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 3l94_1_B DATA FIRST_RESID 217 DATA SEQUENCE SNAIAVGSER SADGKGMLLA NPHFPWNGAM RFYQMHLTIP GRLDVMGASL DATA SEQUENCE PGLPVVNIGF SRHLAWTHTV DTSSHFTLYR LALDPKDPRR YLVDGRSLPL DATA SEQUENCE EEKSVAIEVR GADGKLSRVE HKVYQSIYGP LVVWPGKLDW NRSEAYALRD DATA SEQUENCE ANLENTRVLQ QWYSINQASD VADLRRRVEA LQGIPWVNTL AADEQGNALY DATA SEQUENCE MNQSVVPYLK PELIPAcAIP QLVAEGLPAL QGQDSRcAWS RDPAAAQAGI DATA SEQUENCE TPAAQLPVLL RRDFVQNSND SAWLTNPASP LQGFSPLVSQ EKPIGPRARY DATA SEQUENCE ALSRLQGKQP LEAKTLEEMV TANHVFSADQ VLPDLLRLcR DNQGEKSLAR DATA SEQUENCE AcAALAQWDR GANLDSGSGF VYFQRFMQRF AELDGAWKEP FDAQRPLDTP DATA SEQUENCE QGIALDRPQV ATQVRQALAD AAAEVEKSGI PXXARWGDLQ VSTRGQERIA DATA SEQUENCE IPGGDGHFGV YNAIQSVRKG DHLEVVGGTS YIQLVTFPEE GPKARGLLAF DATA SEQUENCE SQSSDPRSPH YRDQTELFSR QQWQTLPFSD RQIDADPQLQ RLSIRE 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 217 S HA 0.000 nan 4.470 nan 0.000 0.327 217 S C 0.000 174.361 174.600 -0.399 0.000 1.055 217 S CA 0.000 57.874 58.200 -0.544 0.000 1.107 217 S CB 0.000 63.085 63.200 -0.192 0.000 0.593 218 N N 0.884 119.265 118.700 -0.532 0.000 2.335 218 N HA 0.841 5.580 4.740 -0.001 0.000 0.304 218 N C -0.920 174.501 175.510 -0.148 0.000 1.135 218 N CA -0.657 52.213 53.050 -0.299 0.000 0.817 218 N CB 2.076 40.157 38.487 -0.678 0.000 1.294 218 N HN 0.819 nan 8.380 nan 0.000 0.497 219 A N 1.148 123.973 122.820 0.008 0.000 2.488 219 A HA 0.730 5.050 4.320 -0.001 0.000 0.298 219 A C -1.165 176.494 177.584 0.125 0.000 1.044 219 A CA -0.573 51.493 52.037 0.048 0.000 0.693 219 A CB 0.961 19.997 19.000 0.060 0.000 1.272 219 A HN 0.595 nan 8.150 nan 0.000 0.402 220 I N 1.586 122.226 120.570 0.116 0.000 2.499 220 I HA 0.600 4.770 4.170 -0.001 0.000 0.288 220 I C 0.227 176.413 176.117 0.114 0.000 1.048 220 I CA -0.526 60.850 61.300 0.128 0.000 1.062 220 I CB 2.174 40.230 38.000 0.094 0.000 1.238 220 I HN 0.772 nan 8.210 nan 0.000 0.426 221 A N 6.381 129.292 122.820 0.151 0.000 2.318 221 A HA 0.848 5.168 4.320 -0.001 0.000 0.324 221 A C -0.784 176.900 177.584 0.166 0.000 1.170 221 A CA -0.519 51.603 52.037 0.142 0.000 0.810 221 A CB 1.290 20.378 19.000 0.146 0.000 1.198 221 A HN 0.434 nan 8.150 nan 0.000 0.484 222 V N 2.067 122.062 119.914 0.136 0.000 2.555 222 V HA 0.753 4.873 4.120 -0.001 0.000 0.302 222 V C 0.874 177.038 176.094 0.116 0.000 1.038 222 V CA 0.079 62.462 62.300 0.138 0.000 0.887 222 V CB 1.736 33.613 31.823 0.089 0.000 0.991 222 V HN 1.172 nan 8.190 nan 0.000 0.434 223 G N 1.411 110.274 108.800 0.105 0.000 2.887 223 G HA2 0.466 4.425 3.960 -0.001 0.000 0.277 223 G HA3 0.466 4.425 3.960 -0.001 0.000 0.277 223 G C 0.979 175.915 174.900 0.060 0.000 1.346 223 G CA 0.274 45.418 45.100 0.074 0.000 1.058 223 G HN 0.804 nan 8.290 nan 0.000 0.535 224 S N -1.074 114.651 115.700 0.042 0.000 2.419 224 S HA -0.121 4.349 4.470 -0.001 0.000 0.233 224 S C 1.486 176.103 174.600 0.029 0.000 1.016 224 S CA 1.728 59.948 58.200 0.033 0.000 0.974 224 S CB -0.209 63.003 63.200 0.020 0.000 0.786 224 S HN 0.669 nan 8.310 nan 0.000 0.492 225 E N 0.310 120.527 120.200 0.029 0.000 2.427 225 E HA 0.106 4.455 4.350 -0.001 0.000 0.196 225 E C 1.785 178.406 176.600 0.035 0.000 1.028 225 E CA 0.251 56.666 56.400 0.025 0.000 0.864 225 E CB 0.142 29.853 29.700 0.018 0.000 0.813 225 E HN 0.322 nan 8.360 nan 0.000 0.514 226 R N -0.267 120.263 120.500 0.049 0.000 2.435 226 R HA 0.191 4.530 4.340 -0.001 0.000 0.221 226 R C 0.737 177.055 176.300 0.031 0.000 0.885 226 R CA 0.041 56.172 56.100 0.050 0.000 1.018 226 R CB 0.472 30.829 30.300 0.095 0.000 1.259 226 R HN -0.106 nan 8.270 nan 0.000 0.597 227 S N 0.546 116.268 115.700 0.037 0.000 2.564 227 S HA 0.316 4.786 4.470 -0.001 0.000 0.278 227 S C 1.329 175.939 174.600 0.015 0.000 1.333 227 S CA 0.248 58.465 58.200 0.027 0.000 1.048 227 S CB 1.360 64.587 63.200 0.045 0.000 0.900 227 S HN 0.344 nan 8.310 nan 0.000 0.505 228 A N 3.140 125.962 122.820 0.003 0.000 1.972 228 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 228 A C 1.462 179.049 177.584 0.005 0.000 1.169 228 A CA 1.783 53.818 52.037 -0.003 0.000 0.635 228 A CB -0.483 18.508 19.000 -0.014 0.000 0.810 228 A HN 0.920 nan 8.150 nan 0.000 0.446 229 D N -2.554 117.855 120.400 0.014 0.000 2.349 229 D HA 0.277 4.917 4.640 -0.001 0.000 0.214 229 D C 1.143 177.461 176.300 0.031 0.000 1.063 229 D CA 0.725 54.738 54.000 0.022 0.000 0.847 229 D CB -0.653 40.164 40.800 0.028 0.000 0.933 229 D HN 0.699 nan 8.370 nan 0.000 0.513 230 G N 0.207 109.025 108.800 0.030 0.000 2.155 230 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.257 230 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.257 230 G C 0.280 175.206 174.900 0.042 0.000 0.983 230 G CA 0.782 45.900 45.100 0.031 0.000 0.676 230 G HN 0.517 nan 8.290 nan 0.000 0.528 231 K N -0.542 119.896 120.400 0.064 0.000 2.380 231 K HA 0.658 4.978 4.320 -0.001 0.000 0.243 231 K C 1.002 177.675 176.600 0.123 0.000 1.071 231 K CA -0.405 55.936 56.287 0.091 0.000 0.942 231 K CB 0.859 33.439 32.500 0.133 0.000 1.324 231 K HN 0.254 nan 8.250 nan 0.000 0.517 232 G N 0.347 109.253 108.800 0.177 0.000 2.537 232 G HA2 0.519 4.479 3.960 -0.001 0.000 0.273 232 G HA3 0.519 4.479 3.960 -0.001 0.000 0.273 232 G C -0.987 174.099 174.900 0.310 0.000 1.189 232 G CA -0.328 44.903 45.100 0.218 0.000 0.881 232 G HN 0.499 nan 8.290 nan 0.000 0.535 233 M N 0.793 120.514 119.600 0.203 0.000 2.365 233 M HA 0.620 5.100 4.480 -0.001 0.000 0.287 233 M C -2.337 174.010 176.300 0.077 0.000 1.154 233 M CA -0.873 54.484 55.300 0.094 0.000 0.941 233 M CB 2.241 34.861 32.600 0.033 0.000 1.704 233 M HN 0.492 nan 8.290 nan 0.000 0.479 234 L N 4.948 126.174 121.223 0.006 0.000 2.409 234 L HA 0.714 5.054 4.340 -0.001 0.000 0.272 234 L C -2.180 174.657 176.870 -0.056 0.000 0.980 234 L CA -0.522 54.321 54.840 0.004 0.000 0.826 234 L CB 2.018 44.092 42.059 0.025 0.000 1.268 234 L HN 0.809 nan 8.230 nan 0.000 0.407 235 L N 5.260 126.472 121.223 -0.019 0.000 2.296 235 L HA 0.897 5.237 4.340 -0.001 0.000 0.286 235 L C -0.583 176.242 176.870 -0.074 0.000 1.023 235 L CA -0.070 54.752 54.840 -0.031 0.000 0.812 235 L CB 1.432 43.529 42.059 0.063 0.000 1.223 235 L HN 0.750 nan 8.230 nan 0.000 0.421 236 A N 4.758 127.468 122.820 -0.183 0.000 2.291 236 A HA 0.484 4.804 4.320 -0.001 0.000 0.311 236 A C -0.364 177.037 177.584 -0.305 0.000 1.224 236 A CA -0.537 51.353 52.037 -0.245 0.000 0.821 236 A CB 0.192 18.992 19.000 -0.334 0.000 1.172 236 A HN 0.834 nan 8.150 nan 0.000 0.494 237 N N 4.242 122.789 118.700 -0.257 0.000 2.723 237 N HA 0.216 4.955 4.740 -0.001 0.000 0.290 237 N C -2.952 172.335 175.510 -0.371 0.000 1.882 237 N CA -1.407 51.481 53.050 -0.269 0.000 0.851 237 N CB 1.494 39.880 38.487 -0.167 0.000 1.234 237 N HN 0.371 nan 8.380 nan 0.000 0.491 238 P HA 0.031 nan 4.420 nan 0.000 0.268 238 P C -1.098 176.184 177.300 -0.030 0.000 1.205 238 P CA 0.569 63.546 63.100 -0.205 0.000 0.771 238 P CB 0.645 32.282 31.700 -0.106 0.000 0.858 239 H N 1.873 121.058 119.070 0.192 0.000 2.551 239 H HA 0.554 5.109 4.556 -0.001 0.000 0.321 239 H C -0.502 175.157 175.328 0.552 0.000 1.028 239 H CA -0.445 55.790 56.048 0.312 0.000 1.215 239 H CB 0.703 30.592 29.762 0.213 0.000 1.414 239 H HN 0.318 nan 8.280 nan 0.000 0.480 240 F N 2.197 122.431 119.950 0.472 0.000 2.745 240 F HA 0.354 4.881 4.527 -0.000 0.000 0.316 240 F C -2.534 173.511 175.800 0.407 0.000 1.155 240 F CA -2.759 55.475 58.000 0.389 0.000 0.937 240 F CB 1.878 41.141 39.000 0.437 0.000 1.361 240 F HN 0.306 nan 8.300 nan 0.000 0.472 241 P HA -0.038 nan 4.420 nan 0.000 0.267 241 P C -0.221 177.202 177.300 0.205 0.000 1.200 241 P CA 0.543 63.701 63.100 0.097 0.000 0.772 241 P CB 0.430 32.032 31.700 -0.164 0.000 0.855 242 W N 1.610 122.813 121.300 -0.163 0.000 3.290 242 W HA 0.149 4.809 4.660 -0.001 0.000 0.287 242 W C -0.038 176.161 176.519 -0.533 0.000 1.288 242 W CA 0.439 57.536 57.345 -0.413 0.000 1.725 242 W CB -0.684 28.740 29.460 -0.061 0.000 1.103 242 W HN 0.381 nan 8.180 nan 0.000 0.670 243 N N -1.828 116.785 118.700 -0.146 0.000 2.416 243 N HA 0.646 5.385 4.740 -0.001 0.000 0.276 243 N C 0.147 175.567 175.510 -0.151 0.000 1.261 243 N CA 0.039 53.001 53.050 -0.146 0.000 0.790 243 N CB 2.064 40.523 38.487 -0.047 0.000 1.554 243 N HN -0.041 nan 8.380 nan 0.000 0.481 244 G N 0.042 108.765 108.800 -0.129 0.000 2.545 244 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.216 244 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.216 244 G C 0.346 175.168 174.900 -0.131 0.000 1.314 244 G CA -0.076 44.955 45.100 -0.116 0.000 0.906 244 G HN 0.846 nan 8.290 nan 0.000 0.563 245 A N -0.624 122.120 122.820 -0.127 0.000 2.209 245 A HA 0.415 4.734 4.320 -0.001 0.000 0.212 245 A C 1.916 179.414 177.584 -0.142 0.000 1.158 245 A CA 2.038 54.006 52.037 -0.115 0.000 0.742 245 A CB -0.345 18.601 19.000 -0.090 0.000 0.790 245 A HN 0.702 nan 8.150 nan 0.000 0.472 246 M N -0.613 118.861 119.600 -0.210 0.000 2.685 246 M HA 0.187 4.667 4.480 -0.001 0.000 0.355 246 M C 0.430 176.580 176.300 -0.251 0.000 1.197 246 M CA -0.130 55.004 55.300 -0.276 0.000 0.947 246 M CB 0.354 32.620 32.600 -0.555 0.000 1.346 246 M HN 0.234 nan 8.290 nan 0.000 0.516 247 R N 1.129 121.514 120.500 -0.191 0.000 2.242 247 R HA 0.291 4.631 4.340 -0.001 0.000 0.334 247 R C -0.905 175.421 176.300 0.044 0.000 1.071 247 R CA -0.238 55.760 56.100 -0.170 0.000 0.922 247 R CB 0.360 30.497 30.300 -0.272 0.000 1.023 247 R HN 0.064 nan 8.270 nan 0.000 0.458 248 F N 3.645 123.780 119.950 0.308 0.000 2.589 248 F HA -0.037 4.490 4.527 -0.001 0.000 0.352 248 F C 0.145 176.129 175.800 0.306 0.000 1.168 248 F CA 0.784 58.964 58.000 0.299 0.000 1.353 248 F CB 0.362 39.536 39.000 0.291 0.000 1.116 248 F HN 0.485 nan 8.300 nan 0.000 0.608 249 Y N 2.599 123.055 120.300 0.260 0.000 2.433 249 Y HA 0.292 4.842 4.550 -0.001 0.000 0.337 249 Y C -0.896 174.982 175.900 -0.036 0.000 1.026 249 Y CA -1.117 57.041 58.100 0.096 0.000 1.037 249 Y CB 1.071 39.568 38.460 0.062 0.000 1.245 249 Y HN 0.540 nan 8.280 nan 0.000 0.443 250 Q N 6.778 126.207 119.800 -0.618 0.000 2.293 250 Q HA 0.630 4.970 4.340 -0.001 0.000 0.251 250 Q C -0.690 174.995 176.000 -0.524 0.000 0.930 250 Q CA -0.387 55.084 55.803 -0.554 0.000 0.893 250 Q CB 1.546 30.018 28.738 -0.444 0.000 1.215 250 Q HN 0.764 nan 8.270 nan 0.000 0.425 251 M N -0.263 119.195 119.600 -0.237 0.000 2.694 251 M HA 0.383 4.863 4.480 -0.001 0.000 0.276 251 M C -2.010 174.314 176.300 0.041 0.000 1.167 251 M CA -0.909 54.349 55.300 -0.069 0.000 0.849 251 M CB 2.361 34.998 32.600 0.061 0.000 1.705 251 M HN 0.732 nan 8.290 nan 0.000 0.504 252 H N 2.551 121.601 119.070 -0.034 0.000 2.547 252 H HA 0.745 5.301 4.556 -0.001 0.000 0.342 252 H C -2.105 173.231 175.328 0.012 0.000 1.048 252 H CA -0.842 55.200 56.048 -0.009 0.000 1.204 252 H CB 1.547 31.303 29.762 -0.010 0.000 1.493 252 H HN 0.762 nan 8.280 nan 0.000 0.511 253 L N 4.936 126.235 121.223 0.127 0.000 2.341 253 L HA 0.434 4.774 4.340 -0.001 0.000 0.278 253 L C -0.593 176.270 176.870 -0.011 0.000 1.005 253 L CA -0.657 54.198 54.840 0.025 0.000 0.818 253 L CB 2.123 44.261 42.059 0.131 0.000 1.259 253 L HN 0.667 nan 8.230 nan 0.000 0.418 254 T N 3.764 118.261 114.554 -0.095 0.000 2.991 254 T HA 0.558 4.907 4.350 -0.001 0.000 0.303 254 T C -0.419 174.267 174.700 -0.025 0.000 1.015 254 T CA -0.293 61.763 62.100 -0.073 0.000 1.007 254 T CB 1.750 70.500 68.868 -0.196 0.000 1.034 254 T HN 0.311 nan 8.240 nan 0.000 0.446 255 I N 4.362 124.944 120.570 0.019 0.000 2.405 255 I HA 0.304 4.474 4.170 -0.001 0.000 0.280 255 I C -2.452 173.674 176.117 0.015 0.000 1.027 255 I CA -2.486 58.828 61.300 0.024 0.000 1.161 255 I CB 1.780 39.816 38.000 0.060 0.000 1.300 255 I HN 0.269 nan 8.210 nan 0.000 0.463 256 P HA 0.091 nan 4.420 nan 0.000 0.265 256 P C 0.939 178.246 177.300 0.011 0.000 1.193 256 P CA 0.776 63.875 63.100 -0.002 0.000 0.765 256 P CB 0.757 32.451 31.700 -0.011 0.000 0.823 257 G N 3.358 112.168 108.800 0.017 0.000 2.258 257 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.233 257 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.233 257 G C 0.777 175.691 174.900 0.024 0.000 1.006 257 G CA 0.409 45.521 45.100 0.021 0.000 0.620 257 G HN 0.667 nan 8.290 nan 0.000 0.511 258 R N -1.242 119.273 120.500 0.025 0.000 2.551 258 R HA 0.662 5.002 4.340 -0.001 0.000 0.316 258 R C 0.021 176.329 176.300 0.013 0.000 0.934 258 R CA 0.203 56.313 56.100 0.017 0.000 1.117 258 R CB 0.431 30.738 30.300 0.012 0.000 1.626 258 R HN 0.866 nan 8.270 nan 0.000 0.513 259 L N 1.228 122.473 121.223 0.035 0.000 2.526 259 L HA 0.580 4.920 4.340 -0.001 0.000 0.263 259 L C -2.356 174.568 176.870 0.090 0.000 0.943 259 L CA -0.255 54.615 54.840 0.050 0.000 0.859 259 L CB 2.642 44.738 42.059 0.063 0.000 1.313 259 L HN 0.142 nan 8.230 nan 0.000 0.406 260 D N 3.562 124.052 120.400 0.150 0.000 2.452 260 D HA 0.550 5.190 4.640 -0.001 0.000 0.226 260 D C -2.035 174.501 176.300 0.394 0.000 1.366 260 D CA 0.077 54.217 54.000 0.233 0.000 0.986 260 D CB 1.905 42.812 40.800 0.179 0.000 1.420 260 D HN 0.452 nan 8.370 nan 0.000 0.583 261 V N 4.577 124.738 119.914 0.412 0.000 2.969 261 V HA 0.766 4.885 4.120 -0.001 0.000 0.304 261 V C -1.645 174.588 176.094 0.231 0.000 1.192 261 V CA -0.596 61.878 62.300 0.290 0.000 0.962 261 V CB 2.035 34.025 31.823 0.278 0.000 1.045 261 V HN 0.649 nan 8.190 nan 0.000 0.428 262 M N 5.248 124.728 119.600 -0.200 0.000 2.433 262 M HA 0.875 5.355 4.480 -0.001 0.000 0.290 262 M C -0.193 175.863 176.300 -0.406 0.000 1.173 262 M CA 0.588 55.703 55.300 -0.308 0.000 0.905 262 M CB 2.139 34.382 32.600 -0.594 0.000 1.692 262 M HN 1.113 nan 8.290 nan 0.000 0.462 263 G N 1.975 110.640 108.800 -0.226 0.000 2.593 263 G HA2 0.644 4.604 3.960 -0.001 0.000 0.103 263 G HA3 0.644 4.604 3.960 -0.001 0.000 0.103 263 G C -2.102 172.446 174.900 -0.586 0.000 1.103 263 G CA 0.028 44.952 45.100 -0.293 0.000 1.109 263 G HN 1.170 nan 8.290 nan 0.000 0.516 264 A N -1.142 121.284 122.820 -0.657 0.000 2.556 264 A HA 0.942 5.262 4.320 -0.001 0.000 0.294 264 A C -0.564 177.031 177.584 0.018 0.000 1.091 264 A CA 0.274 52.005 52.037 -0.509 0.000 0.704 264 A CB 1.601 19.949 19.000 -1.087 0.000 1.300 264 A HN 1.573 nan 8.150 nan 0.000 0.406 265 S N -0.291 115.546 115.700 0.228 0.000 2.618 265 S HA 0.682 5.152 4.470 -0.001 0.000 0.277 265 S C -0.815 173.868 174.600 0.139 0.000 1.138 265 S CA -0.610 57.710 58.200 0.199 0.000 0.844 265 S CB 1.232 64.497 63.200 0.109 0.000 1.127 265 S HN 0.642 nan 8.310 nan 0.000 0.474 266 L N 1.848 123.034 121.223 -0.061 0.000 2.399 266 L HA 0.427 4.766 4.340 -0.001 0.000 0.266 266 L C -2.376 174.452 176.870 -0.070 0.000 1.114 266 L CA -2.244 52.511 54.840 -0.140 0.000 0.804 266 L CB 0.214 42.163 42.059 -0.183 0.000 1.146 266 L HN 0.328 nan 8.230 nan 0.000 0.451 267 P HA 0.023 nan 4.420 nan 0.000 0.262 267 P C 0.658 177.910 177.300 -0.080 0.000 1.182 267 P CA 0.875 63.922 63.100 -0.089 0.000 0.761 267 P CB 0.588 32.232 31.700 -0.094 0.000 0.795 268 G N 2.198 110.948 108.800 -0.084 0.000 2.195 268 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.246 268 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.246 268 G C -0.158 174.711 174.900 -0.051 0.000 0.984 268 G CA -0.427 44.633 45.100 -0.067 0.000 0.633 268 G HN 0.465 nan 8.290 nan 0.000 0.525 269 L N 1.998 123.192 121.223 -0.048 0.000 2.257 269 L HA 0.413 4.753 4.340 -0.001 0.000 0.290 269 L C -1.571 175.292 176.870 -0.011 0.000 1.044 269 L CA -1.838 52.980 54.840 -0.036 0.000 0.810 269 L CB 1.483 43.504 42.059 -0.063 0.000 1.193 269 L HN -0.037 nan 8.230 nan 0.000 0.425 270 P HA 0.124 nan 4.420 nan 0.000 0.220 270 P C -0.656 176.655 177.300 0.020 0.000 1.793 270 P CA 0.045 63.140 63.100 -0.009 0.000 0.917 270 P CB 0.139 31.808 31.700 -0.051 0.000 1.755 271 V N -3.674 116.288 119.914 0.080 0.000 3.188 271 V HA 0.505 4.624 4.120 -0.001 0.000 0.305 271 V C -0.523 175.689 176.094 0.197 0.000 1.232 271 V CA -1.206 61.207 62.300 0.188 0.000 1.043 271 V CB 2.024 34.008 31.823 0.268 0.000 1.068 271 V HN -0.245 nan 8.190 nan 0.000 0.439 272 V N 2.676 122.771 119.914 0.302 0.000 2.461 272 V HA 0.316 4.435 4.120 -0.001 0.000 0.275 272 V C 0.926 177.284 176.094 0.440 0.000 1.047 272 V CA 0.265 62.748 62.300 0.304 0.000 0.955 272 V CB 0.441 32.457 31.823 0.323 0.000 0.988 272 V HN 1.031 nan 8.190 nan 0.000 0.471 273 N N 3.733 122.568 118.700 0.225 0.000 2.305 273 N HA 0.275 5.015 4.740 -0.001 0.000 0.179 273 N C 0.043 175.893 175.510 0.567 0.000 1.019 273 N CA 0.534 53.667 53.050 0.138 0.000 0.869 273 N CB 0.369 38.774 38.487 -0.135 0.000 1.000 273 N HN 0.527 nan 8.380 nan 0.000 0.431 274 I N 0.190 120.851 120.570 0.151 0.000 2.498 274 I HA 0.530 4.700 4.170 -0.001 0.000 0.290 274 I C 0.048 175.793 176.117 -0.621 0.000 1.032 274 I CA -0.662 60.446 61.300 -0.321 0.000 1.073 274 I CB 2.047 39.948 38.000 -0.164 0.000 1.251 274 I HN 0.098 nan 8.210 nan 0.000 0.426 275 G N 5.172 113.120 108.800 -1.420 0.000 2.500 275 G HA2 0.656 4.616 3.960 -0.001 0.000 0.299 275 G HA3 0.656 4.616 3.960 -0.001 0.000 0.299 275 G C -1.736 172.803 174.900 -0.602 0.000 1.242 275 G CA -0.492 44.088 45.100 -0.867 0.000 0.859 275 G HN 0.573 nan 8.290 nan 0.000 0.481 276 F N -0.903 118.854 119.950 -0.321 0.000 2.713 276 F HA 0.874 5.401 4.527 -0.001 0.000 0.311 276 F C -0.144 175.618 175.800 -0.064 0.000 1.141 276 F CA -0.423 57.521 58.000 -0.094 0.000 0.939 276 F CB 1.536 40.398 39.000 -0.230 0.000 1.325 276 F HN 1.056 nan 8.300 nan 0.000 0.453 277 S N 0.294 116.044 115.700 0.084 0.000 2.903 277 S HA 0.464 4.934 4.470 -0.001 0.000 0.314 277 S C 0.566 175.177 174.600 0.018 0.000 1.177 277 S CA -0.596 57.571 58.200 -0.056 0.000 0.859 277 S CB 1.659 64.960 63.200 0.168 0.000 1.265 277 S HN 1.045 nan 8.310 nan 0.000 0.584 278 R N 0.173 120.719 120.500 0.078 0.000 2.103 278 R HA -0.129 4.211 4.340 -0.001 0.000 0.242 278 R C 0.981 177.137 176.300 -0.239 0.000 1.142 278 R CA 2.156 58.216 56.100 -0.067 0.000 0.960 278 R CB -0.358 29.823 30.300 -0.200 0.000 0.858 278 R HN 0.765 nan 8.270 nan 0.000 0.439 279 H N -2.126 117.012 119.070 0.113 0.000 2.923 279 H HA 0.216 4.772 4.556 -0.001 0.000 0.268 279 H C -0.711 174.363 175.328 -0.423 0.000 1.148 279 H CA -0.235 55.700 56.048 -0.187 0.000 1.146 279 H CB 0.911 30.583 29.762 -0.150 0.000 1.607 279 H HN 0.076 nan 8.280 nan 0.000 0.566 280 L N 1.041 122.329 121.223 0.108 0.000 2.445 280 L HA 0.730 5.069 4.340 -0.001 0.000 0.262 280 L C -1.493 175.698 176.870 0.535 0.000 0.974 280 L CA -0.803 54.166 54.840 0.215 0.000 0.822 280 L CB 1.992 44.166 42.059 0.192 0.000 1.339 280 L HN 0.034 nan 8.230 nan 0.000 0.409 281 A N 3.249 126.393 122.820 0.539 0.000 2.449 281 A HA 0.878 5.197 4.320 -0.001 0.000 0.302 281 A C -1.922 175.887 177.584 0.375 0.000 1.048 281 A CA -0.322 51.963 52.037 0.412 0.000 0.708 281 A CB 1.012 20.147 19.000 0.225 0.000 1.274 281 A HN 1.014 nan 8.150 nan 0.000 0.410 282 W N 0.758 122.106 121.300 0.079 0.000 3.031 282 W HA 0.833 5.492 4.660 -0.001 0.000 0.337 282 W C -0.685 175.786 176.519 -0.078 0.000 1.187 282 W CA -0.385 56.950 57.345 -0.017 0.000 1.166 282 W CB 1.182 30.608 29.460 -0.056 0.000 1.437 282 W HN 0.851 nan 8.180 nan 0.000 0.551 283 T N 0.106 114.548 114.554 -0.186 0.000 2.681 283 T HA 0.519 4.869 4.350 -0.001 0.000 0.296 283 T C -1.739 172.767 174.700 -0.323 0.000 1.157 283 T CA -0.485 61.420 62.100 -0.324 0.000 1.025 283 T CB 1.158 69.904 68.868 -0.204 0.000 1.441 283 T HN 0.659 nan 8.240 nan 0.000 0.504 284 H N 0.329 119.481 119.070 0.137 0.000 2.928 284 H HA 0.638 5.194 4.556 -0.001 0.000 0.371 284 H C -0.598 174.783 175.328 0.089 0.000 1.186 284 H CA -0.427 55.719 56.048 0.164 0.000 1.134 284 H CB 1.931 31.833 29.762 0.233 0.000 1.824 284 H HN 0.838 nan 8.280 nan 0.000 0.554 285 T N -1.775 112.933 114.554 0.256 0.000 2.909 285 T HA 0.396 4.746 4.350 -0.001 0.000 0.299 285 T C -0.302 174.544 174.700 0.243 0.000 1.073 285 T CA -0.831 61.378 62.100 0.182 0.000 0.999 285 T CB 1.307 70.266 68.868 0.152 0.000 1.098 285 T HN 0.207 nan 8.240 nan 0.000 0.477 286 V N 3.541 123.605 119.914 0.249 0.000 2.585 286 V HA 0.245 4.365 4.120 -0.001 0.000 0.296 286 V C 0.648 176.918 176.094 0.292 0.000 1.035 286 V CA 0.013 62.513 62.300 0.333 0.000 1.084 286 V CB -0.085 31.933 31.823 0.326 0.000 0.953 286 V HN 1.104 nan 8.190 nan 0.000 0.483 287 D N 2.728 123.328 120.400 0.334 0.000 2.432 287 D HA 0.265 4.904 4.640 -0.001 0.000 0.258 287 D C 0.921 177.378 176.300 0.261 0.000 1.146 287 D CA -0.018 54.158 54.000 0.294 0.000 1.015 287 D CB 0.863 41.841 40.800 0.297 0.000 1.107 287 D HN 0.551 nan 8.370 nan 0.000 0.529 288 T N -3.394 111.274 114.554 0.190 0.000 3.105 288 T HA 0.219 4.568 4.350 -0.001 0.000 0.253 288 T C 0.424 175.157 174.700 0.055 0.000 1.047 288 T CA -0.562 61.616 62.100 0.131 0.000 0.944 288 T CB -0.506 68.427 68.868 0.108 0.000 1.016 288 T HN 0.228 nan 8.240 nan 0.000 0.544 289 S N 2.155 117.872 115.700 0.029 0.000 2.593 289 S HA 0.411 4.881 4.470 -0.001 0.000 0.269 289 S C 0.365 174.720 174.600 -0.408 0.000 1.334 289 S CA -0.582 57.514 58.200 -0.172 0.000 1.015 289 S CB 0.850 63.944 63.200 -0.176 0.000 0.912 289 S HN 0.455 nan 8.310 nan 0.000 0.541 290 S N 1.534 116.967 115.700 -0.446 0.000 2.537 290 S HA 0.237 4.707 4.470 -0.001 0.000 0.275 290 S C 0.335 174.560 174.600 -0.624 0.000 1.272 290 S CA -0.617 57.287 58.200 -0.494 0.000 1.050 290 S CB 0.167 63.084 63.200 -0.472 0.000 0.961 290 S HN 0.682 nan 8.310 nan 0.000 0.496 291 H N 2.020 121.120 119.070 0.050 0.000 2.674 291 H HA 0.283 4.839 4.556 -0.001 0.000 0.274 291 H C -0.396 175.120 175.328 0.312 0.000 1.121 291 H CA 0.031 56.190 56.048 0.185 0.000 1.132 291 H CB 0.122 30.074 29.762 0.317 0.000 1.606 291 H HN 0.647 nan 8.280 nan 0.000 0.558 292 F N -0.583 119.449 119.950 0.137 0.000 2.711 292 F HA 0.575 5.102 4.527 -0.000 0.000 0.313 292 F C -0.900 175.004 175.800 0.173 0.000 1.141 292 F CA -1.254 56.888 58.000 0.237 0.000 0.941 292 F CB 1.479 40.608 39.000 0.215 0.000 1.349 292 F HN -0.165 nan 8.300 nan 0.000 0.464 293 T N 0.227 115.012 114.554 0.384 0.000 2.886 293 T HA 0.683 5.033 4.350 -0.001 0.000 0.292 293 T C -0.891 173.937 174.700 0.213 0.000 1.012 293 T CA -0.798 61.344 62.100 0.071 0.000 0.982 293 T CB 1.527 70.400 68.868 0.007 0.000 1.018 293 T HN 0.876 nan 8.240 nan 0.000 0.451 294 L N 2.380 123.659 121.223 0.093 0.000 2.417 294 L HA 0.408 4.748 4.340 -0.001 0.000 0.268 294 L C -0.720 176.061 176.870 -0.148 0.000 1.158 294 L CA -0.778 54.123 54.840 0.102 0.000 0.819 294 L CB 0.344 42.463 42.059 0.099 0.000 1.112 294 L HN 0.684 nan 8.230 nan 0.000 0.458 295 Y N 1.532 121.798 120.300 -0.058 0.000 2.331 295 Y HA 0.358 4.908 4.550 -0.001 0.000 0.334 295 Y C 0.072 175.765 175.900 -0.345 0.000 0.960 295 Y CA -0.651 57.273 58.100 -0.293 0.000 1.130 295 Y CB 1.615 39.636 38.460 -0.731 0.000 1.164 295 Y HN 0.459 nan 8.280 nan 0.000 0.458 296 R N 4.799 125.118 120.500 -0.301 0.000 2.267 296 R HA 0.429 4.769 4.340 -0.001 0.000 0.319 296 R C -1.367 174.692 176.300 -0.401 0.000 1.067 296 R CA -0.203 55.447 56.100 -0.750 0.000 0.936 296 R CB 0.260 30.204 30.300 -0.593 0.000 1.006 296 R HN 0.715 nan 8.270 nan 0.000 0.452 297 L N 3.703 124.673 121.223 -0.421 0.000 2.334 297 L HA 0.470 4.810 4.340 -0.001 0.000 0.277 297 L C 0.178 176.967 176.870 -0.136 0.000 1.075 297 L CA -0.895 53.824 54.840 -0.202 0.000 0.804 297 L CB 1.736 43.640 42.059 -0.258 0.000 1.174 297 L HN 0.691 nan 8.230 nan 0.000 0.438 298 A N 4.913 127.722 122.820 -0.018 0.000 2.279 298 A HA 0.550 4.869 4.320 -0.001 0.000 0.306 298 A C -0.165 177.453 177.584 0.057 0.000 1.300 298 A CA -0.505 51.536 52.037 0.006 0.000 0.925 298 A CB 0.057 19.068 19.000 0.018 0.000 1.152 298 A HN 0.650 nan 8.150 nan 0.000 0.544 299 L N 1.831 123.085 121.223 0.051 0.000 2.439 299 L HA 0.121 4.461 4.340 -0.001 0.000 0.269 299 L C 0.646 177.560 176.870 0.074 0.000 1.179 299 L CA -0.669 54.226 54.840 0.093 0.000 0.828 299 L CB 0.482 42.609 42.059 0.114 0.000 1.106 299 L HN 0.670 nan 8.230 nan 0.000 0.467 300 D N 4.688 125.133 120.400 0.076 0.000 2.520 300 D HA -0.024 4.616 4.640 -0.001 0.000 0.243 300 D C -1.442 174.885 176.300 0.045 0.000 1.160 300 D CA -1.283 52.743 54.000 0.043 0.000 0.877 300 D CB 1.251 42.072 40.800 0.034 0.000 1.150 300 D HN 0.265 nan 8.370 nan 0.000 0.494 301 P HA -0.102 nan 4.420 nan 0.000 0.225 301 P C 0.470 177.786 177.300 0.026 0.000 1.148 301 P CA 0.995 64.112 63.100 0.030 0.000 0.779 301 P CB 0.301 32.014 31.700 0.021 0.000 0.780 302 K N -1.154 119.260 120.400 0.024 0.000 2.367 302 K HA 0.091 4.410 4.320 -0.001 0.000 0.194 302 K C 0.196 176.811 176.600 0.025 0.000 1.027 302 K CA 0.170 56.468 56.287 0.019 0.000 1.075 302 K CB 0.382 32.889 32.500 0.012 0.000 0.845 302 K HN -0.002 nan 8.250 nan 0.000 0.529 303 D N -0.053 120.370 120.400 0.039 0.000 2.419 303 D HA 0.055 4.695 4.640 -0.001 0.000 0.219 303 D C -2.473 173.880 176.300 0.088 0.000 1.349 303 D CA -1.505 52.525 54.000 0.050 0.000 0.964 303 D CB 1.654 42.481 40.800 0.045 0.000 1.463 303 D HN -0.200 nan 8.370 nan 0.000 0.573 304 P HA 0.049 nan 4.420 nan 0.000 0.242 304 P C 0.657 178.145 177.300 0.312 0.000 1.197 304 P CA 0.165 63.377 63.100 0.187 0.000 0.765 304 P CB 0.292 32.056 31.700 0.108 0.000 0.936 305 R N -0.441 120.186 120.500 0.212 0.000 2.427 305 R HA 0.232 4.572 4.340 -0.001 0.000 0.262 305 R C 0.689 177.137 176.300 0.246 0.000 0.943 305 R CA -0.065 56.194 56.100 0.265 0.000 1.081 305 R CB 0.397 30.809 30.300 0.186 0.000 1.166 305 R HN 0.185 nan 8.270 nan 0.000 0.534 306 R N 0.270 120.892 120.500 0.204 0.000 2.807 306 R HA 0.355 4.695 4.340 -0.001 0.000 0.276 306 R C -1.300 175.121 176.300 0.202 0.000 0.979 306 R CA -0.850 55.346 56.100 0.160 0.000 0.928 306 R CB 1.834 32.164 30.300 0.050 0.000 1.191 306 R HN -0.031 nan 8.270 nan 0.000 0.471 307 Y N -1.035 119.264 120.300 -0.003 0.000 2.581 307 Y HA 0.626 5.175 4.550 -0.001 0.000 0.345 307 Y C -1.300 174.588 175.900 -0.019 0.000 1.036 307 Y CA -1.465 56.623 58.100 -0.020 0.000 1.042 307 Y CB 1.328 39.761 38.460 -0.045 0.000 1.289 307 Y HN 0.272 nan 8.280 nan 0.000 0.471 308 L N 3.530 124.779 121.223 0.043 0.000 2.295 308 L HA 0.704 5.043 4.340 -0.001 0.000 0.285 308 L C -0.936 175.943 176.870 0.014 0.000 1.035 308 L CA -1.180 53.639 54.840 -0.034 0.000 0.806 308 L CB 1.605 43.666 42.059 0.002 0.000 1.214 308 L HN 0.557 nan 8.230 nan 0.000 0.426 309 V N 1.986 121.868 119.914 -0.052 0.000 2.483 309 V HA 0.257 4.377 4.120 -0.001 0.000 0.297 309 V C -0.564 175.519 176.094 -0.018 0.000 1.027 309 V CA -0.621 61.681 62.300 0.004 0.000 0.855 309 V CB 1.522 33.335 31.823 -0.017 0.000 0.995 309 V HN 0.826 nan 8.190 nan 0.000 0.424 310 D N 4.099 124.503 120.400 0.007 0.000 2.708 310 D HA -0.194 4.445 4.640 -0.001 0.000 0.236 310 D C 1.364 177.656 176.300 -0.014 0.000 1.146 310 D CA 1.816 55.815 54.000 -0.002 0.000 0.662 310 D CB -1.186 39.610 40.800 -0.007 0.000 1.059 310 D HN 1.468 nan 8.370 nan 0.000 0.428 311 G N -0.348 108.444 108.800 -0.013 0.000 2.184 311 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.264 311 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.264 311 G C 0.359 175.238 174.900 -0.034 0.000 0.975 311 G CA 0.544 45.634 45.100 -0.018 0.000 0.642 311 G HN 0.693 nan 8.290 nan 0.000 0.536 312 R N 0.630 121.098 120.500 -0.054 0.000 2.346 312 R HA 0.572 4.912 4.340 -0.001 0.000 0.311 312 R C 0.039 176.266 176.300 -0.122 0.000 0.983 312 R CA 0.130 56.184 56.100 -0.077 0.000 0.880 312 R CB 0.971 31.223 30.300 -0.081 0.000 1.100 312 R HN 0.173 nan 8.270 nan 0.000 0.453 313 S N 5.402 121.033 115.700 -0.114 0.000 2.448 313 S HA 0.306 4.775 4.470 -0.001 0.000 0.279 313 S C -0.254 174.219 174.600 -0.212 0.000 1.195 313 S CA -0.586 57.526 58.200 -0.146 0.000 1.051 313 S CB 0.115 63.267 63.200 -0.081 0.000 0.948 313 S HN 0.477 nan 8.310 nan 0.000 0.493 314 L N 7.225 128.213 121.223 -0.391 0.000 2.334 314 L HA 0.599 4.939 4.340 -0.001 0.000 0.276 314 L C -2.128 174.540 176.870 -0.337 0.000 1.014 314 L CA -2.522 52.049 54.840 -0.447 0.000 0.815 314 L CB 2.045 43.650 42.059 -0.756 0.000 1.268 314 L HN 0.476 nan 8.230 nan 0.000 0.428 315 P HA 0.229 nan 4.420 nan 0.000 0.284 315 P C -0.694 176.708 177.300 0.170 0.000 1.253 315 P CA -0.441 62.678 63.100 0.032 0.000 0.800 315 P CB 1.095 32.815 31.700 0.033 0.000 0.961 316 L N 1.928 123.327 121.223 0.292 0.000 2.467 316 L HA 0.147 4.487 4.340 -0.001 0.000 0.270 316 L C 1.309 178.312 176.870 0.221 0.000 1.205 316 L CA 0.151 55.182 54.840 0.319 0.000 0.828 316 L CB -0.101 42.171 42.059 0.356 0.000 1.101 316 L HN 0.365 nan 8.230 nan 0.000 0.479 317 E N 1.075 121.370 120.200 0.158 0.000 2.283 317 E HA 0.327 4.677 4.350 -0.001 0.000 0.267 317 E C -1.034 175.592 176.600 0.044 0.000 1.045 317 E CA -0.585 55.864 56.400 0.082 0.000 0.884 317 E CB 1.290 31.013 29.700 0.038 0.000 1.106 317 E HN 0.471 nan 8.360 nan 0.000 0.408 318 E N 1.351 121.526 120.200 -0.042 0.000 2.199 318 E HA 0.285 4.635 4.350 -0.001 0.000 0.265 318 E C -1.130 175.402 176.600 -0.114 0.000 0.882 318 E CA -0.793 55.498 56.400 -0.182 0.000 0.759 318 E CB 1.657 31.205 29.700 -0.254 0.000 1.148 318 E HN -0.004 nan 8.360 nan 0.000 0.412 319 K N 1.534 121.868 120.400 -0.109 0.000 2.450 319 K HA 0.365 4.685 4.320 -0.001 0.000 0.257 319 K C -1.313 175.255 176.600 -0.052 0.000 0.953 319 K CA -0.433 55.821 56.287 -0.056 0.000 0.844 319 K CB 1.466 33.954 32.500 -0.021 0.000 1.103 319 K HN 0.321 nan 8.250 nan 0.000 0.429 320 S N 2.488 118.161 115.700 -0.044 0.000 2.525 320 S HA 0.527 4.997 4.470 -0.001 0.000 0.278 320 S C -0.567 174.039 174.600 0.010 0.000 1.234 320 S CA -0.702 57.484 58.200 -0.023 0.000 1.058 320 S CB 0.901 64.080 63.200 -0.035 0.000 0.983 320 S HN 0.498 nan 8.310 nan 0.000 0.495 321 V N -0.045 119.895 119.914 0.043 0.000 2.919 321 V HA 1.032 5.151 4.120 -0.001 0.000 0.316 321 V C -0.327 175.793 176.094 0.044 0.000 1.077 321 V CA -1.222 61.102 62.300 0.039 0.000 0.977 321 V CB 1.404 33.252 31.823 0.042 0.000 1.039 321 V HN 0.922 nan 8.190 nan 0.000 0.441 322 A N 3.963 126.799 122.820 0.027 0.000 2.356 322 A HA 0.893 5.212 4.320 -0.001 0.000 0.310 322 A C -0.955 176.639 177.584 0.017 0.000 1.075 322 A CA -0.610 51.442 52.037 0.025 0.000 0.746 322 A CB 1.137 20.147 19.000 0.016 0.000 1.221 322 A HN 0.743 nan 8.150 nan 0.000 0.443 323 I N 1.708 122.288 120.570 0.018 0.000 2.569 323 I HA 0.390 4.560 4.170 -0.001 0.000 0.296 323 I C -0.267 175.853 176.117 0.006 0.000 1.028 323 I CA -0.660 60.645 61.300 0.007 0.000 1.082 323 I CB 1.808 39.809 38.000 0.002 0.000 1.264 323 I HN 0.605 nan 8.210 nan 0.000 0.429 324 E N 4.567 124.768 120.200 0.001 0.000 2.227 324 E HA 0.445 4.795 4.350 -0.001 0.000 0.282 324 E C -0.873 175.726 176.600 -0.001 0.000 1.015 324 E CA -0.501 55.900 56.400 0.001 0.000 0.823 324 E CB 2.453 32.152 29.700 -0.001 0.000 1.081 324 E HN 0.210 nan 8.360 nan 0.000 0.396 325 V N 3.581 123.495 119.914 0.000 0.000 2.444 325 V HA 0.289 4.408 4.120 -0.001 0.000 0.294 325 V C 0.347 176.440 176.094 -0.002 0.000 1.022 325 V CA -0.825 61.474 62.300 -0.001 0.000 0.850 325 V CB 1.784 33.608 31.823 0.002 0.000 0.992 325 V HN 0.501 nan 8.190 nan 0.000 0.426 326 R N 2.911 123.409 120.500 -0.004 0.000 2.316 326 R HA 0.499 4.839 4.340 -0.001 0.000 0.314 326 R C 0.551 176.849 176.300 -0.003 0.000 1.069 326 R CA 0.167 56.265 56.100 -0.004 0.000 0.959 326 R CB 0.693 30.990 30.300 -0.005 0.000 0.987 326 R HN 0.936 nan 8.270 nan 0.000 0.446 327 G N 1.619 110.418 108.800 -0.002 0.000 2.537 327 G HA2 0.356 4.315 3.960 -0.001 0.000 0.297 327 G HA3 0.356 4.315 3.960 -0.001 0.000 0.297 327 G C 0.695 175.594 174.900 -0.002 0.000 1.310 327 G CA -0.040 45.059 45.100 -0.002 0.000 1.027 327 G HN 0.748 nan 8.290 nan 0.000 0.505 328 A N -0.085 122.733 122.820 -0.002 0.000 1.948 328 A HA -0.116 4.203 4.320 -0.001 0.000 0.220 328 A C 1.878 179.460 177.584 -0.003 0.000 1.177 328 A CA 2.416 54.452 52.037 -0.002 0.000 0.636 328 A CB -0.546 18.453 19.000 -0.002 0.000 0.815 328 A HN 0.651 nan 8.150 nan 0.000 0.449 329 D N -2.228 118.171 120.400 -0.002 0.000 2.363 329 D HA 0.262 4.902 4.640 -0.001 0.000 0.226 329 D C 1.222 177.520 176.300 -0.003 0.000 1.020 329 D CA 1.002 55.000 54.000 -0.002 0.000 0.892 329 D CB -0.684 40.114 40.800 -0.002 0.000 0.900 329 D HN 0.839 nan 8.370 nan 0.000 0.531 330 G N -0.188 108.610 108.800 -0.003 0.000 2.179 330 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.260 330 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.260 330 G C 0.207 175.105 174.900 -0.003 0.000 0.977 330 G CA 0.389 45.487 45.100 -0.004 0.000 0.641 330 G HN 0.505 nan 8.290 nan 0.000 0.533 331 K N -0.253 120.146 120.400 -0.003 0.000 2.087 331 K HA 0.713 5.033 4.320 -0.001 0.000 0.255 331 K C 0.475 177.074 176.600 -0.002 0.000 0.988 331 K CA -0.774 55.512 56.287 -0.002 0.000 0.915 331 K CB 1.246 33.745 32.500 -0.002 0.000 1.043 331 K HN 0.141 nan 8.250 nan 0.000 0.457 332 L N 1.440 122.662 121.223 -0.002 0.000 2.312 332 L HA 0.267 4.607 4.340 -0.001 0.000 0.281 332 L C -0.203 176.667 176.870 0.000 0.000 1.070 332 L CA -0.342 54.497 54.840 -0.001 0.000 0.805 332 L CB 1.541 43.599 42.059 -0.002 0.000 1.174 332 L HN 0.592 nan 8.230 nan 0.000 0.434 333 S N 2.229 117.930 115.700 0.002 0.000 2.568 333 S HA 0.512 4.981 4.470 -0.001 0.000 0.302 333 S C -0.505 174.099 174.600 0.005 0.000 1.082 333 S CA -0.761 57.441 58.200 0.004 0.000 1.009 333 S CB 2.121 65.324 63.200 0.005 0.000 1.069 333 S HN 0.515 nan 8.310 nan 0.000 0.500 334 R N 1.835 122.339 120.500 0.007 0.000 2.229 334 R HA 0.557 4.896 4.340 -0.001 0.000 0.328 334 R C -1.585 174.724 176.300 0.015 0.000 1.009 334 R CA -0.283 55.822 56.100 0.009 0.000 0.864 334 R CB 0.462 30.767 30.300 0.007 0.000 1.085 334 R HN 0.449 nan 8.270 nan 0.000 0.453 335 V N 4.830 124.756 119.914 0.021 0.000 2.417 335 V HA 0.270 4.389 4.120 -0.001 0.000 0.291 335 V C -0.334 175.789 176.094 0.047 0.000 1.024 335 V CA -0.634 61.687 62.300 0.034 0.000 0.861 335 V CB 1.679 33.525 31.823 0.038 0.000 0.985 335 V HN 0.830 nan 8.190 nan 0.000 0.436 336 E N 2.907 123.137 120.200 0.050 0.000 2.204 336 E HA 0.579 4.928 4.350 -0.001 0.000 0.276 336 E C -1.228 175.429 176.600 0.095 0.000 0.974 336 E CA -0.682 55.751 56.400 0.055 0.000 0.815 336 E CB 2.194 31.907 29.700 0.021 0.000 1.119 336 E HN 0.752 nan 8.360 nan 0.000 0.393 337 H N 1.131 120.199 119.070 -0.003 0.000 2.856 337 H HA 0.267 4.823 4.556 -0.001 0.000 0.355 337 H C -1.330 173.988 175.328 -0.015 0.000 1.079 337 H CA -0.774 55.276 56.048 0.004 0.000 1.240 337 H CB 1.243 31.014 29.762 0.016 0.000 1.701 337 H HN 0.224 nan 8.280 nan 0.000 0.527 338 K N 4.337 124.548 120.400 -0.316 0.000 2.227 338 K HA 0.419 4.739 4.320 -0.001 0.000 0.280 338 K C -1.193 175.314 176.600 -0.155 0.000 1.041 338 K CA -0.695 55.444 56.287 -0.246 0.000 0.905 338 K CB 0.838 33.132 32.500 -0.344 0.000 1.068 338 K HN 0.354 nan 8.250 nan 0.000 0.470 339 V N 5.847 125.728 119.914 -0.054 0.000 2.347 339 V HA 0.216 4.335 4.120 -0.001 0.000 0.280 339 V C -0.810 175.267 176.094 -0.029 0.000 1.021 339 V CA -0.829 61.513 62.300 0.070 0.000 0.847 339 V CB 0.428 32.317 31.823 0.109 0.000 0.990 339 V HN 0.639 nan 8.190 nan 0.000 0.444 340 Y N 3.574 123.953 120.300 0.132 0.000 2.319 340 Y HA 0.458 5.008 4.550 -0.001 0.000 0.328 340 Y C 0.707 176.621 175.900 0.022 0.000 1.133 340 Y CA 0.125 58.293 58.100 0.113 0.000 1.265 340 Y CB 0.924 39.526 38.460 0.236 0.000 1.218 340 Y HN 0.573 nan 8.280 nan 0.000 0.508 341 Q N 1.574 121.454 119.800 0.133 0.000 2.375 341 Q HA 0.535 4.875 4.340 -0.001 0.000 0.271 341 Q C -0.839 175.152 176.000 -0.016 0.000 1.074 341 Q CA -1.026 54.795 55.803 0.030 0.000 0.808 341 Q CB 2.402 31.149 28.738 0.015 0.000 1.327 341 Q HN 0.769 nan 8.270 nan 0.000 0.441 342 S N 0.411 116.036 115.700 -0.126 0.000 2.768 342 S HA 0.450 4.920 4.470 -0.001 0.000 0.300 342 S C 1.182 175.667 174.600 -0.192 0.000 1.122 342 S CA -0.782 57.278 58.200 -0.234 0.000 0.995 342 S CB 0.340 63.176 63.200 -0.606 0.000 1.195 342 S HN 0.794 nan 8.310 nan 0.000 0.547 343 I N -1.897 118.515 120.570 -0.264 0.000 2.530 343 I HA -0.116 4.053 4.170 -0.001 0.000 0.257 343 I C 1.501 177.297 176.117 -0.534 0.000 1.179 343 I CA 1.369 62.426 61.300 -0.406 0.000 1.440 343 I CB -0.692 37.010 38.000 -0.496 0.000 1.087 343 I HN 0.587 nan 8.210 nan 0.000 0.440 344 Y N 2.265 122.402 120.300 -0.273 0.000 2.420 344 Y HA 0.473 5.023 4.550 -0.001 0.000 0.292 344 Y C 1.557 177.348 175.900 -0.181 0.000 1.119 344 Y CA 0.238 58.138 58.100 -0.334 0.000 1.229 344 Y CB -0.417 37.773 38.460 -0.450 0.000 1.026 344 Y HN 0.426 nan 8.280 nan 0.000 0.554 345 G N -0.792 107.997 108.800 -0.019 0.000 2.325 345 G HA2 0.059 4.019 3.960 -0.001 0.000 0.285 345 G HA3 0.059 4.019 3.960 -0.001 0.000 0.285 345 G C -3.123 171.776 174.900 -0.001 0.000 1.303 345 G CA -1.226 43.880 45.100 0.010 0.000 0.970 345 G HN -0.204 nan 8.290 nan 0.000 0.490 346 P HA 0.517 nan 4.420 nan 0.000 0.274 346 P C -0.433 176.862 177.300 -0.008 0.000 1.231 346 P CA -0.274 62.838 63.100 0.020 0.000 0.790 346 P CB 1.011 32.738 31.700 0.046 0.000 0.951 347 L N 2.176 123.380 121.223 -0.032 0.000 2.418 347 L HA 0.325 4.665 4.340 -0.001 0.000 0.265 347 L C 0.452 177.321 176.870 -0.002 0.000 1.143 347 L CA -0.046 54.728 54.840 -0.109 0.000 0.809 347 L CB 0.816 42.677 42.059 -0.330 0.000 1.124 347 L HN 0.257 nan 8.230 nan 0.000 0.456 348 V N 0.322 120.227 119.914 -0.015 0.000 2.760 348 V HA 0.763 4.883 4.120 -0.001 0.000 0.309 348 V C -0.797 175.315 176.094 0.030 0.000 1.077 348 V CA -0.743 61.565 62.300 0.013 0.000 0.910 348 V CB 1.899 33.677 31.823 -0.075 0.000 1.008 348 V HN 0.322 nan 8.190 nan 0.000 0.424 349 V N 3.924 123.909 119.914 0.118 0.000 2.444 349 V HA 0.501 4.621 4.120 -0.001 0.000 0.294 349 V C -1.247 175.012 176.094 0.275 0.000 1.022 349 V CA -0.190 62.215 62.300 0.175 0.000 0.850 349 V CB 1.902 33.869 31.823 0.240 0.000 0.992 349 V HN 0.925 nan 8.190 nan 0.000 0.426 350 W N 6.187 127.502 121.300 0.026 0.000 2.299 350 W HA 0.469 5.129 4.660 -0.001 0.000 0.319 350 W C -2.489 174.038 176.519 0.012 0.000 1.008 350 W CA -3.421 53.924 57.345 0.001 0.000 1.384 350 W CB 0.834 30.270 29.460 -0.039 0.000 1.220 350 W HN 0.349 nan 8.180 nan 0.000 0.402 351 P HA 0.095 nan 4.420 nan 0.000 0.262 351 P C 1.011 178.381 177.300 0.117 0.000 1.182 351 P CA 1.825 65.009 63.100 0.140 0.000 0.761 351 P CB 0.612 32.367 31.700 0.090 0.000 0.795 352 G N 1.971 110.834 108.800 0.106 0.000 2.199 352 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.254 352 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.254 352 G C 0.896 175.856 174.900 0.100 0.000 0.982 352 G CA 0.941 46.090 45.100 0.083 0.000 0.632 352 G HN 0.627 nan 8.290 nan 0.000 0.529 353 K N -0.724 119.762 120.400 0.143 0.000 2.625 353 K HA 0.485 4.804 4.320 -0.001 0.000 0.202 353 K C 0.529 177.167 176.600 0.063 0.000 1.412 353 K CA 0.382 56.758 56.287 0.148 0.000 0.989 353 K CB 0.111 32.784 32.500 0.288 0.000 1.682 353 K HN 0.278 nan 8.250 nan 0.000 0.496 354 L N 3.123 124.377 121.223 0.052 0.000 2.435 354 L HA 0.436 4.776 4.340 -0.001 0.000 0.253 354 L C -1.015 175.921 176.870 0.109 0.000 1.087 354 L CA -0.796 53.966 54.840 -0.129 0.000 0.950 354 L CB 1.126 42.858 42.059 -0.544 0.000 1.304 354 L HN 0.171 nan 8.230 nan 0.000 0.453 355 D N 0.695 121.205 120.400 0.185 0.000 2.383 355 D HA 0.132 4.771 4.640 -0.001 0.000 0.248 355 D C -0.750 175.729 176.300 0.297 0.000 1.170 355 D CA -0.102 54.029 54.000 0.218 0.000 0.977 355 D CB 1.865 42.770 40.800 0.176 0.000 1.120 355 D HN 0.258 nan 8.370 nan 0.000 0.481 356 W N 3.288 124.629 121.300 0.068 0.000 2.322 356 W HA 0.170 4.830 4.660 -0.000 0.000 0.321 356 W C -0.619 175.908 176.519 0.014 0.000 0.991 356 W CA -0.999 56.365 57.345 0.031 0.000 1.448 356 W CB -0.604 28.853 29.460 -0.004 0.000 1.239 356 W HN 0.350 nan 8.180 nan 0.000 0.399 357 N N 2.523 121.436 118.700 0.355 0.000 2.992 357 N HA 0.419 5.159 4.740 -0.001 0.000 0.338 357 N C 0.782 176.401 175.510 0.182 0.000 1.376 357 N CA -0.491 52.667 53.050 0.180 0.000 0.778 357 N CB 0.685 39.248 38.487 0.126 0.000 1.232 357 N HN 0.234 nan 8.380 nan 0.000 0.581 358 R N -0.933 119.628 120.500 0.101 0.000 2.299 358 R HA 0.239 4.579 4.340 -0.001 0.000 0.197 358 R C 0.690 177.047 176.300 0.094 0.000 0.971 358 R CA 0.530 56.683 56.100 0.089 0.000 1.030 358 R CB -0.074 30.253 30.300 0.045 0.000 0.932 358 R HN 0.505 nan 8.270 nan 0.000 0.477 359 S N 0.129 115.884 115.700 0.092 0.000 2.502 359 S HA 0.008 4.477 4.470 -0.001 0.000 0.228 359 S C 0.400 175.031 174.600 0.051 0.000 1.061 359 S CA 0.115 58.354 58.200 0.065 0.000 0.935 359 S CB 0.461 63.691 63.200 0.050 0.000 0.809 359 S HN 0.416 nan 8.310 nan 0.000 0.510 360 E N -0.185 120.052 120.200 0.061 0.000 2.413 360 E HA 0.795 5.144 4.350 -0.001 0.000 0.277 360 E C -1.278 175.303 176.600 -0.032 0.000 0.958 360 E CA -1.232 55.153 56.400 -0.025 0.000 0.779 360 E CB 1.887 31.551 29.700 -0.059 0.000 1.278 360 E HN 0.127 nan 8.360 nan 0.000 0.456 361 A N 0.876 123.556 122.820 -0.233 0.000 2.588 361 A HA 0.666 4.985 4.320 -0.001 0.000 0.290 361 A C -2.123 175.207 177.584 -0.424 0.000 1.136 361 A CA -0.761 51.092 52.037 -0.306 0.000 0.681 361 A CB 1.205 19.723 19.000 -0.802 0.000 1.282 361 A HN 0.533 nan 8.150 nan 0.000 0.421 362 Y N -0.390 119.750 120.300 -0.267 0.000 2.409 362 Y HA 0.657 5.207 4.550 -0.001 0.000 0.343 362 Y C 0.586 176.353 175.900 -0.221 0.000 0.973 362 Y CA 0.116 58.091 58.100 -0.210 0.000 1.064 362 Y CB 2.264 40.610 38.460 -0.190 0.000 1.207 362 Y HN 1.001 nan 8.280 nan 0.000 0.452 363 A N 3.297 126.094 122.820 -0.039 0.000 2.322 363 A HA 0.859 5.179 4.320 -0.001 0.000 0.327 363 A C -1.759 175.890 177.584 0.109 0.000 1.134 363 A CA -0.843 51.189 52.037 -0.008 0.000 0.831 363 A CB 1.332 20.321 19.000 -0.018 0.000 1.288 363 A HN 0.800 nan 8.150 nan 0.000 0.472 364 L N 0.735 122.027 121.223 0.115 0.000 2.376 364 L HA 0.618 4.958 4.340 -0.001 0.000 0.275 364 L C -0.267 176.740 176.870 0.228 0.000 0.987 364 L CA -0.500 54.449 54.840 0.182 0.000 0.828 364 L CB 1.372 43.476 42.059 0.073 0.000 1.249 364 L HN 0.823 nan 8.230 nan 0.000 0.409 365 R N 3.589 124.300 120.500 0.352 0.000 2.265 365 R HA 0.259 4.599 4.340 -0.001 0.000 0.328 365 R C -1.183 175.421 176.300 0.507 0.000 0.969 365 R CA -0.566 55.710 56.100 0.294 0.000 0.832 365 R CB 0.921 31.270 30.300 0.081 0.000 1.139 365 R HN 0.562 nan 8.270 nan 0.000 0.457 366 D N 3.619 124.257 120.400 0.398 0.000 2.274 366 D HA 0.176 4.816 4.640 -0.001 0.000 0.239 366 D C 0.537 177.146 176.300 0.515 0.000 1.104 366 D CA -0.149 54.124 54.000 0.455 0.000 0.840 366 D CB 1.936 42.898 40.800 0.271 0.000 1.100 366 D HN 0.651 nan 8.370 nan 0.000 0.477 367 A N 4.571 127.761 122.820 0.618 0.000 2.015 367 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 367 A C 1.686 179.486 177.584 0.361 0.000 1.163 367 A CA 0.721 53.092 52.037 0.557 0.000 0.646 367 A CB -0.131 19.046 19.000 0.294 0.000 0.806 367 A HN 0.627 nan 8.150 nan 0.000 0.448 368 N N -0.108 118.784 118.700 0.319 0.000 2.463 368 N HA 0.057 4.797 4.740 -0.001 0.000 0.181 368 N C 1.426 177.056 175.510 0.200 0.000 1.078 368 N CA 0.317 53.513 53.050 0.243 0.000 0.902 368 N CB -0.120 38.522 38.487 0.259 0.000 0.970 368 N HN 0.477 nan 8.380 nan 0.000 0.451 369 L N 0.884 122.228 121.223 0.202 0.000 2.129 369 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 369 L C 1.421 178.367 176.870 0.127 0.000 1.087 369 L CA 1.186 56.115 54.840 0.150 0.000 0.757 369 L CB -0.022 42.118 42.059 0.136 0.000 0.896 369 L HN 0.027 nan 8.230 nan 0.000 0.434 370 E N -0.726 119.561 120.200 0.145 0.000 2.465 370 E HA 0.032 4.381 4.350 -0.001 0.000 0.195 370 E C -0.001 176.664 176.600 0.109 0.000 1.028 370 E CA -0.036 56.434 56.400 0.117 0.000 0.899 370 E CB -0.128 29.645 29.700 0.122 0.000 1.032 370 E HN 0.214 nan 8.360 nan 0.000 0.468 371 N N 1.748 120.518 118.700 0.117 0.000 2.663 371 N HA -0.029 4.711 4.740 -0.001 0.000 0.250 371 N C 0.637 176.193 175.510 0.078 0.000 1.129 371 N CA 0.173 53.280 53.050 0.095 0.000 0.995 371 N CB 0.302 38.850 38.487 0.101 0.000 1.324 371 N HN -0.121 nan 8.380 nan 0.000 0.512 372 T N -0.131 114.462 114.554 0.064 0.000 3.129 372 T HA 0.145 4.495 4.350 -0.001 0.000 0.251 372 T C 1.148 175.878 174.700 0.049 0.000 1.117 372 T CA 0.288 62.421 62.100 0.055 0.000 1.034 372 T CB -0.047 68.849 68.868 0.047 0.000 0.968 372 T HN 0.368 nan 8.240 nan 0.000 0.526 373 R N 0.070 120.596 120.500 0.044 0.000 2.334 373 R HA 0.347 4.686 4.340 -0.001 0.000 0.216 373 R C 2.149 178.473 176.300 0.039 0.000 0.905 373 R CA -0.011 56.107 56.100 0.030 0.000 1.064 373 R CB -0.083 30.220 30.300 0.005 0.000 1.046 373 R HN 0.258 nan 8.270 nan 0.000 0.508 374 V N 1.160 121.117 119.914 0.071 0.000 2.343 374 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 374 V C 1.730 177.963 176.094 0.231 0.000 1.051 374 V CA 1.827 64.209 62.300 0.137 0.000 1.036 374 V CB -0.057 31.855 31.823 0.147 0.000 0.654 374 V HN 0.311 nan 8.190 nan 0.000 0.451 375 L N -0.563 120.759 121.223 0.165 0.000 2.095 375 L HA -0.140 4.200 4.340 -0.001 0.000 0.204 375 L C 2.658 179.640 176.870 0.186 0.000 1.080 375 L CA 1.911 56.859 54.840 0.180 0.000 0.759 375 L CB -0.769 41.345 42.059 0.090 0.000 0.914 375 L HN 0.396 nan 8.230 nan 0.000 0.439 376 Q N 0.230 120.105 119.800 0.124 0.000 2.112 376 Q HA -0.322 4.018 4.340 -0.001 0.000 0.206 376 Q C 2.223 178.276 176.000 0.087 0.000 0.987 376 Q CA 2.117 57.993 55.803 0.123 0.000 0.858 376 Q CB 0.018 28.797 28.738 0.068 0.000 0.905 376 Q HN 0.355 nan 8.270 nan 0.000 0.420 377 Q N -0.151 119.658 119.800 0.016 0.000 2.030 377 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 377 Q C 1.626 177.492 176.000 -0.224 0.000 0.986 377 Q CA 2.089 57.797 55.803 -0.159 0.000 0.843 377 Q CB -0.552 28.009 28.738 -0.296 0.000 0.904 377 Q HN 0.534 nan 8.270 nan 0.000 0.420 378 W N -0.679 120.622 121.300 0.001 0.000 2.388 378 W HA -0.178 4.482 4.660 -0.000 0.000 0.294 378 W C 2.037 178.608 176.519 0.087 0.000 1.212 378 W CA 1.144 58.509 57.345 0.033 0.000 1.271 378 W CB -0.661 28.854 29.460 0.091 0.000 1.126 378 W HN 0.304 nan 8.180 nan 0.000 0.535 379 Y N 0.978 121.367 120.300 0.148 0.000 2.224 379 Y HA -0.250 4.299 4.550 -0.001 0.000 0.289 379 Y C 2.828 178.723 175.900 -0.007 0.000 1.146 379 Y CA 1.858 60.006 58.100 0.079 0.000 1.182 379 Y CB -0.959 37.539 38.460 0.063 0.000 0.983 379 Y HN -0.216 nan 8.280 nan 0.000 0.524 380 S N -0.187 115.477 115.700 -0.060 0.000 2.356 380 S HA -0.178 4.291 4.470 -0.001 0.000 0.223 380 S C 2.161 176.598 174.600 -0.272 0.000 1.032 380 S CA 1.581 59.664 58.200 -0.195 0.000 1.005 380 S CB -0.600 62.508 63.200 -0.153 0.000 0.867 380 S HN 0.481 nan 8.310 nan 0.000 0.449 381 I N 2.068 122.432 120.570 -0.343 0.000 2.194 381 I HA -0.264 3.905 4.170 -0.001 0.000 0.246 381 I C 2.160 177.955 176.117 -0.537 0.000 1.093 381 I CA 1.667 62.634 61.300 -0.554 0.000 1.355 381 I CB -0.613 36.901 38.000 -0.811 0.000 1.046 381 I HN 0.454 nan 8.210 nan 0.000 0.413 382 N N 0.088 118.620 118.700 -0.279 0.000 2.364 382 N HA -0.213 4.527 4.740 -0.001 0.000 0.183 382 N C 1.506 176.948 175.510 -0.113 0.000 1.022 382 N CA 0.754 53.757 53.050 -0.079 0.000 0.883 382 N CB -0.046 38.517 38.487 0.127 0.000 0.965 382 N HN 0.527 nan 8.380 nan 0.000 0.438 383 Q N 0.150 119.815 119.800 -0.224 0.000 2.392 383 Q HA 0.226 4.565 4.340 -0.001 0.000 0.203 383 Q C 0.030 175.954 176.000 -0.127 0.000 0.917 383 Q CA -0.342 55.350 55.803 -0.185 0.000 0.939 383 Q CB 0.631 29.208 28.738 -0.269 0.000 1.063 383 Q HN 0.234 nan 8.270 nan 0.000 0.516 384 A N 0.979 123.703 122.820 -0.161 0.000 2.477 384 A HA 0.130 4.450 4.320 -0.001 0.000 0.246 384 A C 1.172 178.730 177.584 -0.043 0.000 1.078 384 A CA 0.210 52.169 52.037 -0.130 0.000 0.770 384 A CB 0.399 19.277 19.000 -0.202 0.000 1.011 384 A HN 0.356 nan 8.150 nan 0.000 0.494 385 S N 1.295 116.979 115.700 -0.026 0.000 2.371 385 S HA 0.081 4.551 4.470 -0.001 0.000 0.221 385 S C 0.467 175.083 174.600 0.027 0.000 1.036 385 S CA 0.956 59.172 58.200 0.027 0.000 0.965 385 S CB -0.331 62.871 63.200 0.004 0.000 0.845 385 S HN 0.910 nan 8.310 nan 0.000 0.475 386 D N -0.777 119.608 120.400 -0.025 0.000 2.812 386 D HA 0.370 5.010 4.640 -0.001 0.000 0.318 386 D C 0.847 177.121 176.300 -0.043 0.000 1.234 386 D CA -0.751 53.224 54.000 -0.043 0.000 0.989 386 D CB 0.784 41.535 40.800 -0.082 0.000 1.442 386 D HN -0.113 nan 8.370 nan 0.000 0.537 387 V N 0.243 120.132 119.914 -0.042 0.000 2.343 387 V HA -0.126 3.994 4.120 -0.001 0.000 0.247 387 V C 2.522 178.589 176.094 -0.044 0.000 1.051 387 V CA 2.697 64.979 62.300 -0.029 0.000 1.036 387 V CB -1.077 30.739 31.823 -0.012 0.000 0.654 387 V HN 0.753 nan 8.190 nan 0.000 0.451 388 A N -0.173 122.618 122.820 -0.048 0.000 1.908 388 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 388 A C 2.059 179.606 177.584 -0.062 0.000 1.181 388 A CA 2.279 54.285 52.037 -0.050 0.000 0.627 388 A CB -0.682 18.289 19.000 -0.048 0.000 0.818 388 A HN 0.588 nan 8.150 nan 0.000 0.445 389 D N -0.640 119.719 120.400 -0.068 0.000 2.097 389 D HA -0.131 4.509 4.640 -0.001 0.000 0.197 389 D C 1.808 178.044 176.300 -0.107 0.000 0.984 389 D CA 1.258 55.210 54.000 -0.081 0.000 0.826 389 D CB -0.266 40.488 40.800 -0.076 0.000 0.973 389 D HN 0.231 nan 8.370 nan 0.000 0.460 390 L N 1.078 122.231 121.223 -0.116 0.000 2.013 390 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 390 L C 2.385 179.165 176.870 -0.151 0.000 1.073 390 L CA 1.945 56.688 54.840 -0.163 0.000 0.753 390 L CB -0.730 41.239 42.059 -0.149 0.000 0.890 390 L HN -0.017 nan 8.230 nan 0.000 0.432 391 R N -0.700 119.735 120.500 -0.108 0.000 2.083 391 R HA -0.175 4.165 4.340 -0.001 0.000 0.237 391 R C 2.462 178.702 176.300 -0.099 0.000 1.137 391 R CA 1.704 57.745 56.100 -0.097 0.000 0.951 391 R CB -0.247 30.013 30.300 -0.066 0.000 0.851 391 R HN 0.376 nan 8.270 nan 0.000 0.434 392 R N -0.045 120.401 120.500 -0.090 0.000 2.083 392 R HA -0.133 4.207 4.340 -0.001 0.000 0.237 392 R C 2.498 178.736 176.300 -0.102 0.000 1.137 392 R CA 1.971 58.021 56.100 -0.084 0.000 0.951 392 R CB -0.247 30.009 30.300 -0.073 0.000 0.851 392 R HN 0.290 nan 8.270 nan 0.000 0.434 393 R N -0.134 120.289 120.500 -0.128 0.000 2.115 393 R HA -0.049 4.290 4.340 -0.001 0.000 0.230 393 R C 2.251 178.447 176.300 -0.174 0.000 1.111 393 R CA 0.985 56.995 56.100 -0.150 0.000 0.976 393 R CB -0.086 30.105 30.300 -0.183 0.000 0.870 393 R HN 0.062 nan 8.270 nan 0.000 0.445 394 V N 0.892 120.691 119.914 -0.191 0.000 2.407 394 V HA -0.151 3.968 4.120 -0.001 0.000 0.245 394 V C 1.861 177.861 176.094 -0.157 0.000 1.041 394 V CA 1.618 63.791 62.300 -0.212 0.000 1.040 394 V CB -0.270 31.416 31.823 -0.229 0.000 0.671 394 V HN 0.303 nan 8.190 nan 0.000 0.455 395 E N 0.412 120.538 120.200 -0.124 0.000 2.150 395 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 395 E C 2.300 178.849 176.600 -0.084 0.000 0.985 395 E CA 1.161 57.504 56.400 -0.095 0.000 0.814 395 E CB -0.255 29.399 29.700 -0.076 0.000 0.752 395 E HN 0.588 nan 8.360 nan 0.000 0.466 396 A N 0.877 123.646 122.820 -0.085 0.000 1.898 396 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 396 A C 2.069 179.611 177.584 -0.069 0.000 1.181 396 A CA 1.030 53.025 52.037 -0.070 0.000 0.620 396 A CB -0.250 18.709 19.000 -0.068 0.000 0.819 396 A HN 0.183 nan 8.150 nan 0.000 0.442 397 L N -1.245 119.925 121.223 -0.089 0.000 2.298 397 L HA 0.110 4.450 4.340 -0.001 0.000 0.209 397 L C 0.706 177.527 176.870 -0.081 0.000 1.084 397 L CA 1.218 56.008 54.840 -0.082 0.000 0.816 397 L CB -0.392 41.607 42.059 -0.100 0.000 0.967 397 L HN 0.579 nan 8.230 nan 0.000 0.460 398 Q N -0.563 119.175 119.800 -0.104 0.000 2.435 398 Q HA -0.228 4.112 4.340 -0.001 0.000 0.312 398 Q C 0.985 176.931 176.000 -0.090 0.000 1.333 398 Q CA 0.428 56.174 55.803 -0.095 0.000 0.883 398 Q CB -2.350 26.352 28.738 -0.060 0.000 1.170 398 Q HN 0.624 nan 8.270 nan 0.000 0.443 399 G N -0.277 108.440 108.800 -0.139 0.000 3.088 399 G HA2 0.249 4.208 3.960 -0.001 0.000 0.217 399 G HA3 0.249 4.208 3.960 -0.001 0.000 0.217 399 G C 0.544 175.341 174.900 -0.173 0.000 1.159 399 G CA -0.340 44.688 45.100 -0.120 0.000 0.760 399 G HN 0.346 nan 8.290 nan 0.000 0.550 400 I N 1.572 121.982 120.570 -0.267 0.000 2.452 400 I HA 0.147 4.316 4.170 -0.001 0.000 0.287 400 I C -1.430 174.568 176.117 -0.197 0.000 1.079 400 I CA -1.776 59.327 61.300 -0.329 0.000 1.387 400 I CB 2.133 39.892 38.000 -0.403 0.000 1.404 400 I HN -0.055 nan 8.210 nan 0.000 0.522 401 P HA -0.050 nan 4.420 nan 0.000 0.216 401 P C 0.312 177.384 177.300 -0.380 0.000 1.156 401 P CA 1.276 64.202 63.100 -0.289 0.000 0.855 401 P CB 0.220 31.633 31.700 -0.480 0.000 0.786 402 W N -1.981 119.164 121.300 -0.259 0.000 0.890 402 W HA 0.481 5.141 4.660 -0.001 0.000 0.201 402 W C -0.997 175.480 176.519 -0.070 0.000 0.741 402 W CA -0.535 56.505 57.345 -0.510 0.000 1.243 402 W CB -0.337 28.856 29.460 -0.445 0.000 0.808 402 W HN -0.283 nan 8.180 nan 0.000 0.383 403 V N -0.775 119.180 119.914 0.069 0.000 2.914 403 V HA 0.571 4.691 4.120 -0.001 0.000 0.314 403 V C 0.017 176.199 176.094 0.148 0.000 1.084 403 V CA -1.062 61.343 62.300 0.174 0.000 0.963 403 V CB 1.675 33.562 31.823 0.107 0.000 1.025 403 V HN 0.057 nan 8.190 nan 0.000 0.432 404 N N 1.327 120.141 118.700 0.191 0.000 2.415 404 N HA 0.372 5.112 4.740 -0.001 0.000 0.248 404 N C -0.172 175.458 175.510 0.200 0.000 1.271 404 N CA 0.149 53.255 53.050 0.093 0.000 0.913 404 N CB 1.040 39.626 38.487 0.165 0.000 1.129 404 N HN 0.931 nan 8.380 nan 0.000 0.444 405 T N 1.530 116.105 114.554 0.036 0.000 2.824 405 T HA 0.580 4.929 4.350 -0.001 0.000 0.282 405 T C -0.417 174.288 174.700 0.007 0.000 0.993 405 T CA -0.496 61.661 62.100 0.095 0.000 0.967 405 T CB 1.066 69.978 68.868 0.073 0.000 0.960 405 T HN 0.146 nan 8.240 nan 0.000 0.441 406 L N 2.476 123.742 121.223 0.071 0.000 2.386 406 L HA 0.923 5.263 4.340 -0.001 0.000 0.271 406 L C -0.306 176.639 176.870 0.125 0.000 0.993 406 L CA -0.460 54.453 54.840 0.122 0.000 0.819 406 L CB 1.972 44.136 42.059 0.176 0.000 1.294 406 L HN 0.878 nan 8.230 nan 0.000 0.414 407 A N 1.899 124.801 122.820 0.137 0.000 2.606 407 A HA 1.014 5.334 4.320 -0.001 0.000 0.293 407 A C -1.655 176.016 177.584 0.145 0.000 1.082 407 A CA -0.115 52.021 52.037 0.166 0.000 0.685 407 A CB 1.853 20.958 19.000 0.174 0.000 1.284 407 A HN 0.901 nan 8.150 nan 0.000 0.408 408 A N 0.971 123.896 122.820 0.174 0.000 2.515 408 A HA 0.849 5.169 4.320 -0.001 0.000 0.298 408 A C -1.364 176.295 177.584 0.126 0.000 1.059 408 A CA -0.115 52.017 52.037 0.159 0.000 0.698 408 A CB 1.399 20.524 19.000 0.208 0.000 1.289 408 A HN 1.272 nan 8.150 nan 0.000 0.404 409 D N -0.532 119.844 120.400 -0.041 0.000 2.533 409 D HA 0.315 4.955 4.640 -0.001 0.000 0.247 409 D C 0.657 176.622 176.300 -0.559 0.000 1.056 409 D CA -0.417 53.367 54.000 -0.361 0.000 1.054 409 D CB 0.717 41.391 40.800 -0.210 0.000 1.400 409 D HN 0.523 nan 8.370 nan 0.000 0.533 410 E N -1.004 118.687 120.200 -0.849 0.000 2.118 410 E HA -0.241 4.108 4.350 -0.001 0.000 0.195 410 E C 1.260 177.771 176.600 -0.148 0.000 0.992 410 E CA 1.093 57.206 56.400 -0.478 0.000 0.804 410 E CB 0.120 29.677 29.700 -0.239 0.000 0.741 410 E HN 0.332 nan 8.360 nan 0.000 0.458 411 Q N -0.832 118.883 119.800 -0.141 0.000 2.488 411 Q HA -0.017 4.323 4.340 -0.001 0.000 0.211 411 Q C 1.106 177.085 176.000 -0.036 0.000 0.967 411 Q CA 1.028 56.787 55.803 -0.072 0.000 0.926 411 Q CB 0.764 29.454 28.738 -0.079 0.000 0.992 411 Q HN 0.517 nan 8.270 nan 0.000 0.506 412 G N 1.428 110.210 108.800 -0.030 0.000 2.130 412 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 412 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 412 G C -0.135 174.773 174.900 0.014 0.000 0.999 412 G CA -0.282 44.827 45.100 0.014 0.000 0.686 412 G HN 0.252 nan 8.290 nan 0.000 0.515 413 N N 0.712 119.411 118.700 -0.002 0.000 2.514 413 N HA 0.564 5.303 4.740 -0.001 0.000 0.277 413 N C 0.151 175.682 175.510 0.035 0.000 1.126 413 N CA 0.706 53.761 53.050 0.008 0.000 0.978 413 N CB 1.675 40.157 38.487 -0.009 0.000 1.106 413 N HN 0.713 nan 8.380 nan 0.000 0.461 414 A N 2.111 124.958 122.820 0.045 0.000 2.304 414 A HA 0.527 4.847 4.320 -0.001 0.000 0.314 414 A C -0.813 176.814 177.584 0.071 0.000 1.187 414 A CA -0.624 51.457 52.037 0.073 0.000 0.810 414 A CB 0.644 19.695 19.000 0.086 0.000 1.183 414 A HN 0.559 nan 8.150 nan 0.000 0.487 415 L N 2.784 124.062 121.223 0.091 0.000 2.341 415 L HA 0.724 5.063 4.340 -0.001 0.000 0.278 415 L C -1.252 175.709 176.870 0.152 0.000 1.005 415 L CA -0.551 54.344 54.840 0.091 0.000 0.818 415 L CB 1.495 43.583 42.059 0.048 0.000 1.259 415 L HN 0.652 nan 8.230 nan 0.000 0.418 416 Y N 5.558 125.875 120.300 0.028 0.000 2.409 416 Y HA 0.784 5.334 4.550 -0.001 0.000 0.343 416 Y C -1.289 174.624 175.900 0.022 0.000 0.973 416 Y CA -1.018 57.103 58.100 0.036 0.000 1.064 416 Y CB 1.745 40.227 38.460 0.037 0.000 1.207 416 Y HN 0.636 nan 8.280 nan 0.000 0.452 417 M N 5.468 124.604 119.600 -0.774 0.000 2.263 417 M HA 0.227 4.706 4.480 -0.001 0.000 0.295 417 M C -0.751 175.044 176.300 -0.843 0.000 1.028 417 M CA -0.735 54.188 55.300 -0.629 0.000 0.921 417 M CB 1.809 34.240 32.600 -0.280 0.000 1.601 417 M HN 0.630 nan 8.290 nan 0.000 0.440 418 N N 2.691 121.017 118.700 -0.623 0.000 3.052 418 N HA 0.071 4.811 4.740 -0.001 0.000 0.302 418 N C -0.998 174.418 175.510 -0.157 0.000 1.332 418 N CA 0.159 53.038 53.050 -0.285 0.000 1.129 418 N CB 0.454 38.872 38.487 -0.115 0.000 1.436 418 N HN 0.504 nan 8.380 nan 0.000 0.536 419 Q N 0.714 120.418 119.800 -0.159 0.000 2.509 419 Q HA 0.259 4.598 4.340 -0.001 0.000 0.236 419 Q C -0.435 175.515 176.000 -0.083 0.000 1.073 419 Q CA -0.196 55.540 55.803 -0.113 0.000 0.867 419 Q CB 0.771 29.428 28.738 -0.135 0.000 1.181 419 Q HN 0.534 nan 8.270 nan 0.000 0.526 420 S N -0.861 114.827 115.700 -0.020 0.000 2.911 420 S HA 0.604 5.074 4.470 -0.001 0.000 0.319 420 S C -0.252 174.382 174.600 0.058 0.000 1.154 420 S CA -0.767 57.442 58.200 0.015 0.000 0.857 420 S CB 1.149 64.420 63.200 0.118 0.000 1.279 420 S HN 0.126 nan 8.310 nan 0.000 0.593 421 V N 1.694 121.674 119.914 0.111 0.000 2.348 421 V HA 0.550 4.670 4.120 -0.001 0.000 0.270 421 V C -0.921 175.316 176.094 0.239 0.000 1.037 421 V CA -0.313 62.065 62.300 0.130 0.000 0.872 421 V CB 0.502 32.397 31.823 0.120 0.000 1.002 421 V HN 0.648 nan 8.190 nan 0.000 0.464 422 V N 7.848 127.805 119.914 0.072 0.000 2.531 422 V HA 0.402 4.521 4.120 -0.001 0.000 0.301 422 V C -2.437 173.527 176.094 -0.216 0.000 1.034 422 V CA -2.269 59.994 62.300 -0.062 0.000 0.865 422 V CB 2.320 34.093 31.823 -0.084 0.000 0.995 422 V HN 0.635 nan 8.190 nan 0.000 0.424 423 P HA -0.018 nan 4.420 nan 0.000 0.262 423 P C -1.179 175.828 177.300 -0.489 0.000 1.182 423 P CA 0.234 62.726 63.100 -1.013 0.000 0.761 423 P CB 0.077 30.785 31.700 -1.652 0.000 0.795 424 Y N 5.056 125.092 120.300 -0.440 0.000 2.341 424 Y HA 0.538 5.087 4.550 -0.001 0.000 0.340 424 Y C -1.020 174.820 175.900 -0.100 0.000 0.997 424 Y CA -1.246 56.748 58.100 -0.177 0.000 1.149 424 Y CB 0.512 38.946 38.460 -0.042 0.000 1.171 424 Y HN 0.189 nan 8.280 nan 0.000 0.494 425 L N 6.617 127.620 121.223 -0.366 0.000 2.381 425 L HA 0.478 4.818 4.340 -0.001 0.000 0.274 425 L C -0.808 175.744 176.870 -0.530 0.000 0.988 425 L CA -0.780 53.824 54.840 -0.392 0.000 0.824 425 L CB 1.463 43.426 42.059 -0.161 0.000 1.263 425 L HN 0.567 nan 8.230 nan 0.000 0.410 426 K N 6.465 126.517 120.400 -0.581 0.000 2.485 426 K HA 0.102 4.422 4.320 -0.001 0.000 0.277 426 K C -1.559 174.943 176.600 -0.163 0.000 0.990 426 K CA -0.788 55.279 56.287 -0.367 0.000 0.994 426 K CB 0.364 32.727 32.500 -0.228 0.000 0.906 426 K HN 0.456 nan 8.250 nan 0.000 0.488 427 P HA -0.266 nan 4.420 nan 0.000 0.216 427 P C 0.829 178.103 177.300 -0.043 0.000 1.150 427 P CA 1.521 64.593 63.100 -0.046 0.000 0.843 427 P CB 0.121 31.810 31.700 -0.018 0.000 0.787 428 E N 0.562 120.739 120.200 -0.038 0.000 2.338 428 E HA -0.124 4.226 4.350 -0.001 0.000 0.197 428 E C 1.922 178.504 176.600 -0.029 0.000 1.007 428 E CA 0.834 57.217 56.400 -0.028 0.000 0.849 428 E CB -1.021 28.667 29.700 -0.019 0.000 0.774 428 E HN 0.331 nan 8.360 nan 0.000 0.506 429 L N 0.246 121.444 121.223 -0.042 0.000 2.375 429 L HA 0.108 4.448 4.340 -0.001 0.000 0.215 429 L C 2.505 179.356 176.870 -0.032 0.000 1.108 429 L CA 0.116 54.936 54.840 -0.033 0.000 0.830 429 L CB -0.205 41.832 42.059 -0.037 0.000 0.959 429 L HN 0.004 nan 8.230 nan 0.000 0.457 430 I N 0.591 121.135 120.570 -0.043 0.000 2.179 430 I HA -0.192 3.978 4.170 -0.001 0.000 0.242 430 I C -0.267 175.829 176.117 -0.034 0.000 1.088 430 I CA 1.398 62.671 61.300 -0.045 0.000 1.357 430 I CB -1.394 36.574 38.000 -0.053 0.000 1.051 430 I HN 0.196 nan 8.210 nan 0.000 0.409 431 P HA -0.170 nan 4.420 nan 0.000 0.218 431 P C 1.155 178.445 177.300 -0.016 0.000 1.148 431 P CA 1.742 64.830 63.100 -0.020 0.000 0.822 431 P CB 0.024 31.714 31.700 -0.016 0.000 0.784 432 A N -2.222 120.591 122.820 -0.013 0.000 2.115 432 A HA 0.014 4.333 4.320 -0.001 0.000 0.211 432 A C 2.018 179.598 177.584 -0.006 0.000 1.169 432 A CA 0.573 52.606 52.037 -0.006 0.000 0.787 432 A CB -1.127 17.872 19.000 -0.001 0.000 0.858 432 A HN 0.195 nan 8.150 nan 0.000 0.474 433 c N -0.262 118.332 118.600 -0.011 0.000 2.563 433 c HA 0.506 5.076 4.570 -0.001 0.000 0.268 433 c C 1.683 175.750 174.090 -0.038 0.000 1.365 433 c CA -0.297 56.026 56.329 -0.010 0.000 1.754 433 c CB -1.289 41.222 42.510 0.002 0.000 1.932 433 c HN 0.627 nan 8.230 nan 0.000 0.536 434 A N 1.253 124.047 122.820 -0.043 0.000 2.386 434 A HA 0.477 4.796 4.320 -0.001 0.000 0.248 434 A C 0.033 177.596 177.584 -0.036 0.000 1.082 434 A CA 0.244 52.248 52.037 -0.054 0.000 0.789 434 A CB 0.088 19.059 19.000 -0.048 0.000 1.025 434 A HN 0.343 nan 8.150 nan 0.000 0.490 435 I N 3.553 124.103 120.570 -0.033 0.000 2.294 435 I HA 0.160 4.329 4.170 -0.001 0.000 0.295 435 I C -1.681 174.436 176.117 0.000 0.000 1.098 435 I CA -1.871 59.428 61.300 -0.001 0.000 1.277 435 I CB 0.475 38.498 38.000 0.038 0.000 1.434 435 I HN 0.424 nan 8.210 nan 0.000 0.498 436 P HA -0.201 nan 4.420 nan 0.000 0.215 436 P C 1.273 178.576 177.300 0.006 0.000 1.157 436 P CA 1.636 64.737 63.100 0.001 0.000 0.874 436 P CB 0.301 32.004 31.700 0.005 0.000 0.790 437 Q N -1.059 118.751 119.800 0.017 0.000 2.167 437 Q HA -0.055 4.284 4.340 -0.001 0.000 0.202 437 Q C 2.128 178.139 176.000 0.019 0.000 0.970 437 Q CA 1.121 56.937 55.803 0.022 0.000 0.855 437 Q CB -0.849 27.909 28.738 0.033 0.000 0.911 437 Q HN 0.280 nan 8.270 nan 0.000 0.438 438 L N -0.132 121.100 121.223 0.014 0.000 2.202 438 L HA -0.018 4.321 4.340 -0.001 0.000 0.205 438 L C 2.184 179.049 176.870 -0.009 0.000 1.083 438 L CA 0.538 55.379 54.840 0.002 0.000 0.790 438 L CB -0.472 41.578 42.059 -0.014 0.000 0.942 438 L HN 0.220 nan 8.230 nan 0.000 0.452 439 V N -2.587 117.315 119.914 -0.019 0.000 2.548 439 V HA -0.070 4.050 4.120 -0.001 0.000 0.249 439 V C 2.616 178.699 176.094 -0.018 0.000 1.055 439 V CA 1.309 63.589 62.300 -0.033 0.000 1.065 439 V CB -1.117 30.677 31.823 -0.047 0.000 0.681 439 V HN 0.267 nan 8.190 nan 0.000 0.462 440 A N 1.045 123.861 122.820 -0.007 0.000 1.986 440 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 440 A C 2.059 179.647 177.584 0.007 0.000 1.171 440 A CA 2.140 54.178 52.037 0.001 0.000 0.640 440 A CB -0.577 18.428 19.000 0.007 0.000 0.811 440 A HN 0.773 nan 8.150 nan 0.000 0.451 441 E N -1.776 118.432 120.200 0.014 0.000 2.474 441 E HA 0.333 4.683 4.350 -0.001 0.000 0.195 441 E C 1.003 177.622 176.600 0.031 0.000 1.039 441 E CA 0.211 56.628 56.400 0.028 0.000 0.881 441 E CB 0.035 29.762 29.700 0.044 0.000 0.970 441 E HN 0.729 nan 8.360 nan 0.000 0.486 442 G N 1.726 110.532 108.800 0.010 0.000 2.143 442 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.249 442 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.249 442 G C 0.082 174.983 174.900 0.001 0.000 0.981 442 G CA -0.190 44.911 45.100 0.003 0.000 0.665 442 G HN 0.231 nan 8.290 nan 0.000 0.528 443 L N 2.370 123.596 121.223 0.005 0.000 2.281 443 L HA 0.359 4.699 4.340 -0.001 0.000 0.285 443 L C -1.533 175.273 176.870 -0.107 0.000 1.074 443 L CA -1.989 52.847 54.840 -0.006 0.000 0.817 443 L CB 1.192 43.261 42.059 0.017 0.000 1.168 443 L HN -0.043 nan 8.230 nan 0.000 0.434 444 P HA 0.163 nan 4.420 nan 0.000 0.273 444 P C -1.097 176.051 177.300 -0.253 0.000 1.319 444 P CA -0.068 62.844 63.100 -0.313 0.000 0.885 444 P CB 0.849 32.221 31.700 -0.546 0.000 1.015 445 A N 5.033 127.746 122.820 -0.179 0.000 2.374 445 A HA 0.713 5.033 4.320 -0.001 0.000 0.305 445 A C -0.823 176.649 177.584 -0.187 0.000 1.053 445 A CA -0.712 51.239 52.037 -0.144 0.000 0.726 445 A CB 1.164 20.145 19.000 -0.033 0.000 1.229 445 A HN 0.433 nan 8.150 nan 0.000 0.431 446 L N 1.382 122.406 121.223 -0.332 0.000 2.319 446 L HA 0.453 4.793 4.340 -0.001 0.000 0.267 446 L C -0.086 176.670 176.870 -0.190 0.000 1.011 446 L CA -1.081 53.558 54.840 -0.335 0.000 0.818 446 L CB 1.814 43.519 42.059 -0.589 0.000 1.316 446 L HN 0.650 nan 8.230 nan 0.000 0.432 447 Q N 1.374 121.140 119.800 -0.057 0.000 2.300 447 Q HA 0.086 4.425 4.340 -0.001 0.000 0.262 447 Q C 0.807 176.865 176.000 0.097 0.000 1.109 447 Q CA 0.064 55.870 55.803 0.006 0.000 0.905 447 Q CB 0.975 29.723 28.738 0.016 0.000 1.280 447 Q HN 0.900 nan 8.270 nan 0.000 0.426 448 G N 2.642 111.476 108.800 0.057 0.000 3.088 448 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.212 448 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.212 448 G C 0.975 175.959 174.900 0.141 0.000 1.173 448 G CA -0.005 45.084 45.100 -0.018 0.000 0.779 448 G HN 0.487 nan 8.290 nan 0.000 0.540 449 Q N 0.400 120.259 119.800 0.098 0.000 2.319 449 Q HA 0.069 4.409 4.340 -0.001 0.000 0.202 449 Q C -0.865 175.186 176.000 0.084 0.000 0.896 449 Q CA 0.099 55.962 55.803 0.101 0.000 0.942 449 Q CB 0.403 29.175 28.738 0.057 0.000 1.083 449 Q HN 0.272 nan 8.270 nan 0.000 0.510 450 D N 0.867 121.326 120.400 0.097 0.000 2.549 450 D HA 0.129 4.768 4.640 -0.001 0.000 0.251 450 D C 0.541 176.901 176.300 0.100 0.000 1.153 450 D CA -0.117 53.929 54.000 0.077 0.000 0.861 450 D CB 1.908 42.745 40.800 0.062 0.000 1.207 450 D HN 0.053 nan 8.370 nan 0.000 0.543 451 S N 3.522 119.267 115.700 0.074 0.000 2.469 451 S HA -0.133 4.336 4.470 -0.001 0.000 0.238 451 S C 1.454 176.101 174.600 0.079 0.000 0.998 451 S CA 0.519 58.762 58.200 0.071 0.000 0.957 451 S CB -0.092 63.127 63.200 0.030 0.000 0.764 451 S HN 0.508 nan 8.310 nan 0.000 0.514 452 R N -0.107 120.436 120.500 0.070 0.000 2.316 452 R HA 0.178 4.517 4.340 -0.001 0.000 0.202 452 R C 1.052 177.407 176.300 0.091 0.000 1.029 452 R CA 0.816 56.955 56.100 0.065 0.000 1.018 452 R CB -0.543 29.783 30.300 0.043 0.000 0.888 452 R HN 0.463 nan 8.270 nan 0.000 0.471 453 c N 0.777 119.457 118.600 0.133 0.000 2.673 453 c HA 0.364 4.934 4.570 -0.001 0.000 0.274 453 c C 1.231 175.516 174.090 0.325 0.000 1.276 453 c CA -1.088 55.358 56.329 0.195 0.000 1.701 453 c CB -1.195 41.433 42.510 0.196 0.000 1.836 453 c HN 0.406 nan 8.230 nan 0.000 0.596 454 A N 0.529 123.497 122.820 0.247 0.000 2.520 454 A HA 0.268 4.587 4.320 -0.001 0.000 0.235 454 A C -0.061 177.738 177.584 0.358 0.000 1.065 454 A CA 0.076 52.261 52.037 0.246 0.000 0.764 454 A CB 0.105 19.180 19.000 0.124 0.000 1.002 454 A HN 0.588 nan 8.150 nan 0.000 0.502 455 W N 1.737 123.152 121.300 0.192 0.000 2.314 455 W HA 0.195 4.855 4.660 -0.001 0.000 0.339 455 W C 0.589 177.158 176.519 0.083 0.000 1.293 455 W CA -0.504 56.918 57.345 0.128 0.000 1.288 455 W CB -0.674 28.889 29.460 0.171 0.000 1.186 455 W HN 0.622 nan 8.180 nan 0.000 0.566 456 S N 3.283 119.107 115.700 0.208 0.000 2.576 456 S HA 0.398 4.868 4.470 -0.001 0.000 0.276 456 S C 0.372 175.155 174.600 0.305 0.000 1.339 456 S CA -0.615 57.647 58.200 0.104 0.000 1.039 456 S CB 0.748 63.778 63.200 -0.284 0.000 0.902 456 S HN 0.237 nan 8.310 nan 0.000 0.516 457 R N 1.494 122.141 120.500 0.244 0.000 2.428 457 R HA 0.516 4.855 4.340 -0.001 0.000 0.294 457 R C -0.870 175.578 176.300 0.247 0.000 1.000 457 R CA -0.541 55.700 56.100 0.235 0.000 0.960 457 R CB 0.841 31.233 30.300 0.152 0.000 1.076 457 R HN 0.534 nan 8.270 nan 0.000 0.475 458 D N 2.665 123.177 120.400 0.186 0.000 2.891 458 D HA 0.168 4.807 4.640 -0.001 0.000 0.224 458 D C -2.155 174.178 176.300 0.054 0.000 1.321 458 D CA -1.775 52.297 54.000 0.119 0.000 0.929 458 D CB 2.212 43.052 40.800 0.067 0.000 1.551 458 D HN 0.139 nan 8.370 nan 0.000 0.574 459 P HA -0.035 nan 4.420 nan 0.000 0.221 459 P C 0.961 178.265 177.300 0.007 0.000 1.145 459 P CA 0.894 64.010 63.100 0.028 0.000 0.795 459 P CB 0.319 32.035 31.700 0.026 0.000 0.775 460 A N -0.708 122.106 122.820 -0.010 0.000 2.119 460 A HA 0.289 4.608 4.320 -0.001 0.000 0.216 460 A C 1.330 178.886 177.584 -0.045 0.000 1.152 460 A CA 0.547 52.566 52.037 -0.030 0.000 0.708 460 A CB -0.947 18.027 19.000 -0.042 0.000 0.805 460 A HN 0.253 nan 8.150 nan 0.000 0.460 461 A N -0.723 122.067 122.820 -0.049 0.000 2.425 461 A HA 0.558 4.878 4.320 -0.001 0.000 0.249 461 A C 1.408 178.985 177.584 -0.012 0.000 1.084 461 A CA 0.242 52.250 52.037 -0.049 0.000 0.781 461 A CB 0.257 19.227 19.000 -0.050 0.000 1.019 461 A HN 1.034 nan 8.150 nan 0.000 0.490 462 A N 1.016 123.828 122.820 -0.013 0.000 2.066 462 A HA 0.094 4.414 4.320 -0.001 0.000 0.218 462 A C 1.012 178.611 177.584 0.026 0.000 1.157 462 A CA 1.593 53.630 52.037 0.000 0.000 0.670 462 A CB -0.146 18.846 19.000 -0.012 0.000 0.804 462 A HN 0.866 nan 8.150 nan 0.000 0.453 463 Q N -1.067 118.760 119.800 0.045 0.000 2.331 463 Q HA 0.581 4.921 4.340 -0.001 0.000 0.272 463 Q C -0.926 175.142 176.000 0.113 0.000 1.062 463 Q CA -0.627 55.223 55.803 0.079 0.000 0.806 463 Q CB 1.909 30.704 28.738 0.094 0.000 1.312 463 Q HN 0.329 nan 8.270 nan 0.000 0.431 464 A N 1.740 124.635 122.820 0.124 0.000 2.548 464 A HA 0.422 4.742 4.320 -0.001 0.000 0.247 464 A C 1.161 178.895 177.584 0.251 0.000 1.067 464 A CA 1.201 53.332 52.037 0.157 0.000 0.757 464 A CB -0.789 18.286 19.000 0.125 0.000 0.996 464 A HN 1.485 nan 8.150 nan 0.000 0.504 465 G N 1.340 110.319 108.800 0.297 0.000 2.176 465 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.253 465 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.253 465 G C 0.308 175.429 174.900 0.368 0.000 0.979 465 G CA 0.485 45.864 45.100 0.464 0.000 0.641 465 G HN 1.947 nan 8.290 nan 0.000 0.530 466 I N -1.230 119.466 120.570 0.209 0.000 2.783 466 I HA 0.789 4.959 4.170 -0.001 0.000 0.312 466 I C 0.371 176.471 176.117 -0.030 0.000 0.988 466 I CA -0.809 60.534 61.300 0.071 0.000 1.182 466 I CB 1.454 39.489 38.000 0.058 0.000 1.368 466 I HN -0.041 nan 8.210 nan 0.000 0.511 467 T N 4.696 119.192 114.554 -0.096 0.000 2.814 467 T HA 0.278 4.628 4.350 -0.001 0.000 0.297 467 T C -2.334 172.204 174.700 -0.270 0.000 0.956 467 T CA -0.590 61.339 62.100 -0.284 0.000 1.123 467 T CB 0.322 69.125 68.868 -0.109 0.000 0.902 467 T HN 0.489 nan 8.240 nan 0.000 0.528 468 P HA 0.121 nan 4.420 nan 0.000 0.267 468 P C 0.538 177.757 177.300 -0.135 0.000 1.200 468 P CA -0.162 62.803 63.100 -0.225 0.000 0.772 468 P CB 0.398 31.950 31.700 -0.247 0.000 0.855 469 A N 3.758 126.524 122.820 -0.089 0.000 1.940 469 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 469 A C 2.103 179.670 177.584 -0.028 0.000 1.176 469 A CA 2.164 54.166 52.037 -0.059 0.000 0.631 469 A CB -1.615 17.350 19.000 -0.059 0.000 0.814 469 A HN 0.566 nan 8.150 nan 0.000 0.446 470 A N -1.143 121.660 122.820 -0.029 0.000 2.125 470 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 470 A C 1.905 179.518 177.584 0.049 0.000 1.156 470 A CA 1.470 53.510 52.037 0.005 0.000 0.671 470 A CB -0.343 18.651 19.000 -0.011 0.000 0.794 470 A HN 0.682 nan 8.150 nan 0.000 0.459 471 Q N -0.951 118.873 119.800 0.040 0.000 2.282 471 Q HA 0.359 4.699 4.340 -0.001 0.000 0.206 471 Q C -0.618 175.536 176.000 0.257 0.000 0.878 471 Q CA -0.167 55.709 55.803 0.123 0.000 0.944 471 Q CB 0.379 29.143 28.738 0.044 0.000 1.100 471 Q HN 0.547 nan 8.270 nan 0.000 0.509 472 L N 1.389 122.702 121.223 0.149 0.000 2.325 472 L HA 0.460 4.799 4.340 -0.001 0.000 0.278 472 L C -2.338 174.514 176.870 -0.030 0.000 1.023 472 L CA -2.441 52.417 54.840 0.030 0.000 0.811 472 L CB 1.203 43.239 42.059 -0.039 0.000 1.249 472 L HN -0.220 nan 8.230 nan 0.000 0.431 473 P HA 0.104 nan 4.420 nan 0.000 0.267 473 P C -1.087 176.196 177.300 -0.028 0.000 1.205 473 P CA 0.040 62.938 63.100 -0.337 0.000 0.765 473 P CB 0.829 32.208 31.700 -0.535 0.000 0.828 474 V N 4.690 124.668 119.914 0.107 0.000 2.760 474 V HA 0.472 4.591 4.120 -0.001 0.000 0.309 474 V C -0.675 175.524 176.094 0.175 0.000 1.077 474 V CA -0.615 61.745 62.300 0.100 0.000 0.910 474 V CB 2.259 34.107 31.823 0.042 0.000 1.008 474 V HN 0.279 nan 8.190 nan 0.000 0.424 475 L N 5.134 126.482 121.223 0.210 0.000 2.441 475 L HA 0.724 5.063 4.340 -0.001 0.000 0.270 475 L C -1.312 175.619 176.870 0.103 0.000 0.973 475 L CA -0.365 54.564 54.840 0.149 0.000 0.842 475 L CB 1.609 43.750 42.059 0.137 0.000 1.239 475 L HN 0.657 nan 8.230 nan 0.000 0.406 476 L N 5.697 126.953 121.223 0.054 0.000 2.298 476 L HA 0.700 5.040 4.340 -0.001 0.000 0.284 476 L C -0.638 176.236 176.870 0.006 0.000 1.013 476 L CA 0.146 55.005 54.840 0.032 0.000 0.824 476 L CB 0.873 42.944 42.059 0.020 0.000 1.221 476 L HN 0.700 nan 8.230 nan 0.000 0.418 477 R N 3.441 123.939 120.500 -0.003 0.000 2.869 477 R HA 0.586 4.925 4.340 -0.001 0.000 0.263 477 R C -0.026 176.264 176.300 -0.017 0.000 1.066 477 R CA -0.847 55.234 56.100 -0.033 0.000 0.960 477 R CB 1.838 32.083 30.300 -0.093 0.000 1.221 477 R HN 0.512 nan 8.270 nan 0.000 0.474 478 R N 0.226 120.712 120.500 -0.023 0.000 2.476 478 R HA 0.049 4.389 4.340 -0.001 0.000 0.276 478 R C 0.009 176.317 176.300 0.013 0.000 0.941 478 R CA 0.217 56.317 56.100 -0.000 0.000 1.088 478 R CB 0.456 30.755 30.300 -0.002 0.000 1.216 478 R HN 0.623 nan 8.270 nan 0.000 0.533 479 D N 0.945 121.338 120.400 -0.012 0.000 2.628 479 D HA 0.002 4.641 4.640 -0.001 0.000 0.258 479 D C 0.640 177.037 176.300 0.162 0.000 1.165 479 D CA 0.557 54.583 54.000 0.043 0.000 0.991 479 D CB -0.092 40.705 40.800 -0.005 0.000 1.104 479 D HN 0.082 nan 8.370 nan 0.000 0.438 480 F N -0.748 119.200 119.950 -0.004 0.000 2.741 480 F HA 0.616 5.143 4.527 -0.001 0.000 0.311 480 F C -1.665 174.137 175.800 0.004 0.000 1.149 480 F CA -1.633 56.368 58.000 0.001 0.000 0.930 480 F CB 1.441 40.432 39.000 -0.016 0.000 1.312 480 F HN 0.084 nan 8.300 nan 0.000 0.450 481 V N 0.452 120.508 119.914 0.236 0.000 2.925 481 V HA 0.925 5.045 4.120 -0.001 0.000 0.311 481 V C -1.437 174.839 176.094 0.304 0.000 1.104 481 V CA -0.700 61.699 62.300 0.165 0.000 0.954 481 V CB 1.307 33.199 31.823 0.116 0.000 1.022 481 V HN 1.298 nan 8.190 nan 0.000 0.427 482 Q N 1.967 121.904 119.800 0.229 0.000 2.456 482 Q HA 0.683 5.023 4.340 -0.001 0.000 0.283 482 Q C -1.322 174.738 176.000 0.101 0.000 1.084 482 Q CA -0.602 55.314 55.803 0.188 0.000 0.801 482 Q CB 2.178 31.025 28.738 0.183 0.000 1.434 482 Q HN 0.908 nan 8.270 nan 0.000 0.419 483 N N 0.268 119.052 118.700 0.139 0.000 2.371 483 N HA 0.348 5.087 4.740 -0.001 0.000 0.280 483 N C -1.429 174.162 175.510 0.135 0.000 1.084 483 N CA -0.346 52.781 53.050 0.128 0.000 0.892 483 N CB 2.051 40.659 38.487 0.203 0.000 1.653 483 N HN 0.611 nan 8.380 nan 0.000 0.480 484 S N 2.243 118.024 115.700 0.134 0.000 2.617 484 S HA 0.267 4.736 4.470 -0.001 0.000 0.237 484 S C 0.056 174.734 174.600 0.129 0.000 1.142 484 S CA -0.430 57.844 58.200 0.123 0.000 1.167 484 S CB -0.569 62.739 63.200 0.179 0.000 1.068 484 S HN 0.823 nan 8.310 nan 0.000 0.470 485 N N 1.013 119.797 118.700 0.140 0.000 2.948 485 N HA -0.140 4.600 4.740 -0.001 0.000 0.239 485 N C -0.633 174.968 175.510 0.151 0.000 0.954 485 N CA 1.012 54.155 53.050 0.154 0.000 0.941 485 N CB -0.766 37.808 38.487 0.146 0.000 1.101 485 N HN 0.457 nan 8.380 nan 0.000 0.579 486 D N 0.239 120.724 120.400 0.143 0.000 2.478 486 D HA 0.257 4.897 4.640 -0.001 0.000 0.269 486 D C 0.949 177.339 176.300 0.151 0.000 1.232 486 D CA 0.076 54.160 54.000 0.141 0.000 1.059 486 D CB 0.532 41.414 40.800 0.137 0.000 1.104 486 D HN 0.213 nan 8.370 nan 0.000 0.566 487 S N -0.864 114.931 115.700 0.158 0.000 2.626 487 S HA 0.263 4.732 4.470 -0.001 0.000 0.257 487 S C 1.226 175.912 174.600 0.143 0.000 1.288 487 S CA -0.049 58.245 58.200 0.158 0.000 0.980 487 S CB 0.922 64.214 63.200 0.154 0.000 0.975 487 S HN 0.500 nan 8.310 nan 0.000 0.577 488 A N -0.098 122.802 122.820 0.134 0.000 2.076 488 A HA -0.053 4.267 4.320 -0.001 0.000 0.220 488 A C 1.724 179.339 177.584 0.052 0.000 1.160 488 A CA 1.474 53.532 52.037 0.035 0.000 0.653 488 A CB -1.422 17.626 19.000 0.080 0.000 0.801 488 A HN 0.985 nan 8.150 nan 0.000 0.455 489 W N 0.424 121.713 121.300 -0.018 0.000 2.290 489 W HA -0.204 4.456 4.660 -0.001 0.000 0.328 489 W C 1.123 177.637 176.519 -0.008 0.000 1.272 489 W CA 2.068 59.429 57.345 0.026 0.000 1.262 489 W CB -0.565 28.932 29.460 0.063 0.000 1.151 489 W HN 0.221 nan 8.180 nan 0.000 0.473 490 L N 0.666 121.810 121.223 -0.131 0.000 2.928 490 L HA 0.108 4.448 4.340 -0.001 0.000 0.246 490 L C 1.762 178.519 176.870 -0.188 0.000 1.239 490 L CA 0.067 54.713 54.840 -0.324 0.000 1.035 490 L CB -0.537 41.252 42.059 -0.450 0.000 1.360 490 L HN -0.168 nan 8.230 nan 0.000 0.529 491 T N 0.122 114.542 114.554 -0.224 0.000 2.649 491 T HA -0.222 4.128 4.350 -0.001 0.000 0.268 491 T C 1.026 175.628 174.700 -0.164 0.000 1.036 491 T CA 1.649 63.572 62.100 -0.294 0.000 1.157 491 T CB -0.179 68.319 68.868 -0.617 0.000 0.861 491 T HN 0.300 nan 8.240 nan 0.000 0.445 492 N N -0.016 118.558 118.700 -0.210 0.000 2.533 492 N HA 0.235 4.974 4.740 -0.001 0.000 0.289 492 N C -2.778 172.604 175.510 -0.213 0.000 1.103 492 N CA -1.962 50.918 53.050 -0.283 0.000 0.877 492 N CB 2.111 40.250 38.487 -0.579 0.000 1.419 492 N HN -0.163 nan 8.380 nan 0.000 0.517 493 P HA -0.063 nan 4.420 nan 0.000 0.222 493 P C 0.842 178.067 177.300 -0.125 0.000 1.142 493 P CA 0.994 63.995 63.100 -0.166 0.000 0.788 493 P CB 0.316 31.942 31.700 -0.123 0.000 0.767 494 A N -1.466 121.278 122.820 -0.127 0.000 2.119 494 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 494 A C 1.592 179.128 177.584 -0.081 0.000 1.153 494 A CA 1.221 53.199 52.037 -0.098 0.000 0.692 494 A CB -0.508 18.424 19.000 -0.113 0.000 0.799 494 A HN 0.193 nan 8.150 nan 0.000 0.458 495 S N 0.400 116.044 115.700 -0.093 0.000 2.359 495 S HA 0.458 4.927 4.470 -0.001 0.000 0.148 495 S C -3.050 171.543 174.600 -0.011 0.000 1.610 495 S CA -1.428 56.746 58.200 -0.044 0.000 1.274 495 S CB 0.093 63.260 63.200 -0.054 0.000 1.380 495 S HN 0.074 nan 8.310 nan 0.000 0.380 496 P HA 0.145 nan 4.420 nan 0.000 0.266 496 P C -0.916 176.518 177.300 0.224 0.000 1.195 496 P CA -0.089 63.064 63.100 0.088 0.000 0.768 496 P CB 0.421 32.226 31.700 0.174 0.000 0.838 497 L N 3.761 125.180 121.223 0.327 0.000 2.262 497 L HA 0.336 4.675 4.340 -0.001 0.000 0.288 497 L C 0.618 177.813 176.870 0.543 0.000 1.035 497 L CA 0.006 55.102 54.840 0.428 0.000 0.820 497 L CB 0.243 42.510 42.059 0.346 0.000 1.204 497 L HN 0.359 nan 8.230 nan 0.000 0.424 498 Q N 1.384 121.423 119.800 0.398 0.000 2.495 498 Q HA 0.591 4.930 4.340 -0.001 0.000 0.287 498 Q C 0.484 176.447 176.000 -0.062 0.000 1.078 498 Q CA -0.519 55.404 55.803 0.200 0.000 0.793 498 Q CB 2.400 31.209 28.738 0.119 0.000 1.459 498 Q HN 0.715 nan 8.270 nan 0.000 0.422 499 G N 0.323 109.063 108.800 -0.100 0.000 2.132 499 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.234 499 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.234 499 G C -0.555 174.126 174.900 -0.365 0.000 0.989 499 G CA -0.184 44.773 45.100 -0.240 0.000 0.676 499 G HN 0.327 nan 8.290 nan 0.000 0.522 500 F N 0.840 120.793 119.950 0.005 0.000 2.380 500 F HA 0.722 5.249 4.527 -0.001 0.000 0.319 500 F C 1.282 177.079 175.800 -0.005 0.000 1.113 500 F CA -0.102 57.906 58.000 0.013 0.000 1.056 500 F CB 1.207 40.225 39.000 0.029 0.000 1.289 500 F HN 0.093 nan 8.300 nan 0.000 0.515 501 S N 2.542 118.366 115.700 0.207 0.000 2.563 501 S HA 0.060 4.530 4.470 -0.001 0.000 0.284 501 S C -1.372 173.263 174.600 0.058 0.000 1.331 501 S CA -1.112 57.144 58.200 0.093 0.000 1.047 501 S CB 0.572 63.819 63.200 0.079 0.000 0.859 501 S HN 0.379 nan 8.310 nan 0.000 0.514 502 P HA -0.088 nan 4.420 nan 0.000 0.219 502 P C 1.242 178.510 177.300 -0.053 0.000 1.146 502 P CA 1.098 64.184 63.100 -0.024 0.000 0.808 502 P CB -0.075 31.599 31.700 -0.044 0.000 0.779 503 L N -1.654 119.524 121.223 -0.075 0.000 2.465 503 L HA -0.060 4.279 4.340 -0.001 0.000 0.224 503 L C 2.285 179.082 176.870 -0.121 0.000 1.145 503 L CA 0.698 55.457 54.840 -0.136 0.000 0.834 503 L CB -0.364 41.590 42.059 -0.175 0.000 0.944 503 L HN -0.130 nan 8.230 nan 0.000 0.451 504 V N -2.961 116.925 119.914 -0.046 0.000 2.721 504 V HA 0.161 4.280 4.120 -0.001 0.000 0.236 504 V C 0.620 176.696 176.094 -0.030 0.000 1.116 504 V CA 0.422 62.699 62.300 -0.037 0.000 1.148 504 V CB 0.980 32.822 31.823 0.033 0.000 0.886 504 V HN 0.256 nan 8.190 nan 0.000 0.490 505 S N -0.574 115.140 115.700 0.022 0.000 2.562 505 S HA 0.533 5.003 4.470 -0.001 0.000 0.274 505 S C -1.501 173.138 174.600 0.064 0.000 1.160 505 S CA -0.562 57.659 58.200 0.035 0.000 0.933 505 S CB 1.580 64.766 63.200 -0.024 0.000 1.100 505 S HN 0.390 nan 8.310 nan 0.000 0.468 506 Q N 1.858 121.674 119.800 0.026 0.000 2.387 506 Q HA 0.395 4.735 4.340 -0.001 0.000 0.273 506 Q C -0.996 174.933 176.000 -0.119 0.000 1.089 506 Q CA -0.877 54.899 55.803 -0.045 0.000 0.824 506 Q CB 2.096 30.805 28.738 -0.049 0.000 1.367 506 Q HN 0.636 nan 8.270 nan 0.000 0.443 507 E N 2.260 122.238 120.200 -0.369 0.000 1.802 507 E HA 0.111 4.460 4.350 -0.001 0.000 0.265 507 E C -0.579 175.754 176.600 -0.446 0.000 1.168 507 E CA -0.011 55.863 56.400 -0.877 0.000 1.033 507 E CB 0.288 29.083 29.700 -1.509 0.000 1.095 507 E HN 0.010 nan 8.360 nan 0.000 0.436 508 K N 2.135 122.505 120.400 -0.051 0.000 2.221 508 K HA 0.444 4.764 4.320 -0.001 0.000 0.243 508 K C -2.461 174.157 176.600 0.029 0.000 0.968 508 K CA -2.577 53.679 56.287 -0.051 0.000 0.846 508 K CB 0.908 33.387 32.500 -0.035 0.000 1.141 508 K HN 0.111 nan 8.250 nan 0.000 0.434 509 P HA 0.062 nan 4.420 nan 0.000 0.266 509 P C -0.183 177.113 177.300 -0.007 0.000 1.195 509 P CA 0.000 62.834 63.100 -0.444 0.000 0.768 509 P CB 0.109 31.341 31.700 -0.781 0.000 0.838 510 I N -0.821 119.821 120.570 0.121 0.000 2.488 510 I HA 0.660 4.830 4.170 -0.001 0.000 0.299 510 I C 0.760 176.960 176.117 0.137 0.000 0.984 510 I CA -0.923 60.456 61.300 0.131 0.000 1.250 510 I CB 1.201 39.271 38.000 0.118 0.000 1.389 510 I HN 0.240 nan 8.210 nan 0.000 0.488 511 G N 3.397 112.285 108.800 0.147 0.000 2.634 511 G HA2 0.353 4.313 3.960 -0.001 0.000 0.255 511 G HA3 0.353 4.313 3.960 -0.001 0.000 0.255 511 G C -1.531 173.503 174.900 0.223 0.000 1.205 511 G CA -1.128 44.081 45.100 0.180 0.000 0.884 511 G HN 0.642 nan 8.290 nan 0.000 0.549 512 P HA -0.071 nan 4.420 nan 0.000 0.223 512 P C 1.517 179.016 177.300 0.331 0.000 1.151 512 P CA 0.754 64.103 63.100 0.414 0.000 0.787 512 P CB 0.289 32.290 31.700 0.501 0.000 0.788 513 R N 0.170 120.841 120.500 0.286 0.000 2.075 513 R HA -0.015 4.324 4.340 -0.001 0.000 0.232 513 R C 2.513 179.002 176.300 0.314 0.000 1.126 513 R CA 1.536 57.844 56.100 0.347 0.000 0.963 513 R CB -0.971 29.532 30.300 0.338 0.000 0.858 513 R HN 0.138 nan 8.270 nan 0.000 0.435 514 A N 1.219 124.165 122.820 0.211 0.000 1.930 514 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 514 A C 2.084 179.670 177.584 0.002 0.000 1.175 514 A CA 1.097 53.212 52.037 0.130 0.000 0.627 514 A CB -0.306 18.761 19.000 0.110 0.000 0.815 514 A HN 0.204 nan 8.150 nan 0.000 0.443 515 R N -2.032 118.466 120.500 -0.003 0.000 2.081 515 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 515 R C 2.166 178.156 176.300 -0.517 0.000 1.131 515 R CA 1.729 57.765 56.100 -0.106 0.000 0.960 515 R CB -0.588 29.807 30.300 0.159 0.000 0.856 515 R HN 0.708 nan 8.270 nan 0.000 0.436 516 Y N 1.332 121.065 120.300 -0.946 0.000 2.097 516 Y HA -0.271 4.279 4.550 -0.001 0.000 0.282 516 Y C 2.318 177.823 175.900 -0.657 0.000 1.152 516 Y CA 1.514 58.883 58.100 -1.218 0.000 1.136 516 Y CB -0.555 37.422 38.460 -0.805 0.000 0.975 516 Y HN 0.056 nan 8.280 nan 0.000 0.498 517 A N 0.650 123.151 122.820 -0.532 0.000 1.892 517 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 517 A C 2.346 179.614 177.584 -0.527 0.000 1.188 517 A CA 2.117 53.799 52.037 -0.592 0.000 0.631 517 A CB -1.295 17.575 19.000 -0.216 0.000 0.822 517 A HN 0.599 nan 8.150 nan 0.000 0.447 518 L N 0.373 121.380 121.223 -0.360 0.000 2.083 518 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 518 L C 3.058 179.736 176.870 -0.319 0.000 1.083 518 L CA 1.597 56.268 54.840 -0.281 0.000 0.752 518 L CB -0.572 41.407 42.059 -0.134 0.000 0.899 518 L HN 0.656 nan 8.230 nan 0.000 0.433 519 S N -0.160 115.314 115.700 -0.377 0.000 2.383 519 S HA -0.174 4.296 4.470 -0.001 0.000 0.229 519 S C 2.086 176.458 174.600 -0.381 0.000 1.030 519 S CA 0.738 58.748 58.200 -0.316 0.000 1.002 519 S CB -0.251 62.792 63.200 -0.262 0.000 0.829 519 S HN 0.331 nan 8.310 nan 0.000 0.467 520 R N 1.011 121.169 120.500 -0.570 0.000 2.153 520 R HA 0.346 4.686 4.340 -0.001 0.000 0.218 520 R C 2.135 178.180 176.300 -0.425 0.000 1.072 520 R CA 0.584 56.374 56.100 -0.518 0.000 0.990 520 R CB -1.075 28.818 30.300 -0.679 0.000 0.889 520 R HN 0.477 nan 8.270 nan 0.000 0.452 521 L N 0.461 121.390 121.223 -0.490 0.000 2.354 521 L HA 0.080 4.420 4.340 -0.001 0.000 0.212 521 L C 0.884 177.509 176.870 -0.409 0.000 1.091 521 L CA 0.349 54.835 54.840 -0.591 0.000 0.828 521 L CB -0.059 41.342 42.059 -1.097 0.000 0.973 521 L HN 0.055 nan 8.230 nan 0.000 0.461 522 Q N 0.344 119.993 119.800 -0.253 0.000 2.394 522 Q HA 0.442 4.782 4.340 -0.001 0.000 0.248 522 Q C 0.306 176.267 176.000 -0.065 0.000 0.992 522 Q CA 0.578 56.342 55.803 -0.064 0.000 0.888 522 Q CB 1.152 29.876 28.738 -0.023 0.000 1.257 522 Q HN 0.253 nan 8.270 nan 0.000 0.462 523 G N 0.556 109.349 108.800 -0.012 0.000 2.422 523 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.607 523 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.607 523 G C -0.531 174.368 174.900 -0.002 0.000 1.270 523 G CA -0.610 44.476 45.100 -0.023 0.000 0.992 523 G HN 0.540 nan 8.290 nan 0.000 0.499 524 K N -0.207 120.186 120.400 -0.012 0.000 2.438 524 K HA 0.166 4.486 4.320 -0.001 0.000 0.206 524 K C 0.426 177.019 176.600 -0.011 0.000 1.081 524 K CA -0.395 55.892 56.287 -0.001 0.000 1.053 524 K CB 0.631 33.130 32.500 -0.002 0.000 0.908 524 K HN 0.382 nan 8.250 nan 0.000 0.556 525 Q N 1.734 121.517 119.800 -0.029 0.000 2.392 525 Q HA 0.141 4.481 4.340 -0.001 0.000 0.262 525 Q C -2.414 173.566 176.000 -0.033 0.000 1.003 525 Q CA -1.917 53.865 55.803 -0.035 0.000 0.888 525 Q CB -0.134 28.574 28.738 -0.050 0.000 1.260 525 Q HN 0.016 nan 8.270 nan 0.000 0.435 526 P HA 0.086 nan 4.420 nan 0.000 0.268 526 P C -0.653 176.624 177.300 -0.039 0.000 1.205 526 P CA 0.099 63.184 63.100 -0.024 0.000 0.771 526 P CB 0.438 32.126 31.700 -0.020 0.000 0.858 527 L N 2.738 123.939 121.223 -0.036 0.000 2.282 527 L HA 0.369 4.709 4.340 -0.001 0.000 0.288 527 L C 0.861 177.706 176.870 -0.042 0.000 1.033 527 L CA -0.391 54.417 54.840 -0.053 0.000 0.807 527 L CB 0.864 42.886 42.059 -0.062 0.000 1.209 527 L HN 0.303 nan 8.230 nan 0.000 0.423 528 E N 1.240 121.408 120.200 -0.053 0.000 2.232 528 E HA 0.391 4.740 4.350 -0.001 0.000 0.265 528 E C 0.588 177.155 176.600 -0.056 0.000 1.001 528 E CA -0.414 55.956 56.400 -0.050 0.000 0.870 528 E CB 1.801 31.468 29.700 -0.054 0.000 1.175 528 E HN 0.693 nan 8.360 nan 0.000 0.407 529 A N 2.134 124.920 122.820 -0.056 0.000 1.884 529 A HA -0.299 4.021 4.320 -0.001 0.000 0.219 529 A C 1.997 179.538 177.584 -0.071 0.000 1.197 529 A CA 2.265 54.266 52.037 -0.059 0.000 0.637 529 A CB -0.509 18.449 19.000 -0.069 0.000 0.827 529 A HN 0.673 nan 8.150 nan 0.000 0.450 530 K N -0.965 119.381 120.400 -0.088 0.000 2.152 530 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 530 K C 1.909 178.438 176.600 -0.118 0.000 1.048 530 K CA 1.847 58.062 56.287 -0.119 0.000 0.933 530 K CB -0.370 32.064 32.500 -0.110 0.000 0.721 530 K HN 0.530 nan 8.250 nan 0.000 0.447 531 T N 2.013 116.509 114.554 -0.096 0.000 2.708 531 T HA -0.132 4.217 4.350 -0.001 0.000 0.266 531 T C 1.826 176.473 174.700 -0.088 0.000 1.037 531 T CA 1.451 63.491 62.100 -0.100 0.000 1.146 531 T CB -0.138 68.668 68.868 -0.103 0.000 0.865 531 T HN 0.184 nan 8.240 nan 0.000 0.435 532 L N 0.639 121.826 121.223 -0.059 0.000 2.109 532 L HA -0.025 4.315 4.340 -0.001 0.000 0.207 532 L C 2.825 179.723 176.870 0.046 0.000 1.086 532 L CA 1.339 56.178 54.840 -0.001 0.000 0.760 532 L CB -0.630 41.444 42.059 0.025 0.000 0.910 532 L HN 0.368 nan 8.230 nan 0.000 0.437 533 E N 1.022 121.197 120.200 -0.043 0.000 2.058 533 E HA -0.267 4.082 4.350 -0.001 0.000 0.194 533 E C 1.922 178.381 176.600 -0.235 0.000 0.997 533 E CA 1.613 57.868 56.400 -0.242 0.000 0.801 533 E CB 0.047 29.420 29.700 -0.545 0.000 0.746 533 E HN 0.486 nan 8.360 nan 0.000 0.450 534 E N -0.174 119.921 120.200 -0.175 0.000 2.204 534 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 534 E C 2.102 178.701 176.600 -0.003 0.000 0.989 534 E CA 0.913 57.240 56.400 -0.121 0.000 0.824 534 E CB -0.061 29.566 29.700 -0.122 0.000 0.756 534 E HN 0.414 nan 8.360 nan 0.000 0.477 535 M N 0.085 119.712 119.600 0.045 0.000 2.202 535 M HA -0.173 4.307 4.480 -0.001 0.000 0.262 535 M C 2.171 178.653 176.300 0.303 0.000 1.063 535 M CA 1.114 56.508 55.300 0.157 0.000 1.097 535 M CB -0.035 32.581 32.600 0.026 0.000 1.382 535 M HN 0.035 nan 8.290 nan 0.000 0.413 536 V N -0.380 119.734 119.914 0.332 0.000 2.331 536 V HA -0.166 3.954 4.120 -0.001 0.000 0.242 536 V C 2.494 178.732 176.094 0.240 0.000 1.034 536 V CA 2.187 64.732 62.300 0.407 0.000 1.027 536 V CB -1.077 31.093 31.823 0.578 0.000 0.667 536 V HN 0.579 nan 8.190 nan 0.000 0.457 537 T N -1.268 113.342 114.554 0.095 0.000 3.085 537 T HA 0.088 4.438 4.350 -0.001 0.000 0.263 537 T C 1.753 176.444 174.700 -0.016 0.000 1.127 537 T CA 0.977 63.076 62.100 -0.001 0.000 1.103 537 T CB -0.142 68.613 68.868 -0.188 0.000 0.921 537 T HN 0.393 nan 8.240 nan 0.000 0.510 538 A N 2.357 125.180 122.820 0.004 0.000 2.019 538 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 538 A C 1.355 178.935 177.584 -0.006 0.000 1.164 538 A CA 0.861 52.896 52.037 -0.003 0.000 0.644 538 A CB -0.678 18.336 19.000 0.023 0.000 0.805 538 A HN 0.600 nan 8.150 nan 0.000 0.449 539 N N -0.589 118.116 118.700 0.008 0.000 2.721 539 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 539 N C -0.151 175.286 175.510 -0.122 0.000 1.072 539 N CA 1.279 54.310 53.050 -0.032 0.000 0.710 539 N CB -1.891 36.582 38.487 -0.023 0.000 0.993 539 N HN 0.861 nan 8.380 nan 0.000 0.547 540 H N -0.178 118.759 119.070 -0.221 0.000 2.803 540 H HA 0.315 4.870 4.556 -0.001 0.000 0.330 540 H C -0.061 175.122 175.328 -0.241 0.000 1.057 540 H CA 0.060 55.953 56.048 -0.259 0.000 1.458 540 H CB 0.719 30.364 29.762 -0.196 0.000 1.470 540 H HN -0.040 nan 8.280 nan 0.000 0.560 541 V N 8.768 128.171 119.914 -0.852 0.000 2.267 541 V HA -0.047 4.073 4.120 -0.001 0.000 0.254 541 V C 0.981 176.797 176.094 -0.464 0.000 1.144 541 V CA -0.006 62.013 62.300 -0.468 0.000 0.992 541 V CB -0.966 30.640 31.823 -0.362 0.000 1.199 541 V HN 0.807 nan 8.190 nan 0.000 0.493 542 F N 3.048 122.858 119.950 -0.233 0.000 2.293 542 F HA -0.129 4.398 4.527 -0.001 0.000 0.300 542 F C 2.332 178.221 175.800 0.147 0.000 1.086 542 F CA 1.710 59.736 58.000 0.043 0.000 1.375 542 F CB 0.220 39.366 39.000 0.243 0.000 1.045 542 F HN 0.454 nan 8.300 nan 0.000 0.516 543 S N 0.150 116.007 115.700 0.261 0.000 2.419 543 S HA -0.164 4.306 4.470 -0.001 0.000 0.233 543 S C 2.331 177.120 174.600 0.316 0.000 1.016 543 S CA 0.816 59.243 58.200 0.378 0.000 0.974 543 S CB -0.655 62.946 63.200 0.667 0.000 0.786 543 S HN 0.511 nan 8.310 nan 0.000 0.492 544 A N 1.943 124.755 122.820 -0.013 0.000 1.940 544 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 544 A C 1.705 179.182 177.584 -0.179 0.000 1.176 544 A CA 1.807 53.663 52.037 -0.301 0.000 0.631 544 A CB -0.725 17.818 19.000 -0.762 0.000 0.814 544 A HN 0.377 nan 8.150 nan 0.000 0.446 545 D N -0.720 119.507 120.400 -0.287 0.000 2.221 545 D HA -0.143 4.497 4.640 -0.001 0.000 0.204 545 D C 2.027 178.229 176.300 -0.164 0.000 0.982 545 D CA 1.500 55.323 54.000 -0.296 0.000 0.857 545 D CB -0.171 40.243 40.800 -0.644 0.000 0.934 545 D HN 0.562 nan 8.370 nan 0.000 0.475 546 Q N -0.899 118.863 119.800 -0.063 0.000 2.269 546 Q HA 0.031 4.371 4.340 -0.001 0.000 0.201 546 Q C 1.925 178.063 176.000 0.230 0.000 0.946 546 Q CA 0.672 56.551 55.803 0.127 0.000 0.877 546 Q CB 0.648 29.556 28.738 0.285 0.000 0.963 546 Q HN 0.402 nan 8.270 nan 0.000 0.472 547 V N -4.347 115.672 119.914 0.177 0.000 3.408 547 V HA 0.167 4.286 4.120 -0.001 0.000 0.263 547 V C 1.519 177.640 176.094 0.046 0.000 1.503 547 V CA -0.103 62.258 62.300 0.102 0.000 1.046 547 V CB -0.233 31.570 31.823 -0.033 0.000 0.851 547 V HN 0.162 nan 8.190 nan 0.000 0.435 548 L N 1.666 122.923 121.223 0.056 0.000 2.042 548 L HA 0.111 4.451 4.340 -0.001 0.000 0.210 548 L C -0.106 176.747 176.870 -0.028 0.000 1.076 548 L CA 2.749 57.591 54.840 0.003 0.000 0.749 548 L CB -1.402 40.620 42.059 -0.061 0.000 0.893 548 L HN 0.262 nan 8.230 nan 0.000 0.432 549 P HA -0.139 nan 4.420 nan 0.000 0.215 549 P C 0.967 178.258 177.300 -0.015 0.000 1.153 549 P CA 1.625 64.713 63.100 -0.020 0.000 0.853 549 P CB -0.073 31.622 31.700 -0.008 0.000 0.788 550 D N -1.316 119.082 120.400 -0.002 0.000 2.183 550 D HA -0.070 4.570 4.640 -0.001 0.000 0.203 550 D C 1.863 178.139 176.300 -0.041 0.000 0.969 550 D CA 0.629 54.630 54.000 0.001 0.000 0.842 550 D CB -0.488 40.338 40.800 0.042 0.000 0.957 550 D HN 0.019 nan 8.370 nan 0.000 0.484 551 L N 0.893 122.061 121.223 -0.091 0.000 2.056 551 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 551 L C 2.279 179.074 176.870 -0.126 0.000 1.078 551 L CA 1.248 55.979 54.840 -0.181 0.000 0.749 551 L CB -0.652 41.225 42.059 -0.303 0.000 0.901 551 L HN -0.006 nan 8.230 nan 0.000 0.433 552 L N -0.829 120.345 121.223 -0.082 0.000 2.079 552 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 552 L C 3.054 179.896 176.870 -0.047 0.000 1.081 552 L CA 1.609 56.413 54.840 -0.061 0.000 0.752 552 L CB -0.974 41.059 42.059 -0.045 0.000 0.896 552 L HN 0.311 nan 8.230 nan 0.000 0.433 553 R N 0.541 121.020 120.500 -0.035 0.000 2.081 553 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 553 R C 2.072 178.359 176.300 -0.022 0.000 1.131 553 R CA 1.889 57.976 56.100 -0.021 0.000 0.960 553 R CB -1.564 28.732 30.300 -0.007 0.000 0.856 553 R HN 0.430 nan 8.270 nan 0.000 0.436 554 L N -0.195 121.010 121.223 -0.031 0.000 2.046 554 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 554 L C 2.621 179.469 176.870 -0.037 0.000 1.077 554 L CA 2.039 56.863 54.840 -0.027 0.000 0.747 554 L CB -0.450 41.589 42.059 -0.033 0.000 0.896 554 L HN 0.498 nan 8.230 nan 0.000 0.432 555 c N 0.039 118.604 118.600 -0.058 0.000 2.413 555 c HA -0.180 4.389 4.570 -0.001 0.000 0.277 555 c C 2.827 176.892 174.090 -0.041 0.000 1.228 555 c CA 1.200 57.493 56.329 -0.060 0.000 1.731 555 c CB -1.156 41.307 42.510 -0.077 0.000 2.042 555 c HN 0.512 nan 8.230 nan 0.000 0.468 556 R N 0.519 120.998 120.500 -0.035 0.000 2.096 556 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 556 R C 1.510 177.799 176.300 -0.018 0.000 1.127 556 R CA 1.447 57.532 56.100 -0.025 0.000 0.968 556 R CB -0.484 29.803 30.300 -0.022 0.000 0.861 556 R HN 0.535 nan 8.270 nan 0.000 0.440 557 D N 0.145 120.537 120.400 -0.015 0.000 2.351 557 D HA -0.074 4.566 4.640 -0.001 0.000 0.216 557 D C 0.590 176.885 176.300 -0.008 0.000 0.968 557 D CA 0.965 54.961 54.000 -0.008 0.000 0.899 557 D CB -0.035 40.764 40.800 -0.002 0.000 0.907 557 D HN 0.192 nan 8.370 nan 0.000 0.514 558 N N -0.061 118.631 118.700 -0.014 0.000 2.299 558 N HA 0.019 4.759 4.740 -0.001 0.000 0.246 558 N C 0.281 175.781 175.510 -0.017 0.000 1.254 558 N CA 0.033 53.075 53.050 -0.013 0.000 0.879 558 N CB 0.617 39.096 38.487 -0.013 0.000 1.214 558 N HN 0.193 nan 8.380 nan 0.000 0.510 559 Q N 0.157 119.947 119.800 -0.018 0.000 2.333 559 Q HA 0.354 4.694 4.340 -0.001 0.000 0.299 559 Q C 1.287 177.278 176.000 -0.015 0.000 1.067 559 Q CA 0.800 56.592 55.803 -0.019 0.000 0.943 559 Q CB -0.438 28.290 28.738 -0.017 0.000 1.233 559 Q HN 0.512 nan 8.270 nan 0.000 0.401 560 G N 0.461 109.251 108.800 -0.016 0.000 2.148 560 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.254 560 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.254 560 G C 0.166 175.060 174.900 -0.011 0.000 0.981 560 G CA 0.537 45.630 45.100 -0.013 0.000 0.670 560 G HN 1.225 nan 8.290 nan 0.000 0.528 561 E N 0.488 120.680 120.200 -0.013 0.000 2.044 561 E HA 0.659 5.009 4.350 -0.001 0.000 0.282 561 E C 1.531 178.124 176.600 -0.012 0.000 1.031 561 E CA 0.845 57.239 56.400 -0.010 0.000 0.824 561 E CB 0.539 30.233 29.700 -0.010 0.000 1.076 561 E HN 0.479 nan 8.360 nan 0.000 0.395 562 K N 2.642 123.037 120.400 -0.007 0.000 2.044 562 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 562 K C 1.945 178.542 176.600 -0.005 0.000 1.049 562 K CA 2.259 58.542 56.287 -0.006 0.000 0.927 562 K CB -1.409 31.090 32.500 -0.002 0.000 0.713 562 K HN 0.673 nan 8.250 nan 0.000 0.443 563 S N 0.134 115.834 115.700 -0.000 0.000 2.469 563 S HA 0.021 4.490 4.470 -0.001 0.000 0.238 563 S C 1.808 176.409 174.600 0.002 0.000 0.998 563 S CA 1.319 59.523 58.200 0.007 0.000 0.957 563 S CB -0.206 63.001 63.200 0.012 0.000 0.764 563 S HN 0.471 nan 8.310 nan 0.000 0.514 564 L N -0.013 121.199 121.223 -0.017 0.000 2.664 564 L HA 0.424 4.764 4.340 -0.001 0.000 0.233 564 L C 2.700 179.522 176.870 -0.080 0.000 1.113 564 L CA 0.461 55.274 54.840 -0.044 0.000 0.896 564 L CB -0.402 41.634 42.059 -0.039 0.000 1.163 564 L HN 0.356 nan 8.230 nan 0.000 0.497 565 A N 1.122 123.906 122.820 -0.059 0.000 1.883 565 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 565 A C 2.390 179.912 177.584 -0.104 0.000 1.186 565 A CA 1.621 53.617 52.037 -0.067 0.000 0.624 565 A CB -0.335 18.641 19.000 -0.039 0.000 0.822 565 A HN 0.334 nan 8.150 nan 0.000 0.444 566 R N -0.670 119.766 120.500 -0.106 0.000 2.073 566 R HA 0.010 4.350 4.340 -0.001 0.000 0.229 566 R C 2.550 178.610 176.300 -0.400 0.000 1.120 566 R CA 1.063 57.081 56.100 -0.138 0.000 0.967 566 R CB -0.519 29.773 30.300 -0.012 0.000 0.862 566 R HN 0.503 nan 8.270 nan 0.000 0.436 567 A N 1.098 123.561 122.820 -0.596 0.000 1.865 567 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 567 A C 2.450 179.693 177.584 -0.569 0.000 1.191 567 A CA 1.704 53.112 52.037 -1.047 0.000 0.623 567 A CB -1.021 17.646 19.000 -0.556 0.000 0.826 567 A HN 0.461 nan 8.150 nan 0.000 0.444 568 c N -1.134 117.280 118.600 -0.311 0.000 2.429 568 c HA 0.079 4.649 4.570 -0.001 0.000 0.277 568 c C 3.334 177.333 174.090 -0.153 0.000 1.262 568 c CA 0.741 56.954 56.329 -0.193 0.000 1.733 568 c CB -1.418 41.015 42.510 -0.129 0.000 2.010 568 c HN 0.704 nan 8.230 nan 0.000 0.483 569 A N 0.573 123.303 122.820 -0.150 0.000 1.898 569 A HA 0.099 4.419 4.320 -0.001 0.000 0.216 569 A C 2.381 179.915 177.584 -0.083 0.000 1.181 569 A CA 1.994 53.975 52.037 -0.093 0.000 0.620 569 A CB -0.946 18.012 19.000 -0.070 0.000 0.819 569 A HN 0.556 nan 8.150 nan 0.000 0.442 570 A N -0.211 122.516 122.820 -0.154 0.000 1.908 570 A HA -0.074 4.246 4.320 -0.001 0.000 0.218 570 A C 2.181 179.755 177.584 -0.016 0.000 1.181 570 A CA 1.587 53.572 52.037 -0.086 0.000 0.627 570 A CB -0.639 18.279 19.000 -0.137 0.000 0.818 570 A HN 0.473 nan 8.150 nan 0.000 0.445 571 L N -0.856 120.321 121.223 -0.077 0.000 2.046 571 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 571 L C 3.068 180.004 176.870 0.110 0.000 1.077 571 L CA 1.106 55.979 54.840 0.055 0.000 0.747 571 L CB -0.501 41.544 42.059 -0.023 0.000 0.896 571 L HN 0.421 nan 8.230 nan 0.000 0.432 572 A N -0.738 122.097 122.820 0.025 0.000 1.972 572 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 572 A C 2.184 179.792 177.584 0.040 0.000 1.169 572 A CA 1.419 53.466 52.037 0.017 0.000 0.635 572 A CB -0.348 18.643 19.000 -0.015 0.000 0.810 572 A HN 0.492 nan 8.150 nan 0.000 0.446 573 Q N -2.411 117.429 119.800 0.067 0.000 2.389 573 Q HA -0.036 4.304 4.340 -0.001 0.000 0.204 573 Q C 0.274 176.360 176.000 0.143 0.000 0.944 573 Q CA -0.169 55.681 55.803 0.078 0.000 0.908 573 Q CB 0.066 28.845 28.738 0.068 0.000 1.002 573 Q HN 0.755 nan 8.270 nan 0.000 0.493 574 W N 3.160 124.434 121.300 -0.043 0.000 2.216 574 W HA -0.011 4.649 4.660 -0.000 0.000 0.326 574 W C 0.409 176.883 176.519 -0.076 0.000 1.319 574 W CA -0.531 56.784 57.345 -0.050 0.000 1.213 574 W CB 0.636 30.060 29.460 -0.060 0.000 1.171 574 W HN 0.141 nan 8.180 nan 0.000 0.557 575 D N 4.059 124.327 120.400 -0.219 0.000 2.363 575 D HA -0.110 4.530 4.640 -0.001 0.000 0.226 575 D C 0.620 176.435 176.300 -0.807 0.000 1.020 575 D CA 0.198 53.968 54.000 -0.384 0.000 0.892 575 D CB -0.246 40.453 40.800 -0.167 0.000 0.900 575 D HN 0.682 nan 8.370 nan 0.000 0.531 576 R N -1.754 117.603 120.500 -1.906 0.000 3.878 576 R HA -0.088 4.252 4.340 -0.001 0.000 0.330 576 R C 0.585 176.084 176.300 -1.336 0.000 1.186 576 R CA 0.703 55.499 56.100 -2.173 0.000 0.885 576 R CB -2.053 27.604 30.300 -1.071 0.000 1.377 576 R HN 0.416 nan 8.270 nan 0.000 0.523 577 G N -1.163 107.099 108.800 -0.896 0.000 2.600 577 G HA2 0.719 4.679 3.960 -0.001 0.000 0.303 577 G HA3 0.719 4.679 3.960 -0.001 0.000 0.303 577 G C -0.408 174.235 174.900 -0.429 0.000 1.253 577 G CA -0.084 44.750 45.100 -0.444 0.000 0.974 577 G HN 0.202 nan 8.290 nan 0.000 0.483 578 A N 0.799 123.317 122.820 -0.502 0.000 2.911 578 A HA 0.408 4.728 4.320 -0.001 0.000 0.304 578 A C 0.475 178.076 177.584 0.028 0.000 1.144 578 A CA -0.648 51.033 52.037 -0.594 0.000 0.988 578 A CB -0.499 18.126 19.000 -0.625 0.000 1.141 578 A HN 0.480 nan 8.150 nan 0.000 0.552 579 N N 0.046 118.791 118.700 0.074 0.000 2.424 579 N HA 0.236 4.975 4.740 -0.001 0.000 0.257 579 N C 1.293 176.982 175.510 0.299 0.000 1.250 579 N CA -0.389 52.755 53.050 0.156 0.000 0.946 579 N CB 0.792 39.323 38.487 0.072 0.000 1.175 579 N HN 0.291 nan 8.380 nan 0.000 0.477 580 L N 0.247 121.593 121.223 0.206 0.000 2.043 580 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 580 L C 1.049 178.033 176.870 0.189 0.000 1.075 580 L CA 1.421 56.367 54.840 0.178 0.000 0.752 580 L CB -0.264 41.848 42.059 0.087 0.000 0.891 580 L HN 0.438 nan 8.230 nan 0.000 0.432 581 D N -0.588 119.904 120.400 0.152 0.000 2.349 581 D HA 0.018 4.658 4.640 -0.001 0.000 0.215 581 D C 0.800 177.205 176.300 0.175 0.000 1.016 581 D CA 0.209 54.290 54.000 0.136 0.000 0.870 581 D CB 0.175 41.026 40.800 0.086 0.000 0.917 581 D HN 0.106 nan 8.370 nan 0.000 0.524 582 S N 0.592 116.429 115.700 0.229 0.000 2.558 582 S HA 0.287 4.757 4.470 -0.001 0.000 0.293 582 S C 0.906 175.685 174.600 0.298 0.000 1.292 582 S CA -0.222 58.146 58.200 0.281 0.000 1.063 582 S CB 1.130 64.505 63.200 0.291 0.000 0.831 582 S HN 0.235 nan 8.310 nan 0.000 0.499 583 G N 1.348 110.323 108.800 0.291 0.000 2.616 583 G HA2 0.285 4.244 3.960 -0.001 0.000 0.268 583 G HA3 0.285 4.244 3.960 -0.001 0.000 0.268 583 G C 1.076 176.042 174.900 0.111 0.000 1.213 583 G CA -0.151 45.067 45.100 0.197 0.000 0.926 583 G HN 0.803 nan 8.290 nan 0.000 0.523 584 S N -0.933 114.826 115.700 0.098 0.000 2.500 584 S HA -0.058 4.412 4.470 -0.001 0.000 0.239 584 S C 2.347 176.955 174.600 0.013 0.000 0.989 584 S CA 1.263 59.504 58.200 0.067 0.000 0.951 584 S CB -0.522 62.753 63.200 0.124 0.000 0.759 584 S HN 0.968 nan 8.310 nan 0.000 0.523 585 G N 1.218 109.955 108.800 -0.106 0.000 2.503 585 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.221 585 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.221 585 G C 1.062 175.350 174.900 -1.021 0.000 1.131 585 G CA 1.006 45.885 45.100 -0.368 0.000 0.756 585 G HN 0.539 nan 8.290 nan 0.000 0.572 586 F N 1.415 120.364 119.950 -1.667 0.000 2.126 586 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 586 F C 2.698 178.051 175.800 -0.744 0.000 1.096 586 F CA 1.085 58.211 58.000 -1.458 0.000 1.255 586 F CB -0.624 37.826 39.000 -0.918 0.000 0.997 586 F HN 0.040 nan 8.300 nan 0.000 0.479 587 V N -0.751 118.849 119.914 -0.523 0.000 2.307 587 V HA -0.314 3.806 4.120 -0.001 0.000 0.245 587 V C 2.202 178.056 176.094 -0.400 0.000 1.045 587 V CA 1.935 63.945 62.300 -0.484 0.000 1.024 587 V CB -1.064 30.585 31.823 -0.289 0.000 0.651 587 V HN 0.302 nan 8.190 nan 0.000 0.449 588 Y N -0.781 119.350 120.300 -0.281 0.000 2.165 588 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 588 Y C 2.279 178.075 175.900 -0.173 0.000 1.155 588 Y CA 2.270 60.258 58.100 -0.187 0.000 1.164 588 Y CB -0.710 37.661 38.460 -0.148 0.000 0.978 588 Y HN 0.273 nan 8.280 nan 0.000 0.513 589 F N 0.954 120.751 119.950 -0.254 0.000 2.102 589 F HA -0.281 4.246 4.527 -0.001 0.000 0.298 589 F C 2.231 177.876 175.800 -0.259 0.000 1.105 589 F CA 1.821 59.680 58.000 -0.234 0.000 1.239 589 F CB -0.605 38.166 39.000 -0.382 0.000 0.991 589 F HN 0.060 nan 8.300 nan 0.000 0.474 590 Q N -0.199 119.233 119.800 -0.613 0.000 2.061 590 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 590 Q C 2.272 178.028 176.000 -0.407 0.000 0.984 590 Q CA 1.642 56.889 55.803 -0.927 0.000 0.846 590 Q CB -0.260 27.831 28.738 -1.078 0.000 0.902 590 Q HN 0.267 nan 8.270 nan 0.000 0.421 591 R N 0.009 120.349 120.500 -0.267 0.000 2.092 591 R HA -0.101 4.239 4.340 -0.001 0.000 0.231 591 R C 2.005 178.255 176.300 -0.085 0.000 1.119 591 R CA 0.938 56.958 56.100 -0.133 0.000 0.970 591 R CB -0.876 29.354 30.300 -0.117 0.000 0.864 591 R HN 0.309 nan 8.270 nan 0.000 0.440 592 F N 1.264 121.095 119.950 -0.198 0.000 2.102 592 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 592 F C 2.122 177.820 175.800 -0.171 0.000 1.105 592 F CA 1.429 59.330 58.000 -0.165 0.000 1.239 592 F CB -0.129 38.761 39.000 -0.182 0.000 0.991 592 F HN -0.163 nan 8.300 nan 0.000 0.474 593 M N 0.288 119.692 119.600 -0.327 0.000 2.213 593 M HA -0.212 4.267 4.480 -0.001 0.000 0.263 593 M C 2.089 178.327 176.300 -0.104 0.000 1.062 593 M CA 1.528 56.666 55.300 -0.271 0.000 1.105 593 M CB -1.350 31.119 32.600 -0.218 0.000 1.385 593 M HN 0.362 nan 8.290 nan 0.000 0.417 594 Q N -0.759 119.006 119.800 -0.059 0.000 2.224 594 Q HA -0.128 4.212 4.340 -0.001 0.000 0.203 594 Q C 2.082 178.006 176.000 -0.127 0.000 0.970 594 Q CA 1.095 56.873 55.803 -0.043 0.000 0.865 594 Q CB -0.010 28.723 28.738 -0.009 0.000 0.922 594 Q HN 0.506 nan 8.270 nan 0.000 0.445 595 R N -0.807 119.566 120.500 -0.212 0.000 2.112 595 R HA -0.006 4.333 4.340 -0.001 0.000 0.216 595 R C 1.871 177.989 176.300 -0.302 0.000 1.080 595 R CA 0.597 56.555 56.100 -0.238 0.000 0.996 595 R CB -0.133 30.031 30.300 -0.226 0.000 0.902 595 R HN 0.157 nan 8.270 nan 0.000 0.449 596 F N 1.749 121.315 119.950 -0.641 0.000 2.171 596 F HA -0.129 4.397 4.527 -0.001 0.000 0.300 596 F C 2.078 177.643 175.800 -0.391 0.000 1.090 596 F CA 1.306 58.930 58.000 -0.627 0.000 1.293 596 F CB -0.168 38.316 39.000 -0.861 0.000 1.013 596 F HN -0.012 nan 8.300 nan 0.000 0.486 597 A N -0.341 122.364 122.820 -0.192 0.000 2.178 597 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 597 A C 1.884 179.347 177.584 -0.201 0.000 1.157 597 A CA 1.772 53.716 52.037 -0.155 0.000 0.689 597 A CB -0.719 18.251 19.000 -0.049 0.000 0.787 597 A HN 0.616 nan 8.150 nan 0.000 0.465 598 E N -0.832 119.227 120.200 -0.234 0.000 2.481 598 E HA 0.237 4.587 4.350 -0.001 0.000 0.198 598 E C -0.414 176.055 176.600 -0.219 0.000 1.027 598 E CA -0.343 55.945 56.400 -0.188 0.000 0.900 598 E CB 0.217 29.828 29.700 -0.148 0.000 0.993 598 E HN 0.528 nan 8.360 nan 0.000 0.482 599 L N 1.821 122.840 121.223 -0.340 0.000 2.326 599 L HA 0.239 4.579 4.340 -0.001 0.000 0.278 599 L C 0.051 176.738 176.870 -0.304 0.000 1.092 599 L CA -0.592 54.046 54.840 -0.337 0.000 0.810 599 L CB 0.752 42.535 42.059 -0.461 0.000 1.153 599 L HN -0.112 nan 8.230 nan 0.000 0.439 600 D N 2.043 122.329 120.400 -0.190 0.000 2.277 600 D HA 0.251 4.890 4.640 -0.001 0.000 0.249 600 D C 0.914 177.148 176.300 -0.109 0.000 1.134 600 D CA 0.480 54.406 54.000 -0.122 0.000 0.863 600 D CB 1.703 42.462 40.800 -0.067 0.000 1.143 600 D HN 0.796 nan 8.370 nan 0.000 0.458 601 G N 2.301 111.063 108.800 -0.063 0.000 2.305 601 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.287 601 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.287 601 G C 0.919 175.807 174.900 -0.021 0.000 1.036 601 G CA 0.518 45.620 45.100 0.003 0.000 0.887 601 G HN 0.622 nan 8.290 nan 0.000 0.505 602 A N -1.201 121.521 122.820 -0.163 0.000 2.147 602 A HA 0.434 4.753 4.320 -0.001 0.000 0.211 602 A C 0.999 178.600 177.584 0.029 0.000 1.160 602 A CA 0.121 52.057 52.037 -0.169 0.000 0.781 602 A CB -0.024 18.688 19.000 -0.481 0.000 0.842 602 A HN 0.595 nan 8.150 nan 0.000 0.475 603 W N 1.036 122.407 121.300 0.118 0.000 2.251 603 W HA 0.187 4.847 4.660 -0.001 0.000 0.327 603 W C 1.490 178.105 176.519 0.161 0.000 1.361 603 W CA -0.253 57.225 57.345 0.221 0.000 1.234 603 W CB 0.768 30.343 29.460 0.190 0.000 1.212 603 W HN 0.185 nan 8.180 nan 0.000 0.557 604 K N 1.729 122.405 120.400 0.460 0.000 2.002 604 K HA -0.157 4.162 4.320 -0.001 0.000 0.209 604 K C -0.208 176.528 176.600 0.227 0.000 1.048 604 K CA 1.307 57.760 56.287 0.277 0.000 0.930 604 K CB 0.096 32.732 32.500 0.227 0.000 0.714 604 K HN 0.483 nan 8.250 nan 0.000 0.438 605 E N 1.972 122.308 120.200 0.227 0.000 2.141 605 E HA 0.240 4.590 4.350 -0.001 0.000 0.259 605 E C -2.439 174.219 176.600 0.097 0.000 0.883 605 E CA -2.421 54.055 56.400 0.126 0.000 0.744 605 E CB 1.779 31.518 29.700 0.065 0.000 1.150 605 E HN 0.228 nan 8.360 nan 0.000 0.420 606 P HA -0.092 nan 4.420 nan 0.000 0.272 606 P C -0.102 177.217 177.300 0.032 0.000 1.254 606 P CA -0.410 62.749 63.100 0.098 0.000 0.795 606 P CB 0.499 32.294 31.700 0.158 0.000 1.022 607 F N 1.279 121.183 119.950 -0.076 0.000 2.604 607 F HA 0.008 4.534 4.527 -0.001 0.000 0.393 607 F C 0.304 176.116 175.800 0.020 0.000 1.043 607 F CA 0.535 58.514 58.000 -0.035 0.000 1.227 607 F CB -0.360 38.644 39.000 0.008 0.000 1.016 607 F HN 0.102 nan 8.300 nan 0.000 0.556 608 D N 5.220 125.170 120.400 -0.751 0.000 2.481 608 D HA 0.392 5.032 4.640 -0.001 0.000 0.246 608 D C 0.539 176.296 176.300 -0.905 0.000 1.109 608 D CA -0.015 53.618 54.000 -0.612 0.000 0.845 608 D CB 1.769 42.409 40.800 -0.267 0.000 1.160 608 D HN 0.682 nan 8.370 nan 0.000 0.534 609 A N 3.158 125.515 122.820 -0.773 0.000 2.019 609 A HA -0.107 4.213 4.320 -0.001 0.000 0.219 609 A C 1.888 179.468 177.584 -0.007 0.000 1.164 609 A CA 2.260 54.105 52.037 -0.320 0.000 0.644 609 A CB -0.578 18.424 19.000 0.002 0.000 0.805 609 A HN 0.635 nan 8.150 nan 0.000 0.449 610 Q N -0.481 119.272 119.800 -0.078 0.000 2.425 610 Q HA 0.170 4.509 4.340 -0.001 0.000 0.204 610 Q C 1.260 177.232 176.000 -0.047 0.000 0.933 610 Q CA 0.733 56.526 55.803 -0.016 0.000 0.939 610 Q CB -0.414 28.314 28.738 -0.016 0.000 1.044 610 Q HN 0.756 nan 8.270 nan 0.000 0.513 611 R N 0.419 120.856 120.500 -0.105 0.000 2.795 611 R HA 0.166 4.505 4.340 -0.001 0.000 0.320 611 R C -2.082 174.173 176.300 -0.075 0.000 1.223 611 R CA -1.199 54.852 56.100 -0.081 0.000 1.305 611 R CB 1.256 31.513 30.300 -0.072 0.000 1.318 611 R HN 0.249 nan 8.270 nan 0.000 0.636 612 P HA -0.116 nan 4.420 nan 0.000 0.226 612 P C 1.013 178.362 177.300 0.083 0.000 1.153 612 P CA 0.911 64.073 63.100 0.102 0.000 0.777 612 P CB 0.369 32.101 31.700 0.054 0.000 0.794 613 L N -0.389 120.838 121.223 0.008 0.000 2.270 613 L HA 0.043 4.383 4.340 -0.001 0.000 0.210 613 L C 1.400 178.315 176.870 0.075 0.000 1.104 613 L CA 1.234 56.089 54.840 0.024 0.000 0.804 613 L CB -0.516 41.533 42.059 -0.017 0.000 0.937 613 L HN -0.047 nan 8.230 nan 0.000 0.450 614 D N -0.452 119.980 120.400 0.053 0.000 2.469 614 D HA 0.080 4.720 4.640 -0.001 0.000 0.213 614 D C 0.593 176.909 176.300 0.026 0.000 1.135 614 D CA 0.371 54.405 54.000 0.055 0.000 0.834 614 D CB 1.081 41.898 40.800 0.028 0.000 1.009 614 D HN 0.279 nan 8.370 nan 0.000 0.507 615 T N -1.060 113.508 114.554 0.024 0.000 2.900 615 T HA 0.524 4.873 4.350 -0.001 0.000 0.295 615 T C -3.017 171.688 174.700 0.008 0.000 1.044 615 T CA -1.889 60.192 62.100 -0.032 0.000 0.995 615 T CB 3.041 71.873 68.868 -0.060 0.000 1.072 615 T HN -0.292 nan 8.240 nan 0.000 0.473 616 P HA 0.542 nan 4.420 nan 0.000 0.276 616 P C -0.901 176.012 177.300 -0.644 0.000 1.244 616 P CA -0.024 62.691 63.100 -0.643 0.000 0.801 616 P CB 0.523 31.286 31.700 -1.562 0.000 1.006 617 Q N -0.513 119.093 119.800 -0.324 0.000 2.352 617 Q HA 0.601 4.940 4.340 -0.001 0.000 0.270 617 Q C -0.110 176.084 176.000 0.324 0.000 1.006 617 Q CA -0.236 55.584 55.803 0.028 0.000 0.880 617 Q CB 1.206 29.959 28.738 0.026 0.000 1.392 617 Q HN 0.972 nan 8.270 nan 0.000 0.401 618 G N 0.003 109.064 108.800 0.436 0.000 2.758 618 G HA2 0.152 4.112 3.960 -0.001 0.000 0.686 618 G HA3 0.152 4.112 3.960 -0.001 0.000 0.686 618 G C -0.437 174.725 174.900 0.437 0.000 1.389 618 G CA -0.307 44.998 45.100 0.341 0.000 0.845 618 G HN 1.471 nan 8.290 nan 0.000 0.572 619 I N 0.840 121.573 120.570 0.273 0.000 2.377 619 I HA 0.558 4.728 4.170 -0.001 0.000 0.293 619 I C 1.104 177.347 176.117 0.211 0.000 0.987 619 I CA -0.549 60.915 61.300 0.274 0.000 1.185 619 I CB 2.025 40.149 38.000 0.206 0.000 1.341 619 I HN 0.947 nan 8.210 nan 0.000 0.455 620 A N 7.020 129.965 122.820 0.207 0.000 3.029 620 A HA 0.246 4.566 4.320 -0.001 0.000 0.251 620 A C 1.324 178.974 177.584 0.110 0.000 1.749 620 A CA -0.052 52.074 52.037 0.147 0.000 1.386 620 A CB -0.801 18.280 19.000 0.136 0.000 1.043 620 A HN 0.849 nan 8.150 nan 0.000 0.638 621 L N -0.093 121.192 121.223 0.103 0.000 2.353 621 L HA -0.169 4.170 4.340 -0.001 0.000 0.220 621 L C 2.033 178.939 176.870 0.060 0.000 1.133 621 L CA 1.180 56.067 54.840 0.078 0.000 0.798 621 L CB -0.355 41.744 42.059 0.067 0.000 0.922 621 L HN 0.687 nan 8.230 nan 0.000 0.445 622 D N 0.128 120.564 120.400 0.060 0.000 2.264 622 D HA -0.165 4.474 4.640 -0.001 0.000 0.208 622 D C 0.867 177.194 176.300 0.044 0.000 0.966 622 D CA 0.613 54.642 54.000 0.048 0.000 0.864 622 D CB -0.181 40.648 40.800 0.047 0.000 0.933 622 D HN 0.249 nan 8.370 nan 0.000 0.499 623 R N 1.168 121.698 120.500 0.050 0.000 2.210 623 R HA 0.218 4.558 4.340 -0.001 0.000 0.338 623 R C -1.699 174.623 176.300 0.037 0.000 1.062 623 R CA -1.459 54.666 56.100 0.042 0.000 0.902 623 R CB 0.983 31.311 30.300 0.046 0.000 1.050 623 R HN -0.013 nan 8.270 nan 0.000 0.461 624 P HA -0.298 nan 4.420 nan 0.000 0.217 624 P C 1.661 178.975 177.300 0.023 0.000 1.162 624 P CA 1.822 64.937 63.100 0.025 0.000 0.901 624 P CB 0.310 32.022 31.700 0.020 0.000 0.793 625 Q N -0.513 119.298 119.800 0.019 0.000 2.124 625 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 625 Q C 2.287 178.294 176.000 0.013 0.000 0.977 625 Q CA 2.133 57.943 55.803 0.012 0.000 0.850 625 Q CB -1.901 26.840 28.738 0.005 0.000 0.901 625 Q HN 0.130 nan 8.270 nan 0.000 0.429 626 V N 0.865 120.791 119.914 0.020 0.000 2.270 626 V HA -0.193 3.926 4.120 -0.001 0.000 0.245 626 V C 2.881 179.006 176.094 0.052 0.000 1.043 626 V CA 1.781 64.098 62.300 0.028 0.000 1.014 626 V CB -1.174 30.673 31.823 0.040 0.000 0.645 626 V HN 0.751 nan 8.190 nan 0.000 0.447 627 A N 0.069 122.922 122.820 0.055 0.000 1.892 627 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 627 A C 2.402 180.018 177.584 0.053 0.000 1.188 627 A CA 2.835 54.907 52.037 0.059 0.000 0.631 627 A CB -1.174 17.854 19.000 0.046 0.000 0.822 627 A HN 0.531 nan 8.150 nan 0.000 0.447 628 T N 0.053 114.629 114.554 0.037 0.000 2.652 628 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 628 T C 2.069 176.789 174.700 0.034 0.000 1.039 628 T CA 1.787 63.905 62.100 0.030 0.000 1.153 628 T CB -0.339 68.540 68.868 0.019 0.000 0.863 628 T HN 0.633 nan 8.240 nan 0.000 0.428 629 Q N 0.135 119.951 119.800 0.027 0.000 2.119 629 Q HA -0.043 4.296 4.340 -0.001 0.000 0.201 629 Q C 2.597 178.628 176.000 0.050 0.000 0.972 629 Q CA 0.983 56.795 55.803 0.015 0.000 0.847 629 Q CB -0.322 28.403 28.738 -0.020 0.000 0.903 629 Q HN 0.344 nan 8.270 nan 0.000 0.433 630 V N 0.800 120.775 119.914 0.101 0.000 2.307 630 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 630 V C 2.323 178.553 176.094 0.227 0.000 1.045 630 V CA 1.867 64.299 62.300 0.220 0.000 1.024 630 V CB -0.542 31.451 31.823 0.282 0.000 0.651 630 V HN 0.308 nan 8.190 nan 0.000 0.449 631 R N -0.150 120.429 120.500 0.131 0.000 2.091 631 R HA -0.267 4.072 4.340 -0.001 0.000 0.238 631 R C 2.392 178.746 176.300 0.092 0.000 1.136 631 R CA 2.118 58.275 56.100 0.095 0.000 0.959 631 R CB -0.227 30.105 30.300 0.053 0.000 0.856 631 R HN 0.487 nan 8.270 nan 0.000 0.437 632 Q N 0.196 120.040 119.800 0.072 0.000 2.084 632 Q HA -0.081 4.259 4.340 -0.001 0.000 0.202 632 Q C 1.812 177.850 176.000 0.064 0.000 0.978 632 Q CA 2.118 57.952 55.803 0.051 0.000 0.844 632 Q CB -0.285 28.468 28.738 0.025 0.000 0.898 632 Q HN 0.443 nan 8.270 nan 0.000 0.426 633 A N 0.005 122.874 122.820 0.083 0.000 1.902 633 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 633 A C 1.993 179.689 177.584 0.186 0.000 1.181 633 A CA 1.523 53.597 52.037 0.063 0.000 0.623 633 A CB -0.836 18.133 19.000 -0.052 0.000 0.818 633 A HN 0.467 nan 8.150 nan 0.000 0.443 634 L N -0.293 121.123 121.223 0.322 0.000 2.027 634 L HA -0.018 4.322 4.340 -0.001 0.000 0.206 634 L C 2.702 179.662 176.870 0.149 0.000 1.074 634 L CA 2.143 57.159 54.840 0.294 0.000 0.745 634 L CB -0.874 41.268 42.059 0.139 0.000 0.898 634 L HN 0.342 nan 8.230 nan 0.000 0.433 635 A N -0.736 122.144 122.820 0.099 0.000 1.908 635 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 635 A C 2.011 179.633 177.584 0.064 0.000 1.181 635 A CA 2.048 54.124 52.037 0.065 0.000 0.627 635 A CB -0.862 18.164 19.000 0.043 0.000 0.818 635 A HN 0.539 nan 8.150 nan 0.000 0.445 636 D N -0.110 120.324 120.400 0.057 0.000 2.097 636 D HA -0.010 4.629 4.640 -0.001 0.000 0.197 636 D C 2.294 178.616 176.300 0.036 0.000 0.984 636 D CA 1.526 55.546 54.000 0.032 0.000 0.826 636 D CB -0.535 40.272 40.800 0.011 0.000 0.973 636 D HN 0.406 nan 8.370 nan 0.000 0.460 637 A N 1.122 123.981 122.820 0.065 0.000 1.908 637 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 637 A C 2.310 179.945 177.584 0.084 0.000 1.181 637 A CA 2.405 54.481 52.037 0.065 0.000 0.627 637 A CB -0.753 18.326 19.000 0.131 0.000 0.818 637 A HN 0.242 nan 8.150 nan 0.000 0.445 638 A N -0.235 122.683 122.820 0.162 0.000 1.898 638 A HA 0.183 4.502 4.320 -0.001 0.000 0.216 638 A C 2.515 180.173 177.584 0.122 0.000 1.181 638 A CA 2.054 54.243 52.037 0.254 0.000 0.620 638 A CB -1.031 18.107 19.000 0.231 0.000 0.819 638 A HN 1.074 nan 8.150 nan 0.000 0.442 639 A N -0.352 122.508 122.820 0.067 0.000 1.902 639 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 639 A C 2.058 179.638 177.584 -0.007 0.000 1.181 639 A CA 1.838 53.892 52.037 0.028 0.000 0.623 639 A CB -0.578 18.433 19.000 0.019 0.000 0.818 639 A HN 0.667 nan 8.150 nan 0.000 0.443 640 E N -0.120 120.067 120.200 -0.022 0.000 2.085 640 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 640 E C 1.933 178.476 176.600 -0.094 0.000 0.994 640 E CA 1.647 58.015 56.400 -0.053 0.000 0.801 640 E CB -0.138 29.528 29.700 -0.057 0.000 0.743 640 E HN 0.350 nan 8.360 nan 0.000 0.453 641 V N 1.957 121.782 119.914 -0.148 0.000 2.295 641 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 641 V C 2.250 178.235 176.094 -0.182 0.000 1.049 641 V CA 1.978 64.115 62.300 -0.271 0.000 1.024 641 V CB -0.524 30.910 31.823 -0.648 0.000 0.648 641 V HN 0.271 nan 8.190 nan 0.000 0.447 642 E N 0.322 120.470 120.200 -0.087 0.000 2.204 642 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 642 E C 2.057 178.635 176.600 -0.037 0.000 0.990 642 E CA 1.209 57.592 56.400 -0.028 0.000 0.821 642 E CB -0.241 29.474 29.700 0.026 0.000 0.750 642 E HN 0.624 nan 8.360 nan 0.000 0.477 643 K N 1.478 121.851 120.400 -0.046 0.000 2.031 643 K HA -0.055 4.264 4.320 -0.001 0.000 0.205 643 K C 1.044 177.614 176.600 -0.050 0.000 1.049 643 K CA 0.742 57.005 56.287 -0.040 0.000 0.939 643 K CB 0.079 32.556 32.500 -0.037 0.000 0.717 643 K HN 0.115 nan 8.250 nan 0.000 0.438 644 S N -0.385 115.274 115.700 -0.068 0.000 2.572 644 S HA 0.107 4.577 4.470 -0.001 0.000 0.267 644 S C 0.521 175.077 174.600 -0.073 0.000 1.361 644 S CA -0.364 57.791 58.200 -0.075 0.000 1.009 644 S CB 1.151 64.295 63.200 -0.094 0.000 0.888 644 S HN 0.304 nan 8.310 nan 0.000 0.553 645 G N 0.899 109.654 108.800 -0.075 0.000 2.807 645 G HA2 0.539 4.499 3.960 -0.001 0.000 0.316 645 G HA3 0.539 4.499 3.960 -0.001 0.000 0.316 645 G C -0.485 174.369 174.900 -0.077 0.000 0.900 645 G CA -0.736 44.324 45.100 -0.067 0.000 1.499 645 G HN 0.712 nan 8.290 nan 0.000 0.484 646 I N 3.284 123.814 120.570 -0.067 0.000 2.390 646 I HA 0.218 4.387 4.170 -0.001 0.000 0.283 646 I C -1.546 174.553 176.117 -0.030 0.000 1.016 646 I CA -1.630 59.634 61.300 -0.060 0.000 1.151 646 I CB 1.513 39.469 38.000 -0.074 0.000 1.293 646 I HN 0.291 nan 8.210 nan 0.000 0.458 651 R N 0.725 121.286 120.500 0.102 0.000 2.893 651 R HA 0.419 4.759 4.340 -0.001 0.000 0.245 651 R C 0.887 177.323 176.300 0.227 0.000 1.192 651 R CA -0.728 55.471 56.100 0.166 0.000 1.077 651 R CB 0.870 31.260 30.300 0.151 0.000 1.253 651 R HN 0.905 nan 8.270 nan 0.000 0.505 652 W N 1.241 122.604 121.300 0.105 0.000 2.338 652 W HA -0.130 4.529 4.660 -0.001 0.000 0.304 652 W C 1.247 177.838 176.519 0.120 0.000 1.212 652 W CA 1.909 59.338 57.345 0.139 0.000 1.264 652 W CB -0.124 29.478 29.460 0.236 0.000 1.142 652 W HN 0.823 nan 8.180 nan 0.000 0.512 653 G N 0.295 109.113 108.800 0.030 0.000 2.470 653 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.220 653 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.220 653 G C 1.034 175.896 174.900 -0.065 0.000 1.121 653 G CA 1.052 46.102 45.100 -0.083 0.000 0.766 653 G HN 0.222 nan 8.290 nan 0.000 0.553 654 D N -0.272 120.123 120.400 -0.009 0.000 2.269 654 D HA -0.027 4.613 4.640 -0.001 0.000 0.208 654 D C 2.145 178.463 176.300 0.030 0.000 0.963 654 D CA 0.423 54.438 54.000 0.026 0.000 0.864 654 D CB 0.352 41.175 40.800 0.038 0.000 0.936 654 D HN 0.350 nan 8.370 nan 0.000 0.505 655 L N -0.097 121.066 121.223 -0.101 0.000 2.349 655 L HA 0.168 4.508 4.340 -0.001 0.000 0.200 655 L C 0.582 177.315 176.870 -0.228 0.000 1.064 655 L CA 0.684 55.434 54.840 -0.152 0.000 0.821 655 L CB 0.064 42.004 42.059 -0.199 0.000 1.027 655 L HN -0.224 nan 8.230 nan 0.000 0.476 656 Q N 0.901 120.362 119.800 -0.565 0.000 2.296 656 Q HA 0.549 4.889 4.340 -0.001 0.000 0.257 656 Q C -1.247 174.586 176.000 -0.279 0.000 0.942 656 Q CA -0.405 55.075 55.803 -0.539 0.000 0.939 656 Q CB 1.112 29.265 28.738 -0.974 0.000 1.198 656 Q HN 0.246 nan 8.270 nan 0.000 0.429 657 V N -0.007 119.809 119.914 -0.163 0.000 3.159 657 V HA 0.749 4.869 4.120 -0.001 0.000 0.308 657 V C -1.042 175.017 176.094 -0.059 0.000 1.190 657 V CA -0.944 61.296 62.300 -0.100 0.000 1.037 657 V CB 1.999 33.732 31.823 -0.150 0.000 1.060 657 V HN 0.617 nan 8.190 nan 0.000 0.437 658 S N 0.749 116.461 115.700 0.021 0.000 2.498 658 S HA 0.617 5.087 4.470 -0.001 0.000 0.317 658 S C -0.113 174.517 174.600 0.051 0.000 1.090 658 S CA -0.262 57.989 58.200 0.085 0.000 1.089 658 S CB 1.048 64.431 63.200 0.306 0.000 0.997 658 S HN 1.047 nan 8.310 nan 0.000 0.470 659 T N 5.989 120.564 114.554 0.034 0.000 2.851 659 T HA 0.382 4.732 4.350 -0.001 0.000 0.298 659 T C -0.241 174.495 174.700 0.061 0.000 0.977 659 T CA -0.324 61.793 62.100 0.028 0.000 1.126 659 T CB 0.177 69.060 68.868 0.025 0.000 0.916 659 T HN 0.408 nan 8.240 nan 0.000 0.529 660 R N 2.676 123.219 120.500 0.071 0.000 2.468 660 R HA 0.502 4.842 4.340 -0.001 0.000 0.302 660 R C 0.948 177.413 176.300 0.274 0.000 1.041 660 R CA -0.117 56.067 56.100 0.141 0.000 0.899 660 R CB 1.048 31.321 30.300 -0.045 0.000 1.167 660 R HN 0.979 nan 8.270 nan 0.000 0.483 661 G N 2.943 111.953 108.800 0.350 0.000 2.602 661 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.310 661 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.310 661 G C 0.384 175.343 174.900 0.098 0.000 1.183 661 G CA 0.344 45.546 45.100 0.169 0.000 0.979 661 G HN 0.567 nan 8.290 nan 0.000 0.545 662 Q N 0.983 120.824 119.800 0.068 0.000 2.194 662 Q HA 0.230 4.570 4.340 -0.001 0.000 0.214 662 Q C 0.129 176.145 176.000 0.026 0.000 0.838 662 Q CA -0.019 55.807 55.803 0.039 0.000 0.972 662 Q CB 0.726 29.481 28.738 0.028 0.000 1.131 662 Q HN 0.622 nan 8.270 nan 0.000 0.498 663 E N 0.959 121.182 120.200 0.039 0.000 2.232 663 E HA 0.447 4.797 4.350 -0.001 0.000 0.265 663 E C -0.408 176.190 176.600 -0.005 0.000 1.001 663 E CA -0.492 55.919 56.400 0.019 0.000 0.870 663 E CB 1.556 31.279 29.700 0.039 0.000 1.175 663 E HN 0.038 nan 8.360 nan 0.000 0.407 664 R N 0.946 121.423 120.500 -0.039 0.000 2.561 664 R HA 0.526 4.866 4.340 -0.001 0.000 0.297 664 R C -0.381 175.898 176.300 -0.036 0.000 0.969 664 R CA -0.532 55.524 56.100 -0.073 0.000 0.879 664 R CB 1.488 31.666 30.300 -0.203 0.000 1.178 664 R HN 0.389 nan 8.270 nan 0.000 0.445 665 I N 2.373 122.942 120.570 -0.001 0.000 2.336 665 I HA 0.317 4.486 4.170 -0.001 0.000 0.292 665 I C 0.476 176.614 176.117 0.035 0.000 0.991 665 I CA -0.703 60.618 61.300 0.035 0.000 1.227 665 I CB 1.844 39.892 38.000 0.080 0.000 1.366 665 I HN 0.660 nan 8.210 nan 0.000 0.466 666 A N 8.022 130.855 122.820 0.023 0.000 2.477 666 A HA 0.462 4.782 4.320 -0.001 0.000 0.246 666 A C -0.299 177.317 177.584 0.052 0.000 1.078 666 A CA 0.138 52.177 52.037 0.003 0.000 0.770 666 A CB 0.031 19.032 19.000 0.000 0.000 1.011 666 A HN 0.538 nan 8.150 nan 0.000 0.494 667 I N 4.583 125.172 120.570 0.031 0.000 2.447 667 I HA 0.352 4.521 4.170 -0.001 0.000 0.287 667 I C -2.390 173.803 176.117 0.128 0.000 1.023 667 I CA -2.317 59.071 61.300 0.148 0.000 1.083 667 I CB 1.675 39.803 38.000 0.213 0.000 1.245 667 I HN 0.442 nan 8.210 nan 0.000 0.434 668 P HA 0.521 nan 4.420 nan 0.000 0.279 668 P C 0.008 177.510 177.300 0.337 0.000 1.252 668 P CA 0.282 63.512 63.100 0.217 0.000 0.811 668 P CB 1.765 33.491 31.700 0.042 0.000 1.035 669 G N -0.487 108.569 108.800 0.427 0.000 2.479 669 G HA2 0.425 4.385 3.960 -0.001 0.000 0.686 669 G HA3 0.425 4.385 3.960 -0.001 0.000 0.686 669 G C -0.842 174.391 174.900 0.555 0.000 1.295 669 G CA -0.331 44.997 45.100 0.380 0.000 0.922 669 G HN 0.831 nan 8.290 nan 0.000 0.582 670 G N -1.110 107.944 108.800 0.422 0.000 2.608 670 G HA2 0.614 4.573 3.960 -0.001 0.000 0.291 670 G HA3 0.614 4.573 3.960 -0.001 0.000 0.291 670 G C -1.361 173.799 174.900 0.433 0.000 1.425 670 G CA 0.227 45.670 45.100 0.572 0.000 0.787 670 G HN 0.840 nan 8.290 nan 0.000 0.484 671 D N -0.257 120.457 120.400 0.523 0.000 2.455 671 D HA 0.194 4.834 4.640 -0.001 0.000 0.241 671 D C 1.688 178.083 176.300 0.159 0.000 1.138 671 D CA 0.768 54.931 54.000 0.273 0.000 0.877 671 D CB 1.459 42.355 40.800 0.160 0.000 1.187 671 D HN 0.430 nan 8.370 nan 0.000 0.451 672 G N 2.699 111.498 108.800 -0.001 0.000 2.448 672 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 672 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 672 G C 1.242 176.104 174.900 -0.063 0.000 1.127 672 G CA 0.770 45.845 45.100 -0.042 0.000 0.766 672 G HN 0.675 nan 8.290 nan 0.000 0.552 673 H N -0.813 118.200 119.070 -0.095 0.000 2.489 673 H HA 0.019 4.575 4.556 -0.001 0.000 0.293 673 H C 1.196 176.440 175.328 -0.140 0.000 1.066 673 H CA 0.931 56.866 56.048 -0.188 0.000 1.305 673 H CB -0.060 29.469 29.762 -0.389 0.000 1.386 673 H HN 0.449 nan 8.280 nan 0.000 0.551 674 F N -0.723 119.434 119.950 0.344 0.000 2.660 674 F HA 0.287 4.813 4.527 -0.001 0.000 0.302 674 F C 1.593 177.604 175.800 0.352 0.000 1.103 674 F CA 0.323 58.561 58.000 0.398 0.000 1.340 674 F CB 0.077 39.374 39.000 0.496 0.000 1.048 674 F HN 0.151 nan 8.300 nan 0.000 0.551 675 G N 0.691 109.729 108.800 0.396 0.000 2.176 675 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.252 675 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.252 675 G C -0.129 174.915 174.900 0.239 0.000 1.024 675 G CA 0.095 45.413 45.100 0.364 0.000 0.755 675 G HN 0.179 nan 8.290 nan 0.000 0.507 676 V N 0.665 120.700 119.914 0.202 0.000 2.408 676 V HA 0.290 4.409 4.120 -0.001 0.000 0.267 676 V C 1.471 177.644 176.094 0.131 0.000 1.047 676 V CA -0.450 61.908 62.300 0.096 0.000 0.937 676 V CB 0.894 32.791 31.823 0.124 0.000 0.999 676 V HN 0.300 nan 8.190 nan 0.000 0.472 677 Y N 4.185 124.435 120.300 -0.084 0.000 2.128 677 Y HA -0.183 4.367 4.550 -0.001 0.000 0.284 677 Y C 1.887 177.887 175.900 0.167 0.000 1.154 677 Y CA 1.937 60.072 58.100 0.059 0.000 1.149 677 Y CB -0.056 38.431 38.460 0.045 0.000 0.976 677 Y HN 0.721 nan 8.280 nan 0.000 0.505 678 N N 1.445 120.285 118.700 0.232 0.000 2.670 678 N HA 0.112 4.851 4.740 -0.001 0.000 0.296 678 N C -1.006 174.565 175.510 0.101 0.000 1.216 678 N CA 0.437 53.620 53.050 0.222 0.000 1.123 678 N CB -0.566 38.091 38.487 0.284 0.000 1.459 678 N HN 0.281 nan 8.380 nan 0.000 0.509 679 A N 3.443 126.139 122.820 -0.205 0.000 2.454 679 A HA 0.416 4.735 4.320 -0.001 0.000 0.260 679 A C -0.206 177.307 177.584 -0.120 0.000 1.106 679 A CA -0.146 51.714 52.037 -0.296 0.000 0.780 679 A CB 0.145 18.708 19.000 -0.729 0.000 1.044 679 A HN 0.526 nan 8.150 nan 0.000 0.498 680 I N 2.241 122.847 120.570 0.061 0.000 2.534 680 I HA 0.290 4.460 4.170 -0.001 0.000 0.288 680 I C -0.155 176.014 176.117 0.086 0.000 1.077 680 I CA -0.158 61.191 61.300 0.081 0.000 1.051 680 I CB 1.693 39.801 38.000 0.181 0.000 1.234 680 I HN 0.861 nan 8.210 nan 0.000 0.425 681 Q N 5.029 124.827 119.800 -0.003 0.000 2.290 681 Q HA 0.631 4.970 4.340 -0.001 0.000 0.259 681 Q C -0.864 175.112 176.000 -0.040 0.000 0.941 681 Q CA -0.329 55.486 55.803 0.021 0.000 0.912 681 Q CB 1.725 30.473 28.738 0.018 0.000 1.244 681 Q HN 0.814 nan 8.270 nan 0.000 0.441 682 S N 1.686 117.398 115.700 0.020 0.000 2.632 682 S HA 0.813 5.283 4.470 -0.001 0.000 0.289 682 S C -0.504 174.097 174.600 0.002 0.000 1.115 682 S CA -0.666 57.521 58.200 -0.023 0.000 0.889 682 S CB 1.608 64.794 63.200 -0.023 0.000 1.116 682 S HN 0.618 nan 8.310 nan 0.000 0.486 683 V N -2.914 116.989 119.914 -0.018 0.000 2.823 683 V HA 0.979 5.098 4.120 -0.001 0.000 0.312 683 V C 0.231 176.320 176.094 -0.009 0.000 1.072 683 V CA -1.005 61.290 62.300 -0.008 0.000 0.937 683 V CB 0.794 32.608 31.823 -0.015 0.000 1.013 683 V HN 1.403 nan 8.190 nan 0.000 0.430 684 R N 0.809 121.305 120.500 -0.007 0.000 2.484 684 R HA 0.629 4.969 4.340 -0.001 0.000 0.293 684 R C 0.169 176.466 176.300 -0.005 0.000 1.023 684 R CA 0.357 56.451 56.100 -0.010 0.000 1.037 684 R CB -0.757 29.532 30.300 -0.018 0.000 0.951 684 R HN 2.017 nan 8.270 nan 0.000 0.418 685 K N 1.679 122.084 120.400 0.008 0.000 2.637 685 K HA 0.672 4.992 4.320 -0.001 0.000 0.248 685 K C 1.097 177.717 176.600 0.034 0.000 0.971 685 K CA 0.201 56.498 56.287 0.016 0.000 0.858 685 K CB 0.623 33.133 32.500 0.016 0.000 1.170 685 K HN 2.350 nan 8.250 nan 0.000 0.443 686 G N 2.034 110.846 108.800 0.020 0.000 2.660 686 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.321 686 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.321 686 G C 0.660 175.562 174.900 0.004 0.000 1.246 686 G CA 1.329 46.443 45.100 0.023 0.000 1.000 686 G HN 1.415 nan 8.290 nan 0.000 0.550 687 D N 0.922 121.332 120.400 0.017 0.000 2.328 687 D HA 0.322 4.962 4.640 -0.001 0.000 0.221 687 D C 0.825 176.909 176.300 -0.361 0.000 1.072 687 D CA 0.768 54.684 54.000 -0.140 0.000 0.850 687 D CB -0.058 40.646 40.800 -0.160 0.000 0.922 687 D HN 0.724 nan 8.370 nan 0.000 0.516 688 H N -1.234 117.805 119.070 -0.052 0.000 2.941 688 H HA 0.550 5.106 4.556 -0.001 0.000 0.344 688 H C -0.827 174.450 175.328 -0.084 0.000 1.235 688 H CA -0.889 55.113 56.048 -0.077 0.000 1.149 688 H CB 1.665 31.382 29.762 -0.074 0.000 1.885 688 H HN -0.199 nan 8.280 nan 0.000 0.558 689 L N 1.659 122.891 121.223 0.016 0.000 2.265 689 L HA 0.302 4.642 4.340 -0.001 0.000 0.289 689 L C -0.295 176.544 176.870 -0.052 0.000 1.033 689 L CA -0.517 54.298 54.840 -0.041 0.000 0.814 689 L CB 1.112 43.111 42.059 -0.100 0.000 1.203 689 L HN 0.546 nan 8.230 nan 0.000 0.423 690 E N 2.970 123.147 120.200 -0.039 0.000 2.174 690 E HA 0.275 4.624 4.350 -0.001 0.000 0.282 690 E C -0.840 175.696 176.600 -0.106 0.000 0.992 690 E CA -0.555 55.810 56.400 -0.058 0.000 0.803 690 E CB 1.475 31.159 29.700 -0.027 0.000 1.090 690 E HN 0.247 nan 8.360 nan 0.000 0.396 691 V N 5.781 125.585 119.914 -0.183 0.000 2.585 691 V HA 0.015 4.134 4.120 -0.001 0.000 0.296 691 V C 1.181 177.083 176.094 -0.320 0.000 1.035 691 V CA 0.667 62.748 62.300 -0.364 0.000 1.084 691 V CB 0.834 32.216 31.823 -0.734 0.000 0.953 691 V HN 0.759 nan 8.190 nan 0.000 0.483 692 V N 1.536 121.274 119.914 -0.294 0.000 3.572 692 V HA 0.740 4.859 4.120 -0.001 0.000 0.260 692 V C 0.644 176.663 176.094 -0.125 0.000 1.324 692 V CA 0.802 63.016 62.300 -0.144 0.000 1.068 692 V CB 0.271 32.053 31.823 -0.068 0.000 0.837 692 V HN 0.981 nan 8.190 nan 0.000 0.450 693 G N -1.903 106.737 108.800 -0.268 0.000 2.623 693 G HA2 0.736 4.696 3.960 -0.001 0.000 0.290 693 G HA3 0.736 4.696 3.960 -0.001 0.000 0.290 693 G C -0.359 174.528 174.900 -0.022 0.000 1.437 693 G CA 0.117 45.214 45.100 -0.004 0.000 0.798 693 G HN 1.385 nan 8.290 nan 0.000 0.488 694 G N -1.358 107.651 108.800 0.348 0.000 2.260 694 G HA2 0.427 4.387 3.960 -0.001 0.000 0.250 694 G HA3 0.427 4.387 3.960 -0.001 0.000 0.250 694 G C -0.065 175.183 174.900 0.579 0.000 1.340 694 G CA 0.146 45.444 45.100 0.331 0.000 1.056 694 G HN 1.414 nan 8.290 nan 0.000 0.471 695 T N 1.238 116.070 114.554 0.463 0.000 2.830 695 T HA 0.379 4.729 4.350 -0.001 0.000 0.282 695 T C 1.281 176.126 174.700 0.241 0.000 1.024 695 T CA 1.673 64.006 62.100 0.388 0.000 1.144 695 T CB 0.204 69.268 68.868 0.327 0.000 1.035 695 T HN 1.624 nan 8.240 nan 0.000 0.507 696 S N 2.712 118.418 115.700 0.011 0.000 3.830 696 S HA 0.226 4.695 4.470 -0.001 0.000 0.172 696 S C -0.295 174.018 174.600 -0.479 0.000 0.966 696 S CA -0.693 57.377 58.200 -0.216 0.000 1.124 696 S CB 0.087 63.545 63.200 0.430 0.000 1.697 696 S HN 0.582 nan 8.310 nan 0.000 0.872 697 Y N 3.153 123.152 120.300 -0.500 0.000 2.365 697 Y HA 0.692 5.241 4.550 -0.001 0.000 0.340 697 Y C -0.723 174.861 175.900 -0.527 0.000 1.016 697 Y CA -1.657 56.087 58.100 -0.593 0.000 1.196 697 Y CB 0.152 38.155 38.460 -0.762 0.000 1.167 697 Y HN 0.375 nan 8.280 nan 0.000 0.509 698 I N 6.809 126.775 120.570 -1.007 0.000 2.404 698 I HA 0.354 4.524 4.170 -0.001 0.000 0.293 698 I C -0.775 174.589 176.117 -1.254 0.000 0.992 698 I CA -0.722 59.960 61.300 -1.031 0.000 1.149 698 I CB 1.780 39.124 38.000 -1.093 0.000 1.315 698 I HN 0.569 nan 8.210 nan 0.000 0.446 699 Q N 6.762 125.958 119.800 -1.006 0.000 2.271 699 Q HA 0.515 4.855 4.340 -0.001 0.000 0.268 699 Q C -2.238 173.485 176.000 -0.460 0.000 1.021 699 Q CA -0.793 54.549 55.803 -0.767 0.000 0.802 699 Q CB 2.733 30.992 28.738 -0.798 0.000 1.282 699 Q HN 0.599 nan 8.270 nan 0.000 0.431 700 L N 4.790 125.808 121.223 -0.342 0.000 2.372 700 L HA 0.628 4.968 4.340 -0.001 0.000 0.274 700 L C -1.917 174.761 176.870 -0.320 0.000 0.988 700 L CA -0.485 54.232 54.840 -0.205 0.000 0.833 700 L CB 1.925 43.997 42.059 0.021 0.000 1.236 700 L HN 0.497 nan 8.230 nan 0.000 0.410 701 V N 3.660 123.347 119.914 -0.379 0.000 2.604 701 V HA 0.819 4.938 4.120 -0.001 0.000 0.305 701 V C 0.185 175.926 176.094 -0.589 0.000 1.043 701 V CA -0.112 61.825 62.300 -0.605 0.000 0.888 701 V CB 1.938 33.308 31.823 -0.756 0.000 0.995 701 V HN 0.898 nan 8.190 nan 0.000 0.429 702 T N -0.017 114.133 114.554 -0.673 0.000 2.888 702 T HA 0.769 5.119 4.350 -0.001 0.000 0.288 702 T C -0.906 173.324 174.700 -0.784 0.000 1.063 702 T CA -0.511 61.258 62.100 -0.552 0.000 1.010 702 T CB 1.939 70.668 68.868 -0.232 0.000 1.214 702 T HN 0.187 nan 8.240 nan 0.000 0.533 703 F N 1.638 121.561 119.950 -0.046 0.000 2.564 703 F HA 0.391 4.918 4.527 -0.001 0.000 0.329 703 F C -2.290 173.510 175.800 0.000 0.000 1.458 703 F CA -2.034 55.954 58.000 -0.021 0.000 1.117 703 F CB 0.718 39.726 39.000 0.014 0.000 1.383 703 F HN 0.337 nan 8.300 nan 0.000 0.571 704 P HA 0.084 nan 4.420 nan 0.000 0.272 704 P C 0.691 178.049 177.300 0.097 0.000 1.240 704 P CA -0.013 63.131 63.100 0.073 0.000 0.791 704 P CB 1.141 32.855 31.700 0.024 0.000 0.978 705 E N 0.467 120.716 120.200 0.082 0.000 2.130 705 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 705 E C 1.470 178.121 176.600 0.086 0.000 0.998 705 E CA 1.555 58.007 56.400 0.087 0.000 0.806 705 E CB -0.173 29.567 29.700 0.066 0.000 0.738 705 E HN 0.525 nan 8.360 nan 0.000 0.459 706 E N -0.048 120.194 120.200 0.070 0.000 2.204 706 E HA -0.004 4.346 4.350 -0.001 0.000 0.195 706 E C 0.755 177.408 176.600 0.089 0.000 0.990 706 E CA 0.976 57.417 56.400 0.068 0.000 0.821 706 E CB 0.146 29.877 29.700 0.052 0.000 0.750 706 E HN 0.304 nan 8.360 nan 0.000 0.477 707 G N -0.737 108.122 108.800 0.099 0.000 2.352 707 G HA2 0.121 4.080 3.960 -0.001 0.000 0.302 707 G HA3 0.121 4.080 3.960 -0.001 0.000 0.302 707 G C -3.019 171.940 174.900 0.097 0.000 1.370 707 G CA -1.031 44.148 45.100 0.132 0.000 0.918 707 G HN -0.162 nan 8.290 nan 0.000 0.610 708 P HA 0.265 nan 4.420 nan 0.000 0.271 708 P C -0.770 176.398 177.300 -0.220 0.000 1.220 708 P CA 0.133 63.155 63.100 -0.129 0.000 0.768 708 P CB 1.180 32.792 31.700 -0.147 0.000 0.848 709 K N 2.555 122.748 120.400 -0.345 0.000 2.281 709 K HA 0.610 4.929 4.320 -0.001 0.000 0.272 709 K C -1.022 175.300 176.600 -0.464 0.000 1.048 709 K CA -0.617 55.495 56.287 -0.293 0.000 0.898 709 K CB 0.480 32.864 32.500 -0.193 0.000 1.128 709 K HN 0.509 nan 8.250 nan 0.000 0.460 710 A N 4.949 127.482 122.820 -0.478 0.000 2.355 710 A HA 0.649 4.969 4.320 -0.001 0.000 0.317 710 A C -0.969 176.434 177.584 -0.301 0.000 1.094 710 A CA -0.855 50.820 52.037 -0.604 0.000 0.764 710 A CB 1.101 19.398 19.000 -1.172 0.000 1.230 710 A HN 0.832 nan 8.150 nan 0.000 0.448 711 R N 0.604 120.964 120.500 -0.233 0.000 2.744 711 R HA 0.778 5.117 4.340 -0.001 0.000 0.279 711 R C 0.148 176.371 176.300 -0.128 0.000 0.977 711 R CA 0.028 56.079 56.100 -0.082 0.000 0.906 711 R CB 2.604 32.931 30.300 0.045 0.000 1.197 711 R HN 1.335 nan 8.270 nan 0.000 0.463 712 G N 1.052 109.773 108.800 -0.130 0.000 2.404 712 G HA2 0.364 4.323 3.960 -0.001 0.000 0.253 712 G HA3 0.364 4.323 3.960 -0.001 0.000 0.253 712 G C -1.968 172.713 174.900 -0.365 0.000 1.253 712 G CA -0.709 44.114 45.100 -0.461 0.000 0.917 712 G HN 0.398 nan 8.290 nan 0.000 0.480 713 L N -0.964 119.981 121.223 -0.464 0.000 2.866 713 L HA 0.506 4.845 4.340 -0.001 0.000 0.262 713 L C -1.833 174.837 176.870 -0.334 0.000 0.986 713 L CA -0.758 53.895 54.840 -0.310 0.000 0.925 713 L CB 2.302 44.196 42.059 -0.274 0.000 1.484 713 L HN 0.668 nan 8.230 nan 0.000 0.414 714 L N 1.459 122.501 121.223 -0.301 0.000 2.295 714 L HA 0.603 4.943 4.340 -0.001 0.000 0.281 714 L C 0.814 177.247 176.870 -0.729 0.000 1.018 714 L CA 0.245 54.793 54.840 -0.486 0.000 0.841 714 L CB 1.397 43.243 42.059 -0.354 0.000 1.218 714 L HN 0.745 nan 8.230 nan 0.000 0.424 715 A N 4.978 127.161 122.820 -1.062 0.000 1.940 715 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 715 A C 1.482 178.450 177.584 -1.026 0.000 1.176 715 A CA 2.163 53.529 52.037 -1.119 0.000 0.631 715 A CB -0.879 17.147 19.000 -1.622 0.000 0.814 715 A HN 0.842 nan 8.150 nan 0.000 0.446 716 F N -1.647 117.721 119.950 -0.969 0.000 2.765 716 F HA 0.480 5.007 4.527 -0.000 0.000 0.302 716 F C 0.481 176.056 175.800 -0.375 0.000 1.111 716 F CA -0.075 57.430 58.000 -0.826 0.000 1.359 716 F CB -0.757 37.643 39.000 -1.000 0.000 1.097 716 F HN 0.025 nan 8.300 nan 0.000 0.577 717 S N 0.465 116.042 115.700 -0.204 0.000 3.661 717 S HA -0.210 4.260 4.470 -0.001 0.000 0.772 717 S C 0.672 175.342 174.600 0.117 0.000 1.194 717 S CA -0.113 58.067 58.200 -0.033 0.000 1.148 717 S CB -0.366 62.848 63.200 0.023 0.000 0.564 717 S HN 0.515 nan 8.310 nan 0.000 0.482 718 Q N 0.185 120.048 119.800 0.105 0.000 2.084 718 Q HA -0.018 4.321 4.340 -0.001 0.000 0.202 718 Q C 1.178 177.366 176.000 0.312 0.000 0.978 718 Q CA 1.624 57.521 55.803 0.156 0.000 0.844 718 Q CB -0.057 28.708 28.738 0.046 0.000 0.898 718 Q HN 0.667 nan 8.270 nan 0.000 0.426 719 S N -0.088 115.786 115.700 0.290 0.000 2.451 719 S HA 0.200 4.670 4.470 -0.001 0.000 0.301 719 S C 0.804 175.579 174.600 0.291 0.000 1.116 719 S CA -0.295 58.072 58.200 0.278 0.000 1.093 719 S CB 1.176 64.537 63.200 0.268 0.000 1.017 719 S HN 0.268 nan 8.310 nan 0.000 0.482 720 S N 2.684 118.511 115.700 0.212 0.000 2.603 720 S HA 0.083 4.553 4.470 -0.001 0.000 0.220 720 S C 0.292 175.023 174.600 0.218 0.000 0.967 720 S CA -0.104 58.223 58.200 0.211 0.000 0.920 720 S CB -0.144 63.105 63.200 0.082 0.000 0.773 720 S HN 0.739 nan 8.310 nan 0.000 0.529 721 D N 2.551 123.033 120.400 0.137 0.000 2.280 721 D HA 0.283 4.923 4.640 -0.001 0.000 0.243 721 D C -2.015 174.073 176.300 -0.353 0.000 1.129 721 D CA -2.095 51.874 54.000 -0.051 0.000 0.848 721 D CB 1.844 42.625 40.800 -0.031 0.000 1.107 721 D HN -0.011 nan 8.370 nan 0.000 0.471 722 P HA -0.025 nan 4.420 nan 0.000 0.222 722 P C 1.000 177.935 177.300 -0.609 0.000 1.147 722 P CA 0.797 63.076 63.100 -1.369 0.000 0.790 722 P CB 0.328 31.551 31.700 -0.794 0.000 0.780 723 R N -1.006 119.307 120.500 -0.312 0.000 2.236 723 R HA 0.073 4.413 4.340 -0.001 0.000 0.208 723 R C 1.180 177.421 176.300 -0.098 0.000 1.036 723 R CA 0.261 56.267 56.100 -0.157 0.000 1.001 723 R CB -0.383 29.855 30.300 -0.104 0.000 0.896 723 R HN 0.117 nan 8.270 nan 0.000 0.464 724 S N 0.935 116.590 115.700 -0.074 0.000 2.564 724 S HA 0.102 4.572 4.470 -0.001 0.000 0.278 724 S C -1.686 172.886 174.600 -0.046 0.000 1.333 724 S CA -1.537 56.656 58.200 -0.012 0.000 1.048 724 S CB 0.981 64.233 63.200 0.088 0.000 0.900 724 S HN -0.086 nan 8.310 nan 0.000 0.505 725 P HA -0.049 nan 4.420 nan 0.000 0.223 725 P C -0.028 177.018 177.300 -0.424 0.000 1.144 725 P CA 1.121 64.007 63.100 -0.357 0.000 0.783 725 P CB -0.005 31.337 31.700 -0.596 0.000 0.771 726 H N -3.187 115.956 119.070 0.121 0.000 2.481 726 H HA 0.182 4.738 4.556 -0.001 0.000 0.273 726 H C 0.551 175.982 175.328 0.173 0.000 1.145 726 H CA -0.482 55.637 56.048 0.118 0.000 0.964 726 H CB -0.302 29.516 29.762 0.093 0.000 1.722 726 H HN 0.189 nan 8.280 nan 0.000 0.573 727 Y N 2.412 122.766 120.300 0.091 0.000 2.397 727 Y HA -0.010 4.540 4.550 -0.001 0.000 0.292 727 Y C 1.744 177.697 175.900 0.089 0.000 1.115 727 Y CA 0.954 59.105 58.100 0.085 0.000 1.208 727 Y CB 0.624 39.114 38.460 0.051 0.000 1.046 727 Y HN 0.178 nan 8.280 nan 0.000 0.552 728 R N -1.327 119.192 120.500 0.032 0.000 2.519 728 R HA 0.158 4.498 4.340 -0.001 0.000 0.375 728 R C 0.680 176.997 176.300 0.027 0.000 0.926 728 R CA 0.643 56.706 56.100 -0.063 0.000 1.166 728 R CB -0.589 29.661 30.300 -0.085 0.000 1.626 728 R HN 0.194 nan 8.270 nan 0.000 0.529 729 D N 1.837 122.282 120.400 0.075 0.000 2.117 729 D HA -0.219 4.421 4.640 -0.001 0.000 0.197 729 D C 1.523 177.864 176.300 0.068 0.000 0.987 729 D CA 1.238 55.290 54.000 0.087 0.000 0.829 729 D CB -0.213 40.668 40.800 0.136 0.000 0.961 729 D HN 0.392 nan 8.370 nan 0.000 0.460 730 Q N -0.383 119.442 119.800 0.042 0.000 2.378 730 Q HA 0.028 4.368 4.340 -0.001 0.000 0.205 730 Q C 1.784 177.809 176.000 0.041 0.000 0.954 730 Q CA 1.081 56.894 55.803 0.017 0.000 0.901 730 Q CB 0.066 28.770 28.738 -0.058 0.000 0.981 730 Q HN 0.346 nan 8.270 nan 0.000 0.483 731 T N 1.041 115.612 114.554 0.028 0.000 2.857 731 T HA -0.109 4.240 4.350 -0.001 0.000 0.266 731 T C 1.395 176.192 174.700 0.161 0.000 1.048 731 T CA 1.027 63.183 62.100 0.093 0.000 1.139 731 T CB -0.038 68.853 68.868 0.037 0.000 0.874 731 T HN 0.326 nan 8.240 nan 0.000 0.455 732 E N 0.999 121.261 120.200 0.104 0.000 2.085 732 E HA -0.062 4.287 4.350 -0.001 0.000 0.194 732 E C 2.132 178.798 176.600 0.109 0.000 0.994 732 E CA 0.897 57.355 56.400 0.097 0.000 0.801 732 E CB -0.319 29.424 29.700 0.072 0.000 0.743 732 E HN 0.411 nan 8.360 nan 0.000 0.453 733 L N -0.118 121.177 121.223 0.119 0.000 2.093 733 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 733 L C 2.362 179.341 176.870 0.182 0.000 1.085 733 L CA 0.644 55.562 54.840 0.130 0.000 0.755 733 L CB -0.313 41.819 42.059 0.122 0.000 0.904 733 L HN 0.134 nan 8.230 nan 0.000 0.435 734 F N 0.281 120.278 119.950 0.077 0.000 2.171 734 F HA -0.236 4.290 4.527 -0.001 0.000 0.300 734 F C 2.809 178.702 175.800 0.154 0.000 1.090 734 F CA 1.539 59.611 58.000 0.119 0.000 1.293 734 F CB -0.309 38.737 39.000 0.077 0.000 1.013 734 F HN -0.039 nan 8.300 nan 0.000 0.486 735 S N 0.252 116.003 115.700 0.085 0.000 2.359 735 S HA -0.220 4.250 4.470 -0.001 0.000 0.224 735 S C 2.064 176.637 174.600 -0.044 0.000 1.035 735 S CA 1.579 59.788 58.200 0.016 0.000 1.018 735 S CB -0.283 62.968 63.200 0.085 0.000 0.876 735 S HN 0.497 nan 8.310 nan 0.000 0.448 736 R N 0.442 120.939 120.500 -0.006 0.000 2.310 736 R HA 0.224 4.564 4.340 -0.001 0.000 0.202 736 R C 0.138 176.420 176.300 -0.031 0.000 0.933 736 R CA 0.240 56.335 56.100 -0.009 0.000 1.054 736 R CB -0.055 30.256 30.300 0.018 0.000 0.985 736 R HN 0.491 nan 8.270 nan 0.000 0.489 737 Q N 0.582 120.348 119.800 -0.056 0.000 2.451 737 Q HA -0.242 4.098 4.340 -0.001 0.000 0.305 737 Q C -0.981 175.038 176.000 0.032 0.000 1.345 737 Q CA 0.700 56.491 55.803 -0.020 0.000 0.854 737 Q CB -1.534 27.139 28.738 -0.109 0.000 1.162 737 Q HN 0.499 nan 8.270 nan 0.000 0.440 738 Q N 0.309 120.193 119.800 0.141 0.000 2.462 738 Q HA 0.225 4.565 4.340 -0.001 0.000 0.247 738 Q C -0.564 175.610 176.000 0.290 0.000 1.044 738 Q CA -0.527 55.350 55.803 0.124 0.000 0.803 738 Q CB 0.684 29.466 28.738 0.073 0.000 1.190 738 Q HN 0.168 nan 8.270 nan 0.000 0.507 739 W N 1.523 122.816 121.300 -0.011 0.000 2.129 739 W HA 0.260 4.919 4.660 -0.001 0.000 0.349 739 W C 0.515 177.017 176.519 -0.028 0.000 1.279 739 W CA -0.455 56.880 57.345 -0.018 0.000 1.306 739 W CB 0.435 29.872 29.460 -0.039 0.000 1.140 739 W HN 0.385 nan 8.180 nan 0.000 0.613 740 Q N 0.100 120.008 119.800 0.180 0.000 2.484 740 Q HA 0.350 4.690 4.340 -0.001 0.000 0.285 740 Q C -0.487 175.541 176.000 0.046 0.000 1.097 740 Q CA -0.906 54.948 55.803 0.086 0.000 0.802 740 Q CB 1.346 30.117 28.738 0.055 0.000 1.444 740 Q HN 0.249 nan 8.270 nan 0.000 0.429 741 T N 1.513 116.084 114.554 0.028 0.000 2.928 741 T HA 0.194 4.543 4.350 -0.001 0.000 0.305 741 T C 0.308 175.015 174.700 0.013 0.000 1.035 741 T CA 0.111 62.216 62.100 0.007 0.000 1.145 741 T CB 0.001 68.877 68.868 0.013 0.000 0.963 741 T HN 0.209 nan 8.240 nan 0.000 0.545 742 L N 6.548 127.774 121.223 0.006 0.000 2.287 742 L HA 0.306 4.646 4.340 -0.001 0.000 0.280 742 L C -1.871 175.085 176.870 0.142 0.000 1.055 742 L CA -2.064 52.821 54.840 0.074 0.000 0.863 742 L CB 0.512 42.631 42.059 0.100 0.000 1.245 742 L HN 0.374 nan 8.230 nan 0.000 0.432 743 P HA 0.032 nan 4.420 nan 0.000 0.276 743 P C -0.238 177.173 177.300 0.184 0.000 1.243 743 P CA -0.026 63.153 63.100 0.132 0.000 0.768 743 P CB 1.420 33.170 31.700 0.082 0.000 0.856 744 F N 2.384 122.345 119.950 0.019 0.000 2.549 744 F HA 0.093 4.620 4.527 -0.001 0.000 0.275 744 F C 1.024 176.819 175.800 -0.009 0.000 0.990 744 F CA 0.356 58.297 58.000 -0.098 0.000 1.274 744 F CB -0.156 38.888 39.000 0.072 0.000 1.064 744 F HN 0.262 nan 8.300 nan 0.000 0.715 745 S N 0.747 116.467 115.700 0.034 0.000 2.603 745 S HA 0.082 4.552 4.470 -0.001 0.000 0.268 745 S C 0.750 175.332 174.600 -0.030 0.000 1.317 745 S CA -0.242 57.933 58.200 -0.043 0.000 1.012 745 S CB 0.857 64.098 63.200 0.069 0.000 0.926 745 S HN 0.276 nan 8.310 nan 0.000 0.539 746 D N 0.989 121.366 120.400 -0.039 0.000 2.149 746 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 746 D C 1.955 178.258 176.300 0.006 0.000 0.990 746 D CA 1.256 55.247 54.000 -0.015 0.000 0.839 746 D CB -0.277 40.511 40.800 -0.020 0.000 0.948 746 D HN 0.724 nan 8.370 nan 0.000 0.460 747 R N 0.632 121.140 120.500 0.015 0.000 2.081 747 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 747 R C 2.116 178.433 176.300 0.029 0.000 1.131 747 R CA 1.276 57.389 56.100 0.022 0.000 0.960 747 R CB -0.006 30.310 30.300 0.028 0.000 0.856 747 R HN 0.224 nan 8.270 nan 0.000 0.436 748 Q N 0.128 119.952 119.800 0.039 0.000 2.079 748 Q HA -0.130 4.210 4.340 -0.001 0.000 0.200 748 Q C 2.231 178.256 176.000 0.041 0.000 0.974 748 Q CA 1.719 57.550 55.803 0.046 0.000 0.840 748 Q CB -0.063 28.717 28.738 0.070 0.000 0.898 748 Q HN 0.419 nan 8.270 nan 0.000 0.430 749 I N 0.952 121.546 120.570 0.040 0.000 2.179 749 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 749 I C 1.804 177.937 176.117 0.026 0.000 1.088 749 I CA 1.097 62.420 61.300 0.037 0.000 1.357 749 I CB -0.246 37.777 38.000 0.039 0.000 1.051 749 I HN 0.175 nan 8.210 nan 0.000 0.409 750 D N 0.882 121.295 120.400 0.021 0.000 2.218 750 D HA -0.112 4.528 4.640 -0.001 0.000 0.204 750 D C 2.112 178.423 176.300 0.019 0.000 0.976 750 D CA 1.325 55.335 54.000 0.017 0.000 0.853 750 D CB 0.105 40.913 40.800 0.013 0.000 0.939 750 D HN 0.356 nan 8.370 nan 0.000 0.481 751 A N 0.408 123.241 122.820 0.021 0.000 2.168 751 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 751 A C 0.996 178.594 177.584 0.022 0.000 1.152 751 A CA 0.218 52.268 52.037 0.021 0.000 0.716 751 A CB 0.050 19.063 19.000 0.022 0.000 0.794 751 A HN -0.025 nan 8.150 nan 0.000 0.465 752 D N 0.508 120.922 120.400 0.024 0.000 2.339 752 D HA 0.155 4.795 4.640 -0.001 0.000 0.256 752 D C -1.488 174.827 176.300 0.024 0.000 1.214 752 D CA -1.787 52.228 54.000 0.025 0.000 0.877 752 D CB 1.240 42.056 40.800 0.026 0.000 1.111 752 D HN 0.130 nan 8.370 nan 0.000 0.478 753 P HA -0.086 nan 4.420 nan 0.000 0.230 753 P C 0.584 177.902 177.300 0.029 0.000 1.158 753 P CA 0.610 63.725 63.100 0.024 0.000 0.769 753 P CB 0.520 32.234 31.700 0.023 0.000 0.807 754 Q N -0.474 119.346 119.800 0.033 0.000 2.320 754 Q HA 0.115 4.455 4.340 -0.001 0.000 0.201 754 Q C 0.700 176.722 176.000 0.037 0.000 0.910 754 Q CA -0.532 55.295 55.803 0.041 0.000 0.946 754 Q CB -0.405 28.364 28.738 0.052 0.000 1.062 754 Q HN 0.258 nan 8.270 nan 0.000 0.503 755 L N 2.216 123.457 121.223 0.029 0.000 2.601 755 L HA -0.096 4.244 4.340 -0.001 0.000 0.277 755 L C -0.262 176.624 176.870 0.026 0.000 1.219 755 L CA 1.089 55.944 54.840 0.025 0.000 0.915 755 L CB 0.213 42.284 42.059 0.020 0.000 1.160 755 L HN 0.073 nan 8.230 nan 0.000 0.494 756 Q N 4.994 124.810 119.800 0.026 0.000 2.433 756 Q HA 0.647 4.987 4.340 -0.001 0.000 0.279 756 Q C -1.102 174.910 176.000 0.020 0.000 1.105 756 Q CA -1.004 54.815 55.803 0.027 0.000 0.815 756 Q CB 2.779 31.541 28.738 0.040 0.000 1.403 756 Q HN 0.634 nan 8.270 nan 0.000 0.435 757 R N 1.375 121.885 120.500 0.017 0.000 2.584 757 R HA 0.638 4.978 4.340 -0.001 0.000 0.276 757 R C -2.233 174.073 176.300 0.011 0.000 1.046 757 R CA -0.616 55.490 56.100 0.010 0.000 0.906 757 R CB 1.376 31.679 30.300 0.005 0.000 1.215 757 R HN 0.541 nan 8.270 nan 0.000 0.449 758 L N 1.936 123.164 121.223 0.009 0.000 2.455 758 L HA 0.561 4.900 4.340 -0.001 0.000 0.264 758 L C -1.556 175.316 176.870 0.003 0.000 0.968 758 L CA -0.043 54.802 54.840 0.008 0.000 0.827 758 L CB 2.708 44.775 42.059 0.013 0.000 1.317 758 L HN 0.600 nan 8.230 nan 0.000 0.407 759 S N 5.254 120.955 115.700 0.001 0.000 2.472 759 S HA 0.828 5.297 4.470 -0.001 0.000 0.303 759 S C -0.579 174.021 174.600 -0.000 0.000 1.099 759 S CA -0.497 57.702 58.200 -0.002 0.000 1.077 759 S CB 1.021 64.219 63.200 -0.003 0.000 1.031 759 S HN 0.597 nan 8.310 nan 0.000 0.487 760 I N 0.784 121.353 120.570 -0.001 0.000 2.730 760 I HA 0.881 5.051 4.170 -0.001 0.000 0.298 760 I C -0.708 175.408 176.117 -0.003 0.000 1.089 760 I CA -1.283 60.016 61.300 -0.001 0.000 1.041 760 I CB 2.174 40.174 38.000 0.000 0.000 1.235 760 I HN 0.689 nan 8.210 nan 0.000 0.423 761 R N 2.924 123.422 120.500 -0.002 0.000 2.707 761 R HA 0.796 5.136 4.340 -0.001 0.000 0.272 761 R C -1.547 174.751 176.300 -0.003 0.000 1.011 761 R CA -0.779 55.319 56.100 -0.003 0.000 0.893 761 R CB 2.291 32.590 30.300 -0.003 0.000 1.233 761 R HN 0.895 nan 8.270 nan 0.000 0.464 762 E N 0.000 120.198 120.200 -0.004 0.000 2.725 762 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 762 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 762 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 762 E HN 0.000 nan 8.360 nan 0.000 0.440