0.583 0.000 1.358 577 L HN 0.622 nan 8.230 nan 0.000 0.432 578 N N 1.218 119.888 118.700 -0.051 0.000 2.448 578 N HA 0.099 4.839 4.740 -0.000 0.000 0.250 578 N C 0.537 176.050 175.510 0.006 0.000 1.136 578 N CA -0.034 53.022 53.050 0.010 0.000 0.953 578 N CB 0.526 38.996 38.487 -0.027 0.000 1.251 578 N HN 0.422 nan 8.380 nan 0.000 0.502 579 F N 1.454 121.287 119.950 -0.195 0.000 2.373 579 F HA -0.141 4.386 4.527 0.000 0.000 0.300 579 F C 2.432 178.148 175.800 -0.140 0.000 1.080 579 F CA 0.972 58.868 58.000 -0.173 0.000 1.417 579 F CB 0.102 39.005 39.000 -0.162 0.000 1.070 579 F HN 0.510 nan 8.300 nan 0.000 0.546 580 Q N -0.624 119.181 119.800 0.010 0.000 2.425 580 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 580 Q C -0.076 175.885 176.000 -0.066 0.000 0.933 580 Q CA 0.621 56.403 55.803 -0.036 0.000 0.939 580 Q CB -0.722 27.985 28.738 -0.052 0.000 1.044 580 Q HN 0.174 nan 8.270 nan 0.000 0.513 581 T N 4.539 119.039 114.554 -0.091 0.000 2.753 581 T HA 0.444 4.794 4.350 -0.000 0.000 0.297 581 T C -2.559 172.060 174.700 -0.135 0.000 0.981 581 T CA -1.358 60.681 62.100 -0.103 0.000 0.956 581 T CB 1.536 70.343 68.868 -0.101 0.000 0.936 581 T HN 0.129 nan 8.240 nan 0.000 0.463 582 P HA 0.519 nan 4.420 nan 0.000 0.268 582 P C 0.223 177.415 177.300 -0.180 0.000 1.205 582 P CA 0.233 63.230 63.100 -0.172 0.000 0.771 582 P CB 0.693 32.283 31.700 -0.183 0.000 0.858 583 G N 2.237 110.918 108.800 -0.198 0.000 2.321 583 G HA2 0.191 4.151 3.960 -0.000 0.000 0.298 583 G HA3 0.191 4.151 3.960 -0.000 0.000 0.298 583 G C -2.814 172.022 174.900 -0.107 0.000 1.385 583 G CA -0.770 44.236 45.100 -0.156 0.000 0.856 583 G HN 0.076 nan 8.290 nan 0.000 0.584 584 P HA 0.015 nan 4.420 nan 0.000 0.220 584 P C 1.419 178.727 177.300 0.013 0.000 1.148 584 P CA 1.317 64.431 63.100 0.024 0.000 0.803 584 P CB 0.327 32.075 31.700 0.079 0.000 0.782 585 E N -1.252 118.927 120.200 -0.034 0.000 2.051 585 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 585 E C 1.976 178.540 176.600 -0.061 0.000 0.991 585 E CA 1.259 57.616 56.400 -0.072 0.000 0.799 585 E CB -0.760 28.843 29.700 -0.162 0.000 0.748 585 E HN 0.113 nan 8.360 nan 0.000 0.449 586 M N 0.791 120.323 119.600 -0.114 0.000 2.254 586 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 586 M C 1.117 177.413 176.300 -0.005 0.000 1.066 586 M CA 1.148 56.372 55.300 -0.126 0.000 1.123 586 M CB -0.612 31.839 32.600 -0.249 0.000 1.388 586 M HN 0.050 nan 8.290 nan 0.000 0.425 587 D N 0.191 120.588 120.400 -0.006 0.000 2.087 587 D HA -0.132 4.508 4.640 -0.000 0.000 0.192 587 D C 2.205 178.553 176.300 0.081 0.000 0.993 587 D CA 1.231 55.255 54.000 0.039 0.000 0.828 587 D CB -0.366 40.462 40.800 0.046 0.000 0.968 587 D HN 0.121 nan 8.370 nan 0.000 0.448 588 V N 0.430 120.389 119.914 0.075 0.000 2.332 588 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 588 V C 2.176 178.432 176.094 0.270 0.000 1.055 588 V CA 1.429 63.798 62.300 0.114 0.000 1.038 588 V CB -0.614 31.262 31.823 0.088 0.000 0.651 588 V HN 0.186 nan 8.190 nan 0.000 0.450 589 Y N 0.299 120.701 120.300 0.171 0.000 2.097 589 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 589 Y C 2.267 178.368 175.900 0.335 0.000 1.152 589 Y CA 1.856 60.159 58.100 0.338 0.000 1.136 589 Y CB -0.198 38.328 38.460 0.109 0.000 0.975 589 Y HN 0.115 nan 8.280 nan 0.000 0.498 590 L N -1.190 120.207 121.223 0.290 0.000 2.291 590 L HA -0.097 4.243 4.340 -0.000 0.000 0.214 590 L C 2.527 179.491 176.870 0.156 0.000 1.120 590 L CA 0.890 55.858 54.840 0.212 0.000 0.799 590 L CB -1.118 41.003 42.059 0.103 0.000 0.925 590 L HN 0.366 nan 8.230 nan 0.000 0.446 591 G N -0.461 108.423 108.800 0.140 0.000 2.404 591 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 591 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 591 G C 1.838 176.800 174.900 0.103 0.000 1.174 591 G CA 0.752 45.948 45.100 0.160 0.000 0.780 591 G HN 0.454 nan 8.290 nan 0.000 0.537 592 C N 0.181 119.444 119.300 -0.063 0.000 2.398 592 C HA -0.017 4.443 4.460 -0.000 0.000 0.276 592 C C 2.444 177.131 174.990 -0.504 0.000 1.222 592 C CA 0.921 59.682 59.018 -0.429 0.000 1.746 592 C CB -1.216 25.962 27.740 -0.936 0.000 2.039 592 C HN 0.324 nan 8.230 nan 0.000 0.470 593 F N 0.863 120.739 119.950 -0.123 0.000 2.811 593 F HA 0.142 4.669 4.527 -0.000 0.000 0.301 593 F C 2.235 178.048 175.800 0.022 0.000 1.151 593 F CA 0.944 58.902 58.000 -0.071 0.000 1.412 593 F CB -0.619 38.336 39.000 -0.075 0.000 1.113 593 F HN 0.381 nan 8.300 nan 0.000 0.579 594 Q N 0.468 120.367 119.800 0.165 0.000 2.311 594 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 594 Q C 0.780 176.898 176.000 0.198 0.000 0.954 594 Q CA 0.545 56.399 55.803 0.083 0.000 0.885 594 Q CB -0.099 28.551 28.738 -0.146 0.000 0.963 594 Q HN 0.181 nan 8.270 nan 0.000 0.471 595 D N 0.499 121.076 120.400 0.294 0.000 2.362 595 D HA -0.081 4.559 4.640 -0.000 0.000 0.238 595 D C -0.129 176.303 176.300 0.220 0.000 1.212 595 D CA 0.487 54.670 54.000 0.305 0.000 0.902 595 D CB 0.365 41.220 40.800 0.093 0.000 1.180 595 D HN 0.335 nan 8.370 nan 0.000 0.445 596 N N 0.427 119.299 118.700 0.288 0.000 2.714 596 N HA -0.215 4.525 4.740 -0.000 0.000 0.252 596 N C 0.659 176.285 175.510 0.194 0.000 1.014 596 N CA 1.892 55.016 53.050 0.123 0.000 0.735 596 N CB -1.273 37.130 38.487 -0.141 0.000 0.924 596 N HN 0.721 nan 8.380 nan 0.000 0.540 597 G N -1.261 107.700 108.800 0.267 0.000 2.187 597 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.261 597 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.261 597 G C 1.369 176.372 174.900 0.172 0.000 1.000 597 G CA 1.015 46.238 45.100 0.206 0.000 0.718 597 G HN 1.839 nan 8.290 nan 0.000 0.519 598 G N -1.569 107.337 108.800 0.177 0.000 2.225 598 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.267 598 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.267 598 G C 1.884 176.901 174.900 0.195 0.000 1.024 598 G CA 1.674 46.879 45.100 0.175 0.000 0.784 598 G HN 2.314 nan 8.290 nan 0.000 0.507 599 C N -1.861 117.576 119.300 0.228 0.000 2.522 599 C HA 0.549 5.009 4.460 -0.000 0.000 0.271 599 C C 2.429 177.597 174.990 0.297 0.000 1.425 599 C CA 0.792 59.992 59.018 0.305 0.000 1.751 599 C CB -0.841 27.155 27.740 0.428 0.000 1.775 599 C HN 2.338 nan 8.230 nan 0.000 0.557 600 G N -1.096 107.823 108.800 0.198 0.000 2.194 600 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 600 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 600 G C -0.376 174.399 174.900 -0.208 0.000 0.987 600 G CA 0.395 45.463 45.100 -0.052 0.000 0.635 600 G HN 0.648 nan 8.290 nan 0.000 0.520 601 Y N -0.264 120.084 120.300 0.081 0.000 2.338 601 Y HA 0.604 5.154 4.550 -0.000 0.000 0.333 601 Y C -0.095 175.853 175.900 0.080 0.000 0.968 601 Y CA -0.922 57.189 58.100 0.019 0.000 1.123 601 Y CB 2.452 40.673 38.460 -0.398 0.000 1.165 601 Y HN 0.097 nan 8.280 nan 0.000 0.452 602 V N 5.357 125.424 119.914 0.255 0.000 2.407 602 V HA 0.247 4.367 4.120 -0.000 0.000 0.291 602 V C -0.429 175.677 176.094 0.019 0.000 1.018 602 V CA -0.935 61.379 62.300 0.023 0.000 0.842 602 V CB 1.617 33.267 31.823 -0.289 0.000 0.996 602 V HN 0.580 nan 8.190 nan 0.000 0.426 603 L N 6.167 127.371 121.223 -0.032 0.000 2.559 603 L HA 0.186 4.526 4.340 -0.000 0.000 0.274 603 L C 0.608 177.277 176.870 -0.334 0.000 1.205 603 L CA 0.734 55.376 54.840 -0.330 0.000 0.907 603 L CB 0.087 41.945 42.059 -0.335 0.000 1.153 603 L HN 0.569 nan 8.230 nan 0.000 0.490 604 K N 5.985 126.155 120.400 -0.383 0.000 2.219 604 K HA 0.272 4.592 4.320 -0.000 0.000 0.258 604 K C -2.199 174.152 176.600 -0.415 0.000 1.008 604 K CA -1.375 54.680 56.287 -0.385 0.000 0.928 604 K CB -0.021 32.247 32.500 -0.387 0.000 0.983 604 K HN 0.487 nan 8.250 nan 0.000 0.484 605 P HA -0.097 nan 4.420 nan 0.000 0.269 605 P C -0.198 176.761 177.300 -0.569 0.000 1.217 605 P CA 0.139 62.914 63.100 -0.542 0.000 0.783 605 P CB 0.568 31.720 31.700 -0.913 0.000 0.898 606 A N 2.671 125.291 122.820 -0.333 0.000 1.883 606 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 606 A C 1.817 179.289 177.584 -0.187 0.000 1.186 606 A CA 2.071 53.987 52.037 -0.202 0.000 0.624 606 A CB -1.929 17.043 19.000 -0.047 0.000 0.822 606 A HN 0.709 nan 8.150 nan 0.000 0.444 607 F N -0.958 118.950 119.950 -0.071 0.000 2.373 607 F HA 0.020 4.547 4.527 -0.000 0.000 0.300 607 F C 1.289 177.018 175.800 -0.118 0.000 1.080 607 F CA 0.843 58.828 58.000 -0.025 0.000 1.417 607 F CB -0.522 38.544 39.000 0.111 0.000 1.070 607 F HN 0.087 nan 8.300 nan 0.000 0.546 608 L N -0.002 120.849 121.223 -0.620 0.000 2.628 608 L HA 0.259 4.599 4.340 -0.000 0.000 0.229 608 L C 1.507 178.161 176.870 -0.358 0.000 1.137 608 L CA 0.163 54.744 54.840 -0.431 0.000 0.909 608 L CB -0.142 41.576 42.059 -0.568 0.000 1.137 608 L HN 0.127 nan 8.230 nan 0.000 0.470 609 R N -0.826 119.458 120.500 -0.360 0.000 2.508 609 R HA 0.075 4.415 4.340 -0.000 0.000 0.300 609 R C -0.263 175.873 176.300 -0.272 0.000 0.970 609 R CA -0.156 55.660 56.100 -0.474 0.000 1.102 609 R CB 0.525 30.504 30.300 -0.535 0.000 1.246 609 R HN 0.021 nan 8.270 nan 0.000 0.539 610 D N 1.623 121.947 120.400 -0.126 0.000 2.396 610 D HA 0.107 4.747 4.640 -0.000 0.000 0.225 610 D C -1.548 174.752 176.300 0.001 0.000 1.121 610 D CA -2.567 51.420 54.000 -0.023 0.000 0.853 610 D CB 1.516 42.352 40.800 0.060 0.000 1.043 610 D HN -0.109 nan 8.370 nan 0.000 0.500 611 P HA -0.111 nan 4.420 nan 0.000 0.227 611 P C -0.127 177.202 177.300 0.049 0.000 1.145 611 P CA 0.844 63.959 63.100 0.025 0.000 0.769 611 P CB 0.244 31.967 31.700 0.038 0.000 0.769 612 N N -1.428 117.309 118.700 0.061 0.000 2.197 612 N HA 0.057 4.797 4.740 -0.000 0.000 0.228 612 N C 0.026 175.601 175.510 0.107 0.000 1.212 612 N CA 0.065 53.161 53.050 0.077 0.000 0.883 612 N CB 0.237 38.767 38.487 0.072 0.000 1.107 612 N HN 0.056 nan 8.380 nan 0.000 0.519 613 T N 1.221 115.850 114.554 0.126 0.000 2.903 613 T HA 0.029 4.379 4.350 -0.000 0.000 0.314 613 T C 1.598 176.390 174.700 0.154 0.000 1.078 613 T CA 0.452 62.669 62.100 0.194 0.000 1.114 613 T CB 1.022 70.023 68.868 0.223 0.000 0.987 613 T HN 0.264 nan 8.240 nan 0.000 0.548 614 T N -0.694 113.981 114.554 0.201 0.000 3.174 614 T HA 0.266 4.616 4.350 -0.000 0.000 0.269 614 T C 0.145 174.828 174.700 -0.029 0.000 1.017 614 T CA -0.678 61.495 62.100 0.122 0.000 0.899 614 T CB -0.498 68.483 68.868 0.188 0.000 1.077 614 T HN 0.389 nan 8.240 nan 0.000 0.552 615 F N 3.034 122.771 119.950 -0.355 0.000 2.506 615 F HA 0.526 5.053 4.527 -0.000 0.000 0.351 615 F C 0.196 175.746 175.800 -0.416 0.000 1.136 615 F CA -0.605 56.911 58.000 -0.806 0.000 1.298 615 F CB 0.539 39.042 39.000 -0.828 0.000 1.145 615 F HN 0.245 nan 8.300 nan 0.000 0.593 616 N N 2.708 120.480 118.700 -1.546 0.000 2.875 616 N HA -0.007 4.733 4.740 -0.000 0.000 0.253 616 N C 0.260 175.034 175.510 -1.226 0.000 1.296 616 N CA 0.450 52.852 53.050 -1.081 0.000 0.816 616 N CB 1.106 39.300 38.487 -0.488 0.000 1.504 616 N HN 0.657 nan 8.380 nan 0.000 0.582 617 S N 2.661 117.557 115.700 -1.340 0.000 2.441 617 S HA -0.150 4.320 4.470 -0.000 0.000 0.242 617 S C 1.409 175.838 174.600 -0.285 0.000 1.018 617 S CA 0.814 58.664 58.200 -0.585 0.000 0.988 617 S CB -0.020 63.114 63.200 -0.110 0.000 0.778 617 S HN 0.562 nan 8.310 nan 0.000 0.498 618 R N 1.155 121.481 120.500 -0.289 0.000 2.200 618 R HA 0.306 4.646 4.340 -0.000 0.000 0.208 618 R C 0.621 176.840 176.300 -0.136 0.000 1.033 618 R CA 0.920 56.925 56.100 -0.158 0.000 1.000 618 R CB -0.140 30.082 30.300 -0.130 0.000 0.906 618 R HN 0.496 nan 8.270 nan 0.000 0.462 619 A N 1.533 124.236 122.820 -0.195 0.000 3.082 619 A HA 0.362 4.682 4.320 -0.000 0.000 0.328 619 A C -0.362 177.139 177.584 -0.140 0.000 1.089 619 A CA -0.562 51.396 52.037 -0.131 0.000 0.802 619 A CB 0.228 19.157 19.000 -0.117 0.000 1.138 619 A HN 0.063 nan 8.150 nan 0.000 0.474 620 L N 2.238 123.423 121.223 -0.065 0.000 2.462 620 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 620 L C 1.144 178.064 176.870 0.084 0.000 1.166 620 L CA 0.257 55.132 54.840 0.057 0.000 0.880 620 L CB 0.888 43.105 42.059 0.263 0.000 1.142 620 L HN 0.763 nan 8.230 nan 0.000 0.473 621 T N -0.283 114.412 114.554 0.234 0.000 2.883 621 T HA 0.390 4.740 4.350 -0.000 0.000 0.284 621 T C -0.396 174.407 174.700 0.171 0.000 1.041 621 T CA -0.940 61.240 62.100 0.134 0.000 1.007 621 T CB 1.654 70.610 68.868 0.146 0.000 1.220 621 T HN 0.398 nan 8.240 nan 0.000 0.552 622 Q N -0.187 119.549 119.800 -0.106 0.000 2.364 622 Q HA 0.572 4.912 4.340 -0.000 0.000 0.267 622 Q C 0.021 175.741 176.000 -0.467 0.000 0.999 622 Q CA 1.053 56.669 55.803 -0.312 0.000 0.886 622 Q CB 0.150 28.707 28.738 -0.301 0.000 1.243 622 Q HN 1.263 nan 8.270 nan 0.000 0.415 623 G N 2.881 111.083 108.800 -0.997 0.000 2.338 623 G HA2 0.241 4.201 3.960 -0.000 0.000 0.295 623 G HA3 0.241 4.201 3.960 -0.000 0.000 0.295 623 G C -2.522 171.510 174.900 -1.447 0.000 1.461 623 G CA -0.572 43.525 45.100 -1.673 0.000 0.817 623 G HN 0.444 nan 8.290 nan 0.000 0.556 624 P HA -0.118 nan 4.420 nan 0.000 0.219 624 P C 1.441 178.510 177.300 -0.385 0.000 1.144 624 P CA 2.060 64.907 63.100 -0.421 0.000 0.806 624 P CB -0.095 31.527 31.700 -0.130 0.000 0.771 625 W N -2.401 118.628 121.300 -0.451 0.000 2.584 625 W HA 0.094 4.754 4.660 -0.000 0.000 0.264 625 W C 0.817 177.175 176.519 -0.269 0.000 1.264 625 W CA -0.672 56.239 57.345 -0.724 0.000 1.306 625 W CB -1.417 27.098 29.460 -1.575 0.000 1.110 625 W HN -0.127 nan 8.180 nan 0.000 0.606 626 W N 4.465 125.407 121.300 -0.598 0.000 2.481 626 W HA 0.369 5.029 4.660 -0.000 0.000 0.320 626 W C -0.453 175.936 176.519 -0.217 0.000 1.209 626 W CA -0.415 56.771 57.345 -0.266 0.000 1.400 626 W CB 0.286 29.559 29.460 -0.312 0.000 1.361 626 W HN -0.063 nan 8.180 nan 0.000 0.456 627 R N 6.007 126.193 120.500 -0.524 0.000 2.797 627 R HA 0.163 4.503 4.340 -0.000 0.000 0.230 627 R C -2.624 173.418 176.300 -0.430 0.000 1.591 627 R CA -1.545 54.342 56.100 -0.354 0.000 1.501 627 R CB 0.944 31.123 30.300 -0.203 0.000 1.524 627 R HN 0.165 nan 8.270 nan 0.000 0.711 628 P HA -0.086 nan 4.420 nan 0.000 0.263 628 P C -0.400 176.770 177.300 -0.216 0.000 1.175 628 P CA 0.737 63.576 63.100 -0.435 0.000 0.761 628 P CB 0.686 32.174 31.700 -0.353 0.000 0.794 629 E N 2.143 122.239 120.200 -0.175 0.000 2.317 629 E HA 0.332 4.682 4.350 -0.000 0.000 0.270 629 E C -0.512 176.126 176.600 0.063 0.000 0.885 629 E CA -0.924 55.475 56.400 -0.002 0.000 0.760 629 E CB 2.540 32.315 29.700 0.124 0.000 1.227 629 E HN 0.350 nan 8.360 nan 0.000 0.434 630 R N 2.556 123.120 120.500 0.107 0.000 2.246 630 R HA 0.361 4.701 4.340 -0.000 0.000 0.332 630 R C -1.130 175.271 176.300 0.168 0.000 0.974 630 R CA -0.643 55.522 56.100 0.108 0.000 0.837 630 R CB 0.403 30.735 30.300 0.053 0.000 1.145 630 R HN 0.363 nan 8.270 nan 0.000 0.467 631 L N 4.850 126.222 121.223 0.248 0.000 2.287 631 L HA 0.484 4.824 4.340 -0.000 0.000 0.287 631 L C -0.841 176.138 176.870 0.181 0.000 1.022 631 L CA -0.233 54.756 54.840 0.248 0.000 0.814 631 L CB 1.165 43.469 42.059 0.408 0.000 1.217 631 L HN 0.591 nan 8.230 nan 0.000 0.420 632 R N 4.711 125.257 120.500 0.075 0.000 2.343 632 R HA 0.679 5.019 4.340 -0.000 0.000 0.320 632 R C -1.476 174.836 176.300 0.019 0.000 0.956 632 R CA -0.841 55.276 56.100 0.029 0.000 0.836 632 R CB 2.030 32.313 30.300 -0.029 0.000 1.151 632 R HN 0.473 nan 8.270 nan 0.000 0.450 633 V N 3.724 123.674 119.914 0.059 0.000 2.444 633 V HA 0.416 4.536 4.120 -0.000 0.000 0.294 633 V C -0.098 175.966 176.094 -0.049 0.000 1.022 633 V CA -0.866 61.465 62.300 0.051 0.000 0.850 633 V CB 1.933 33.861 31.823 0.176 0.000 0.992 633 V HN 0.638 nan 8.190 nan 0.000 0.426 634 R N 5.041 125.486 120.500 -0.092 0.000 2.310 634 R HA 0.513 4.853 4.340 -0.000 0.000 0.324 634 R C -1.039 175.206 176.300 -0.091 0.000 0.955 634 R CA -0.743 55.272 56.100 -0.141 0.000 0.830 634 R CB 0.949 31.176 30.300 -0.122 0.000 1.154 634 R HN 0.562 nan 8.270 nan 0.000 0.458 635 I N 7.692 128.193 120.570 -0.115 0.000 2.278 635 I HA 0.045 4.215 4.170 -0.000 0.000 0.296 635 I C 1.254 177.439 176.117 0.113 0.000 1.121 635 I CA 0.035 61.332 61.300 -0.004 0.000 1.267 635 I CB 0.238 38.182 38.000 -0.094 0.000 1.447 635 I HN 0.793 nan 8.210 nan 0.000 0.509 636 I N 3.708 124.363 120.570 0.142 0.000 2.185 636 I HA -0.109 4.061 4.170 -0.000 0.000 0.235 636 I C 1.138 177.452 176.117 0.329 0.000 1.069 636 I CA 0.948 62.377 61.300 0.214 0.000 1.354 636 I CB 0.028 38.164 38.000 0.227 0.000 1.093 636 I HN 0.677 nan 8.210 nan 0.000 0.411 637 S N -0.850 115.078 115.700 0.380 0.000 2.671 637 S HA 0.755 5.225 4.470 -0.000 0.000 0.277 637 S C -0.530 174.304 174.600 0.391 0.000 1.165 637 S CA -0.502 57.889 58.200 0.318 0.000 0.822 637 S CB 1.683 64.969 63.200 0.144 0.000 1.150 637 S HN 0.265 nan 8.310 nan 0.000 0.479 638 G N -0.176 108.771 108.800 0.244 0.000 2.524 638 G HA2 0.621 4.581 3.960 -0.000 0.000 0.310 638 G HA3 0.621 4.581 3.960 -0.000 0.000 0.310 638 G C -1.909 172.985 174.900 -0.010 0.000 1.279 638 G CA -0.724 44.513 45.100 0.228 0.000 0.974 638 G HN 0.549 nan 8.290 nan 0.000 0.484 639 Q N 0.534 120.303 119.800 -0.052 0.000 2.330 639 Q HA 0.435 4.775 4.340 -0.000 0.000 0.269 639 Q C -0.233 175.660 176.000 -0.178 0.000 1.022 639 Q CA -0.558 55.114 55.803 -0.218 0.000 0.796 639 Q CB 2.048 30.650 28.738 -0.227 0.000 1.271 639 Q HN 0.673 nan 8.270 nan 0.000 0.450 640 Q N 1.631 121.300 119.800 -0.217 0.000 2.431 640 Q HA -0.227 4.113 4.340 -0.000 0.000 0.344 640 Q C -0.801 175.170 176.000 -0.049 0.000 1.384 640 Q CA 0.242 56.011 55.803 -0.056 0.000 0.984 640 Q CB -1.472 27.246 28.738 -0.033 0.000 1.204 640 Q HN 0.581 nan 8.270 nan 0.000 0.392 641 L N 2.087 123.294 121.223 -0.027 0.000 2.462 641 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 641 L C -1.260 175.568 176.870 -0.069 0.000 1.166 641 L CA -1.705 53.111 54.840 -0.041 0.000 0.880 641 L CB -0.309 41.764 42.059 0.023 0.000 1.142 641 L HN 0.101 nan 8.230 nan 0.000 0.473 642 P HA -0.035 nan 4.420 nan 0.000 0.265 642 P C -0.556 176.700 177.300 -0.072 0.000 1.193 642 P CA -0.161 62.824 63.100 -0.192 0.000 0.765 642 P CB 0.495 31.921 31.700 -0.457 0.000 0.823 643 K N 2.665 123.048 120.400 -0.028 0.000 2.402 643 K HA 0.039 4.359 4.320 -0.000 0.000 0.285 643 K C 1.222 177.836 176.600 0.024 0.000 1.054 643 K CA 0.031 56.324 56.287 0.010 0.000 1.001 643 K CB 0.488 33.000 32.500 0.020 0.000 0.946 643 K HN 0.341 nan 8.250 nan 0.000 0.473 644 V N 0.982 120.917 119.914 0.036 0.000 3.398 644 V HA -0.144 3.976 4.120 -0.000 0.000 0.275 644 V C -0.127 176.007 176.094 0.067 0.000 1.207 644 V CA 0.457 62.793 62.300 0.060 0.000 1.189 644 V CB -1.635 30.227 31.823 0.064 0.000 0.838 644 V HN 0.991 nan 8.190 nan 0.000 0.546 645 N N 0.974 119.706 118.700 0.054 0.000 2.441 645 N HA -0.167 4.573 4.740 -0.000 0.000 0.292 645 N C -0.342 175.195 175.510 0.045 0.000 1.378 645 N CA 0.927 54.008 53.050 0.051 0.000 0.651 645 N CB -0.634 37.890 38.487 0.060 0.000 0.926 645 N HN 0.784 nan 8.380 nan 0.000 0.517 646 K N 2.168 122.591 120.400 0.038 0.000 2.599 646 K HA 0.114 4.434 4.320 -0.000 0.000 0.300 646 K C -1.247 175.370 176.600 0.028 0.000 1.437 646 K CA -0.626 55.681 56.287 0.033 0.000 0.989 646 K CB 0.165 32.686 32.500 0.035 0.000 1.423 646 K HN 0.646 nan 8.250 nan 0.000 0.507 647 N N 1.864 120.580 118.700 0.025 0.000 3.734 647 N HA -0.144 4.596 4.740 -0.000 0.000 0.293 647 N C -0.389 175.134 175.510 0.022 0.000 2.048 647 N CA 0.749 53.812 53.050 0.022 0.000 2.515 647 N CB 0.307 38.806 38.487 0.020 0.000 0.580 647 N HN 0.445 nan 8.380 nan 0.000 0.627 648 K N 1.914 122.326 120.400 0.020 0.000 2.574 648 K HA 0.068 4.388 4.320 -0.000 0.000 0.193 648 K C 0.928 177.537 176.600 0.015 0.000 1.035 648 K CA 0.729 57.026 56.287 0.018 0.000 0.982 648 K CB -0.045 32.465 32.500 0.016 0.000 0.795 648 K HN 0.525 nan 8.250 nan 0.000 0.491 649 N N -0.880 117.830 118.700 0.016 0.000 2.171 649 N HA 0.099 4.839 4.740 -0.000 0.000 0.212 649 N C -0.737 174.783 175.510 0.018 0.000 1.184 649 N CA -0.005 53.053 53.050 0.014 0.000 0.888 649 N CB 0.668 39.163 38.487 0.012 0.000 1.038 649 N HN -0.083 nan 8.380 nan 0.000 0.517 650 S N -0.237 115.476 115.700 0.021 0.000 2.654 650 S HA 0.656 5.126 4.470 -0.000 0.000 0.283 650 S C -0.538 174.080 174.600 0.029 0.000 1.180 650 S CA -0.449 57.767 58.200 0.026 0.000 1.021 650 S CB 0.762 63.979 63.200 0.029 0.000 1.018 650 S HN 0.071 nan 8.310 nan 0.000 0.532 651 I N 2.540 123.131 120.570 0.035 0.000 2.498 651 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 651 I C -0.210 175.938 176.117 0.052 0.000 1.032 651 I CA -0.963 60.360 61.300 0.039 0.000 1.073 651 I CB 1.951 39.972 38.000 0.035 0.000 1.251 651 I HN 0.432 nan 8.210 nan 0.000 0.426 652 V N 1.561 121.510 119.914 0.057 0.000 3.032 652 V HA 0.117 4.237 4.120 -0.000 0.000 0.307 652 V C -0.403 175.746 176.094 0.093 0.000 1.097 652 V CA -0.038 62.307 62.300 0.075 0.000 1.191 652 V CB 0.121 31.988 31.823 0.074 0.000 0.964 652 V HN 0.687 nan 8.190 nan 0.000 0.494 653 D N 3.753 124.232 120.400 0.131 0.000 2.441 653 D HA 0.340 4.980 4.640 -0.000 0.000 0.287 653 D C -2.722 173.711 176.300 0.221 0.000 1.198 653 D CA -0.937 53.161 54.000 0.162 0.000 0.894 653 D CB 1.296 42.217 40.800 0.202 0.000 1.070 653 D HN 0.525 nan 8.370 nan 0.000 0.499 654 P HA 0.154 nan 4.420 nan 0.000 0.275 654 P C -0.219 177.383 177.300 0.503 0.000 1.228 654 P CA -0.319 62.988 63.100 0.345 0.000 0.786 654 P CB 1.507 33.452 31.700 0.409 0.000 0.927 655 K N 0.431 121.023 120.400 0.320 0.000 2.512 655 K HA 0.633 4.953 4.320 -0.000 0.000 0.263 655 K C -1.766 174.739 176.600 -0.159 0.000 0.966 655 K CA -1.077 55.295 56.287 0.142 0.000 0.851 655 K CB 1.644 34.219 32.500 0.125 0.000 1.395 655 K HN 0.122 nan 8.250 nan 0.000 0.440 656 V N 2.694 122.345 119.914 -0.438 0.000 2.540 656 V HA 0.445 4.565 4.120 -0.000 0.000 0.302 656 V C -0.377 175.601 176.094 -0.193 0.000 1.035 656 V CA -0.918 61.158 62.300 -0.374 0.000 0.873 656 V CB 1.500 32.964 31.823 -0.599 0.000 0.992 656 V HN 0.648 nan 8.190 nan 0.000 0.428 657 I N 4.709 125.197 120.570 -0.137 0.000 2.441 657 I HA 0.543 4.713 4.170 -0.000 0.000 0.295 657 I C -0.514 175.495 176.117 -0.180 0.000 0.994 657 I CA -0.665 60.552 61.300 -0.138 0.000 1.144 657 I CB 1.962 39.922 38.000 -0.066 0.000 1.314 657 I HN 0.257 nan 8.210 nan 0.000 0.445 658 V N 6.130 125.886 119.914 -0.263 0.000 2.444 658 V HA 0.395 4.515 4.120 -0.000 0.000 0.294 658 V C -0.256 175.679 176.094 -0.266 0.000 1.022 658 V CA -0.618 61.488 62.300 -0.324 0.000 0.850 658 V CB 2.069 33.715 31.823 -0.294 0.000 0.992 658 V HN 0.741 nan 8.190 nan 0.000 0.426 659 E N 4.692 124.754 120.200 -0.231 0.000 2.277 659 E HA 0.623 4.973 4.350 -0.000 0.000 0.266 659 E C -1.390 175.108 176.600 -0.169 0.000 0.901 659 E CA -0.933 55.381 56.400 -0.143 0.000 0.782 659 E CB 2.709 32.506 29.700 0.161 0.000 1.228 659 E HN 0.339 nan 8.360 nan 0.000 0.424 660 I N 2.513 122.960 120.570 -0.206 0.000 2.378 660 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 660 I C -0.687 175.477 176.117 0.079 0.000 0.992 660 I CA -0.706 60.519 61.300 -0.125 0.000 1.154 660 I CB 0.693 38.515 38.000 -0.296 0.000 1.315 660 I HN 0.521 nan 8.210 nan 0.000 0.448 661 H N 3.706 122.744 119.070 -0.052 0.000 2.489 661 H HA 0.845 5.401 4.556 -0.000 0.000 0.343 661 H C 0.512 175.853 175.328 0.021 0.000 1.086 661 H CA -0.505 55.541 56.048 -0.003 0.000 1.198 661 H CB 2.015 31.798 29.762 0.035 0.000 1.490 661 H HN 0.848 nan 8.280 nan 0.000 0.504 662 G N 0.216 109.079 108.800 0.104 0.000 2.452 662 G HA2 0.256 4.216 3.960 -0.000 0.000 0.224 662 G HA3 0.256 4.216 3.960 -0.000 0.000 0.224 662 G C -0.773 174.163 174.900 0.059 0.000 1.208 662 G CA -0.271 44.880 45.100 0.086 0.000 0.946 662 G HN 0.741 nan 8.290 nan 0.000 0.481 663 V N 0.810 120.759 119.914 0.059 0.000 2.999 663 V HA 0.508 4.628 4.120 -0.000 0.000 0.307 663 V C 1.900 178.007 176.094 0.023 0.000 1.084 663 V CA 1.344 63.681 62.300 0.062 0.000 1.155 663 V CB 0.534 32.417 31.823 0.099 0.000 0.975 663 V HN 2.075 nan 8.190 nan 0.000 0.490 664 G N 3.931 112.738 108.800 0.013 0.000 2.556 664 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 664 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 664 G C 1.454 176.355 174.900 0.003 0.000 1.156 664 G CA 1.365 46.464 45.100 -0.002 0.000 0.766 664 G HN 1.105 nan 8.290 nan 0.000 0.583 665 R N -0.108 120.405 120.500 0.022 0.000 2.148 665 R HA 0.024 4.364 4.340 -0.000 0.000 0.227 665 R C 1.423 177.730 176.300 0.012 0.000 1.103 665 R CA 1.597 57.715 56.100 0.030 0.000 0.983 665 R CB -0.357 29.985 30.300 0.070 0.000 0.874 665 R HN 0.164 nan 8.270 nan 0.000 0.451 666 D N 1.524 121.918 120.400 -0.009 0.000 2.323 666 D HA -0.059 4.581 4.640 -0.000 0.000 0.209 666 D C 0.400 176.682 176.300 -0.029 0.000 0.973 666 D CA 1.250 55.230 54.000 -0.033 0.000 0.874 666 D CB -0.063 40.692 40.800 -0.076 0.000 0.930 666 D HN 0.406 nan 8.370 nan 0.000 0.521 667 T N -0.862 113.671 114.554 -0.036 0.000 2.902 667 T HA 0.470 4.820 4.350 -0.000 0.000 0.301 667 T C 0.473 175.145 174.700 -0.047 0.000 1.012 667 T CA -0.309 61.748 62.100 -0.072 0.000 1.151 667 T CB 1.492 70.295 68.868 -0.107 0.000 0.946 667 T HN 0.065 nan 8.240 nan 0.000 0.542 668 G N 0.709 109.469 108.800 -0.067 0.000 2.660 668 G HA2 0.600 4.560 3.960 -0.000 0.000 0.290 668 G HA3 0.600 4.560 3.960 -0.000 0.000 0.290 668 G C -1.351 173.530 174.900 -0.031 0.000 1.432 668 G CA -0.626 44.483 45.100 0.016 0.000 0.807 668 G HN 1.056 nan 8.290 nan 0.000 0.485 669 S N -0.712 115.009 115.700 0.034 0.000 2.537 669 S HA 0.828 5.298 4.470 -0.000 0.000 0.270 669 S C -1.214 173.352 174.600 -0.057 0.000 1.142 669 S CA -0.818 57.362 58.200 -0.033 0.000 0.870 669 S CB 1.592 64.758 63.200 -0.057 0.000 1.112 669 S HN 0.720 nan 8.310 nan 0.000 0.466 670 R N 1.828 122.190 120.500 -0.230 0.000 2.774 670 R HA 0.511 4.851 4.340 -0.000 0.000 0.272 670 R C -1.311 174.635 176.300 -0.590 0.000 1.000 670 R CA -0.721 55.068 56.100 -0.519 0.000 0.906 670 R CB 1.863 31.498 30.300 -1.108 0.000 1.227 670 R HN 0.908 nan 8.270 nan 0.000 0.468 671 Q N -0.688 118.868 119.800 -0.406 0.000 2.421 671 Q HA 0.533 4.873 4.340 -0.000 0.000 0.280 671 Q C -0.647 175.424 176.000 0.119 0.000 1.085 671 Q CA -0.890 54.819 55.803 -0.157 0.000 0.807 671 Q CB 2.195 30.890 28.738 -0.072 0.000 1.405 671 Q HN 0.643 nan 8.270 nan 0.000 0.419 672 T N -1.272 113.360 114.554 0.130 0.000 2.849 672 T HA 0.764 5.114 4.350 -0.000 0.000 0.276 672 T C 0.530 175.289 174.700 0.098 0.000 0.971 672 T CA -0.105 62.066 62.100 0.118 0.000 0.949 672 T CB 0.994 69.703 68.868 -0.264 0.000 1.093 672 T HN 0.805 nan 8.240 nan 0.000 0.545 673 A N 0.319 123.254 122.820 0.192 0.000 2.292 673 A HA 0.600 4.919 4.320 -0.000 0.000 0.265 673 A C 0.066 177.813 177.584 0.270 0.000 1.133 673 A CA -0.730 51.411 52.037 0.173 0.000 0.807 673 A CB -0.105 18.997 19.000 0.170 0.000 1.102 673 A HN 0.823 nan 8.150 nan 0.000 0.502 674 V N 1.210 121.207 119.914 0.137 0.000 2.427 674 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 674 V C -0.337 175.834 176.094 0.128 0.000 1.034 674 V CA -0.507 61.888 62.300 0.158 0.000 0.893 674 V CB 1.192 32.963 31.823 -0.086 0.000 0.982 674 V HN 0.565 nan 8.190 nan 0.000 0.452 675 I N 3.296 123.948 120.570 0.137 0.000 2.385 675 I HA 0.353 4.523 4.170 -0.000 0.000 0.294 675 I C 0.621 176.743 176.117 0.008 0.000 0.988 675 I CA -0.060 61.210 61.300 -0.050 0.000 1.265 675 I CB 1.506 39.331 38.000 -0.292 0.000 1.388 675 I HN 0.542 nan 8.210 nan 0.000 0.480 676 T N 5.852 120.402 114.554 -0.006 0.000 2.806 676 T HA 0.206 4.556 4.350 -0.000 0.000 0.290 676 T C 0.411 175.121 174.700 0.017 0.000 0.966 676 T CA -0.294 61.822 62.100 0.027 0.000 1.060 676 T CB 0.172 69.055 68.868 0.026 0.000 0.927 676 T HN 0.528 nan 8.240 nan 0.000 0.485 677 N N 2.967 121.691 118.700 0.039 0.000 2.705 677 N HA -0.185 4.555 4.740 -0.000 0.000 0.255 677 N C -0.730 174.792 175.510 0.019 0.000 1.008 677 N CA 0.669 53.738 53.050 0.033 0.000 0.742 677 N CB -1.006 37.498 38.487 0.028 0.000 0.906 677 N HN 0.612 nan 8.380 nan 0.000 0.541 678 N N -0.876 117.833 118.700 0.015 0.000 2.599 678 N HA 0.444 5.184 4.740 -0.000 0.000 0.283 678 N C 0.589 176.106 175.510 0.011 0.000 1.160 678 N CA 0.154 53.206 53.050 0.003 0.000 0.869 678 N CB 0.935 39.390 38.487 -0.054 0.000 1.448 678 N HN 0.153 nan 8.380 nan 0.000 0.535 679 G N 1.198 110.032 108.800 0.056 0.000 2.833 679 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.214 679 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.214 679 G C 0.755 175.701 174.900 0.077 0.000 1.075 679 G CA -0.071 45.066 45.100 0.062 0.000 0.799 679 G HN 0.465 nan 8.290 nan 0.000 0.541 680 F N 3.014 122.933 119.950 -0.051 0.000 2.163 680 F HA 0.105 4.632 4.527 -0.000 0.000 0.297 680 F C 0.985 176.740 175.800 -0.074 0.000 1.094 680 F CA 1.368 59.330 58.000 -0.062 0.000 1.290 680 F CB 0.451 39.411 39.000 -0.067 0.000 1.017 680 F HN 0.285 nan 8.300 nan 0.000 0.483 681 N N -1.277 117.324 118.700 -0.165 0.000 2.605 681 N HA 0.174 4.914 4.740 -0.000 0.000 0.265 681 N C -3.273 172.108 175.510 -0.215 0.000 1.625 681 N CA -1.497 51.384 53.050 -0.281 0.000 0.862 681 N CB -0.813 37.466 38.487 -0.346 0.000 1.415 681 N HN 0.025 nan 8.380 nan 0.000 0.513 682 P HA 0.105 nan 4.420 nan 0.000 0.268 682 P C -0.532 176.410 177.300 -0.596 0.000 1.208 682 P CA 0.082 62.875 63.100 -0.512 0.000 0.777 682 P CB 1.028 32.274 31.700 -0.758 0.000 0.875 683 R N 2.173 122.300 120.500 -0.621 0.000 2.502 683 R HA 0.316 4.656 4.340 -0.000 0.000 0.300 683 R C 0.196 176.264 176.300 -0.386 0.000 0.984 683 R CA -0.503 55.383 56.100 -0.356 0.000 0.882 683 R CB 0.821 31.022 30.300 -0.165 0.000 1.180 683 R HN 0.496 nan 8.270 nan 0.000 0.444 684 W N 1.565 122.872 121.300 0.011 0.000 2.850 684 W HA 0.150 4.810 4.660 0.000 0.000 0.260 684 W C -0.063 176.439 176.519 -0.029 0.000 1.129 684 W CA 0.138 57.478 57.345 -0.007 0.000 1.587 684 W CB 0.317 29.773 29.460 -0.007 0.000 1.041 684 W HN 0.618 nan 8.180 nan 0.000 0.614 685 D N 0.772 121.311 120.400 0.231 0.000 2.689 685 D HA -0.208 4.432 4.640 -0.000 0.000 0.237 685 D C -0.397 175.918 176.300 0.025 0.000 1.148 685 D CA 1.050 55.111 54.000 0.102 0.000 0.656 685 D CB -1.231 39.610 40.800 0.069 0.000 1.050 685 D HN 0.046 nan 8.370 nan 0.000 0.426 686 M N 0.639 120.217 119.600 -0.036 0.000 2.528 686 M HA 0.472 4.952 4.480 -0.000 0.000 0.321 686 M C -0.696 175.303 176.300 -0.502 0.000 1.153 686 M CA -0.374 54.781 55.300 -0.243 0.000 0.951 686 M CB 1.951 34.393 32.600 -0.264 0.000 1.705 686 M HN 0.041 nan 8.290 nan 0.000 0.451 687 E N 2.900 122.766 120.200 -0.557 0.000 2.266 687 E HA 0.589 4.939 4.350 -0.000 0.000 0.268 687 E C -1.936 174.301 176.600 -0.606 0.000 0.879 687 E CA -0.592 55.483 56.400 -0.542 0.000 0.762 687 E CB 1.244 30.795 29.700 -0.248 0.000 1.199 687 E HN 0.620 nan 8.360 nan 0.000 0.422 688 F N 1.288 121.154 119.950 -0.141 0.000 2.579 688 F HA 0.465 4.992 4.527 0.000 0.000 0.324 688 F C -0.101 175.479 175.800 -0.366 0.000 1.058 688 F CA -0.926 56.895 58.000 -0.298 0.000 0.944 688 F CB 1.929 40.723 39.000 -0.343 0.000 1.245 688 F HN 0.450 nan 8.300 nan 0.000 0.477 689 E N 1.264 121.245 120.200 -0.365 0.000 2.275 689 E HA 0.633 4.983 4.350 -0.000 0.000 0.270 689 E C -2.133 174.149 176.600 -0.531 0.000 0.882 689 E CA -0.438 55.785 56.400 -0.296 0.000 0.758 689 E CB 1.394 31.013 29.700 -0.135 0.000 1.195 689 E HN 0.415 nan 8.360 nan 0.000 0.419 690 F N 1.685 121.675 119.950 0.067 0.000 2.576 690 F HA 0.352 4.879 4.527 0.000 0.000 0.313 690 F C -0.226 175.600 175.800 0.044 0.000 1.078 690 F CA -0.975 57.055 58.000 0.050 0.000 0.921 690 F CB 2.094 41.134 39.000 0.066 0.000 1.232 690 F HN 0.436 nan 8.300 nan 0.000 0.459 691 E N 1.685 121.998 120.200 0.187 0.000 2.151 691 E HA 0.655 5.005 4.350 -0.000 0.000 0.275 691 E C -1.890 174.714 176.600 0.007 0.000 0.936 691 E CA -0.489 55.953 56.400 0.071 0.000 0.777 691 E CB 1.469 31.185 29.700 0.027 0.000 1.108 691 E HN 0.422 nan 8.360 nan 0.000 0.401 692 V N 5.301 125.150 119.914 -0.108 0.000 2.376 692 V HA 0.183 4.303 4.120 -0.000 0.000 0.287 692 V C 1.045 176.884 176.094 -0.425 0.000 1.015 692 V CA -0.020 62.114 62.300 -0.276 0.000 0.834 692 V CB 1.162 32.703 31.823 -0.471 0.000 1.001 692 V HN 1.007 nan 8.190 nan 0.000 0.428 693 T N 1.528 115.813 114.554 -0.449 0.000 2.978 693 T HA 0.027 4.377 4.350 -0.000 0.000 0.262 693 T C 0.587 174.911 174.700 -0.627 0.000 1.063 693 T CA 0.596 62.242 62.100 -0.757 0.000 1.140 693 T CB 0.156 68.436 68.868 -0.979 0.000 0.886 693 T HN 0.361 nan 8.240 nan 0.000 0.470 694 V N 3.474 123.162 119.914 -0.377 0.000 2.361 694 V HA 0.303 4.422 4.120 -0.000 0.000 0.252 694 V C -1.694 174.214 176.094 -0.310 0.000 0.986 694 V CA -1.644 60.522 62.300 -0.223 0.000 1.033 694 V CB 0.946 32.771 31.823 0.003 0.000 1.282 694 V HN 0.199 nan 8.190 nan 0.000 0.514 695 P HA -0.171 nan 4.420 nan 0.000 0.217 695 P C 0.973 177.998 177.300 -0.459 0.000 1.148 695 P CA 1.298 63.818 63.100 -0.965 0.000 0.828 695 P CB 0.412 31.244 31.700 -1.446 0.000 0.783 696 D N -0.760 119.523 120.400 -0.194 0.000 2.351 696 D HA -0.047 4.593 4.640 -0.000 0.000 0.216 696 D C 1.515 177.802 176.300 -0.022 0.000 0.968 696 D CA 0.830 54.814 54.000 -0.026 0.000 0.899 696 D CB -0.086 40.779 40.800 0.109 0.000 0.907 696 D HN 0.312 nan 8.370 nan 0.000 0.514 697 L N -0.678 120.533 121.223 -0.020 0.000 3.016 697 L HA 0.332 4.672 4.340 -0.000 0.000 0.267 697 L C 0.647 177.544 176.870 0.045 0.000 1.182 697 L CA -0.286 54.568 54.840 0.024 0.000 0.997 697 L CB 0.650 42.764 42.059 0.092 0.000 1.354 697 L HN -0.180 nan 8.230 nan 0.000 0.569 698 A N 0.692 123.516 122.820 0.007 0.000 2.264 698 A HA 0.825 5.145 4.320 -0.000 0.000 0.304 698 A C -0.777 176.906 177.584 0.166 0.000 1.100 698 A CA -0.176 51.904 52.037 0.071 0.000 0.839 698 A CB 0.932 19.919 19.000 -0.023 0.000 1.121 698 A HN 0.128 nan 8.150 nan 0.000 0.496 699 L N 0.265 121.590 121.223 0.169 0.000 2.445 699 L HA 0.516 4.856 4.340 -0.000 0.000 0.262 699 L C -0.844 176.081 176.870 0.092 0.000 0.974 699 L CA -0.412 54.498 54.840 0.118 0.000 0.822 699 L CB 2.248 44.347 42.059 0.066 0.000 1.339 699 L HN 0.393 nan 8.230 nan 0.000 0.409 700 V N 2.173 122.128 119.914 0.068 0.000 2.417 700 V HA 0.594 4.714 4.120 -0.000 0.000 0.291 700 V C -0.237 175.912 176.094 0.092 0.000 1.024 700 V CA -0.592 61.736 62.300 0.047 0.000 0.861 700 V CB 1.650 33.519 31.823 0.078 0.000 0.985 700 V HN 0.704 nan 8.190 nan 0.000 0.436 701 R N 3.750 124.250 120.500 0.000 0.000 2.494 701 R HA 0.617 4.957 4.340 -0.000 0.000 0.305 701 R C -1.797 174.542 176.300 0.065 0.000 0.959 701 R CA -0.525 55.614 56.100 0.065 0.000 0.864 701 R CB 1.200 31.418 30.300 -0.136 0.000 1.159 701 R HN 0.493 nan 8.270 nan 0.000 0.446 702 F N 4.570 124.512 119.950 -0.013 0.000 2.411 702 F HA 0.454 4.981 4.527 -0.000 0.000 0.352 702 F C 0.186 175.984 175.800 -0.003 0.000 1.123 702 F CA -0.648 57.346 58.000 -0.008 0.000 1.044 702 F CB 1.791 40.790 39.000 -0.002 0.000 1.135 702 F HN 0.343 nan 8.300 nan 0.000 0.461 703 M N 4.414 124.058 119.600 0.074 0.000 2.326 703 M HA 0.709 5.189 4.480 -0.000 0.000 0.306 703 M C -1.940 174.333 176.300 -0.045 0.000 1.054 703 M CA -0.609 54.714 55.300 0.038 0.000 0.922 703 M CB 1.517 34.169 32.600 0.086 0.000 1.632 703 M HN 0.266 nan 8.290 nan 0.000 0.436 704 V N 4.144 123.983 119.914 -0.125 0.000 2.459 704 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 704 V C -0.531 175.479 176.094 -0.139 0.000 1.029 704 V CA -0.564 61.663 62.300 -0.121 0.000 0.874 704 V CB 1.700 33.464 31.823 -0.098 0.000 0.985 704 V HN 0.873 nan 8.190 nan 0.000 0.438 705 E N 1.771 121.957 120.200 -0.024 0.000 2.312 705 E HA 0.365 4.714 4.350 -0.000 0.000 0.267 705 E C -1.450 175.206 176.600 0.093 0.000 0.894 705 E CA -0.829 55.590 56.400 0.032 0.000 0.773 705 E CB 2.425 32.175 29.700 0.083 0.000 1.241 705 E HN 0.665 nan 8.360 nan 0.000 0.432 706 D N 1.888 122.343 120.400 0.093 0.000 2.428 706 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 706 D C -1.199 175.182 176.300 0.135 0.000 1.123 706 D CA -0.356 53.715 54.000 0.118 0.000 0.869 706 D CB -0.045 40.804 40.800 0.081 0.000 1.032 706 D HN 0.322 nan 8.370 nan 0.000 0.506 707 Y N 3.386 123.732 120.300 0.076 0.000 2.620 707 Y HA 0.188 4.738 4.550 0.000 0.000 0.330 707 Y C -0.273 175.662 175.900 0.060 0.000 1.186 707 Y CA 0.544 58.685 58.100 0.070 0.000 1.467 707 Y CB 0.544 39.052 38.460 0.080 0.000 1.262 707 Y HN 0.260 nan 8.280 nan 0.000 0.550 708 D N 3.793 123.676 120.400 -0.861 0.000 2.696 708 D HA 0.149 4.789 4.640 -0.000 0.000 0.251 708 D C 0.388 176.141 176.300 -0.912 0.000 1.188 708 D CA 0.081 53.677 54.000 -0.673 0.000 0.876 708 D CB 1.930 42.570 40.800 -0.267 0.000 1.334 708 D HN 0.740 nan 8.370 nan 0.000 0.540 709 S N 2.031 117.398 115.700 -0.556 0.000 2.349 709 S HA -0.203 4.267 4.470 -0.000 0.000 0.216 709 S C 1.942 176.465 174.600 -0.129 0.000 1.033 709 S CA 1.555 59.639 58.200 -0.193 0.000 1.021 709 S CB -0.620 62.617 63.200 0.061 0.000 0.968 709 S HN 0.488 nan 8.310 nan 0.000 0.426 710 S N 1.598 117.247 115.700 -0.086 0.000 2.440 710 S HA 0.055 4.525 4.470 -0.000 0.000 0.238 710 S C 0.941 175.503 174.600 -0.062 0.000 1.010 710 S CA 0.635 58.805 58.200 -0.050 0.000 0.972 710 S CB -0.634 62.548 63.200 -0.029 0.000 0.774 710 S HN 0.709 nan 8.310 nan 0.000 0.501 711 S N -0.221 115.415 115.700 -0.107 0.000 2.880 711 S HA 0.610 5.080 4.470 -0.000 0.000 0.308 711 S C -0.983 173.553 174.600 -0.106 0.000 1.195 711 S CA -1.220 56.931 58.200 -0.082 0.000 0.866 711 S CB 0.773 63.942 63.200 -0.051 0.000 1.254 711 S HN 0.156 nan 8.310 nan 0.000 0.571 712 K N 1.557 121.924 120.400 -0.056 0.000 2.382 712 K HA 0.261 4.581 4.320 -0.000 0.000 0.275 712 K C -0.673 175.902 176.600 -0.042 0.000 1.009 712 K CA 0.035 56.301 56.287 -0.034 0.000 0.970 712 K CB 0.046 32.545 32.500 -0.000 0.000 0.934 712 K HN 0.434 nan 8.250 nan 0.000 0.479 713 N N 3.127 121.812 118.700 -0.025 0.000 2.520 713 N HA 0.051 4.791 4.740 -0.000 0.000 0.273 713 N C -0.987 174.558 175.510 0.059 0.000 1.155 713 N CA -0.091 52.960 53.050 0.001 0.000 0.967 713 N CB 0.549 39.065 38.487 0.048 0.000 1.092 713 N HN 0.481 nan 8.380 nan 0.000 0.457 714 D N 0.803 121.243 120.400 0.067 0.000 2.345 714 D HA 0.051 4.691 4.640 -0.000 0.000 0.247 714 D C -0.051 176.343 176.300 0.157 0.000 1.108 714 D CA -0.155 53.912 54.000 0.112 0.000 0.894 714 D CB 0.504 41.359 40.800 0.093 0.000 1.203 714 D HN 0.345 nan 8.370 nan 0.000 0.430 715 F N 1.853 121.834 119.950 0.051 0.000 2.456 715 F HA 0.201 4.728 4.527 0.000 0.000 0.358 715 F C 0.626 176.469 175.800 0.072 0.000 1.095 715 F CA -0.090 57.946 58.000 0.061 0.000 1.216 715 F CB 0.387 39.420 39.000 0.054 0.000 1.125 715 F HN 0.308 nan 8.300 nan 0.000 0.549 716 I N 3.632 123.905 120.570 -0.494 0.000 3.039 716 I HA 0.373 4.543 4.170 -0.000 0.000 0.270 716 I C 1.125 176.927 176.117 -0.525 0.000 1.150 716 I CA 0.496 61.603 61.300 -0.322 0.000 1.448 716 I CB 0.084 37.982 38.000 -0.170 0.000 1.197 716 I HN 0.754 nan 8.210 nan 0.000 0.450 717 G N -0.278 107.953 108.800 -0.949 0.000 2.523 717 G HA2 0.492 4.452 3.960 -0.000 0.000 0.291 717 G HA3 0.492 4.452 3.960 -0.000 0.000 0.291 717 G C -2.070 172.565 174.900 -0.442 0.000 1.450 717 G CA -0.244 44.538 45.100 -0.531 0.000 0.790 717 G HN -0.089 nan 8.290 nan 0.000 0.496 718 Q N -0.791 119.022 119.800 0.022 0.000 2.575 718 Q HA 0.707 5.047 4.340 -0.000 0.000 0.290 718 Q C -1.942 174.157 176.000 0.165 0.000 0.963 718 Q CA -0.681 55.213 55.803 0.153 0.000 0.783 718 Q CB 2.009 30.986 28.738 0.399 0.000 1.467 718 Q HN 1.141 nan 8.270 nan 0.000 0.402 719 S N 0.494 116.294 115.700 0.167 0.000 2.562 719 S HA 0.619 5.089 4.470 -0.000 0.000 0.274 719 S C -1.769 172.930 174.600 0.164 0.000 1.160 719 S CA -0.163 58.117 58.200 0.133 0.000 0.933 719 S CB 1.618 64.849 63.200 0.051 0.000 1.100 719 S HN 0.512 nan 8.310 nan 0.000 0.468 720 T N 5.215 119.858 114.554 0.148 0.000 2.812 720 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 720 T C -0.702 174.096 174.700 0.164 0.000 0.990 720 T CA -0.352 61.822 62.100 0.123 0.000 0.960 720 T CB 0.560 69.463 68.868 0.058 0.000 0.948 720 T HN 0.559 nan 8.240 nan 0.000 0.438 721 I N 4.954 125.576 120.570 0.087 0.000 2.418 721 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 721 I C -2.521 173.531 176.117 -0.108 0.000 1.008 721 I CA -2.850 58.414 61.300 -0.061 0.000 1.104 721 I CB 2.352 40.253 38.000 -0.165 0.000 1.264 721 I HN 0.280 nan 8.210 nan 0.000 0.438 722 P HA -0.081 nan 4.420 nan 0.000 0.268 722 P C 0.653 177.915 177.300 -0.063 0.000 1.204 722 P CA -0.072 62.974 63.100 -0.089 0.000 0.768 722 P CB 0.672 32.287 31.700 -0.142 0.000 0.842 723 W N 4.329 125.559 121.300 -0.118 0.000 2.277 723 W HA -0.295 4.365 4.660 -0.000 0.000 0.327 723 W C 0.704 177.167 176.519 -0.093 0.000 1.284 723 W CA 1.932 59.221 57.345 -0.093 0.000 1.277 723 W CB -0.738 28.682 29.460 -0.066 0.000 1.141 723 W HN 0.365 nan 8.180 nan 0.000 0.482 724 N N 0.133 118.917 118.700 0.139 0.000 2.571 724 N HA -0.062 4.678 4.740 -0.000 0.000 0.189 724 N C 1.054 176.584 175.510 0.034 0.000 1.154 724 N CA 1.128 54.230 53.050 0.086 0.000 0.907 724 N CB -0.067 38.518 38.487 0.163 0.000 0.977 724 N HN 0.027 nan 8.380 nan 0.000 0.449 725 S N -0.060 115.567 115.700 -0.122 0.000 2.559 725 S HA 0.165 4.635 4.470 -0.000 0.000 0.226 725 S C 0.299 174.645 174.600 -0.423 0.000 1.000 725 S CA -0.520 57.557 58.200 -0.206 0.000 0.948 725 S CB 0.690 63.631 63.200 -0.433 0.000 0.870 725 S HN 0.119 nan 8.310 nan 0.000 0.497 726 L N 3.854 124.832 121.223 -0.407 0.000 2.433 726 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 726 L C -0.087 176.576 176.870 -0.346 0.000 1.128 726 L CA 0.218 54.815 54.840 -0.404 0.000 0.875 726 L CB 0.073 41.831 42.059 -0.502 0.000 1.171 726 L HN -0.152 nan 8.230 nan 0.000 0.463 727 K N 4.467 124.703 120.400 -0.274 0.000 2.154 727 K HA 0.314 4.634 4.320 -0.000 0.000 0.264 727 K C -0.268 176.199 176.600 -0.223 0.000 1.008 727 K CA -0.347 55.804 56.287 -0.225 0.000 0.937 727 K CB 0.918 33.317 32.500 -0.169 0.000 1.002 727 K HN 0.646 nan 8.250 nan 0.000 0.469 728 Q N -0.281 119.393 119.800 -0.209 0.000 2.180 728 Q HA 0.548 4.888 4.340 -0.000 0.000 0.241 728 Q C 0.410 176.269 176.000 -0.236 0.000 0.970 728 Q CA -0.534 55.134 55.803 -0.225 0.000 0.919 728 Q CB 1.399 30.007 28.738 -0.217 0.000 1.222 728 Q HN 0.818 nan 8.270 nan 0.000 0.482 729 G N -0.167 108.449 108.800 -0.305 0.000 2.508 729 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 729 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 729 G C -1.433 173.216 174.900 -0.419 0.000 1.287 729 G CA -0.767 44.096 45.100 -0.396 0.000 0.916 729 G HN 0.455 nan 8.290 nan 0.000 0.574 730 Y N 2.260 122.469 120.300 -0.151 0.000 2.359 730 Y HA 0.692 5.242 4.550 -0.000 0.000 0.334 730 Y C 1.380 177.132 175.900 -0.246 0.000 1.058 730 Y CA 0.068 58.024 58.100 -0.241 0.000 1.244 730 Y CB 1.012 39.514 38.460 0.070 0.000 1.187 730 Y HN 0.539 nan 8.280 nan 0.000 0.510 731 R N 1.311 121.643 120.500 -0.279 0.000 2.764 731 R HA 0.386 4.726 4.340 -0.000 0.000 0.270 731 R C -1.624 174.530 176.300 -0.244 0.000 1.014 731 R CA -1.322 54.665 56.100 -0.189 0.000 0.904 731 R CB 1.664 31.868 30.300 -0.159 0.000 1.236 731 R HN 0.708 nan 8.270 nan 0.000 0.466 732 H N -0.527 118.568 119.070 0.043 0.000 2.466 732 H HA 0.392 4.948 4.556 -0.000 0.000 0.338 732 H C -0.482 174.865 175.328 0.032 0.000 1.091 732 H CA -0.537 55.550 56.048 0.064 0.000 1.207 732 H CB 1.981 31.765 29.762 0.038 0.000 1.466 732 H HN 0.036 nan 8.280 nan 0.000 0.493 733 V N 4.292 124.228 119.914 0.038 0.000 2.385 733 V HA 0.056 4.176 4.120 -0.000 0.000 0.269 733 V C -0.300 175.800 176.094 0.010 0.000 1.043 733 V CA -0.560 61.707 62.300 -0.056 0.000 0.906 733 V CB 0.159 31.782 31.823 -0.333 0.000 0.995 733 V HN 0.800 nan 8.190 nan 0.000 0.467 734 H N 5.003 124.059 119.070 -0.023 0.000 2.846 734 H HA 0.408 4.964 4.556 -0.000 0.000 0.278 734 H C -0.022 175.320 175.328 0.023 0.000 1.117 734 H CA -0.342 55.709 56.048 0.005 0.000 1.406 734 H CB 0.298 30.056 29.762 -0.008 0.000 1.445 734 H HN 0.505 nan 8.280 nan 0.000 0.469 735 L N 4.610 125.890 121.223 0.096 0.000 2.453 735 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 735 L C 0.049 177.028 176.870 0.182 0.000 1.182 735 L CA 0.038 54.954 54.840 0.127 0.000 0.858 735 L CB 0.260 42.379 42.059 0.099 0.000 1.120 735 L HN 0.392 nan 8.230 nan 0.000 0.474 736 L N 2.074 123.392 121.223 0.159 0.000 2.334 736 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 736 L C 0.572 177.559 176.870 0.195 0.000 1.020 736 L CA -0.596 54.304 54.840 0.101 0.000 0.812 736 L CB 1.870 43.980 42.059 0.085 0.000 1.264 736 L HN 0.734 nan 8.230 nan 0.000 0.439 737 S N 0.070 115.787 115.700 0.028 0.000 2.655 737 S HA 0.215 4.685 4.470 -0.000 0.000 0.265 737 S C 0.882 175.626 174.600 0.240 0.000 1.240 737 S CA -0.583 57.748 58.200 0.218 0.000 0.986 737 S CB 1.118 64.304 63.200 -0.023 0.000 0.985 737 S HN 0.653 nan 8.310 nan 0.000 0.562 738 K N 0.653 121.166 120.400 0.188 0.000 2.127 738 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 738 K C 1.012 177.537 176.600 -0.124 0.000 1.047 738 K CA 1.718 57.875 56.287 -0.216 0.000 0.927 738 K CB -0.390 31.985 32.500 -0.209 0.000 0.716 738 K HN 0.591 nan 8.250 nan 0.000 0.450 739 N N -0.605 118.065 118.700 -0.051 0.000 2.383 739 N HA 0.009 4.749 4.740 -0.000 0.000 0.192 739 N C 0.831 176.314 175.510 -0.045 0.000 1.141 739 N CA 0.971 53.989 53.050 -0.054 0.000 0.851 739 N CB 1.136 39.601 38.487 -0.037 0.000 0.976 739 N HN 0.391 nan 8.380 nan 0.000 0.465 740 G N 0.902 109.684 108.800 -0.030 0.000 2.179 740 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 740 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 740 G C -0.342 174.538 174.900 -0.033 0.000 0.977 740 G CA -0.102 44.986 45.100 -0.020 0.000 0.641 740 G HN 0.304 nan 8.290 nan 0.000 0.533 741 D N 0.777 121.139 120.400 -0.064 0.000 2.339 741 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 741 D C 0.618 176.827 176.300 -0.152 0.000 1.115 741 D CA 0.038 53.979 54.000 -0.098 0.000 0.917 741 D CB 0.642 41.372 40.800 -0.117 0.000 1.192 741 D HN 0.120 nan 8.370 nan 0.000 0.428 742 Q N 0.828 120.565 119.800 -0.104 0.000 2.327 742 Q HA 0.087 4.427 4.340 -0.000 0.000 0.254 742 Q C -0.409 175.532 176.000 -0.098 0.000 0.952 742 Q CA 0.139 55.904 55.803 -0.064 0.000 0.884 742 Q CB 0.716 29.450 28.738 -0.006 0.000 1.224 742 Q HN 0.350 nan 8.270 nan 0.000 0.422 743 H N 4.479 123.582 119.070 0.055 0.000 2.661 743 H HA 0.139 4.695 4.556 -0.000 0.000 0.290 743 H C -1.348 174.002 175.328 0.037 0.000 1.082 743 H CA -2.200 53.874 56.048 0.043 0.000 1.234 743 H CB 1.015 30.798 29.762 0.035 0.000 1.387 743 H HN 0.386 nan 8.280 nan 0.000 0.476 744 P HA -0.187 nan 4.420 nan 0.000 0.219 744 P C 0.707 178.046 177.300 0.064 0.000 1.158 744 P CA 1.466 64.629 63.100 0.105 0.000 0.895 744 P CB 0.468 32.219 31.700 0.085 0.000 0.792 745 S N -2.112 113.609 115.700 0.034 0.000 2.603 745 S HA 0.452 4.922 4.470 -0.000 0.000 0.232 745 S C 0.884 175.432 174.600 -0.086 0.000 1.016 745 S CA -0.084 58.092 58.200 -0.040 0.000 0.976 745 S CB 0.347 63.528 63.200 -0.032 0.000 0.921 745 S HN 0.311 nan 8.310 nan 0.000 0.516 746 A N 2.838 125.629 122.820 -0.049 0.000 2.310 746 A HA 0.596 4.916 4.320 -0.000 0.000 0.300 746 A C 0.551 178.076 177.584 -0.098 0.000 1.269 746 A CA -0.247 51.744 52.037 -0.078 0.000 0.909 746 A CB -0.154 18.787 19.000 -0.098 0.000 1.144 746 A HN 0.329 nan 8.150 nan 0.000 0.540 747 T N 0.146 114.629 114.554 -0.119 0.000 2.865 747 T HA 0.750 5.100 4.350 -0.000 0.000 0.294 747 T C -0.606 174.114 174.700 0.033 0.000 1.119 747 T CA -0.806 61.219 62.100 -0.126 0.000 1.007 747 T CB 1.124 69.831 68.868 -0.267 0.000 1.225 747 T HN 0.395 nan 8.240 nan 0.000 0.515 748 L N 1.218 122.496 121.223 0.093 0.000 2.365 748 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 748 L C -1.340 175.674 176.870 0.239 0.000 1.000 748 L CA -1.048 53.901 54.840 0.181 0.000 0.819 748 L CB 2.085 44.230 42.059 0.144 0.000 1.284 748 L HN 0.685 nan 8.230 nan 0.000 0.418 749 F N 4.521 124.517 119.950 0.076 0.000 2.404 749 F HA 0.631 5.158 4.527 -0.000 0.000 0.354 749 F C -0.257 175.525 175.800 -0.030 0.000 1.122 749 F CA -0.656 57.264 58.000 -0.134 0.000 1.080 749 F CB 1.215 40.129 39.000 -0.143 0.000 1.131 749 F HN 0.130 nan 8.300 nan 0.000 0.471 750 V N 2.986 122.549 119.914 -0.584 0.000 3.160 750 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 750 V C -1.481 174.314 176.094 -0.498 0.000 1.181 750 V CA -1.120 60.953 62.300 -0.378 0.000 1.047 750 V CB 2.089 33.865 31.823 -0.078 0.000 1.068 750 V HN 0.723 nan 8.190 nan 0.000 0.441 751 K N 1.569 121.773 120.400 -0.326 0.000 2.463 751 K HA 0.674 4.993 4.320 -0.000 0.000 0.255 751 K C -1.796 174.646 176.600 -0.263 0.000 0.942 751 K CA -0.621 55.427 56.287 -0.399 0.000 0.814 751 K CB 1.762 33.975 32.500 -0.479 0.000 1.122 751 K HN 0.805 nan 8.250 nan 0.000 0.425 752 I N 2.856 123.269 120.570 -0.261 0.000 2.382 752 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 752 I C -0.216 175.778 176.117 -0.205 0.000 1.007 752 I CA -0.475 60.715 61.300 -0.184 0.000 1.142 752 I CB 1.857 39.754 38.000 -0.173 0.000 1.289 752 I HN 0.449 nan 8.210 nan 0.000 0.453 753 S N 7.921 123.526 115.700 -0.158 0.000 2.473 753 S HA 0.726 5.196 4.470 -0.000 0.000 0.307 753 S C -0.820 173.721 174.600 -0.098 0.000 1.094 753 S CA -0.542 57.569 58.200 -0.148 0.000 1.070 753 S CB 1.091 64.207 63.200 -0.140 0.000 1.019 753 S HN 0.478 nan 8.310 nan 0.000 0.480 754 I N 3.898 124.409 120.570 -0.099 0.000 2.436 754 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 754 I C -0.234 175.888 176.117 0.010 0.000 1.010 754 I CA -0.452 60.832 61.300 -0.026 0.000 1.098 754 I CB 1.855 39.807 38.000 -0.079 0.000 1.266 754 I HN 0.704 nan 8.210 nan 0.000 0.434 755 Q N 4.939 124.770 119.800 0.051 0.000 2.421 755 Q HA 0.421 4.761 4.340 -0.000 0.000 0.280 755 Q C -1.835 174.193 176.000 0.047 0.000 1.085 755 Q CA -0.666 55.156 55.803 0.033 0.000 0.807 755 Q CB 2.976 31.719 28.738 0.009 0.000 1.405 755 Q HN 0.605 nan 8.270 nan 0.000 0.419 756 D N 0.000 120.417 120.400 0.029 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.010 54.000 0.017 0.000 0.868 756 D CB 0.000 40.806 40.800 0.011 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683