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 3l91_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 PDGARWGDLQ 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 0.000 174.356 174.600 -0.407 0.000 1.055 217 S CA 0.000 57.893 58.200 -0.511 0.000 1.107 217 S CB 0.000 63.115 63.200 -0.142 0.000 0.593 218 N N 0.782 119.155 118.700 -0.545 0.000 2.335 218 N HA 0.851 5.591 4.740 -0.001 0.000 0.304 218 N C -0.959 174.468 175.510 -0.139 0.000 1.135 218 N CA -0.631 52.236 53.050 -0.305 0.000 0.817 218 N CB 2.094 40.187 38.487 -0.657 0.000 1.294 218 N HN 0.848 nan 8.380 nan 0.000 0.497 219 A N 1.129 123.957 122.820 0.013 0.000 2.517 219 A HA 0.725 5.045 4.320 -0.001 0.000 0.297 219 A C -1.242 176.417 177.584 0.124 0.000 1.050 219 A CA -0.559 51.509 52.037 0.052 0.000 0.694 219 A CB 0.950 19.988 19.000 0.062 0.000 1.277 219 A HN 0.583 nan 8.150 nan 0.000 0.400 220 I N 1.619 122.255 120.570 0.110 0.000 2.512 220 I HA 0.590 4.760 4.170 -0.001 0.000 0.287 220 I C 0.205 176.384 176.117 0.103 0.000 1.069 220 I CA -0.532 60.839 61.300 0.119 0.000 1.056 220 I CB 2.144 40.195 38.000 0.084 0.000 1.229 220 I HN 0.782 nan 8.210 nan 0.000 0.429 221 A N 6.411 129.315 122.820 0.140 0.000 2.318 221 A HA 0.853 5.173 4.320 -0.001 0.000 0.324 221 A C -0.773 176.904 177.584 0.155 0.000 1.170 221 A CA -0.515 51.602 52.037 0.132 0.000 0.810 221 A CB 1.310 20.394 19.000 0.139 0.000 1.198 221 A HN 0.433 nan 8.150 nan 0.000 0.484 222 V N 2.143 122.133 119.914 0.126 0.000 2.555 222 V HA 0.733 4.853 4.120 -0.001 0.000 0.302 222 V C 0.883 177.044 176.094 0.111 0.000 1.038 222 V CA 0.049 62.426 62.300 0.129 0.000 0.887 222 V CB 1.667 33.538 31.823 0.080 0.000 0.991 222 V HN 1.169 nan 8.190 nan 0.000 0.434 223 G N 1.522 110.384 108.800 0.103 0.000 2.753 223 G HA2 0.453 4.413 3.960 -0.001 0.000 0.285 223 G HA3 0.453 4.413 3.960 -0.001 0.000 0.285 223 G C 1.011 175.947 174.900 0.059 0.000 1.344 223 G CA 0.289 45.433 45.100 0.073 0.000 1.050 223 G HN 0.826 nan 8.290 nan 0.000 0.532 224 S N -1.321 114.404 115.700 0.042 0.000 2.442 224 S HA -0.086 4.384 4.470 -0.001 0.000 0.236 224 S C 1.471 176.088 174.600 0.028 0.000 1.007 224 S CA 1.648 59.867 58.200 0.033 0.000 0.965 224 S CB -0.153 63.059 63.200 0.020 0.000 0.773 224 S HN 0.652 nan 8.310 nan 0.000 0.504 225 E N 0.211 120.428 120.200 0.029 0.000 2.435 225 E HA 0.142 4.492 4.350 -0.001 0.000 0.195 225 E C 1.780 178.400 176.600 0.034 0.000 1.029 225 E CA 0.161 56.575 56.400 0.024 0.000 0.865 225 E CB 0.187 29.898 29.700 0.017 0.000 0.833 225 E HN 0.313 nan 8.360 nan 0.000 0.510 226 R N 0.101 120.630 120.500 0.048 0.000 2.435 226 R HA 0.119 4.459 4.340 -0.001 0.000 0.221 226 R C 0.865 177.181 176.300 0.028 0.000 0.885 226 R CA 0.207 56.336 56.100 0.048 0.000 1.018 226 R CB 0.449 30.805 30.300 0.094 0.000 1.259 226 R HN 0.033 nan 8.270 nan 0.000 0.597 227 S N 0.265 115.985 115.700 0.033 0.000 2.576 227 S HA 0.313 4.782 4.470 -0.001 0.000 0.276 227 S C 1.293 175.900 174.600 0.011 0.000 1.339 227 S CA 0.128 58.342 58.200 0.022 0.000 1.039 227 S CB 1.830 65.054 63.200 0.039 0.000 0.902 227 S HN 0.221 nan 8.310 nan 0.000 0.516 228 A N 1.726 124.546 122.820 -0.001 0.000 2.015 228 A HA -0.047 4.272 4.320 -0.001 0.000 0.219 228 A C 1.631 179.216 177.584 0.002 0.000 1.163 228 A CA 1.355 53.388 52.037 -0.006 0.000 0.646 228 A CB -0.699 18.290 19.000 -0.017 0.000 0.806 228 A HN 0.968 nan 8.150 nan 0.000 0.448 229 D N -2.622 117.785 120.400 0.011 0.000 2.369 229 D HA 0.258 4.898 4.640 -0.001 0.000 0.211 229 D C 1.138 177.455 176.300 0.028 0.000 1.077 229 D CA 0.761 54.772 54.000 0.019 0.000 0.842 229 D CB -0.615 40.200 40.800 0.025 0.000 0.947 229 D HN 0.703 nan 8.370 nan 0.000 0.509 230 G N 0.309 109.126 108.800 0.028 0.000 2.153 230 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.252 230 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.252 230 G C 0.145 175.069 174.900 0.041 0.000 0.994 230 G CA 0.631 45.749 45.100 0.029 0.000 0.698 230 G HN 0.521 nan 8.290 nan 0.000 0.521 231 K N -0.702 119.736 120.400 0.062 0.000 2.331 231 K HA 0.666 4.986 4.320 -0.001 0.000 0.238 231 K C 0.842 177.519 176.600 0.128 0.000 1.058 231 K CA -0.503 55.839 56.287 0.093 0.000 0.871 231 K CB 1.228 33.809 32.500 0.135 0.000 1.292 231 K HN 0.278 nan 8.250 nan 0.000 0.470 232 G N 0.486 109.399 108.800 0.189 0.000 2.539 232 G HA2 0.466 4.426 3.960 -0.001 0.000 0.258 232 G HA3 0.466 4.426 3.960 -0.001 0.000 0.258 232 G C -0.837 174.235 174.900 0.286 0.000 1.202 232 G CA -0.253 44.985 45.100 0.229 0.000 0.851 232 G HN 0.505 nan 8.290 nan 0.000 0.556 233 M N 0.936 120.641 119.600 0.175 0.000 2.413 233 M HA 0.639 5.119 4.480 -0.001 0.000 0.287 233 M C -2.274 174.058 176.300 0.053 0.000 1.186 233 M CA -0.908 54.429 55.300 0.061 0.000 0.927 233 M CB 2.288 34.896 32.600 0.012 0.000 1.715 233 M HN 0.490 nan 8.290 nan 0.000 0.478 234 L N 4.725 125.936 121.223 -0.020 0.000 2.438 234 L HA 0.699 5.039 4.340 -0.001 0.000 0.270 234 L C -2.207 174.621 176.870 -0.070 0.000 0.972 234 L CA -0.524 54.308 54.840 -0.014 0.000 0.831 234 L CB 2.062 44.123 42.059 0.003 0.000 1.273 234 L HN 0.794 nan 8.230 nan 0.000 0.405 235 L N 5.206 126.411 121.223 -0.029 0.000 2.287 235 L HA 0.883 5.223 4.340 -0.001 0.000 0.287 235 L C -0.544 176.282 176.870 -0.074 0.000 1.022 235 L CA -0.093 54.726 54.840 -0.034 0.000 0.814 235 L CB 1.328 43.423 42.059 0.060 0.000 1.217 235 L HN 0.751 nan 8.230 nan 0.000 0.420 236 A N 4.739 127.451 122.820 -0.180 0.000 2.273 236 A HA 0.486 4.805 4.320 -0.001 0.000 0.315 236 A C -0.269 177.145 177.584 -0.282 0.000 1.256 236 A CA -0.529 51.367 52.037 -0.235 0.000 0.851 236 A CB 0.170 18.975 19.000 -0.324 0.000 1.172 236 A HN 0.835 nan 8.150 nan 0.000 0.508 237 N N 4.195 122.758 118.700 -0.227 0.000 2.723 237 N HA 0.217 4.956 4.740 -0.001 0.000 0.290 237 N C -2.932 172.390 175.510 -0.313 0.000 1.882 237 N CA -1.439 51.473 53.050 -0.229 0.000 0.851 237 N CB 1.427 39.832 38.487 -0.136 0.000 1.234 237 N HN 0.371 nan 8.380 nan 0.000 0.491 238 P HA 0.004 nan 4.420 nan 0.000 0.266 238 P C -1.071 176.266 177.300 0.061 0.000 1.195 238 P CA 0.612 63.629 63.100 -0.139 0.000 0.768 238 P CB 0.595 32.268 31.700 -0.044 0.000 0.838 239 H N 1.952 121.161 119.070 0.232 0.000 2.638 239 H HA 0.480 5.035 4.556 -0.001 0.000 0.303 239 H C -0.448 175.234 175.328 0.590 0.000 1.034 239 H CA -0.445 55.810 56.048 0.345 0.000 1.225 239 H CB 0.449 30.354 29.762 0.239 0.000 1.394 239 H HN 0.313 nan 8.280 nan 0.000 0.477 240 F N 2.356 122.593 119.950 0.479 0.000 2.692 240 F HA 0.377 4.904 4.527 -0.001 0.000 0.320 240 F C -2.382 173.650 175.800 0.387 0.000 1.123 240 F CA -2.867 55.352 58.000 0.365 0.000 0.961 240 F CB 1.844 41.030 39.000 0.311 0.000 1.383 240 F HN 0.306 nan 8.300 nan 0.000 0.483 241 P HA -0.034 nan 4.420 nan 0.000 0.269 241 P C -0.196 177.254 177.300 0.251 0.000 1.209 241 P CA 0.416 63.608 63.100 0.154 0.000 0.776 241 P CB 0.459 32.106 31.700 -0.088 0.000 0.876 242 W N 1.125 122.348 121.300 -0.128 0.000 3.290 242 W HA 0.145 4.804 4.660 -0.001 0.000 0.287 242 W C 0.133 176.350 176.519 -0.503 0.000 1.288 242 W CA 0.508 57.623 57.345 -0.383 0.000 1.725 242 W CB -0.268 29.163 29.460 -0.049 0.000 1.103 242 W HN 0.274 nan 8.180 nan 0.000 0.670 243 N N -1.166 117.459 118.700 -0.126 0.000 2.416 243 N HA 0.521 5.260 4.740 -0.001 0.000 0.276 243 N C 0.260 175.696 175.510 -0.123 0.000 1.261 243 N CA 0.425 53.402 53.050 -0.121 0.000 0.790 243 N CB 2.031 40.502 38.487 -0.027 0.000 1.554 243 N HN 0.006 nan 8.380 nan 0.000 0.481 244 G N 0.454 109.190 108.800 -0.107 0.000 2.545 244 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.216 244 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.216 244 G C 0.385 175.222 174.900 -0.105 0.000 1.314 244 G CA 0.146 45.190 45.100 -0.094 0.000 0.906 244 G HN 0.748 nan 8.290 nan 0.000 0.563 245 A N -1.070 121.690 122.820 -0.100 0.000 2.209 245 A HA 0.394 4.714 4.320 -0.001 0.000 0.212 245 A C 1.812 179.331 177.584 -0.108 0.000 1.158 245 A CA 2.208 54.191 52.037 -0.090 0.000 0.742 245 A CB -0.277 18.680 19.000 -0.072 0.000 0.790 245 A HN 0.651 nan 8.150 nan 0.000 0.472 246 M N -0.596 118.910 119.600 -0.157 0.000 2.589 246 M HA 0.229 4.709 4.480 -0.001 0.000 0.344 246 M C 0.381 176.569 176.300 -0.187 0.000 1.168 246 M CA 0.023 55.203 55.300 -0.199 0.000 0.956 246 M CB -0.452 31.899 32.600 -0.415 0.000 1.370 246 M HN 0.320 nan 8.290 nan 0.000 0.518 247 R N 0.596 121.003 120.500 -0.154 0.000 2.242 247 R HA 0.298 4.638 4.340 -0.001 0.000 0.334 247 R C -0.800 175.541 176.300 0.069 0.000 1.071 247 R CA -0.140 55.871 56.100 -0.147 0.000 0.922 247 R CB 0.307 30.460 30.300 -0.245 0.000 1.023 247 R HN -0.013 nan 8.270 nan 0.000 0.458 248 F N 3.548 123.721 119.950 0.370 0.000 2.545 248 F HA -0.012 4.514 4.527 -0.001 0.000 0.348 248 F C 0.158 176.144 175.800 0.311 0.000 1.163 248 F CA 0.504 58.684 58.000 0.299 0.000 1.331 248 F CB 0.403 39.550 39.000 0.244 0.000 1.138 248 F HN 0.477 nan 8.300 nan 0.000 0.602 249 Y N 2.431 122.882 120.300 0.252 0.000 2.396 249 Y HA 0.287 4.837 4.550 -0.001 0.000 0.332 249 Y C -0.856 175.018 175.900 -0.043 0.000 1.034 249 Y CA -1.134 57.025 58.100 0.099 0.000 1.057 249 Y CB 1.064 39.568 38.460 0.073 0.000 1.220 249 Y HN 0.534 nan 8.280 nan 0.000 0.440 250 Q N 6.804 126.233 119.800 -0.619 0.000 2.327 250 Q HA 0.589 4.929 4.340 -0.001 0.000 0.254 250 Q C -0.657 175.035 176.000 -0.512 0.000 0.952 250 Q CA -0.269 55.210 55.803 -0.540 0.000 0.884 250 Q CB 1.363 29.852 28.738 -0.415 0.000 1.224 250 Q HN 0.763 nan 8.270 nan 0.000 0.422 251 M N -0.195 119.266 119.600 -0.231 0.000 2.643 251 M HA 0.419 4.899 4.480 -0.001 0.000 0.276 251 M C -1.893 174.432 176.300 0.040 0.000 1.200 251 M CA -0.948 54.312 55.300 -0.067 0.000 0.863 251 M CB 2.507 35.146 32.600 0.065 0.000 1.711 251 M HN 0.705 nan 8.290 nan 0.000 0.492 252 H N 2.346 121.395 119.070 -0.035 0.000 2.547 252 H HA 0.728 5.284 4.556 -0.001 0.000 0.342 252 H C -2.146 173.187 175.328 0.008 0.000 1.048 252 H CA -0.826 55.214 56.048 -0.013 0.000 1.204 252 H CB 1.541 31.294 29.762 -0.014 0.000 1.493 252 H HN 0.763 nan 8.280 nan 0.000 0.511 253 L N 4.853 126.137 121.223 0.103 0.000 2.341 253 L HA 0.434 4.774 4.340 -0.001 0.000 0.278 253 L C -0.544 176.306 176.870 -0.033 0.000 1.005 253 L CA -0.666 54.177 54.840 0.005 0.000 0.818 253 L CB 2.145 44.273 42.059 0.115 0.000 1.259 253 L HN 0.664 nan 8.230 nan 0.000 0.418 254 T N 3.763 118.252 114.554 -0.108 0.000 2.991 254 T HA 0.544 4.894 4.350 -0.001 0.000 0.303 254 T C -0.403 174.279 174.700 -0.029 0.000 1.015 254 T CA -0.276 61.776 62.100 -0.081 0.000 1.007 254 T CB 1.609 70.358 68.868 -0.198 0.000 1.034 254 T HN 0.310 nan 8.240 nan 0.000 0.446 255 I N 4.492 125.073 120.570 0.017 0.000 2.405 255 I HA 0.295 4.465 4.170 -0.001 0.000 0.280 255 I C -2.415 173.710 176.117 0.014 0.000 1.027 255 I CA -2.513 58.800 61.300 0.022 0.000 1.161 255 I CB 1.652 39.687 38.000 0.058 0.000 1.300 255 I HN 0.258 nan 8.210 nan 0.000 0.463 256 P HA 0.048 nan 4.420 nan 0.000 0.261 256 P C 0.943 178.248 177.300 0.009 0.000 1.183 256 P CA 0.888 63.987 63.100 -0.003 0.000 0.761 256 P CB 0.647 32.341 31.700 -0.011 0.000 0.785 257 G N 3.625 112.433 108.800 0.015 0.000 2.254 257 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.225 257 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.225 257 G C 0.789 175.702 174.900 0.021 0.000 1.003 257 G CA 0.344 45.455 45.100 0.019 0.000 0.622 257 G HN 0.654 nan 8.290 nan 0.000 0.507 258 R N -1.238 119.276 120.500 0.022 0.000 2.591 258 R HA 0.647 4.986 4.340 -0.001 0.000 0.288 258 R C 0.027 176.333 176.300 0.011 0.000 0.947 258 R CA 0.234 56.343 56.100 0.015 0.000 1.085 258 R CB 0.409 30.714 30.300 0.009 0.000 1.618 258 R HN 0.851 nan 8.270 nan 0.000 0.524 259 L N 1.352 122.596 121.223 0.034 0.000 2.505 259 L HA 0.585 4.924 4.340 -0.001 0.000 0.266 259 L C -2.311 174.611 176.870 0.087 0.000 0.954 259 L CA -0.251 54.620 54.840 0.052 0.000 0.852 259 L CB 2.597 44.698 42.059 0.071 0.000 1.282 259 L HN 0.148 nan 8.230 nan 0.000 0.403 260 D N 3.685 124.171 120.400 0.143 0.000 2.354 260 D HA 0.507 5.146 4.640 -0.001 0.000 0.230 260 D C -2.016 174.510 176.300 0.377 0.000 1.361 260 D CA 0.098 54.230 54.000 0.221 0.000 0.992 260 D CB 1.786 42.690 40.800 0.173 0.000 1.409 260 D HN 0.423 nan 8.370 nan 0.000 0.573 261 V N 4.437 124.586 119.914 0.391 0.000 2.932 261 V HA 0.768 4.888 4.120 -0.001 0.000 0.307 261 V C -1.541 174.681 176.094 0.214 0.000 1.147 261 V CA -0.621 61.849 62.300 0.284 0.000 0.951 261 V CB 2.056 34.041 31.823 0.269 0.000 1.031 261 V HN 0.616 nan 8.190 nan 0.000 0.426 262 M N 5.326 124.797 119.600 -0.215 0.000 2.446 262 M HA 0.869 5.349 4.480 -0.001 0.000 0.294 262 M C -0.185 175.878 176.300 -0.395 0.000 1.158 262 M CA 0.562 55.670 55.300 -0.321 0.000 0.899 262 M CB 2.102 34.357 32.600 -0.574 0.000 1.687 262 M HN 1.087 nan 8.290 nan 0.000 0.455 263 G N 2.028 110.693 108.800 -0.225 0.000 2.593 263 G HA2 0.606 4.566 3.960 -0.001 0.000 0.103 263 G HA3 0.606 4.566 3.960 -0.001 0.000 0.103 263 G C -2.118 172.418 174.900 -0.606 0.000 1.103 263 G CA 0.012 44.929 45.100 -0.304 0.000 1.109 263 G HN 1.097 nan 8.290 nan 0.000 0.516 264 A N -0.502 121.876 122.820 -0.736 0.000 2.435 264 A HA 0.923 5.243 4.320 -0.001 0.000 0.304 264 A C -0.040 177.490 177.584 -0.090 0.000 1.064 264 A CA 0.554 52.215 52.037 -0.626 0.000 0.727 264 A CB 1.613 19.859 19.000 -1.256 0.000 1.284 264 A HN 2.125 nan 8.150 nan 0.000 0.415 265 S N 0.980 116.757 115.700 0.129 0.000 2.677 265 S HA 0.871 5.340 4.470 -0.001 0.000 0.304 265 S C -0.617 174.126 174.600 0.238 0.000 1.108 265 S CA -0.728 57.587 58.200 0.192 0.000 0.944 265 S CB 0.948 64.240 63.200 0.154 0.000 1.127 265 S HN 0.660 nan 8.310 nan 0.000 0.511 266 L N 0.916 122.187 121.223 0.080 0.000 2.334 266 L HA 0.541 4.881 4.340 -0.001 0.000 0.272 266 L C -2.534 174.327 176.870 -0.016 0.000 1.020 266 L CA -2.709 52.124 54.840 -0.012 0.000 0.812 266 L CB 1.394 43.396 42.059 -0.095 0.000 1.264 266 L HN 0.449 nan 8.230 nan 0.000 0.439 267 P HA 0.039 nan 4.420 nan 0.000 0.261 267 P C 0.689 177.952 177.300 -0.062 0.000 1.183 267 P CA 0.834 63.896 63.100 -0.063 0.000 0.761 267 P CB 0.555 32.213 31.700 -0.070 0.000 0.785 268 G N 2.469 111.227 108.800 -0.070 0.000 2.199 268 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.254 268 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.254 268 G C -0.167 174.706 174.900 -0.045 0.000 0.982 268 G CA -0.344 44.721 45.100 -0.058 0.000 0.632 268 G HN 0.479 nan 8.290 nan 0.000 0.529 269 L N 1.753 122.952 121.223 -0.040 0.000 2.276 269 L HA 0.413 4.753 4.340 -0.001 0.000 0.286 269 L C -1.710 175.154 176.870 -0.009 0.000 1.024 269 L CA -1.977 52.843 54.840 -0.033 0.000 0.826 269 L CB 1.713 43.738 42.059 -0.057 0.000 1.211 269 L HN -0.068 nan 8.230 nan 0.000 0.422 270 P HA 0.090 nan 4.420 nan 0.000 0.226 270 P C -0.565 176.753 177.300 0.029 0.000 1.758 270 P CA 0.084 63.183 63.100 -0.002 0.000 0.896 270 P CB 0.046 31.722 31.700 -0.041 0.000 1.784 271 V N -3.557 116.405 119.914 0.081 0.000 3.049 271 V HA 0.486 4.606 4.120 -0.001 0.000 0.309 271 V C -0.284 175.932 176.094 0.203 0.000 1.148 271 V CA -1.255 61.154 62.300 0.181 0.000 0.990 271 V CB 2.053 34.029 31.823 0.254 0.000 1.039 271 V HN -0.247 nan 8.190 nan 0.000 0.430 272 V N 3.327 123.422 119.914 0.302 0.000 2.488 272 V HA 0.229 4.349 4.120 -0.001 0.000 0.277 272 V C 1.397 177.781 176.094 0.484 0.000 1.046 272 V CA 0.380 62.869 62.300 0.316 0.000 0.986 272 V CB 0.668 32.686 31.823 0.326 0.000 0.989 272 V HN 1.078 nan 8.190 nan 0.000 0.475 273 N N 4.577 123.450 118.700 0.288 0.000 2.305 273 N HA 0.112 4.852 4.740 -0.001 0.000 0.179 273 N C 0.258 176.152 175.510 0.639 0.000 1.019 273 N CA 0.741 53.950 53.050 0.265 0.000 0.869 273 N CB 0.399 38.928 38.487 0.071 0.000 1.000 273 N HN 0.589 nan 8.380 nan 0.000 0.431 274 I N 0.356 121.009 120.570 0.137 0.000 2.499 274 I HA 0.470 4.639 4.170 -0.001 0.000 0.288 274 I C 0.213 175.927 176.117 -0.672 0.000 1.048 274 I CA -0.695 60.384 61.300 -0.368 0.000 1.062 274 I CB 2.150 40.007 38.000 -0.238 0.000 1.238 274 I HN 0.110 nan 8.210 nan 0.000 0.426 275 G N 5.136 113.062 108.800 -1.456 0.000 2.435 275 G HA2 0.639 4.598 3.960 -0.001 0.000 0.296 275 G HA3 0.639 4.598 3.960 -0.001 0.000 0.296 275 G C -1.785 172.755 174.900 -0.600 0.000 1.240 275 G CA -0.502 44.097 45.100 -0.836 0.000 0.872 275 G HN 0.573 nan 8.290 nan 0.000 0.480 276 F N -0.753 119.012 119.950 -0.308 0.000 2.713 276 F HA 0.873 5.400 4.527 -0.001 0.000 0.311 276 F C -0.124 175.646 175.800 -0.050 0.000 1.141 276 F CA -0.427 57.520 58.000 -0.089 0.000 0.939 276 F CB 1.579 40.446 39.000 -0.223 0.000 1.325 276 F HN 1.014 nan 8.300 nan 0.000 0.453 277 S N 0.551 116.307 115.700 0.094 0.000 2.911 277 S HA 0.470 4.939 4.470 -0.001 0.000 0.319 277 S C 0.612 175.222 174.600 0.017 0.000 1.154 277 S CA -0.637 57.543 58.200 -0.033 0.000 0.857 277 S CB 1.651 64.952 63.200 0.169 0.000 1.279 277 S HN 1.042 nan 8.310 nan 0.000 0.593 278 R N 0.096 120.638 120.500 0.071 0.000 2.105 278 R HA -0.109 4.230 4.340 -0.001 0.000 0.239 278 R C 0.863 177.023 176.300 -0.233 0.000 1.135 278 R CA 1.913 57.973 56.100 -0.068 0.000 0.967 278 R CB -0.339 29.840 30.300 -0.200 0.000 0.861 278 R HN 0.761 nan 8.270 nan 0.000 0.442 279 H N -1.867 117.253 119.070 0.084 0.000 3.058 279 H HA 0.217 4.773 4.556 -0.001 0.000 0.266 279 H C -0.663 174.387 175.328 -0.464 0.000 1.135 279 H CA -0.197 55.713 56.048 -0.229 0.000 1.174 279 H CB 0.892 30.555 29.762 -0.165 0.000 1.581 279 H HN 0.085 nan 8.280 nan 0.000 0.553 280 L N 0.891 122.155 121.223 0.069 0.000 2.445 280 L HA 0.728 5.068 4.340 -0.001 0.000 0.262 280 L C -1.513 175.675 176.870 0.531 0.000 0.974 280 L CA -0.784 54.172 54.840 0.193 0.000 0.822 280 L CB 1.992 44.156 42.059 0.175 0.000 1.339 280 L HN 0.012 nan 8.230 nan 0.000 0.409 281 A N 3.113 126.255 122.820 0.537 0.000 2.414 281 A HA 0.898 5.217 4.320 -0.001 0.000 0.306 281 A C -1.865 175.932 177.584 0.355 0.000 1.054 281 A CA -0.296 51.978 52.037 0.396 0.000 0.724 281 A CB 1.003 20.120 19.000 0.196 0.000 1.267 281 A HN 1.053 nan 8.150 nan 0.000 0.418 282 W N 0.637 121.977 121.300 0.066 0.000 3.062 282 W HA 0.826 5.485 4.660 -0.001 0.000 0.336 282 W C -0.733 175.728 176.519 -0.098 0.000 1.224 282 W CA -0.335 56.990 57.345 -0.034 0.000 1.159 282 W CB 1.081 30.495 29.460 -0.076 0.000 1.454 282 W HN 0.874 nan 8.180 nan 0.000 0.569 283 T N -0.009 114.407 114.554 -0.230 0.000 2.681 283 T HA 0.516 4.866 4.350 -0.001 0.000 0.296 283 T C -1.821 172.662 174.700 -0.361 0.000 1.157 283 T CA -0.499 61.384 62.100 -0.362 0.000 1.025 283 T CB 1.144 69.878 68.868 -0.222 0.000 1.441 283 T HN 0.671 nan 8.240 nan 0.000 0.504 284 H N 0.375 119.522 119.070 0.128 0.000 2.895 284 H HA 0.624 5.179 4.556 -0.001 0.000 0.373 284 H C -0.602 174.784 175.328 0.096 0.000 1.174 284 H CA -0.441 55.705 56.048 0.164 0.000 1.144 284 H CB 1.941 31.843 29.762 0.233 0.000 1.793 284 H HN 0.841 nan 8.280 nan 0.000 0.551 285 T N -1.742 112.973 114.554 0.268 0.000 2.903 285 T HA 0.403 4.753 4.350 -0.001 0.000 0.299 285 T C -0.241 174.629 174.700 0.283 0.000 1.093 285 T CA -0.833 61.393 62.100 0.210 0.000 1.002 285 T CB 1.363 70.333 68.868 0.170 0.000 1.127 285 T HN 0.205 nan 8.240 nan 0.000 0.488 286 V N 3.585 123.688 119.914 0.314 0.000 2.599 286 V HA 0.233 4.352 4.120 -0.001 0.000 0.300 286 V C 0.661 176.951 176.094 0.326 0.000 1.034 286 V CA 0.034 62.570 62.300 0.394 0.000 1.115 286 V CB -0.149 31.916 31.823 0.403 0.000 0.934 286 V HN 1.102 nan 8.190 nan 0.000 0.485 287 D N 2.888 123.505 120.400 0.360 0.000 2.466 287 D HA 0.253 4.893 4.640 -0.001 0.000 0.262 287 D C 0.957 177.422 176.300 0.276 0.000 1.177 287 D CA 0.019 54.205 54.000 0.311 0.000 1.035 287 D CB 0.868 41.855 40.800 0.311 0.000 1.105 287 D HN 0.545 nan 8.370 nan 0.000 0.551 288 T N -3.539 111.137 114.554 0.204 0.000 3.069 288 T HA 0.210 4.559 4.350 -0.001 0.000 0.252 288 T C 0.438 175.179 174.700 0.070 0.000 1.053 288 T CA -0.523 61.661 62.100 0.141 0.000 0.964 288 T CB -0.497 68.439 68.868 0.113 0.000 1.005 288 T HN 0.235 nan 8.240 nan 0.000 0.532 289 S N 2.287 118.019 115.700 0.053 0.000 2.579 289 S HA 0.396 4.866 4.470 -0.001 0.000 0.275 289 S C 0.331 174.703 174.600 -0.380 0.000 1.345 289 S CA -0.592 57.523 58.200 -0.142 0.000 1.031 289 S CB 0.809 63.922 63.200 -0.145 0.000 0.892 289 S HN 0.464 nan 8.310 nan 0.000 0.529 290 S N 1.647 117.084 115.700 -0.437 0.000 2.537 290 S HA 0.230 4.699 4.470 -0.001 0.000 0.275 290 S C 0.360 174.565 174.600 -0.658 0.000 1.272 290 S CA -0.633 57.272 58.200 -0.493 0.000 1.050 290 S CB 0.164 63.085 63.200 -0.464 0.000 0.961 290 S HN 0.686 nan 8.310 nan 0.000 0.496 291 H N 1.940 121.045 119.070 0.059 0.000 2.674 291 H HA 0.289 4.845 4.556 -0.001 0.000 0.274 291 H C -0.362 175.149 175.328 0.305 0.000 1.121 291 H CA 0.023 56.182 56.048 0.184 0.000 1.132 291 H CB 0.115 30.064 29.762 0.312 0.000 1.606 291 H HN 0.659 nan 8.280 nan 0.000 0.558 292 F N -0.601 119.418 119.950 0.115 0.000 2.741 292 F HA 0.574 5.101 4.527 -0.001 0.000 0.313 292 F C -0.996 174.891 175.800 0.144 0.000 1.153 292 F CA -1.223 56.907 58.000 0.218 0.000 0.931 292 F CB 1.483 40.600 39.000 0.195 0.000 1.335 292 F HN -0.162 nan 8.300 nan 0.000 0.460 293 T N 0.194 114.933 114.554 0.309 0.000 2.893 293 T HA 0.683 5.032 4.350 -0.001 0.000 0.293 293 T C -0.947 173.851 174.700 0.164 0.000 1.027 293 T CA -0.801 61.291 62.100 -0.013 0.000 0.988 293 T CB 1.593 70.429 68.868 -0.053 0.000 1.043 293 T HN 0.883 nan 8.240 nan 0.000 0.461 294 L N 2.205 123.456 121.223 0.046 0.000 2.436 294 L HA 0.435 4.774 4.340 -0.001 0.000 0.265 294 L C -0.768 176.003 176.870 -0.166 0.000 1.168 294 L CA -0.842 54.038 54.840 0.066 0.000 0.815 294 L CB 0.440 42.537 42.059 0.064 0.000 1.109 294 L HN 0.690 nan 8.230 nan 0.000 0.462 295 Y N 1.459 121.705 120.300 -0.090 0.000 2.338 295 Y HA 0.348 4.898 4.550 -0.001 0.000 0.333 295 Y C 0.036 175.738 175.900 -0.329 0.000 0.968 295 Y CA -0.650 57.262 58.100 -0.313 0.000 1.123 295 Y CB 1.601 39.596 38.460 -0.776 0.000 1.165 295 Y HN 0.451 nan 8.280 nan 0.000 0.452 296 R N 4.972 125.333 120.500 -0.231 0.000 2.248 296 R HA 0.403 4.742 4.340 -0.001 0.000 0.328 296 R C -1.285 174.793 176.300 -0.370 0.000 1.067 296 R CA -0.203 55.535 56.100 -0.604 0.000 0.924 296 R CB 0.226 30.239 30.300 -0.478 0.000 1.013 296 R HN 0.715 nan 8.270 nan 0.000 0.454 297 L N 3.710 124.685 121.223 -0.414 0.000 2.350 297 L HA 0.436 4.776 4.340 -0.001 0.000 0.275 297 L C 0.270 177.055 176.870 -0.142 0.000 1.099 297 L CA -0.808 53.908 54.840 -0.208 0.000 0.808 297 L CB 1.607 43.505 42.059 -0.268 0.000 1.149 297 L HN 0.689 nan 8.230 nan 0.000 0.442 298 A N 4.834 127.643 122.820 -0.018 0.000 2.252 298 A HA 0.593 4.913 4.320 -0.001 0.000 0.309 298 A C -0.232 177.388 177.584 0.059 0.000 1.285 298 A CA -0.523 51.517 52.037 0.006 0.000 0.900 298 A CB 0.207 19.218 19.000 0.018 0.000 1.157 298 A HN 0.649 nan 8.150 nan 0.000 0.536 299 L N 1.691 122.945 121.223 0.052 0.000 2.418 299 L HA 0.183 4.523 4.340 -0.001 0.000 0.265 299 L C 0.581 177.496 176.870 0.074 0.000 1.143 299 L CA -0.806 54.091 54.840 0.095 0.000 0.809 299 L CB 0.558 42.688 42.059 0.119 0.000 1.124 299 L HN 0.671 nan 8.230 nan 0.000 0.456 300 D N 4.010 124.455 120.400 0.074 0.000 2.472 300 D HA -0.008 4.632 4.640 -0.001 0.000 0.248 300 D C -1.473 174.854 176.300 0.045 0.000 1.174 300 D CA -1.383 52.642 54.000 0.042 0.000 0.883 300 D CB 1.282 42.101 40.800 0.032 0.000 1.149 300 D HN 0.253 nan 8.370 nan 0.000 0.488 301 P HA -0.114 nan 4.420 nan 0.000 0.225 301 P C 0.609 177.925 177.300 0.026 0.000 1.148 301 P CA 1.010 64.127 63.100 0.029 0.000 0.779 301 P CB 0.336 32.048 31.700 0.020 0.000 0.780 302 K N -1.184 119.230 120.400 0.023 0.000 2.379 302 K HA 0.055 4.374 4.320 -0.001 0.000 0.194 302 K C 0.269 176.884 176.600 0.025 0.000 1.031 302 K CA 0.312 56.610 56.287 0.019 0.000 1.037 302 K CB 0.273 32.780 32.500 0.012 0.000 0.824 302 K HN 0.024 nan 8.250 nan 0.000 0.516 303 D N -0.271 120.152 120.400 0.039 0.000 2.419 303 D HA 0.069 4.709 4.640 -0.001 0.000 0.219 303 D C -2.468 173.885 176.300 0.089 0.000 1.349 303 D CA -1.599 52.432 54.000 0.051 0.000 0.964 303 D CB 1.745 42.573 40.800 0.047 0.000 1.463 303 D HN -0.202 nan 8.370 nan 0.000 0.573 304 P HA 0.072 nan 4.420 nan 0.000 0.242 304 P C 0.594 178.080 177.300 0.311 0.000 1.197 304 P CA 0.157 63.371 63.100 0.189 0.000 0.765 304 P CB 0.284 32.052 31.700 0.113 0.000 0.936 305 R N -0.384 120.243 120.500 0.211 0.000 2.427 305 R HA 0.238 4.578 4.340 -0.001 0.000 0.262 305 R C 0.673 177.122 176.300 0.248 0.000 0.943 305 R CA -0.068 56.192 56.100 0.267 0.000 1.081 305 R CB 0.342 30.756 30.300 0.191 0.000 1.166 305 R HN 0.184 nan 8.270 nan 0.000 0.534 306 R N 0.274 120.898 120.500 0.206 0.000 2.807 306 R HA 0.370 4.710 4.340 -0.001 0.000 0.276 306 R C -1.282 175.141 176.300 0.204 0.000 0.979 306 R CA -0.895 55.302 56.100 0.162 0.000 0.928 306 R CB 1.792 32.121 30.300 0.047 0.000 1.191 306 R HN -0.024 nan 8.270 nan 0.000 0.471 307 Y N -1.129 119.172 120.300 0.000 0.000 2.581 307 Y HA 0.632 5.182 4.550 -0.001 0.000 0.345 307 Y C -1.315 174.575 175.900 -0.017 0.000 1.036 307 Y CA -1.478 56.612 58.100 -0.017 0.000 1.042 307 Y CB 1.328 39.762 38.460 -0.043 0.000 1.289 307 Y HN 0.271 nan 8.280 nan 0.000 0.471 308 L N 3.426 124.670 121.223 0.035 0.000 2.295 308 L HA 0.718 5.058 4.340 -0.001 0.000 0.285 308 L C -0.951 175.924 176.870 0.010 0.000 1.035 308 L CA -1.205 53.611 54.840 -0.040 0.000 0.806 308 L CB 1.601 43.659 42.059 -0.000 0.000 1.214 308 L HN 0.553 nan 8.230 nan 0.000 0.426 309 V N 1.914 121.793 119.914 -0.058 0.000 2.483 309 V HA 0.253 4.373 4.120 -0.001 0.000 0.297 309 V C -0.557 175.524 176.094 -0.021 0.000 1.027 309 V CA -0.606 61.693 62.300 -0.001 0.000 0.855 309 V CB 1.511 33.324 31.823 -0.017 0.000 0.995 309 V HN 0.823 nan 8.190 nan 0.000 0.424 310 D N 4.141 124.544 120.400 0.005 0.000 2.708 310 D HA -0.194 4.446 4.640 -0.001 0.000 0.236 310 D C 1.355 177.646 176.300 -0.014 0.000 1.146 310 D CA 1.878 55.877 54.000 -0.002 0.000 0.662 310 D CB -1.155 39.641 40.800 -0.007 0.000 1.059 310 D HN 1.474 nan 8.370 nan 0.000 0.428 311 G N -0.450 108.341 108.800 -0.014 0.000 2.179 311 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.260 311 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.260 311 G C 0.356 175.234 174.900 -0.036 0.000 0.977 311 G CA 0.452 45.541 45.100 -0.019 0.000 0.641 311 G HN 0.655 nan 8.290 nan 0.000 0.533 312 R N 0.749 121.215 120.500 -0.056 0.000 2.346 312 R HA 0.564 4.903 4.340 -0.001 0.000 0.311 312 R C 0.040 176.266 176.300 -0.124 0.000 0.983 312 R CA 0.135 56.187 56.100 -0.079 0.000 0.880 312 R CB 0.964 31.214 30.300 -0.084 0.000 1.100 312 R HN 0.179 nan 8.270 nan 0.000 0.453 313 S N 5.255 120.886 115.700 -0.116 0.000 2.474 313 S HA 0.308 4.778 4.470 -0.001 0.000 0.276 313 S C -0.266 174.205 174.600 -0.215 0.000 1.227 313 S CA -0.553 57.558 58.200 -0.150 0.000 1.050 313 S CB 0.161 63.312 63.200 -0.083 0.000 0.939 313 S HN 0.470 nan 8.310 nan 0.000 0.490 314 L N 7.243 128.230 121.223 -0.394 0.000 2.334 314 L HA 0.593 4.932 4.340 -0.001 0.000 0.276 314 L C -2.134 174.538 176.870 -0.331 0.000 1.014 314 L CA -2.500 52.072 54.840 -0.446 0.000 0.815 314 L CB 2.183 43.785 42.059 -0.761 0.000 1.268 314 L HN 0.488 nan 8.230 nan 0.000 0.428 315 P HA 0.225 nan 4.420 nan 0.000 0.284 315 P C -0.716 176.690 177.300 0.177 0.000 1.253 315 P CA -0.450 62.673 63.100 0.037 0.000 0.800 315 P CB 1.115 32.837 31.700 0.036 0.000 0.961 316 L N 0.969 122.369 121.223 0.296 0.000 2.461 316 L HA 0.290 4.630 4.340 -0.001 0.000 0.272 316 L C 1.497 178.500 176.870 0.222 0.000 1.197 316 L CA 0.080 55.111 54.840 0.318 0.000 0.836 316 L CB -0.166 42.112 42.059 0.365 0.000 1.105 316 L HN 0.463 nan 8.230 nan 0.000 0.477 317 E N 2.581 122.875 120.200 0.157 0.000 2.319 317 E HA 0.421 4.770 4.350 -0.001 0.000 0.268 317 E C -0.733 175.892 176.600 0.041 0.000 1.050 317 E CA -0.611 55.836 56.400 0.080 0.000 0.878 317 E CB 0.838 30.561 29.700 0.039 0.000 1.066 317 E HN 0.705 nan 8.360 nan 0.000 0.406 318 E N 0.301 120.476 120.200 -0.042 0.000 2.187 318 E HA 0.479 4.829 4.350 -0.001 0.000 0.268 318 E C -0.996 175.535 176.600 -0.115 0.000 0.896 318 E CA -0.990 55.300 56.400 -0.184 0.000 0.766 318 E CB 1.840 31.380 29.700 -0.267 0.000 1.142 318 E HN 0.302 nan 8.360 nan 0.000 0.408 319 K N 1.547 121.880 120.400 -0.112 0.000 2.450 319 K HA 0.357 4.677 4.320 -0.001 0.000 0.257 319 K C -1.313 175.253 176.600 -0.057 0.000 0.953 319 K CA -0.461 55.792 56.287 -0.057 0.000 0.844 319 K CB 1.470 33.957 32.500 -0.021 0.000 1.103 319 K HN 0.327 nan 8.250 nan 0.000 0.429 320 S N 2.488 118.160 115.700 -0.046 0.000 2.508 320 S HA 0.551 5.020 4.470 -0.001 0.000 0.284 320 S C -0.670 173.935 174.600 0.008 0.000 1.192 320 S CA -0.742 57.442 58.200 -0.026 0.000 1.070 320 S CB 0.981 64.158 63.200 -0.039 0.000 1.004 320 S HN 0.499 nan 8.310 nan 0.000 0.493 321 V N 0.072 120.011 119.914 0.040 0.000 2.815 321 V HA 1.015 5.135 4.120 -0.001 0.000 0.314 321 V C -0.277 175.844 176.094 0.044 0.000 1.064 321 V CA -1.182 61.141 62.300 0.039 0.000 0.952 321 V CB 1.306 33.154 31.823 0.042 0.000 1.020 321 V HN 0.918 nan 8.190 nan 0.000 0.439 322 A N 4.827 127.663 122.820 0.027 0.000 2.343 322 A HA 0.898 5.218 4.320 -0.001 0.000 0.316 322 A C -0.815 176.779 177.584 0.018 0.000 1.104 322 A CA -0.649 51.403 52.037 0.025 0.000 0.768 322 A CB 1.006 20.015 19.000 0.015 0.000 1.213 322 A HN 0.757 nan 8.150 nan 0.000 0.456 323 I N 1.793 122.374 120.570 0.018 0.000 2.509 323 I HA 0.374 4.543 4.170 -0.001 0.000 0.293 323 I C -0.260 175.861 176.117 0.007 0.000 1.020 323 I CA -0.623 60.682 61.300 0.008 0.000 1.088 323 I CB 1.786 39.788 38.000 0.003 0.000 1.267 323 I HN 0.610 nan 8.210 nan 0.000 0.430 324 E N 4.621 124.822 120.200 0.002 0.000 2.249 324 E HA 0.459 4.808 4.350 -0.001 0.000 0.280 324 E C -0.860 175.740 176.600 -0.001 0.000 1.016 324 E CA -0.498 55.903 56.400 0.001 0.000 0.830 324 E CB 2.493 32.192 29.700 -0.001 0.000 1.081 324 E HN 0.217 nan 8.360 nan 0.000 0.395 325 V N 3.414 123.328 119.914 0.000 0.000 2.487 325 V HA 0.294 4.414 4.120 -0.001 0.000 0.298 325 V C 0.326 176.419 176.094 -0.002 0.000 1.028 325 V CA -0.845 61.455 62.300 -0.001 0.000 0.860 325 V CB 1.871 33.695 31.823 0.001 0.000 0.991 325 V HN 0.504 nan 8.190 nan 0.000 0.427 326 R N 2.851 123.348 120.500 -0.004 0.000 2.316 326 R HA 0.502 4.841 4.340 -0.001 0.000 0.314 326 R C 0.518 176.816 176.300 -0.003 0.000 1.069 326 R CA 0.105 56.202 56.100 -0.004 0.000 0.959 326 R CB 0.727 31.024 30.300 -0.005 0.000 0.987 326 R HN 0.943 nan 8.270 nan 0.000 0.446 327 G N 1.675 110.474 108.800 -0.003 0.000 2.557 327 G HA2 0.337 4.297 3.960 -0.001 0.000 0.292 327 G HA3 0.337 4.297 3.960 -0.001 0.000 0.292 327 G C 0.759 175.658 174.900 -0.003 0.000 1.237 327 G CA -0.030 45.068 45.100 -0.002 0.000 0.978 327 G HN 0.760 nan 8.290 nan 0.000 0.498 328 A N -0.014 122.804 122.820 -0.003 0.000 1.948 328 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 328 A C 1.910 179.492 177.584 -0.003 0.000 1.177 328 A CA 2.465 54.500 52.037 -0.003 0.000 0.636 328 A CB -0.550 18.448 19.000 -0.003 0.000 0.815 328 A HN 0.664 nan 8.150 nan 0.000 0.449 329 D N -2.365 118.033 120.400 -0.002 0.000 2.363 329 D HA 0.254 4.894 4.640 -0.001 0.000 0.220 329 D C 1.245 177.543 176.300 -0.003 0.000 0.994 329 D CA 1.102 55.101 54.000 -0.002 0.000 0.890 329 D CB -0.636 40.163 40.800 -0.002 0.000 0.906 329 D HN 0.902 nan 8.370 nan 0.000 0.530 330 G N -0.264 108.534 108.800 -0.003 0.000 2.176 330 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.253 330 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.253 330 G C 0.212 175.110 174.900 -0.003 0.000 0.979 330 G CA 0.238 45.336 45.100 -0.004 0.000 0.641 330 G HN 0.492 nan 8.290 nan 0.000 0.530 331 K N -0.202 120.196 120.400 -0.003 0.000 2.106 331 K HA 0.731 5.050 4.320 -0.001 0.000 0.246 331 K C 0.320 176.919 176.600 -0.002 0.000 0.987 331 K CA -0.763 55.522 56.287 -0.002 0.000 0.904 331 K CB 1.303 33.802 32.500 -0.002 0.000 1.071 331 K HN 0.141 nan 8.250 nan 0.000 0.453 332 L N 1.243 122.465 121.223 -0.002 0.000 2.312 332 L HA 0.287 4.627 4.340 -0.001 0.000 0.281 332 L C -0.196 176.675 176.870 0.000 0.000 1.070 332 L CA -0.401 54.438 54.840 -0.001 0.000 0.805 332 L CB 1.618 43.676 42.059 -0.002 0.000 1.174 332 L HN 0.563 nan 8.230 nan 0.000 0.434 333 S N 2.050 117.751 115.700 0.001 0.000 2.532 333 S HA 0.515 4.985 4.470 -0.001 0.000 0.301 333 S C -0.561 174.042 174.600 0.005 0.000 1.083 333 S CA -0.762 57.440 58.200 0.003 0.000 1.025 333 S CB 2.150 65.352 63.200 0.004 0.000 1.056 333 S HN 0.517 nan 8.310 nan 0.000 0.494 334 R N 1.831 122.335 120.500 0.006 0.000 2.265 334 R HA 0.571 4.911 4.340 -0.001 0.000 0.319 334 R C -1.577 174.731 176.300 0.014 0.000 1.006 334 R CA -0.294 55.811 56.100 0.009 0.000 0.880 334 R CB 0.490 30.794 30.300 0.007 0.000 1.077 334 R HN 0.455 nan 8.270 nan 0.000 0.454 335 V N 4.605 124.531 119.914 0.021 0.000 2.417 335 V HA 0.288 4.408 4.120 -0.001 0.000 0.291 335 V C -0.398 175.724 176.094 0.047 0.000 1.024 335 V CA -0.697 61.624 62.300 0.034 0.000 0.861 335 V CB 1.690 33.537 31.823 0.039 0.000 0.985 335 V HN 0.827 nan 8.190 nan 0.000 0.436 336 E N 2.773 123.002 120.200 0.049 0.000 2.179 336 E HA 0.562 4.911 4.350 -0.001 0.000 0.275 336 E C -1.243 175.410 176.600 0.088 0.000 0.945 336 E CA -0.668 55.763 56.400 0.053 0.000 0.792 336 E CB 2.152 31.863 29.700 0.018 0.000 1.125 336 E HN 0.756 nan 8.360 nan 0.000 0.397 337 H N 1.389 120.458 119.070 -0.003 0.000 2.667 337 H HA 0.278 4.833 4.556 -0.001 0.000 0.353 337 H C -1.261 174.059 175.328 -0.015 0.000 1.072 337 H CA -0.809 55.242 56.048 0.004 0.000 1.214 337 H CB 1.229 31.000 29.762 0.015 0.000 1.600 337 H HN 0.230 nan 8.280 nan 0.000 0.527 338 K N 4.408 124.588 120.400 -0.367 0.000 2.227 338 K HA 0.414 4.733 4.320 -0.001 0.000 0.280 338 K C -1.246 175.255 176.600 -0.164 0.000 1.041 338 K CA -0.686 55.442 56.287 -0.265 0.000 0.905 338 K CB 0.799 33.091 32.500 -0.347 0.000 1.068 338 K HN 0.357 nan 8.250 nan 0.000 0.470 339 V N 5.974 125.851 119.914 -0.062 0.000 2.347 339 V HA 0.221 4.341 4.120 -0.001 0.000 0.280 339 V C -0.817 175.255 176.094 -0.037 0.000 1.021 339 V CA -0.802 61.537 62.300 0.066 0.000 0.847 339 V CB 0.387 32.276 31.823 0.110 0.000 0.990 339 V HN 0.641 nan 8.190 nan 0.000 0.444 340 Y N 3.576 123.956 120.300 0.134 0.000 2.319 340 Y HA 0.486 5.036 4.550 -0.001 0.000 0.328 340 Y C 0.699 176.615 175.900 0.027 0.000 1.133 340 Y CA 0.040 58.209 58.100 0.116 0.000 1.265 340 Y CB 0.950 39.554 38.460 0.240 0.000 1.218 340 Y HN 0.563 nan 8.280 nan 0.000 0.508 341 Q N 1.576 121.460 119.800 0.139 0.000 2.372 341 Q HA 0.513 4.853 4.340 -0.001 0.000 0.273 341 Q C -0.918 175.074 176.000 -0.012 0.000 1.078 341 Q CA -1.026 54.797 55.803 0.034 0.000 0.806 341 Q CB 2.459 31.209 28.738 0.020 0.000 1.332 341 Q HN 0.772 nan 8.270 nan 0.000 0.435 342 S N 0.452 116.081 115.700 -0.118 0.000 2.767 342 S HA 0.452 4.922 4.470 -0.001 0.000 0.300 342 S C 1.201 175.698 174.600 -0.171 0.000 1.123 342 S CA -0.785 57.281 58.200 -0.224 0.000 0.992 342 S CB 0.371 63.232 63.200 -0.566 0.000 1.138 342 S HN 0.799 nan 8.310 nan 0.000 0.550 343 I N -1.956 118.475 120.570 -0.231 0.000 2.530 343 I HA -0.124 4.046 4.170 -0.001 0.000 0.257 343 I C 1.445 177.255 176.117 -0.513 0.000 1.179 343 I CA 1.367 62.441 61.300 -0.377 0.000 1.440 343 I CB -0.675 37.051 38.000 -0.458 0.000 1.087 343 I HN 0.590 nan 8.210 nan 0.000 0.440 344 Y N 2.209 122.351 120.300 -0.264 0.000 2.448 344 Y HA 0.487 5.037 4.550 -0.001 0.000 0.289 344 Y C 1.540 177.335 175.900 -0.174 0.000 1.114 344 Y CA 0.268 58.176 58.100 -0.320 0.000 1.235 344 Y CB -0.331 37.876 38.460 -0.421 0.000 1.045 344 Y HN 0.410 nan 8.280 nan 0.000 0.554 345 G N -0.828 107.971 108.800 -0.001 0.000 2.357 345 G HA2 0.089 4.049 3.960 -0.001 0.000 0.289 345 G HA3 0.089 4.049 3.960 -0.001 0.000 0.289 345 G C -3.150 171.753 174.900 0.005 0.000 1.302 345 G CA -1.276 43.835 45.100 0.018 0.000 0.936 345 G HN -0.223 nan 8.290 nan 0.000 0.513 346 P HA 0.490 nan 4.420 nan 0.000 0.272 346 P C -0.350 176.947 177.300 -0.006 0.000 1.223 346 P CA -0.264 62.849 63.100 0.022 0.000 0.784 346 P CB 0.949 32.676 31.700 0.046 0.000 0.923 347 L N 2.320 123.526 121.223 -0.028 0.000 2.436 347 L HA 0.287 4.627 4.340 -0.001 0.000 0.265 347 L C 0.494 177.366 176.870 0.003 0.000 1.168 347 L CA 0.034 54.811 54.840 -0.106 0.000 0.815 347 L CB 0.699 42.561 42.059 -0.328 0.000 1.109 347 L HN 0.259 nan 8.230 nan 0.000 0.462 348 V N 0.434 120.343 119.914 -0.007 0.000 2.760 348 V HA 0.773 4.892 4.120 -0.001 0.000 0.309 348 V C -0.766 175.362 176.094 0.058 0.000 1.077 348 V CA -0.737 61.579 62.300 0.026 0.000 0.910 348 V CB 1.912 33.695 31.823 -0.067 0.000 1.008 348 V HN 0.328 nan 8.190 nan 0.000 0.424 349 V N 3.952 123.953 119.914 0.145 0.000 2.444 349 V HA 0.503 4.622 4.120 -0.001 0.000 0.294 349 V C -1.285 174.990 176.094 0.302 0.000 1.022 349 V CA -0.178 62.242 62.300 0.200 0.000 0.850 349 V CB 1.938 33.910 31.823 0.249 0.000 0.992 349 V HN 0.936 nan 8.190 nan 0.000 0.426 350 W N 6.363 127.669 121.300 0.010 0.000 2.363 350 W HA 0.482 5.141 4.660 -0.001 0.000 0.314 350 W C -2.492 174.025 176.519 -0.004 0.000 0.994 350 W CA -3.278 54.057 57.345 -0.016 0.000 1.449 350 W CB 0.991 30.414 29.460 -0.062 0.000 1.248 350 W HN 0.346 nan 8.180 nan 0.000 0.409 351 P HA 0.103 nan 4.420 nan 0.000 0.261 351 P C 0.983 178.338 177.300 0.092 0.000 1.183 351 P CA 1.735 64.905 63.100 0.117 0.000 0.761 351 P CB 0.595 32.337 31.700 0.069 0.000 0.785 352 G N 2.442 111.297 108.800 0.092 0.000 2.179 352 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.260 352 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.260 352 G C 0.802 175.754 174.900 0.086 0.000 0.977 352 G CA 0.851 45.994 45.100 0.071 0.000 0.641 352 G HN 0.630 nan 8.290 nan 0.000 0.533 353 K N -0.984 119.491 120.400 0.126 0.000 2.625 353 K HA 0.484 4.804 4.320 -0.001 0.000 0.202 353 K C 0.392 177.006 176.600 0.023 0.000 1.412 353 K CA -0.087 56.275 56.287 0.124 0.000 0.989 353 K CB 0.300 32.954 32.500 0.256 0.000 1.682 353 K HN 0.226 nan 8.250 nan 0.000 0.496 354 L N 3.337 124.568 121.223 0.014 0.000 2.387 354 L HA 0.418 4.758 4.340 -0.001 0.000 0.259 354 L C -1.138 175.788 176.870 0.093 0.000 1.050 354 L CA -0.886 53.816 54.840 -0.230 0.000 0.922 354 L CB 1.176 42.866 42.059 -0.616 0.000 1.280 354 L HN 0.179 nan 8.230 nan 0.000 0.449 355 D N 0.771 121.290 120.400 0.199 0.000 2.387 355 D HA 0.186 4.826 4.640 -0.001 0.000 0.251 355 D C -0.856 175.643 176.300 0.330 0.000 1.141 355 D CA -0.151 53.992 54.000 0.239 0.000 0.987 355 D CB 2.036 42.949 40.800 0.189 0.000 1.116 355 D HN 0.263 nan 8.370 nan 0.000 0.491 356 W N 3.259 124.610 121.300 0.085 0.000 2.363 356 W HA 0.176 4.836 4.660 -0.000 0.000 0.314 356 W C -0.649 175.883 176.519 0.022 0.000 0.994 356 W CA -0.987 56.384 57.345 0.043 0.000 1.449 356 W CB -0.553 28.910 29.460 0.006 0.000 1.248 356 W HN 0.350 nan 8.180 nan 0.000 0.409 357 N N 2.559 121.481 118.700 0.370 0.000 2.992 357 N HA 0.418 5.157 4.740 -0.001 0.000 0.338 357 N C 0.716 176.342 175.510 0.194 0.000 1.376 357 N CA -0.468 52.697 53.050 0.190 0.000 0.778 357 N CB 0.656 39.222 38.487 0.131 0.000 1.232 357 N HN 0.235 nan 8.380 nan 0.000 0.581 358 R N -0.938 119.627 120.500 0.108 0.000 2.310 358 R HA 0.280 4.620 4.340 -0.001 0.000 0.202 358 R C 0.564 176.923 176.300 0.097 0.000 0.933 358 R CA 0.349 56.506 56.100 0.094 0.000 1.054 358 R CB -0.026 30.302 30.300 0.047 0.000 0.985 358 R HN 0.487 nan 8.270 nan 0.000 0.489 359 S N 0.152 115.909 115.700 0.096 0.000 2.566 359 S HA 0.017 4.487 4.470 -0.001 0.000 0.234 359 S C 0.330 174.959 174.600 0.048 0.000 1.075 359 S CA 0.079 58.318 58.200 0.065 0.000 0.926 359 S CB 0.533 63.764 63.200 0.052 0.000 0.811 359 S HN 0.408 nan 8.310 nan 0.000 0.518 360 E N -0.118 120.115 120.200 0.056 0.000 2.413 360 E HA 0.798 5.147 4.350 -0.001 0.000 0.277 360 E C -1.255 175.314 176.600 -0.053 0.000 0.958 360 E CA -1.229 55.146 56.400 -0.042 0.000 0.779 360 E CB 1.931 31.579 29.700 -0.086 0.000 1.278 360 E HN 0.138 nan 8.360 nan 0.000 0.456 361 A N 1.117 123.773 122.820 -0.274 0.000 2.583 361 A HA 0.689 5.009 4.320 -0.001 0.000 0.289 361 A C -2.067 175.216 177.584 -0.501 0.000 1.151 361 A CA -0.770 51.051 52.037 -0.360 0.000 0.695 361 A CB 1.235 19.703 19.000 -0.887 0.000 1.290 361 A HN 0.559 nan 8.150 nan 0.000 0.419 362 Y N -0.441 119.698 120.300 -0.269 0.000 2.409 362 Y HA 0.642 5.192 4.550 -0.001 0.000 0.343 362 Y C 0.564 176.331 175.900 -0.222 0.000 0.973 362 Y CA 0.022 57.997 58.100 -0.208 0.000 1.064 362 Y CB 2.316 40.666 38.460 -0.183 0.000 1.207 362 Y HN 0.987 nan 8.280 nan 0.000 0.452 363 A N 3.283 126.076 122.820 -0.046 0.000 2.322 363 A HA 0.870 5.190 4.320 -0.001 0.000 0.327 363 A C -1.826 175.812 177.584 0.090 0.000 1.134 363 A CA -0.850 51.175 52.037 -0.020 0.000 0.831 363 A CB 1.441 20.420 19.000 -0.035 0.000 1.288 363 A HN 0.795 nan 8.150 nan 0.000 0.472 364 L N 0.627 121.912 121.223 0.104 0.000 2.406 364 L HA 0.611 4.951 4.340 -0.001 0.000 0.272 364 L C -0.269 176.731 176.870 0.216 0.000 0.980 364 L CA -0.496 54.446 54.840 0.169 0.000 0.831 364 L CB 1.436 43.533 42.059 0.064 0.000 1.253 364 L HN 0.823 nan 8.230 nan 0.000 0.406 365 R N 3.583 124.286 120.500 0.338 0.000 2.246 365 R HA 0.246 4.586 4.340 -0.001 0.000 0.332 365 R C -1.156 175.438 176.300 0.489 0.000 0.974 365 R CA -0.568 55.705 56.100 0.287 0.000 0.837 365 R CB 0.847 31.211 30.300 0.107 0.000 1.145 365 R HN 0.546 nan 8.270 nan 0.000 0.467 366 D N 3.612 124.239 120.400 0.379 0.000 2.274 366 D HA 0.167 4.807 4.640 -0.001 0.000 0.239 366 D C 0.622 177.218 176.300 0.494 0.000 1.104 366 D CA -0.111 54.154 54.000 0.441 0.000 0.840 366 D CB 1.918 42.872 40.800 0.257 0.000 1.100 366 D HN 0.646 nan 8.370 nan 0.000 0.477 367 A N 4.657 127.843 122.820 0.610 0.000 1.969 367 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 367 A C 1.714 179.518 177.584 0.367 0.000 1.169 367 A CA 0.784 53.160 52.037 0.565 0.000 0.635 367 A CB -0.171 19.038 19.000 0.348 0.000 0.810 367 A HN 0.635 nan 8.150 nan 0.000 0.445 368 N N -0.016 118.880 118.700 0.326 0.000 2.515 368 N HA 0.027 4.767 4.740 -0.001 0.000 0.185 368 N C 1.399 177.030 175.510 0.203 0.000 1.109 368 N CA 0.402 53.604 53.050 0.252 0.000 0.903 368 N CB -0.181 38.469 38.487 0.272 0.000 0.969 368 N HN 0.497 nan 8.380 nan 0.000 0.450 369 L N 0.722 122.066 121.223 0.201 0.000 2.187 369 L HA -0.108 4.231 4.340 -0.001 0.000 0.213 369 L C 1.364 178.310 176.870 0.126 0.000 1.100 369 L CA 1.109 56.037 54.840 0.147 0.000 0.765 369 L CB 0.001 42.139 42.059 0.131 0.000 0.904 369 L HN 0.016 nan 8.230 nan 0.000 0.437 370 E N -0.732 119.556 120.200 0.147 0.000 2.501 370 E HA 0.042 4.392 4.350 -0.001 0.000 0.200 370 E C -0.042 176.628 176.600 0.118 0.000 1.016 370 E CA -0.055 56.418 56.400 0.121 0.000 0.921 370 E CB -0.061 29.711 29.700 0.121 0.000 1.034 370 E HN 0.191 nan 8.360 nan 0.000 0.468 371 N N 1.853 120.630 118.700 0.129 0.000 2.605 371 N HA -0.030 4.710 4.740 -0.001 0.000 0.258 371 N C 0.628 176.193 175.510 0.091 0.000 1.156 371 N CA 0.208 53.325 53.050 0.111 0.000 1.008 371 N CB 0.288 38.850 38.487 0.124 0.000 1.354 371 N HN -0.111 nan 8.380 nan 0.000 0.509 372 T N -0.109 114.491 114.554 0.077 0.000 3.129 372 T HA 0.146 4.496 4.350 -0.001 0.000 0.251 372 T C 1.120 175.858 174.700 0.063 0.000 1.117 372 T CA 0.257 62.396 62.100 0.065 0.000 1.034 372 T CB -0.039 68.861 68.868 0.054 0.000 0.968 372 T HN 0.378 nan 8.240 nan 0.000 0.526 373 R N 0.131 120.671 120.500 0.066 0.000 2.334 373 R HA 0.349 4.689 4.340 -0.001 0.000 0.216 373 R C 2.142 178.492 176.300 0.083 0.000 0.905 373 R CA -0.008 56.128 56.100 0.059 0.000 1.064 373 R CB -0.075 30.247 30.300 0.037 0.000 1.046 373 R HN 0.266 nan 8.270 nan 0.000 0.508 374 V N 1.166 121.148 119.914 0.113 0.000 2.343 374 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 374 V C 1.721 177.978 176.094 0.271 0.000 1.051 374 V CA 1.798 64.215 62.300 0.196 0.000 1.036 374 V CB -0.067 31.848 31.823 0.153 0.000 0.654 374 V HN 0.319 nan 8.190 nan 0.000 0.451 375 L N -0.430 120.895 121.223 0.170 0.000 2.072 375 L HA -0.144 4.196 4.340 -0.001 0.000 0.205 375 L C 2.689 179.680 176.870 0.200 0.000 1.079 375 L CA 1.991 56.933 54.840 0.170 0.000 0.752 375 L CB -0.738 41.368 42.059 0.080 0.000 0.906 375 L HN 0.420 nan 8.230 nan 0.000 0.436 376 Q N 0.216 120.104 119.800 0.147 0.000 2.135 376 Q HA -0.309 4.030 4.340 -0.001 0.000 0.204 376 Q C 2.201 178.272 176.000 0.119 0.000 0.981 376 Q CA 1.982 57.873 55.803 0.145 0.000 0.856 376 Q CB 0.041 28.832 28.738 0.088 0.000 0.902 376 Q HN 0.359 nan 8.270 nan 0.000 0.425 377 Q N -0.240 119.607 119.800 0.078 0.000 2.050 377 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 377 Q C 1.575 177.480 176.000 -0.158 0.000 0.980 377 Q CA 1.928 57.677 55.803 -0.089 0.000 0.840 377 Q CB -0.457 28.171 28.738 -0.184 0.000 0.898 377 Q HN 0.534 nan 8.270 nan 0.000 0.424 378 W N -0.813 120.488 121.300 0.002 0.000 2.436 378 W HA -0.126 4.534 4.660 -0.000 0.000 0.284 378 W C 1.847 178.415 176.519 0.082 0.000 1.225 378 W CA 0.840 58.199 57.345 0.023 0.000 1.271 378 W CB -0.432 29.074 29.460 0.077 0.000 1.114 378 W HN 0.276 nan 8.180 nan 0.000 0.559 379 Y N 1.105 121.496 120.300 0.152 0.000 2.207 379 Y HA -0.266 4.284 4.550 -0.001 0.000 0.287 379 Y C 2.785 178.679 175.900 -0.010 0.000 1.156 379 Y CA 1.862 60.008 58.100 0.076 0.000 1.182 379 Y CB -0.931 37.567 38.460 0.063 0.000 0.979 379 Y HN -0.223 nan 8.280 nan 0.000 0.521 380 S N -0.267 115.385 115.700 -0.079 0.000 2.355 380 S HA -0.158 4.311 4.470 -0.001 0.000 0.222 380 S C 2.160 176.588 174.600 -0.287 0.000 1.031 380 S CA 1.481 59.554 58.200 -0.211 0.000 0.993 380 S CB -0.565 62.537 63.200 -0.163 0.000 0.859 380 S HN 0.480 nan 8.310 nan 0.000 0.453 381 I N 2.058 122.408 120.570 -0.366 0.000 2.208 381 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 381 I C 2.171 177.948 176.117 -0.567 0.000 1.097 381 I CA 1.539 62.483 61.300 -0.594 0.000 1.363 381 I CB -0.602 36.862 38.000 -0.893 0.000 1.051 381 I HN 0.450 nan 8.210 nan 0.000 0.413 382 N N 0.174 118.693 118.700 -0.302 0.000 2.272 382 N HA -0.219 4.521 4.740 -0.001 0.000 0.185 382 N C 1.453 176.899 175.510 -0.107 0.000 1.014 382 N CA 0.817 53.816 53.050 -0.086 0.000 0.870 382 N CB -0.046 38.520 38.487 0.132 0.000 0.975 382 N HN 0.526 nan 8.380 nan 0.000 0.433 383 Q N 0.099 119.770 119.800 -0.215 0.000 2.319 383 Q HA 0.233 4.572 4.340 -0.001 0.000 0.202 383 Q C -0.040 175.881 176.000 -0.131 0.000 0.896 383 Q CA -0.370 55.324 55.803 -0.181 0.000 0.942 383 Q CB 0.686 29.260 28.738 -0.273 0.000 1.083 383 Q HN 0.232 nan 8.270 nan 0.000 0.510 384 A N 0.936 123.657 122.820 -0.165 0.000 2.477 384 A HA 0.163 4.483 4.320 -0.001 0.000 0.246 384 A C 1.137 178.692 177.584 -0.048 0.000 1.078 384 A CA 0.156 52.110 52.037 -0.137 0.000 0.770 384 A CB 0.450 19.322 19.000 -0.212 0.000 1.011 384 A HN 0.340 nan 8.150 nan 0.000 0.494 385 S N 1.192 116.873 115.700 -0.032 0.000 2.387 385 S HA 0.112 4.582 4.470 -0.001 0.000 0.221 385 S C 0.447 175.060 174.600 0.022 0.000 1.041 385 S CA 0.922 59.136 58.200 0.023 0.000 0.959 385 S CB -0.319 62.883 63.200 0.003 0.000 0.843 385 S HN 0.894 nan 8.310 nan 0.000 0.488 386 D N -0.659 119.723 120.400 -0.030 0.000 2.798 386 D HA 0.396 5.036 4.640 -0.001 0.000 0.308 386 D C 0.844 177.116 176.300 -0.047 0.000 1.187 386 D CA -0.754 53.217 54.000 -0.048 0.000 1.033 386 D CB 0.706 41.452 40.800 -0.089 0.000 1.445 386 D HN -0.112 nan 8.370 nan 0.000 0.550 387 V N 0.142 120.029 119.914 -0.045 0.000 2.358 387 V HA -0.112 4.008 4.120 -0.001 0.000 0.246 387 V C 2.474 178.540 176.094 -0.047 0.000 1.047 387 V CA 2.613 64.895 62.300 -0.031 0.000 1.035 387 V CB -1.037 30.778 31.823 -0.013 0.000 0.658 387 V HN 0.746 nan 8.190 nan 0.000 0.452 388 A N -0.182 122.608 122.820 -0.051 0.000 1.902 388 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 388 A C 2.048 179.593 177.584 -0.065 0.000 1.181 388 A CA 2.260 54.266 52.037 -0.052 0.000 0.623 388 A CB -0.665 18.305 19.000 -0.050 0.000 0.818 388 A HN 0.591 nan 8.150 nan 0.000 0.443 389 D N -0.735 119.622 120.400 -0.071 0.000 2.117 389 D HA -0.121 4.519 4.640 -0.001 0.000 0.198 389 D C 1.785 178.018 176.300 -0.111 0.000 0.982 389 D CA 1.157 55.107 54.000 -0.084 0.000 0.828 389 D CB -0.215 40.538 40.800 -0.079 0.000 0.967 389 D HN 0.235 nan 8.370 nan 0.000 0.464 390 L N 0.909 122.060 121.223 -0.120 0.000 2.012 390 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 390 L C 2.352 179.127 176.870 -0.159 0.000 1.073 390 L CA 1.811 56.549 54.840 -0.171 0.000 0.748 390 L CB -0.662 41.303 42.059 -0.158 0.000 0.891 390 L HN -0.041 nan 8.230 nan 0.000 0.431 391 R N -0.704 119.729 120.500 -0.113 0.000 2.073 391 R HA -0.166 4.173 4.340 -0.001 0.000 0.234 391 R C 2.454 178.694 176.300 -0.101 0.000 1.134 391 R CA 1.658 57.697 56.100 -0.100 0.000 0.952 391 R CB -0.206 30.053 30.300 -0.068 0.000 0.850 391 R HN 0.372 nan 8.270 nan 0.000 0.433 392 R N -0.082 120.363 120.500 -0.091 0.000 2.083 392 R HA -0.138 4.201 4.340 -0.001 0.000 0.237 392 R C 2.490 178.728 176.300 -0.103 0.000 1.137 392 R CA 1.913 57.962 56.100 -0.084 0.000 0.951 392 R CB -0.281 29.975 30.300 -0.073 0.000 0.851 392 R HN 0.275 nan 8.270 nan 0.000 0.434 393 R N -0.031 120.391 120.500 -0.130 0.000 2.092 393 R HA -0.061 4.279 4.340 -0.001 0.000 0.231 393 R C 2.280 178.475 176.300 -0.174 0.000 1.119 393 R CA 1.075 57.083 56.100 -0.153 0.000 0.970 393 R CB -0.135 30.052 30.300 -0.189 0.000 0.864 393 R HN 0.066 nan 8.270 nan 0.000 0.440 394 V N 0.892 120.690 119.914 -0.193 0.000 2.346 394 V HA -0.159 3.960 4.120 -0.001 0.000 0.244 394 V C 1.846 177.851 176.094 -0.148 0.000 1.037 394 V CA 1.639 63.813 62.300 -0.209 0.000 1.029 394 V CB -0.285 31.399 31.823 -0.232 0.000 0.663 394 V HN 0.307 nan 8.190 nan 0.000 0.454 395 E N 0.390 120.519 120.200 -0.118 0.000 2.150 395 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 395 E C 2.254 178.809 176.600 -0.075 0.000 0.985 395 E CA 1.168 57.516 56.400 -0.087 0.000 0.814 395 E CB -0.255 29.403 29.700 -0.070 0.000 0.752 395 E HN 0.595 nan 8.360 nan 0.000 0.466 396 A N 0.631 123.404 122.820 -0.079 0.000 1.929 396 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 396 A C 2.028 179.577 177.584 -0.058 0.000 1.176 396 A CA 0.926 52.925 52.037 -0.063 0.000 0.628 396 A CB -0.103 18.859 19.000 -0.063 0.000 0.816 396 A HN 0.194 nan 8.150 nan 0.000 0.444 397 L N -1.579 119.599 121.223 -0.076 0.000 2.425 397 L HA 0.177 4.517 4.340 -0.001 0.000 0.215 397 L C 0.604 177.440 176.870 -0.056 0.000 1.065 397 L CA 1.015 55.817 54.840 -0.063 0.000 0.842 397 L CB -0.264 41.748 42.059 -0.078 0.000 1.033 397 L HN 0.547 nan 8.230 nan 0.000 0.474 398 Q N -0.299 119.454 119.800 -0.079 0.000 2.451 398 Q HA -0.218 4.122 4.340 -0.001 0.000 0.305 398 Q C 0.910 176.881 176.000 -0.049 0.000 1.345 398 Q CA 0.439 56.203 55.803 -0.065 0.000 0.854 398 Q CB -2.242 26.474 28.738 -0.036 0.000 1.162 398 Q HN 0.631 nan 8.270 nan 0.000 0.440 399 G N -0.271 108.477 108.800 -0.087 0.000 3.126 399 G HA2 0.269 4.229 3.960 -0.001 0.000 0.224 399 G HA3 0.269 4.229 3.960 -0.001 0.000 0.224 399 G C 0.505 175.378 174.900 -0.044 0.000 1.142 399 G CA -0.348 44.725 45.100 -0.044 0.000 0.759 399 G HN 0.346 nan 8.290 nan 0.000 0.550 400 I N 1.433 121.919 120.570 -0.140 0.000 2.452 400 I HA 0.143 4.313 4.170 -0.001 0.000 0.287 400 I C -1.503 174.580 176.117 -0.057 0.000 1.079 400 I CA -1.734 59.485 61.300 -0.136 0.000 1.387 400 I CB 2.141 39.983 38.000 -0.263 0.000 1.404 400 I HN -0.062 nan 8.210 nan 0.000 0.522 401 P HA -0.056 nan 4.420 nan 0.000 0.215 401 P C 0.304 177.442 177.300 -0.270 0.000 1.157 401 P CA 1.289 64.280 63.100 -0.182 0.000 0.856 401 P CB 0.214 31.694 31.700 -0.366 0.000 0.786 402 W N -2.319 118.850 121.300 -0.219 0.000 0.890 402 W HA 0.469 5.129 4.660 -0.001 0.000 0.201 402 W C -1.079 175.406 176.519 -0.058 0.000 0.741 402 W CA -0.530 56.516 57.345 -0.499 0.000 1.243 402 W CB -0.412 28.728 29.460 -0.532 0.000 0.808 402 W HN -0.289 nan 8.180 nan 0.000 0.383 403 V N -0.787 119.183 119.914 0.093 0.000 2.914 403 V HA 0.571 4.690 4.120 -0.001 0.000 0.314 403 V C 0.020 176.220 176.094 0.176 0.000 1.084 403 V CA -1.077 61.342 62.300 0.198 0.000 0.963 403 V CB 1.636 33.534 31.823 0.125 0.000 1.025 403 V HN 0.068 nan 8.190 nan 0.000 0.432 404 N N 1.302 120.128 118.700 0.210 0.000 2.444 404 N HA 0.393 5.133 4.740 -0.001 0.000 0.255 404 N C -0.198 175.439 175.510 0.211 0.000 1.255 404 N CA 0.109 53.225 53.050 0.110 0.000 0.933 404 N CB 1.050 39.635 38.487 0.163 0.000 1.143 404 N HN 0.928 nan 8.380 nan 0.000 0.453 405 T N 1.410 115.989 114.554 0.042 0.000 2.848 405 T HA 0.564 4.914 4.350 -0.001 0.000 0.285 405 T C -0.409 174.292 174.700 0.002 0.000 0.995 405 T CA -0.516 61.637 62.100 0.088 0.000 0.970 405 T CB 1.125 70.036 68.868 0.072 0.000 0.976 405 T HN 0.141 nan 8.240 nan 0.000 0.441 406 L N 2.383 123.644 121.223 0.063 0.000 2.381 406 L HA 0.947 5.286 4.340 -0.001 0.000 0.268 406 L C -0.207 176.733 176.870 0.117 0.000 0.997 406 L CA -0.490 54.421 54.840 0.118 0.000 0.818 406 L CB 1.938 44.100 42.059 0.173 0.000 1.310 406 L HN 0.889 nan 8.230 nan 0.000 0.416 407 A N 1.615 124.513 122.820 0.129 0.000 2.606 407 A HA 1.012 5.331 4.320 -0.001 0.000 0.293 407 A C -1.667 176.001 177.584 0.140 0.000 1.082 407 A CA -0.129 52.003 52.037 0.157 0.000 0.685 407 A CB 1.812 20.912 19.000 0.166 0.000 1.284 407 A HN 0.896 nan 8.150 nan 0.000 0.408 408 A N 0.846 123.769 122.820 0.172 0.000 2.515 408 A HA 0.855 5.174 4.320 -0.001 0.000 0.298 408 A C -1.373 176.301 177.584 0.150 0.000 1.059 408 A CA -0.100 52.036 52.037 0.166 0.000 0.698 408 A CB 1.399 20.523 19.000 0.208 0.000 1.289 408 A HN 1.280 nan 8.150 nan 0.000 0.404 409 D N -0.569 119.828 120.400 -0.005 0.000 2.533 409 D HA 0.307 4.947 4.640 -0.001 0.000 0.247 409 D C 0.622 176.635 176.300 -0.478 0.000 1.056 409 D CA -0.428 53.392 54.000 -0.300 0.000 1.054 409 D CB 0.744 41.432 40.800 -0.188 0.000 1.400 409 D HN 0.517 nan 8.370 nan 0.000 0.533 410 E N -0.640 119.083 120.200 -0.796 0.000 2.118 410 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 410 E C 1.516 178.027 176.600 -0.148 0.000 0.992 410 E CA 1.353 57.457 56.400 -0.494 0.000 0.804 410 E CB 0.060 29.588 29.700 -0.287 0.000 0.741 410 E HN 0.590 nan 8.360 nan 0.000 0.458 411 Q N -0.947 118.768 119.800 -0.142 0.000 2.472 411 Q HA 0.039 4.379 4.340 -0.001 0.000 0.208 411 Q C 1.058 177.037 176.000 -0.034 0.000 0.958 411 Q CA 0.778 56.538 55.803 -0.072 0.000 0.932 411 Q CB 0.380 29.069 28.738 -0.082 0.000 1.007 411 Q HN 0.298 nan 8.270 nan 0.000 0.508 412 G N 1.227 110.013 108.800 -0.023 0.000 2.131 412 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.201 412 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.201 412 G C -0.610 174.300 174.900 0.017 0.000 1.000 412 G CA -0.297 44.815 45.100 0.019 0.000 0.680 412 G HN 0.331 nan 8.290 nan 0.000 0.514 413 N N 0.655 119.357 118.700 0.003 0.000 2.518 413 N HA 0.585 5.325 4.740 -0.001 0.000 0.283 413 N C 0.131 175.664 175.510 0.039 0.000 1.119 413 N CA 0.652 53.709 53.050 0.011 0.000 0.983 413 N CB 1.720 40.203 38.487 -0.006 0.000 1.139 413 N HN 0.697 nan 8.380 nan 0.000 0.465 414 A N 2.126 124.974 122.820 0.047 0.000 2.304 414 A HA 0.543 4.863 4.320 -0.001 0.000 0.314 414 A C -0.825 176.803 177.584 0.072 0.000 1.187 414 A CA -0.609 51.472 52.037 0.074 0.000 0.810 414 A CB 0.655 19.707 19.000 0.087 0.000 1.183 414 A HN 0.566 nan 8.150 nan 0.000 0.487 415 L N 2.677 123.954 121.223 0.091 0.000 2.362 415 L HA 0.724 5.064 4.340 -0.001 0.000 0.275 415 L C -1.258 175.703 176.870 0.152 0.000 0.998 415 L CA -0.548 54.347 54.840 0.091 0.000 0.820 415 L CB 1.585 43.672 42.059 0.047 0.000 1.270 415 L HN 0.658 nan 8.230 nan 0.000 0.415 416 Y N 5.478 125.794 120.300 0.027 0.000 2.393 416 Y HA 0.783 5.333 4.550 -0.001 0.000 0.341 416 Y C -1.259 174.654 175.900 0.022 0.000 0.988 416 Y CA -0.991 57.130 58.100 0.035 0.000 1.078 416 Y CB 1.692 40.173 38.460 0.036 0.000 1.203 416 Y HN 0.634 nan 8.280 nan 0.000 0.453 417 M N 5.292 124.459 119.600 -0.722 0.000 2.327 417 M HA 0.240 4.720 4.480 -0.001 0.000 0.298 417 M C -0.917 174.896 176.300 -0.812 0.000 1.065 417 M CA -0.762 54.176 55.300 -0.604 0.000 0.916 417 M CB 1.914 34.351 32.600 -0.271 0.000 1.630 417 M HN 0.647 nan 8.290 nan 0.000 0.442 418 N N 2.610 120.962 118.700 -0.579 0.000 3.131 418 N HA 0.106 4.846 4.740 -0.001 0.000 0.312 418 N C -1.128 174.296 175.510 -0.142 0.000 1.433 418 N CA 0.030 52.913 53.050 -0.277 0.000 1.141 418 N CB 0.555 38.972 38.487 -0.117 0.000 1.431 418 N HN 0.494 nan 8.380 nan 0.000 0.523 419 Q N 0.836 120.553 119.800 -0.138 0.000 2.509 419 Q HA 0.276 4.616 4.340 -0.001 0.000 0.236 419 Q C -0.543 175.424 176.000 -0.054 0.000 1.073 419 Q CA -0.198 55.549 55.803 -0.093 0.000 0.867 419 Q CB 0.767 29.433 28.738 -0.119 0.000 1.181 419 Q HN 0.575 nan 8.270 nan 0.000 0.526 420 S N -1.024 114.684 115.700 0.013 0.000 2.806 420 S HA 0.592 5.062 4.470 -0.001 0.000 0.306 420 S C -0.210 174.453 174.600 0.104 0.000 1.167 420 S CA -0.798 57.441 58.200 0.065 0.000 0.847 420 S CB 1.219 64.525 63.200 0.176 0.000 1.216 420 S HN 0.126 nan 8.310 nan 0.000 0.532 421 V N 1.746 121.756 119.914 0.160 0.000 2.372 421 V HA 0.492 4.611 4.120 -0.001 0.000 0.261 421 V C -0.813 175.435 176.094 0.257 0.000 1.055 421 V CA -0.237 62.165 62.300 0.170 0.000 0.930 421 V CB 0.303 32.225 31.823 0.165 0.000 1.031 421 V HN 0.648 nan 8.190 nan 0.000 0.479 422 V N 7.856 127.817 119.914 0.077 0.000 2.531 422 V HA 0.400 4.519 4.120 -0.001 0.000 0.301 422 V C -2.427 173.537 176.094 -0.217 0.000 1.034 422 V CA -2.234 60.025 62.300 -0.069 0.000 0.865 422 V CB 2.334 34.103 31.823 -0.090 0.000 0.995 422 V HN 0.622 nan 8.190 nan 0.000 0.424 423 P HA -0.005 nan 4.420 nan 0.000 0.264 423 P C -1.211 175.796 177.300 -0.489 0.000 1.183 423 P CA 0.241 62.741 63.100 -0.999 0.000 0.763 423 P CB 0.091 30.789 31.700 -1.669 0.000 0.807 424 Y N 4.845 124.874 120.300 -0.452 0.000 2.328 424 Y HA 0.566 5.116 4.550 -0.001 0.000 0.337 424 Y C -1.068 174.767 175.900 -0.108 0.000 1.008 424 Y CA -1.257 56.732 58.100 -0.186 0.000 1.129 424 Y CB 0.660 39.090 38.460 -0.050 0.000 1.185 424 Y HN 0.198 nan 8.280 nan 0.000 0.476 425 L N 6.459 127.463 121.223 -0.365 0.000 2.409 425 L HA 0.474 4.813 4.340 -0.001 0.000 0.272 425 L C -0.780 175.770 176.870 -0.534 0.000 0.980 425 L CA -0.706 53.891 54.840 -0.405 0.000 0.826 425 L CB 1.544 43.501 42.059 -0.170 0.000 1.268 425 L HN 0.578 nan 8.230 nan 0.000 0.407 426 K N 6.189 126.240 120.400 -0.582 0.000 2.485 426 K HA 0.084 4.403 4.320 -0.001 0.000 0.277 426 K C -1.558 174.947 176.600 -0.157 0.000 0.990 426 K CA -0.791 55.281 56.287 -0.360 0.000 0.994 426 K CB 0.395 32.758 32.500 -0.227 0.000 0.906 426 K HN 0.435 nan 8.250 nan 0.000 0.488 427 P HA -0.254 nan 4.420 nan 0.000 0.216 427 P C 0.802 178.078 177.300 -0.039 0.000 1.150 427 P CA 1.454 64.530 63.100 -0.040 0.000 0.837 427 P CB 0.120 31.813 31.700 -0.012 0.000 0.786 428 E N 0.552 120.730 120.200 -0.036 0.000 2.338 428 E HA -0.120 4.230 4.350 -0.001 0.000 0.197 428 E C 1.888 178.471 176.600 -0.028 0.000 1.007 428 E CA 0.834 57.218 56.400 -0.027 0.000 0.849 428 E CB -1.036 28.652 29.700 -0.019 0.000 0.774 428 E HN 0.326 nan 8.360 nan 0.000 0.506 429 L N 0.307 121.505 121.223 -0.042 0.000 2.375 429 L HA 0.114 4.454 4.340 -0.001 0.000 0.215 429 L C 2.528 179.379 176.870 -0.032 0.000 1.108 429 L CA 0.109 54.929 54.840 -0.033 0.000 0.830 429 L CB -0.210 41.825 42.059 -0.039 0.000 0.959 429 L HN 0.002 nan 8.230 nan 0.000 0.457 430 I N 0.648 121.192 120.570 -0.043 0.000 2.179 430 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 430 I C -0.244 175.852 176.117 -0.034 0.000 1.088 430 I CA 1.444 62.717 61.300 -0.045 0.000 1.357 430 I CB -1.443 36.526 38.000 -0.052 0.000 1.051 430 I HN 0.205 nan 8.210 nan 0.000 0.409 431 P HA -0.167 nan 4.420 nan 0.000 0.216 431 P C 1.194 178.485 177.300 -0.016 0.000 1.150 431 P CA 1.757 64.845 63.100 -0.020 0.000 0.837 431 P CB 0.036 31.727 31.700 -0.016 0.000 0.786 432 A N -2.231 120.582 122.820 -0.013 0.000 2.115 432 A HA 0.003 4.323 4.320 -0.001 0.000 0.211 432 A C 2.055 179.636 177.584 -0.005 0.000 1.169 432 A CA 0.645 52.679 52.037 -0.006 0.000 0.787 432 A CB -1.135 17.864 19.000 -0.001 0.000 0.858 432 A HN 0.193 nan 8.150 nan 0.000 0.474 433 c N -0.304 118.289 118.600 -0.010 0.000 2.563 433 c HA 0.512 5.082 4.570 -0.001 0.000 0.268 433 c C 1.680 175.748 174.090 -0.036 0.000 1.365 433 c CA -0.265 56.059 56.329 -0.009 0.000 1.754 433 c CB -1.236 41.276 42.510 0.003 0.000 1.932 433 c HN 0.619 nan 8.230 nan 0.000 0.536 434 A N 1.207 124.000 122.820 -0.044 0.000 2.386 434 A HA 0.504 4.823 4.320 -0.001 0.000 0.248 434 A C -0.022 177.539 177.584 -0.039 0.000 1.082 434 A CA 0.197 52.200 52.037 -0.058 0.000 0.789 434 A CB 0.102 19.070 19.000 -0.053 0.000 1.025 434 A HN 0.330 nan 8.150 nan 0.000 0.490 435 I N 3.259 123.805 120.570 -0.039 0.000 2.291 435 I HA 0.181 4.350 4.170 -0.001 0.000 0.292 435 I C -1.754 174.360 176.117 -0.005 0.000 1.064 435 I CA -1.957 59.338 61.300 -0.008 0.000 1.269 435 I CB 0.566 38.579 38.000 0.022 0.000 1.418 435 I HN 0.412 nan 8.210 nan 0.000 0.485 436 P HA -0.166 nan 4.420 nan 0.000 0.215 436 P C 1.318 178.621 177.300 0.004 0.000 1.153 436 P CA 1.448 64.546 63.100 -0.002 0.000 0.853 436 P CB 0.339 32.041 31.700 0.002 0.000 0.788 437 Q N -0.837 118.972 119.800 0.015 0.000 2.124 437 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 437 Q C 2.130 178.140 176.000 0.017 0.000 0.977 437 Q CA 1.285 57.100 55.803 0.021 0.000 0.850 437 Q CB -0.930 27.827 28.738 0.033 0.000 0.901 437 Q HN 0.275 nan 8.270 nan 0.000 0.429 438 L N -0.169 121.061 121.223 0.011 0.000 2.202 438 L HA -0.023 4.317 4.340 -0.001 0.000 0.205 438 L C 2.229 179.091 176.870 -0.012 0.000 1.083 438 L CA 0.512 55.352 54.840 -0.001 0.000 0.790 438 L CB -0.521 41.528 42.059 -0.016 0.000 0.942 438 L HN 0.217 nan 8.230 nan 0.000 0.452 439 V N -2.349 117.550 119.914 -0.024 0.000 2.515 439 V HA -0.122 3.998 4.120 -0.001 0.000 0.250 439 V C 2.593 178.675 176.094 -0.020 0.000 1.058 439 V CA 1.424 63.702 62.300 -0.037 0.000 1.064 439 V CB -1.190 30.603 31.823 -0.050 0.000 0.675 439 V HN 0.280 nan 8.190 nan 0.000 0.461 440 A N 0.743 123.558 122.820 -0.008 0.000 2.024 440 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 440 A C 2.040 179.628 177.584 0.007 0.000 1.164 440 A CA 1.991 54.028 52.037 -0.000 0.000 0.643 440 A CB -0.535 18.469 19.000 0.006 0.000 0.806 440 A HN 0.766 nan 8.150 nan 0.000 0.451 441 E N -1.871 118.337 120.200 0.013 0.000 2.476 441 E HA 0.341 4.691 4.350 -0.001 0.000 0.196 441 E C 0.936 177.555 176.600 0.032 0.000 1.029 441 E CA 0.200 56.617 56.400 0.028 0.000 0.896 441 E CB 0.156 29.884 29.700 0.045 0.000 1.012 441 E HN 0.691 nan 8.360 nan 0.000 0.475 442 G N 1.635 110.441 108.800 0.011 0.000 2.141 442 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.242 442 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.242 442 G C 0.048 174.947 174.900 -0.002 0.000 0.982 442 G CA -0.208 44.895 45.100 0.004 0.000 0.662 442 G HN 0.219 nan 8.290 nan 0.000 0.527 443 L N 2.302 123.522 121.223 -0.005 0.000 2.276 443 L HA 0.414 4.753 4.340 -0.001 0.000 0.286 443 L C -1.640 175.155 176.870 -0.126 0.000 1.061 443 L CA -2.122 52.704 54.840 -0.024 0.000 0.807 443 L CB 1.474 43.533 42.059 -0.000 0.000 1.177 443 L HN -0.051 nan 8.230 nan 0.000 0.429 444 P HA 0.229 nan 4.420 nan 0.000 0.280 444 P C -1.234 175.898 177.300 -0.279 0.000 1.300 444 P CA -0.149 62.746 63.100 -0.341 0.000 0.785 444 P CB 1.198 32.541 31.700 -0.595 0.000 0.874 445 A N 4.789 127.485 122.820 -0.206 0.000 2.427 445 A HA 0.735 5.055 4.320 -0.001 0.000 0.298 445 A C -1.042 176.418 177.584 -0.208 0.000 1.036 445 A CA -0.649 51.285 52.037 -0.171 0.000 0.701 445 A CB 1.186 20.146 19.000 -0.066 0.000 1.250 445 A HN 0.444 nan 8.150 nan 0.000 0.412 446 L N 1.130 122.153 121.223 -0.334 0.000 2.309 446 L HA 0.485 4.824 4.340 -0.001 0.000 0.261 446 L C -0.222 176.541 176.870 -0.178 0.000 1.021 446 L CA -1.091 53.562 54.840 -0.312 0.000 0.823 446 L CB 1.890 43.630 42.059 -0.531 0.000 1.366 446 L HN 0.650 nan 8.230 nan 0.000 0.423 447 Q N 1.178 120.950 119.800 -0.046 0.000 2.324 447 Q HA 0.128 4.468 4.340 -0.001 0.000 0.257 447 Q C 0.736 176.802 176.000 0.110 0.000 1.080 447 Q CA 0.017 55.828 55.803 0.014 0.000 0.907 447 Q CB 1.177 29.927 28.738 0.021 0.000 1.274 447 Q HN 0.895 nan 8.270 nan 0.000 0.434 448 G N 2.558 111.400 108.800 0.071 0.000 3.088 448 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.212 448 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.212 448 G C 0.956 175.937 174.900 0.135 0.000 1.173 448 G CA -0.008 45.090 45.100 -0.002 0.000 0.779 448 G HN 0.489 nan 8.290 nan 0.000 0.540 449 Q N 0.287 120.147 119.800 0.100 0.000 2.319 449 Q HA 0.070 4.410 4.340 -0.001 0.000 0.202 449 Q C -0.862 175.190 176.000 0.087 0.000 0.896 449 Q CA 0.096 55.960 55.803 0.102 0.000 0.942 449 Q CB 0.453 29.225 28.738 0.056 0.000 1.083 449 Q HN 0.266 nan 8.270 nan 0.000 0.510 450 D N 0.983 121.444 120.400 0.101 0.000 2.549 450 D HA 0.123 4.762 4.640 -0.001 0.000 0.251 450 D C 0.601 176.961 176.300 0.101 0.000 1.153 450 D CA -0.095 53.953 54.000 0.079 0.000 0.861 450 D CB 1.922 42.762 40.800 0.066 0.000 1.207 450 D HN 0.064 nan 8.370 nan 0.000 0.543 451 S N 3.594 119.337 115.700 0.072 0.000 2.442 451 S HA -0.152 4.318 4.470 -0.001 0.000 0.236 451 S C 1.484 176.129 174.600 0.076 0.000 1.007 451 S CA 0.598 58.837 58.200 0.065 0.000 0.965 451 S CB -0.083 63.132 63.200 0.025 0.000 0.773 451 S HN 0.510 nan 8.310 nan 0.000 0.504 452 R N -0.149 120.393 120.500 0.070 0.000 2.280 452 R HA 0.167 4.507 4.340 -0.001 0.000 0.207 452 R C 1.136 177.492 176.300 0.094 0.000 1.043 452 R CA 0.891 57.030 56.100 0.066 0.000 1.006 452 R CB -0.527 29.799 30.300 0.043 0.000 0.885 452 R HN 0.466 nan 8.270 nan 0.000 0.467 453 c N 0.808 119.491 118.600 0.138 0.000 2.673 453 c HA 0.359 4.929 4.570 -0.001 0.000 0.274 453 c C 1.217 175.508 174.090 0.335 0.000 1.276 453 c CA -1.083 55.367 56.329 0.203 0.000 1.701 453 c CB -1.227 41.406 42.510 0.206 0.000 1.836 453 c HN 0.395 nan 8.230 nan 0.000 0.596 454 A N 0.536 123.509 122.820 0.255 0.000 2.483 454 A HA 0.272 4.591 4.320 -0.001 0.000 0.238 454 A C -0.052 177.752 177.584 0.366 0.000 1.070 454 A CA 0.072 52.261 52.037 0.254 0.000 0.770 454 A CB 0.112 19.184 19.000 0.121 0.000 1.008 454 A HN 0.589 nan 8.150 nan 0.000 0.497 455 W N 1.692 123.108 121.300 0.193 0.000 2.314 455 W HA 0.203 4.863 4.660 -0.001 0.000 0.339 455 W C 0.582 177.148 176.519 0.078 0.000 1.293 455 W CA -0.546 56.874 57.345 0.125 0.000 1.288 455 W CB -0.651 28.909 29.460 0.167 0.000 1.186 455 W HN 0.617 nan 8.180 nan 0.000 0.566 456 S N 3.254 119.078 115.700 0.207 0.000 2.576 456 S HA 0.383 4.852 4.470 -0.001 0.000 0.276 456 S C 0.333 175.097 174.600 0.273 0.000 1.339 456 S CA -0.627 57.627 58.200 0.090 0.000 1.039 456 S CB 0.673 63.698 63.200 -0.292 0.000 0.902 456 S HN 0.216 nan 8.310 nan 0.000 0.516 457 R N 1.822 122.456 120.500 0.222 0.000 2.346 457 R HA 0.424 4.763 4.340 -0.001 0.000 0.311 457 R C -0.901 175.542 176.300 0.238 0.000 0.983 457 R CA -0.509 55.726 56.100 0.225 0.000 0.880 457 R CB 0.838 31.227 30.300 0.148 0.000 1.100 457 R HN 0.517 nan 8.270 nan 0.000 0.453 458 D N 3.515 124.041 120.400 0.210 0.000 2.788 458 D HA 0.219 4.858 4.640 -0.001 0.000 0.247 458 D C -2.033 174.309 176.300 0.070 0.000 1.236 458 D CA -2.090 51.994 54.000 0.139 0.000 0.898 458 D CB 2.356 43.210 40.800 0.090 0.000 1.401 458 D HN 0.142 nan 8.370 nan 0.000 0.549 459 P HA 0.004 nan 4.420 nan 0.000 0.222 459 P C 0.875 178.186 177.300 0.017 0.000 1.147 459 P CA 0.664 63.786 63.100 0.038 0.000 0.790 459 P CB 0.329 32.049 31.700 0.034 0.000 0.780 460 A N -0.606 122.215 122.820 0.001 0.000 2.119 460 A HA 0.306 4.626 4.320 -0.001 0.000 0.216 460 A C 1.327 178.893 177.584 -0.031 0.000 1.152 460 A CA 0.495 52.521 52.037 -0.018 0.000 0.708 460 A CB -0.925 18.056 19.000 -0.031 0.000 0.805 460 A HN 0.249 nan 8.150 nan 0.000 0.460 461 A N -0.731 122.070 122.820 -0.031 0.000 2.388 461 A HA 0.566 4.885 4.320 -0.001 0.000 0.257 461 A C 1.393 178.979 177.584 0.003 0.000 1.095 461 A CA 0.225 52.243 52.037 -0.031 0.000 0.791 461 A CB 0.271 19.253 19.000 -0.030 0.000 1.029 461 A HN 1.035 nan 8.150 nan 0.000 0.489 462 A N 0.975 123.796 122.820 0.002 0.000 2.121 462 A HA 0.100 4.420 4.320 -0.001 0.000 0.218 462 A C 0.979 178.586 177.584 0.038 0.000 1.154 462 A CA 1.578 53.623 52.037 0.014 0.000 0.679 462 A CB -0.155 18.847 19.000 0.003 0.000 0.795 462 A HN 0.858 nan 8.150 nan 0.000 0.458 463 Q N -1.138 118.697 119.800 0.058 0.000 2.315 463 Q HA 0.568 4.907 4.340 -0.001 0.000 0.273 463 Q C -1.006 175.068 176.000 0.124 0.000 1.053 463 Q CA -0.601 55.257 55.803 0.091 0.000 0.817 463 Q CB 1.902 30.705 28.738 0.108 0.000 1.326 463 Q HN 0.327 nan 8.270 nan 0.000 0.423 464 A N 1.746 124.646 122.820 0.133 0.000 2.545 464 A HA 0.437 4.756 4.320 -0.001 0.000 0.253 464 A C 1.157 178.895 177.584 0.258 0.000 1.074 464 A CA 1.235 53.370 52.037 0.163 0.000 0.760 464 A CB -0.767 18.310 19.000 0.129 0.000 1.005 464 A HN 1.455 nan 8.150 nan 0.000 0.506 465 G N 1.404 110.386 108.800 0.304 0.000 2.175 465 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.244 465 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.244 465 G C 0.313 175.441 174.900 0.380 0.000 0.982 465 G CA 0.373 45.758 45.100 0.476 0.000 0.641 465 G HN 1.906 nan 8.290 nan 0.000 0.527 466 I N -0.999 119.707 120.570 0.227 0.000 2.783 466 I HA 0.787 4.957 4.170 -0.001 0.000 0.312 466 I C 0.351 176.463 176.117 -0.010 0.000 0.988 466 I CA -0.798 60.554 61.300 0.088 0.000 1.182 466 I CB 1.452 39.496 38.000 0.074 0.000 1.368 466 I HN -0.046 nan 8.210 nan 0.000 0.511 467 T N 4.826 119.327 114.554 -0.088 0.000 2.814 467 T HA 0.285 4.635 4.350 -0.001 0.000 0.297 467 T C -2.315 172.224 174.700 -0.267 0.000 0.956 467 T CA -0.575 61.350 62.100 -0.291 0.000 1.123 467 T CB 0.357 69.150 68.868 -0.125 0.000 0.902 467 T HN 0.491 nan 8.240 nan 0.000 0.528 468 P HA 0.162 nan 4.420 nan 0.000 0.269 468 P C 0.526 177.749 177.300 -0.129 0.000 1.215 468 P CA -0.238 62.735 63.100 -0.211 0.000 0.780 468 P CB 0.425 31.989 31.700 -0.226 0.000 0.898 469 A N 3.270 126.041 122.820 -0.081 0.000 1.940 469 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 469 A C 2.103 179.672 177.584 -0.025 0.000 1.176 469 A CA 2.163 54.169 52.037 -0.053 0.000 0.631 469 A CB -1.648 17.322 19.000 -0.052 0.000 0.814 469 A HN 0.563 nan 8.150 nan 0.000 0.446 470 A N -1.022 121.782 122.820 -0.026 0.000 2.070 470 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 470 A C 1.909 179.520 177.584 0.045 0.000 1.159 470 A CA 1.468 53.507 52.037 0.004 0.000 0.656 470 A CB -0.362 18.632 19.000 -0.010 0.000 0.800 470 A HN 0.686 nan 8.150 nan 0.000 0.453 471 Q N -0.921 118.899 119.800 0.033 0.000 2.280 471 Q HA 0.350 4.689 4.340 -0.001 0.000 0.201 471 Q C -0.579 175.569 176.000 0.246 0.000 0.890 471 Q CA -0.139 55.729 55.803 0.108 0.000 0.947 471 Q CB 0.325 29.075 28.738 0.020 0.000 1.081 471 Q HN 0.553 nan 8.270 nan 0.000 0.502 472 L N 1.314 122.630 121.223 0.155 0.000 2.331 472 L HA 0.468 4.808 4.340 -0.001 0.000 0.275 472 L C -2.351 174.525 176.870 0.010 0.000 1.022 472 L CA -2.472 52.401 54.840 0.054 0.000 0.812 472 L CB 1.193 43.236 42.059 -0.026 0.000 1.257 472 L HN -0.205 nan 8.230 nan 0.000 0.435 473 P HA 0.147 nan 4.420 nan 0.000 0.271 473 P C -1.123 176.164 177.300 -0.021 0.000 1.216 473 P CA -0.052 62.867 63.100 -0.302 0.000 0.771 473 P CB 0.921 32.293 31.700 -0.547 0.000 0.864 474 V N 4.462 124.443 119.914 0.112 0.000 2.760 474 V HA 0.455 4.575 4.120 -0.001 0.000 0.309 474 V C -0.718 175.481 176.094 0.176 0.000 1.077 474 V CA -0.587 61.776 62.300 0.104 0.000 0.910 474 V CB 2.229 34.080 31.823 0.046 0.000 1.008 474 V HN 0.294 nan 8.190 nan 0.000 0.424 475 L N 5.224 126.575 121.223 0.212 0.000 2.404 475 L HA 0.736 5.075 4.340 -0.001 0.000 0.272 475 L C -1.312 175.620 176.870 0.104 0.000 0.980 475 L CA -0.354 54.576 54.840 0.151 0.000 0.836 475 L CB 1.616 43.759 42.059 0.140 0.000 1.238 475 L HN 0.658 nan 8.230 nan 0.000 0.408 476 L N 5.641 126.897 121.223 0.055 0.000 2.319 476 L HA 0.714 5.054 4.340 -0.001 0.000 0.281 476 L C -0.744 176.131 176.870 0.007 0.000 1.005 476 L CA 0.109 54.969 54.840 0.033 0.000 0.828 476 L CB 0.990 43.062 42.059 0.021 0.000 1.227 476 L HN 0.690 nan 8.230 nan 0.000 0.415 477 R N 3.499 123.998 120.500 -0.001 0.000 2.855 477 R HA 0.537 4.876 4.340 -0.001 0.000 0.266 477 R C 0.022 176.314 176.300 -0.015 0.000 1.034 477 R CA -0.839 55.243 56.100 -0.030 0.000 0.944 477 R CB 1.965 32.213 30.300 -0.087 0.000 1.219 477 R HN 0.533 nan 8.270 nan 0.000 0.474 478 R N 0.238 120.726 120.500 -0.021 0.000 2.397 478 R HA 0.015 4.354 4.340 -0.001 0.000 0.241 478 R C 0.238 176.546 176.300 0.014 0.000 0.914 478 R CA 0.395 56.495 56.100 0.001 0.000 1.071 478 R CB 0.371 30.671 30.300 -0.001 0.000 1.116 478 R HN 0.606 nan 8.270 nan 0.000 0.524 479 D N 0.508 120.902 120.400 -0.010 0.000 2.628 479 D HA -0.019 4.621 4.640 -0.001 0.000 0.258 479 D C 0.584 176.980 176.300 0.160 0.000 1.165 479 D CA 0.571 54.596 54.000 0.043 0.000 0.991 479 D CB -0.073 40.725 40.800 -0.004 0.000 1.104 479 D HN 0.068 nan 8.370 nan 0.000 0.438 480 F N -0.749 119.196 119.950 -0.007 0.000 2.719 480 F HA 0.609 5.135 4.527 -0.001 0.000 0.309 480 F C -1.610 174.189 175.800 -0.001 0.000 1.138 480 F CA -1.633 56.365 58.000 -0.003 0.000 0.943 480 F CB 1.357 40.344 39.000 -0.021 0.000 1.304 480 F HN 0.089 nan 8.300 nan 0.000 0.445 481 V N 0.468 120.520 119.914 0.231 0.000 2.962 481 V HA 0.957 5.077 4.120 -0.001 0.000 0.313 481 V C -1.459 174.810 176.094 0.292 0.000 1.099 481 V CA -0.738 61.659 62.300 0.162 0.000 0.971 481 V CB 1.402 33.292 31.823 0.113 0.000 1.028 481 V HN 1.318 nan 8.190 nan 0.000 0.430 482 Q N 1.596 121.521 119.800 0.209 0.000 2.462 482 Q HA 0.662 5.002 4.340 -0.001 0.000 0.285 482 Q C -1.385 174.675 176.000 0.100 0.000 1.035 482 Q CA -0.603 55.307 55.803 0.178 0.000 0.799 482 Q CB 2.057 30.900 28.738 0.175 0.000 1.452 482 Q HN 0.921 nan 8.270 nan 0.000 0.404 483 N N 0.181 118.965 118.700 0.140 0.000 2.371 483 N HA 0.389 5.129 4.740 -0.001 0.000 0.280 483 N C -1.394 174.198 175.510 0.137 0.000 1.084 483 N CA -0.401 52.728 53.050 0.131 0.000 0.892 483 N CB 2.100 40.714 38.487 0.212 0.000 1.653 483 N HN 0.604 nan 8.380 nan 0.000 0.480 484 S N 2.102 117.882 115.700 0.134 0.000 2.617 484 S HA 0.266 4.736 4.470 -0.001 0.000 0.237 484 S C 0.012 174.689 174.600 0.129 0.000 1.142 484 S CA -0.429 57.844 58.200 0.121 0.000 1.167 484 S CB -0.585 62.719 63.200 0.173 0.000 1.068 484 S HN 0.823 nan 8.310 nan 0.000 0.470 485 N N 1.037 119.824 118.700 0.145 0.000 2.948 485 N HA -0.140 4.600 4.740 -0.001 0.000 0.239 485 N C -0.673 174.929 175.510 0.154 0.000 0.954 485 N CA 1.012 54.158 53.050 0.161 0.000 0.941 485 N CB -0.781 37.797 38.487 0.152 0.000 1.101 485 N HN 0.457 nan 8.380 nan 0.000 0.579 486 D N 0.348 120.834 120.400 0.144 0.000 2.433 486 D HA 0.243 4.882 4.640 -0.001 0.000 0.255 486 D C 0.932 177.325 176.300 0.155 0.000 1.226 486 D CA 0.063 54.148 54.000 0.142 0.000 1.015 486 D CB 0.560 41.441 40.800 0.136 0.000 1.091 486 D HN 0.221 nan 8.370 nan 0.000 0.527 487 S N -0.792 115.005 115.700 0.161 0.000 2.617 487 S HA 0.200 4.670 4.470 -0.001 0.000 0.255 487 S C 1.241 175.931 174.600 0.151 0.000 1.318 487 S CA -0.033 58.265 58.200 0.162 0.000 0.978 487 S CB 0.817 64.113 63.200 0.159 0.000 0.961 487 S HN 0.513 nan 8.310 nan 0.000 0.582 488 A N -0.017 122.887 122.820 0.140 0.000 2.076 488 A HA -0.046 4.273 4.320 -0.001 0.000 0.220 488 A C 1.715 179.338 177.584 0.065 0.000 1.160 488 A CA 1.433 53.498 52.037 0.048 0.000 0.653 488 A CB -1.406 17.639 19.000 0.075 0.000 0.801 488 A HN 0.988 nan 8.150 nan 0.000 0.455 489 W N 0.494 121.785 121.300 -0.015 0.000 2.289 489 W HA -0.212 4.448 4.660 -0.001 0.000 0.331 489 W C 1.081 177.595 176.519 -0.007 0.000 1.283 489 W CA 2.085 59.446 57.345 0.027 0.000 1.252 489 W CB -0.600 28.896 29.460 0.061 0.000 1.153 489 W HN 0.221 nan 8.180 nan 0.000 0.467 490 L N 0.695 121.840 121.223 -0.130 0.000 2.984 490 L HA 0.117 4.456 4.340 -0.001 0.000 0.246 490 L C 1.724 178.479 176.870 -0.192 0.000 1.268 490 L CA 0.032 54.675 54.840 -0.329 0.000 1.054 490 L CB -0.552 41.232 42.059 -0.459 0.000 1.393 490 L HN -0.164 nan 8.230 nan 0.000 0.532 491 T N 0.048 114.468 114.554 -0.224 0.000 2.653 491 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 491 T C 1.013 175.609 174.700 -0.173 0.000 1.035 491 T CA 1.604 63.527 62.100 -0.296 0.000 1.154 491 T CB -0.161 68.339 68.868 -0.613 0.000 0.862 491 T HN 0.288 nan 8.240 nan 0.000 0.441 492 N N -0.035 118.533 118.700 -0.220 0.000 2.533 492 N HA 0.235 4.975 4.740 -0.001 0.000 0.289 492 N C -2.786 172.590 175.510 -0.224 0.000 1.103 492 N CA -1.932 50.938 53.050 -0.300 0.000 0.877 492 N CB 2.163 40.314 38.487 -0.559 0.000 1.419 492 N HN -0.152 nan 8.380 nan 0.000 0.517 493 P HA 0.005 nan 4.420 nan 0.000 0.228 493 P C 0.808 178.030 177.300 -0.131 0.000 1.151 493 P CA 0.721 63.716 63.100 -0.176 0.000 0.770 493 P CB 0.305 31.921 31.700 -0.140 0.000 0.786 494 A N -1.384 121.355 122.820 -0.135 0.000 2.119 494 A HA 0.023 4.342 4.320 -0.001 0.000 0.217 494 A C 1.510 179.044 177.584 -0.084 0.000 1.153 494 A CA 1.106 53.081 52.037 -0.103 0.000 0.692 494 A CB -0.465 18.463 19.000 -0.120 0.000 0.799 494 A HN 0.182 nan 8.150 nan 0.000 0.458 495 S N 0.513 116.156 115.700 -0.095 0.000 2.317 495 S HA 0.461 4.930 4.470 -0.001 0.000 0.144 495 S C -3.083 171.509 174.600 -0.014 0.000 1.660 495 S CA -1.400 56.774 58.200 -0.044 0.000 1.273 495 S CB 0.296 63.465 63.200 -0.051 0.000 1.330 495 S HN 0.080 nan 8.310 nan 0.000 0.395 496 P HA 0.224 nan 4.420 nan 0.000 0.268 496 P C -0.914 176.521 177.300 0.225 0.000 1.205 496 P CA -0.247 62.903 63.100 0.084 0.000 0.771 496 P CB 0.484 32.271 31.700 0.145 0.000 0.858 497 L N 3.558 124.976 121.223 0.325 0.000 2.255 497 L HA 0.337 4.677 4.340 -0.001 0.000 0.289 497 L C 0.625 177.824 176.870 0.549 0.000 1.046 497 L CA 0.042 55.140 54.840 0.431 0.000 0.816 497 L CB 0.256 42.521 42.059 0.343 0.000 1.197 497 L HN 0.346 nan 8.230 nan 0.000 0.427 498 Q N 1.369 121.418 119.800 0.414 0.000 2.484 498 Q HA 0.594 4.933 4.340 -0.001 0.000 0.285 498 Q C 0.494 176.476 176.000 -0.030 0.000 1.097 498 Q CA -0.481 55.454 55.803 0.221 0.000 0.802 498 Q CB 2.358 31.177 28.738 0.136 0.000 1.444 498 Q HN 0.712 nan 8.270 nan 0.000 0.429 499 G N 0.299 109.055 108.800 -0.074 0.000 2.132 499 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.234 499 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.234 499 G C -0.529 174.169 174.900 -0.336 0.000 0.989 499 G CA -0.190 44.779 45.100 -0.219 0.000 0.676 499 G HN 0.334 nan 8.290 nan 0.000 0.522 500 F N 0.931 120.886 119.950 0.007 0.000 2.380 500 F HA 0.710 5.236 4.527 -0.001 0.000 0.321 500 F C 1.302 177.100 175.800 -0.003 0.000 1.103 500 F CA -0.075 57.933 58.000 0.014 0.000 1.067 500 F CB 1.212 40.231 39.000 0.030 0.000 1.265 500 F HN 0.083 nan 8.300 nan 0.000 0.517 501 S N 2.626 118.445 115.700 0.199 0.000 2.558 501 S HA 0.039 4.508 4.470 -0.001 0.000 0.287 501 S C -1.319 173.317 174.600 0.060 0.000 1.321 501 S CA -1.100 57.156 58.200 0.093 0.000 1.048 501 S CB 0.545 63.795 63.200 0.084 0.000 0.844 501 S HN 0.401 nan 8.310 nan 0.000 0.512 502 P HA -0.064 nan 4.420 nan 0.000 0.222 502 P C 1.259 178.527 177.300 -0.054 0.000 1.147 502 P CA 1.003 64.089 63.100 -0.024 0.000 0.790 502 P CB -0.068 31.606 31.700 -0.043 0.000 0.780 503 L N -1.497 119.681 121.223 -0.075 0.000 2.456 503 L HA -0.064 4.276 4.340 -0.001 0.000 0.224 503 L C 2.289 179.089 176.870 -0.118 0.000 1.148 503 L CA 0.754 55.513 54.840 -0.136 0.000 0.825 503 L CB -0.415 41.537 42.059 -0.178 0.000 0.937 503 L HN -0.124 nan 8.230 nan 0.000 0.450 504 V N -2.826 117.062 119.914 -0.042 0.000 2.721 504 V HA 0.148 4.268 4.120 -0.001 0.000 0.236 504 V C 0.639 176.718 176.094 -0.025 0.000 1.116 504 V CA 0.479 62.761 62.300 -0.030 0.000 1.148 504 V CB 0.965 32.812 31.823 0.041 0.000 0.886 504 V HN 0.284 nan 8.190 nan 0.000 0.490 505 S N -0.589 115.125 115.700 0.024 0.000 2.563 505 S HA 0.519 4.988 4.470 -0.001 0.000 0.279 505 S C -1.569 173.066 174.600 0.058 0.000 1.155 505 S CA -0.600 57.619 58.200 0.031 0.000 0.928 505 S CB 1.586 64.766 63.200 -0.033 0.000 1.107 505 S HN 0.385 nan 8.310 nan 0.000 0.462 506 Q N 1.879 121.692 119.800 0.022 0.000 2.387 506 Q HA 0.408 4.747 4.340 -0.001 0.000 0.273 506 Q C -1.049 174.876 176.000 -0.126 0.000 1.089 506 Q CA -0.921 54.853 55.803 -0.048 0.000 0.824 506 Q CB 2.130 30.837 28.738 -0.051 0.000 1.367 506 Q HN 0.652 nan 8.270 nan 0.000 0.443 507 E N 2.077 122.057 120.200 -0.366 0.000 1.814 507 E HA 0.125 4.475 4.350 -0.001 0.000 0.264 507 E C -0.626 175.699 176.600 -0.457 0.000 1.179 507 E CA -0.058 55.824 56.400 -0.864 0.000 0.972 507 E CB 0.327 29.126 29.700 -1.502 0.000 1.077 507 E HN -0.002 nan 8.360 nan 0.000 0.417 508 K N 2.193 122.545 120.400 -0.081 0.000 2.221 508 K HA 0.444 4.763 4.320 -0.001 0.000 0.243 508 K C -2.503 174.110 176.600 0.022 0.000 0.968 508 K CA -2.622 53.630 56.287 -0.058 0.000 0.846 508 K CB 0.958 33.436 32.500 -0.037 0.000 1.141 508 K HN 0.107 nan 8.250 nan 0.000 0.434 509 P HA 0.064 nan 4.420 nan 0.000 0.265 509 P C -0.133 177.144 177.300 -0.038 0.000 1.193 509 P CA -0.009 62.807 63.100 -0.473 0.000 0.765 509 P CB 0.101 31.282 31.700 -0.865 0.000 0.823 510 I N -0.441 120.187 120.570 0.097 0.000 2.612 510 I HA 0.590 4.759 4.170 -0.001 0.000 0.295 510 I C 0.830 177.019 176.117 0.120 0.000 1.011 510 I CA -0.838 60.532 61.300 0.117 0.000 1.326 510 I CB 0.778 38.844 38.000 0.111 0.000 1.427 510 I HN 0.244 nan 8.210 nan 0.000 0.537 511 G N 3.410 112.289 108.800 0.133 0.000 2.636 511 G HA2 0.302 4.262 3.960 -0.001 0.000 0.246 511 G HA3 0.302 4.262 3.960 -0.001 0.000 0.246 511 G C -1.459 173.569 174.900 0.212 0.000 1.216 511 G CA -1.028 44.169 45.100 0.162 0.000 0.854 511 G HN 0.667 nan 8.290 nan 0.000 0.572 512 P HA -0.077 nan 4.420 nan 0.000 0.221 512 P C 1.543 179.048 177.300 0.342 0.000 1.150 512 P CA 0.773 64.118 63.100 0.408 0.000 0.800 512 P CB 0.284 32.269 31.700 0.475 0.000 0.787 513 R N 0.164 120.838 120.500 0.289 0.000 2.066 513 R HA -0.021 4.318 4.340 -0.001 0.000 0.232 513 R C 2.520 179.016 176.300 0.326 0.000 1.131 513 R CA 1.583 57.897 56.100 0.357 0.000 0.955 513 R CB -0.973 29.523 30.300 0.328 0.000 0.851 513 R HN 0.136 nan 8.270 nan 0.000 0.432 514 A N 1.097 124.047 122.820 0.217 0.000 1.930 514 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 514 A C 2.064 179.659 177.584 0.018 0.000 1.175 514 A CA 1.064 53.183 52.037 0.136 0.000 0.627 514 A CB -0.302 18.764 19.000 0.111 0.000 0.815 514 A HN 0.204 nan 8.150 nan 0.000 0.443 515 R N -2.123 118.390 120.500 0.022 0.000 2.096 515 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 515 R C 2.145 178.170 176.300 -0.459 0.000 1.127 515 R CA 1.664 57.724 56.100 -0.066 0.000 0.968 515 R CB -0.510 29.906 30.300 0.194 0.000 0.861 515 R HN 0.713 nan 8.270 nan 0.000 0.440 516 Y N 1.227 121.013 120.300 -0.856 0.000 2.114 516 Y HA -0.223 4.327 4.550 -0.001 0.000 0.284 516 Y C 2.264 177.793 175.900 -0.619 0.000 1.143 516 Y CA 1.392 58.806 58.100 -1.145 0.000 1.135 516 Y CB -0.496 37.514 38.460 -0.749 0.000 0.980 516 Y HN 0.033 nan 8.280 nan 0.000 0.499 517 A N 0.567 123.068 122.820 -0.530 0.000 1.883 517 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 517 A C 2.322 179.596 177.584 -0.515 0.000 1.186 517 A CA 1.973 53.653 52.037 -0.596 0.000 0.624 517 A CB -1.262 17.600 19.000 -0.230 0.000 0.822 517 A HN 0.574 nan 8.150 nan 0.000 0.444 518 L N 0.519 121.539 121.223 -0.337 0.000 2.131 518 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 518 L C 3.008 179.698 176.870 -0.300 0.000 1.092 518 L CA 1.527 56.211 54.840 -0.260 0.000 0.759 518 L CB -0.495 41.495 42.059 -0.114 0.000 0.903 518 L HN 0.646 nan 8.230 nan 0.000 0.435 519 S N -0.290 115.191 115.700 -0.366 0.000 2.399 519 S HA -0.141 4.329 4.470 -0.001 0.000 0.231 519 S C 2.087 176.467 174.600 -0.368 0.000 1.022 519 S CA 0.582 58.599 58.200 -0.306 0.000 0.983 519 S CB -0.171 62.871 63.200 -0.264 0.000 0.803 519 S HN 0.330 nan 8.310 nan 0.000 0.480 520 R N 0.918 121.088 120.500 -0.550 0.000 2.161 520 R HA 0.374 4.714 4.340 -0.001 0.000 0.213 520 R C 2.124 178.168 176.300 -0.426 0.000 1.055 520 R CA 0.520 56.316 56.100 -0.507 0.000 0.996 520 R CB -1.040 28.856 30.300 -0.674 0.000 0.901 520 R HN 0.462 nan 8.270 nan 0.000 0.456 521 L N 0.548 121.471 121.223 -0.501 0.000 2.298 521 L HA 0.085 4.424 4.340 -0.001 0.000 0.209 521 L C 0.874 177.468 176.870 -0.460 0.000 1.084 521 L CA 0.332 54.791 54.840 -0.635 0.000 0.816 521 L CB -0.083 41.285 42.059 -1.152 0.000 0.967 521 L HN 0.057 nan 8.230 nan 0.000 0.460 522 Q N 0.485 120.125 119.800 -0.267 0.000 2.392 522 Q HA 0.394 4.734 4.340 -0.001 0.000 0.262 522 Q C 0.363 176.332 176.000 -0.052 0.000 1.003 522 Q CA 0.770 56.544 55.803 -0.049 0.000 0.888 522 Q CB 1.055 29.784 28.738 -0.014 0.000 1.260 522 Q HN 0.299 nan 8.270 nan 0.000 0.435 523 G N 0.940 109.745 108.800 0.008 0.000 2.362 523 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.517 523 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.517 523 G C -0.540 174.365 174.900 0.008 0.000 1.256 523 G CA -0.551 44.543 45.100 -0.010 0.000 1.027 523 G HN 0.547 nan 8.290 nan 0.000 0.491 524 K N -0.126 120.269 120.400 -0.007 0.000 2.402 524 K HA 0.197 4.517 4.320 -0.001 0.000 0.204 524 K C 0.420 177.015 176.600 -0.009 0.000 1.056 524 K CA -0.304 55.983 56.287 0.001 0.000 1.069 524 K CB 0.559 33.057 32.500 -0.002 0.000 0.888 524 K HN 0.333 nan 8.250 nan 0.000 0.546 525 Q N 1.488 121.272 119.800 -0.027 0.000 2.327 525 Q HA 0.194 4.533 4.340 -0.001 0.000 0.254 525 Q C -2.439 173.541 176.000 -0.034 0.000 0.952 525 Q CA -2.219 53.563 55.803 -0.035 0.000 0.884 525 Q CB 0.176 28.885 28.738 -0.050 0.000 1.224 525 Q HN -0.011 nan 8.270 nan 0.000 0.422 526 P HA 0.063 nan 4.420 nan 0.000 0.267 526 P C -0.653 176.621 177.300 -0.044 0.000 1.200 526 P CA 0.141 63.226 63.100 -0.025 0.000 0.772 526 P CB 0.459 32.147 31.700 -0.021 0.000 0.855 527 L N 2.332 123.530 121.223 -0.041 0.000 2.296 527 L HA 0.388 4.727 4.340 -0.001 0.000 0.286 527 L C 0.727 177.568 176.870 -0.049 0.000 1.023 527 L CA -0.421 54.382 54.840 -0.061 0.000 0.812 527 L CB 1.105 43.121 42.059 -0.071 0.000 1.223 527 L HN 0.318 nan 8.230 nan 0.000 0.421 528 E N 0.977 121.141 120.200 -0.060 0.000 2.250 528 E HA 0.413 4.762 4.350 -0.001 0.000 0.269 528 E C 0.610 177.173 176.600 -0.062 0.000 1.018 528 E CA -0.279 56.088 56.400 -0.055 0.000 0.873 528 E CB 1.851 31.516 29.700 -0.059 0.000 1.134 528 E HN 0.690 nan 8.360 nan 0.000 0.403 529 A N 1.592 124.376 122.820 -0.061 0.000 1.903 529 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 529 A C 2.110 179.649 177.584 -0.075 0.000 1.191 529 A CA 2.368 54.367 52.037 -0.063 0.000 0.638 529 A CB -0.555 18.403 19.000 -0.071 0.000 0.823 529 A HN 0.374 nan 8.150 nan 0.000 0.451 530 K N -0.774 119.572 120.400 -0.091 0.000 2.103 530 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 530 K C 2.189 178.715 176.600 -0.124 0.000 1.048 530 K CA 2.328 58.543 56.287 -0.121 0.000 0.930 530 K CB -1.397 31.036 32.500 -0.110 0.000 0.716 530 K HN 0.752 nan 8.250 nan 0.000 0.444 531 T N 1.636 116.129 114.554 -0.103 0.000 2.746 531 T HA -0.019 4.330 4.350 -0.001 0.000 0.267 531 T C 1.832 176.473 174.700 -0.098 0.000 1.039 531 T CA 1.759 63.794 62.100 -0.108 0.000 1.142 531 T CB -0.258 68.543 68.868 -0.112 0.000 0.866 531 T HN 0.286 nan 8.240 nan 0.000 0.444 532 L N 0.635 121.815 121.223 -0.071 0.000 2.056 532 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 532 L C 2.834 179.724 176.870 0.033 0.000 1.078 532 L CA 1.435 56.264 54.840 -0.017 0.000 0.749 532 L CB -0.611 41.454 42.059 0.010 0.000 0.901 532 L HN 0.363 nan 8.230 nan 0.000 0.433 533 E N 0.917 121.091 120.200 -0.044 0.000 2.070 533 E HA -0.275 4.074 4.350 -0.001 0.000 0.197 533 E C 1.908 178.364 176.600 -0.239 0.000 1.004 533 E CA 1.680 57.935 56.400 -0.242 0.000 0.805 533 E CB 0.033 29.410 29.700 -0.537 0.000 0.744 533 E HN 0.486 nan 8.360 nan 0.000 0.451 534 E N -0.236 119.856 120.200 -0.180 0.000 2.268 534 E HA -0.154 4.196 4.350 -0.001 0.000 0.195 534 E C 2.078 178.669 176.600 -0.015 0.000 0.995 534 E CA 0.811 57.133 56.400 -0.129 0.000 0.836 534 E CB -0.052 29.570 29.700 -0.129 0.000 0.763 534 E HN 0.424 nan 8.360 nan 0.000 0.491 535 M N 0.077 119.696 119.600 0.031 0.000 2.213 535 M HA -0.163 4.316 4.480 -0.001 0.000 0.263 535 M C 2.184 178.652 176.300 0.281 0.000 1.062 535 M CA 1.121 56.501 55.300 0.133 0.000 1.105 535 M CB 0.015 32.610 32.600 -0.010 0.000 1.385 535 M HN 0.037 nan 8.290 nan 0.000 0.417 536 V N -0.457 119.648 119.914 0.320 0.000 2.302 536 V HA -0.169 3.951 4.120 -0.001 0.000 0.243 536 V C 2.474 178.709 176.094 0.235 0.000 1.036 536 V CA 2.173 64.715 62.300 0.403 0.000 1.020 536 V CB -1.175 30.993 31.823 0.575 0.000 0.657 536 V HN 0.585 nan 8.190 nan 0.000 0.453 537 T N -1.395 113.208 114.554 0.081 0.000 3.118 537 T HA 0.126 4.475 4.350 -0.001 0.000 0.260 537 T C 1.736 176.421 174.700 -0.025 0.000 1.139 537 T CA 0.944 63.034 62.100 -0.016 0.000 1.085 537 T CB -0.065 68.680 68.868 -0.204 0.000 0.934 537 T HN 0.391 nan 8.240 nan 0.000 0.518 538 A N 2.340 125.159 122.820 -0.001 0.000 2.015 538 A HA -0.000 4.320 4.320 -0.001 0.000 0.219 538 A C 1.342 178.920 177.584 -0.010 0.000 1.163 538 A CA 0.799 52.830 52.037 -0.010 0.000 0.646 538 A CB -0.658 18.350 19.000 0.013 0.000 0.806 538 A HN 0.601 nan 8.150 nan 0.000 0.448 539 N N -0.480 118.225 118.700 0.008 0.000 2.710 539 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 539 N C -0.184 175.259 175.510 -0.112 0.000 1.059 539 N CA 1.253 54.287 53.050 -0.026 0.000 0.720 539 N CB -1.858 36.618 38.487 -0.018 0.000 0.983 539 N HN 0.846 nan 8.380 nan 0.000 0.544 540 H N -0.145 118.795 119.070 -0.217 0.000 2.803 540 H HA 0.310 4.866 4.556 -0.001 0.000 0.330 540 H C -0.052 175.131 175.328 -0.241 0.000 1.057 540 H CA 0.021 55.913 56.048 -0.261 0.000 1.458 540 H CB 0.707 30.337 29.762 -0.219 0.000 1.470 540 H HN -0.036 nan 8.280 nan 0.000 0.560 541 V N 8.845 128.269 119.914 -0.817 0.000 2.276 541 V HA -0.060 4.060 4.120 -0.001 0.000 0.249 541 V C 1.065 176.880 176.094 -0.465 0.000 1.160 541 V CA 0.051 62.074 62.300 -0.462 0.000 1.042 541 V CB -1.089 30.528 31.823 -0.343 0.000 1.224 541 V HN 0.803 nan 8.190 nan 0.000 0.496 542 F N 3.189 122.983 119.950 -0.260 0.000 2.293 542 F HA -0.134 4.393 4.527 -0.001 0.000 0.300 542 F C 2.354 178.232 175.800 0.129 0.000 1.086 542 F CA 1.783 59.783 58.000 -0.000 0.000 1.375 542 F CB 0.194 39.314 39.000 0.200 0.000 1.045 542 F HN 0.457 nan 8.300 nan 0.000 0.516 543 S N 0.267 116.111 115.700 0.240 0.000 2.419 543 S HA -0.188 4.282 4.470 -0.001 0.000 0.235 543 S C 2.330 177.114 174.600 0.306 0.000 1.019 543 S CA 0.886 59.299 58.200 0.354 0.000 0.982 543 S CB -0.726 62.862 63.200 0.648 0.000 0.789 543 S HN 0.516 nan 8.310 nan 0.000 0.490 544 A N 1.823 124.641 122.820 -0.003 0.000 1.978 544 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 544 A C 1.705 179.186 177.584 -0.173 0.000 1.170 544 A CA 1.786 53.641 52.037 -0.304 0.000 0.636 544 A CB -0.681 17.850 19.000 -0.782 0.000 0.810 544 A HN 0.377 nan 8.150 nan 0.000 0.448 545 D N -0.702 119.537 120.400 -0.268 0.000 2.182 545 D HA -0.132 4.508 4.640 -0.001 0.000 0.201 545 D C 2.049 178.260 176.300 -0.148 0.000 0.986 545 D CA 1.464 55.304 54.000 -0.267 0.000 0.847 545 D CB -0.167 40.295 40.800 -0.563 0.000 0.942 545 D HN 0.537 nan 8.370 nan 0.000 0.467 546 Q N -0.862 118.902 119.800 -0.061 0.000 2.269 546 Q HA 0.022 4.361 4.340 -0.001 0.000 0.201 546 Q C 1.912 178.055 176.000 0.238 0.000 0.946 546 Q CA 0.723 56.601 55.803 0.126 0.000 0.877 546 Q CB 0.588 29.485 28.738 0.266 0.000 0.963 546 Q HN 0.407 nan 8.270 nan 0.000 0.472 547 V N -4.667 115.362 119.914 0.191 0.000 3.408 547 V HA 0.172 4.292 4.120 -0.001 0.000 0.263 547 V C 1.504 177.632 176.094 0.057 0.000 1.503 547 V CA -0.118 62.252 62.300 0.116 0.000 1.046 547 V CB -0.284 31.529 31.823 -0.017 0.000 0.851 547 V HN 0.149 nan 8.190 nan 0.000 0.435 548 L N 1.590 122.857 121.223 0.074 0.000 2.083 548 L HA 0.139 4.478 4.340 -0.001 0.000 0.209 548 L C -0.147 176.709 176.870 -0.023 0.000 1.083 548 L CA 2.538 57.389 54.840 0.018 0.000 0.752 548 L CB -1.329 40.713 42.059 -0.029 0.000 0.899 548 L HN 0.258 nan 8.230 nan 0.000 0.433 549 P HA -0.140 nan 4.420 nan 0.000 0.215 549 P C 1.006 178.298 177.300 -0.013 0.000 1.157 549 P CA 1.597 64.686 63.100 -0.018 0.000 0.868 549 P CB -0.056 31.640 31.700 -0.007 0.000 0.788 550 D N -1.165 119.235 120.400 0.000 0.000 2.183 550 D HA -0.091 4.549 4.640 -0.001 0.000 0.203 550 D C 1.889 178.165 176.300 -0.041 0.000 0.969 550 D CA 0.718 54.719 54.000 0.001 0.000 0.842 550 D CB -0.572 40.251 40.800 0.039 0.000 0.957 550 D HN 0.009 nan 8.370 nan 0.000 0.484 551 L N 0.890 122.059 121.223 -0.091 0.000 2.046 551 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 551 L C 2.266 179.060 176.870 -0.126 0.000 1.077 551 L CA 1.291 56.023 54.840 -0.180 0.000 0.747 551 L CB -0.623 41.252 42.059 -0.307 0.000 0.896 551 L HN 0.006 nan 8.230 nan 0.000 0.432 552 L N -1.082 120.092 121.223 -0.082 0.000 2.131 552 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 552 L C 2.733 179.574 176.870 -0.049 0.000 1.092 552 L CA 1.195 55.998 54.840 -0.062 0.000 0.759 552 L CB -0.570 41.463 42.059 -0.044 0.000 0.903 552 L HN 0.296 nan 8.230 nan 0.000 0.435 553 R N 0.701 121.179 120.500 -0.037 0.000 2.075 553 R HA -0.180 4.160 4.340 -0.001 0.000 0.232 553 R C 2.406 178.692 176.300 -0.024 0.000 1.126 553 R CA 1.357 57.443 56.100 -0.023 0.000 0.963 553 R CB -0.259 30.036 30.300 -0.008 0.000 0.858 553 R HN 0.321 nan 8.270 nan 0.000 0.435 554 L N 0.449 121.653 121.223 -0.032 0.000 2.042 554 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 554 L C 2.368 179.215 176.870 -0.038 0.000 1.076 554 L CA 1.661 56.484 54.840 -0.028 0.000 0.749 554 L CB -0.350 41.689 42.059 -0.034 0.000 0.893 554 L HN 0.354 nan 8.230 nan 0.000 0.432 555 c N 0.094 118.658 118.600 -0.060 0.000 2.398 555 c HA -0.186 4.383 4.570 -0.001 0.000 0.276 555 c C 2.818 176.882 174.090 -0.043 0.000 1.222 555 c CA 1.184 57.475 56.329 -0.062 0.000 1.746 555 c CB -1.161 41.300 42.510 -0.082 0.000 2.039 555 c HN 0.510 nan 8.230 nan 0.000 0.470 556 R N 0.492 120.970 120.500 -0.036 0.000 2.120 556 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 556 R C 1.466 177.754 176.300 -0.019 0.000 1.123 556 R CA 1.373 57.457 56.100 -0.026 0.000 0.975 556 R CB -0.435 29.852 30.300 -0.022 0.000 0.866 556 R HN 0.553 nan 8.270 nan 0.000 0.446 557 D N 0.154 120.544 120.400 -0.016 0.000 2.350 557 D HA -0.062 4.578 4.640 -0.001 0.000 0.216 557 D C 0.519 176.814 176.300 -0.009 0.000 0.968 557 D CA 0.941 54.935 54.000 -0.009 0.000 0.894 557 D CB -0.014 40.785 40.800 -0.003 0.000 0.909 557 D HN 0.162 nan 8.370 nan 0.000 0.520 558 N N 0.247 118.938 118.700 -0.015 0.000 2.433 558 N HA 0.026 4.765 4.740 -0.001 0.000 0.270 558 N C 0.123 175.622 175.510 -0.018 0.000 1.354 558 N CA 0.036 53.078 53.050 -0.014 0.000 0.889 558 N CB 0.633 39.111 38.487 -0.014 0.000 1.285 558 N HN 0.190 nan 8.380 nan 0.000 0.503 559 Q N 0.057 119.846 119.800 -0.018 0.000 2.274 559 Q HA 0.428 4.768 4.340 -0.001 0.000 0.280 559 Q C 1.252 177.242 176.000 -0.015 0.000 1.047 559 Q CA 0.591 56.382 55.803 -0.020 0.000 0.907 559 Q CB -0.146 28.582 28.738 -0.018 0.000 1.171 559 Q HN 0.524 nan 8.270 nan 0.000 0.381 560 G N -0.541 108.249 108.800 -0.016 0.000 2.176 560 G HA2 0.158 4.117 3.960 -0.001 0.000 0.232 560 G HA3 0.158 4.117 3.960 -0.001 0.000 0.232 560 G C 0.313 175.207 174.900 -0.010 0.000 0.986 560 G CA 0.704 45.797 45.100 -0.012 0.000 0.643 560 G HN 1.842 nan 8.290 nan 0.000 0.522 561 E N 0.228 120.421 120.200 -0.013 0.000 2.089 561 E HA 0.744 5.093 4.350 -0.001 0.000 0.284 561 E C 1.098 177.690 176.600 -0.012 0.000 1.023 561 E CA 0.870 57.264 56.400 -0.010 0.000 0.819 561 E CB 0.284 29.979 29.700 -0.009 0.000 1.076 561 E HN 1.441 nan 8.360 nan 0.000 0.396 562 K N 0.702 121.098 120.400 -0.007 0.000 2.152 562 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 562 K C 2.347 178.944 176.600 -0.004 0.000 1.048 562 K CA 2.007 58.290 56.287 -0.006 0.000 0.933 562 K CB -0.834 31.666 32.500 -0.002 0.000 0.721 562 K HN 1.023 nan 8.250 nan 0.000 0.447 563 S N 0.019 115.719 115.700 0.000 0.000 2.507 563 S HA 0.040 4.509 4.470 -0.001 0.000 0.235 563 S C 1.732 176.332 174.600 0.000 0.000 0.988 563 S CA 1.197 59.402 58.200 0.008 0.000 0.944 563 S CB -0.178 63.029 63.200 0.013 0.000 0.762 563 S HN 0.477 nan 8.310 nan 0.000 0.526 564 L N -0.186 121.025 121.223 -0.020 0.000 2.701 564 L HA 0.431 4.771 4.340 -0.001 0.000 0.238 564 L C 2.648 179.467 176.870 -0.085 0.000 1.106 564 L CA 0.478 55.289 54.840 -0.049 0.000 0.898 564 L CB -0.379 41.653 42.059 -0.044 0.000 1.188 564 L HN 0.342 nan 8.230 nan 0.000 0.508 565 A N 1.121 123.903 122.820 -0.063 0.000 1.865 565 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 565 A C 2.360 179.879 177.584 -0.108 0.000 1.191 565 A CA 1.694 53.689 52.037 -0.070 0.000 0.623 565 A CB -0.388 18.588 19.000 -0.040 0.000 0.826 565 A HN 0.304 nan 8.150 nan 0.000 0.444 566 R N -0.712 119.725 120.500 -0.105 0.000 2.081 566 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 566 R C 2.525 178.577 176.300 -0.412 0.000 1.131 566 R CA 1.238 57.253 56.100 -0.141 0.000 0.960 566 R CB -0.490 29.803 30.300 -0.013 0.000 0.856 566 R HN 0.530 nan 8.270 nan 0.000 0.436 567 A N 0.587 123.061 122.820 -0.576 0.000 1.877 567 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 567 A C 2.397 179.646 177.584 -0.560 0.000 1.186 567 A CA 1.517 52.942 52.037 -1.019 0.000 0.620 567 A CB -0.839 17.824 19.000 -0.562 0.000 0.822 567 A HN 0.463 nan 8.150 nan 0.000 0.443 568 c N -1.070 117.346 118.600 -0.307 0.000 2.440 568 c HA 0.126 4.695 4.570 -0.001 0.000 0.278 568 c C 3.305 177.302 174.090 -0.155 0.000 1.295 568 c CA 0.611 56.823 56.329 -0.195 0.000 1.738 568 c CB -1.325 41.106 42.510 -0.131 0.000 1.987 568 c HN 0.698 nan 8.230 nan 0.000 0.492 569 A N 0.690 123.418 122.820 -0.154 0.000 1.873 569 A HA 0.089 4.409 4.320 -0.001 0.000 0.215 569 A C 2.380 179.914 177.584 -0.084 0.000 1.186 569 A CA 1.991 53.971 52.037 -0.095 0.000 0.616 569 A CB -0.929 18.026 19.000 -0.075 0.000 0.823 569 A HN 0.549 nan 8.150 nan 0.000 0.442 570 A N -0.322 122.403 122.820 -0.158 0.000 1.902 570 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 570 A C 2.173 179.743 177.584 -0.024 0.000 1.181 570 A CA 1.531 53.513 52.037 -0.092 0.000 0.623 570 A CB -0.583 18.319 19.000 -0.163 0.000 0.818 570 A HN 0.470 nan 8.150 nan 0.000 0.443 571 L N -0.971 120.202 121.223 -0.084 0.000 2.093 571 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 571 L C 3.055 179.990 176.870 0.108 0.000 1.085 571 L CA 0.957 55.822 54.840 0.042 0.000 0.755 571 L CB -0.461 41.577 42.059 -0.035 0.000 0.904 571 L HN 0.424 nan 8.230 nan 0.000 0.435 572 A N -0.583 122.251 122.820 0.025 0.000 1.969 572 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 572 A C 2.173 179.783 177.584 0.043 0.000 1.169 572 A CA 1.348 53.397 52.037 0.019 0.000 0.635 572 A CB -0.330 18.662 19.000 -0.014 0.000 0.810 572 A HN 0.469 nan 8.150 nan 0.000 0.445 573 Q N -2.327 117.513 119.800 0.068 0.000 2.389 573 Q HA -0.049 4.290 4.340 -0.001 0.000 0.204 573 Q C 0.305 176.390 176.000 0.142 0.000 0.944 573 Q CA -0.083 55.767 55.803 0.078 0.000 0.908 573 Q CB 0.029 28.807 28.738 0.068 0.000 1.002 573 Q HN 0.752 nan 8.270 nan 0.000 0.493 574 W N 3.329 124.604 121.300 -0.042 0.000 2.210 574 W HA -0.026 4.634 4.660 -0.000 0.000 0.330 574 W C 0.380 176.855 176.519 -0.073 0.000 1.334 574 W CA -0.434 56.882 57.345 -0.048 0.000 1.227 574 W CB 0.601 30.027 29.460 -0.056 0.000 1.178 574 W HN 0.148 nan 8.180 nan 0.000 0.560 575 D N 4.358 124.606 120.400 -0.254 0.000 2.352 575 D HA -0.120 4.520 4.640 -0.001 0.000 0.232 575 D C 0.681 176.495 176.300 -0.809 0.000 1.055 575 D CA 0.181 53.939 54.000 -0.405 0.000 0.891 575 D CB -0.306 40.384 40.800 -0.182 0.000 0.897 575 D HN 0.681 nan 8.370 nan 0.000 0.529 576 R N -1.577 117.806 120.500 -1.863 0.000 3.758 576 R HA -0.112 4.228 4.340 -0.001 0.000 0.299 576 R C 0.616 176.132 176.300 -1.307 0.000 1.182 576 R CA 0.746 55.524 56.100 -2.204 0.000 0.809 576 R CB -2.050 27.568 30.300 -1.136 0.000 1.249 576 R HN 0.436 nan 8.270 nan 0.000 0.497 577 G N -1.340 106.934 108.800 -0.877 0.000 2.568 577 G HA2 0.699 4.658 3.960 -0.001 0.000 0.313 577 G HA3 0.699 4.658 3.960 -0.001 0.000 0.313 577 G C -0.260 174.380 174.900 -0.434 0.000 1.227 577 G CA -0.022 44.814 45.100 -0.440 0.000 0.979 577 G HN 0.186 nan 8.290 nan 0.000 0.486 578 A N 0.703 123.228 122.820 -0.492 0.000 2.793 578 A HA 0.384 4.703 4.320 -0.001 0.000 0.301 578 A C 0.563 178.166 177.584 0.032 0.000 1.172 578 A CA -0.630 51.055 52.037 -0.586 0.000 0.973 578 A CB -0.492 18.125 19.000 -0.639 0.000 1.164 578 A HN 0.496 nan 8.150 nan 0.000 0.542 579 N N 0.093 118.832 118.700 0.066 0.000 2.399 579 N HA 0.187 4.927 4.740 -0.001 0.000 0.250 579 N C 1.271 176.962 175.510 0.301 0.000 1.272 579 N CA -0.302 52.840 53.050 0.152 0.000 0.928 579 N CB 0.716 39.243 38.487 0.067 0.000 1.158 579 N HN 0.287 nan 8.380 nan 0.000 0.463 580 L N 0.284 121.632 121.223 0.208 0.000 2.043 580 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 580 L C 1.347 178.329 176.870 0.186 0.000 1.075 580 L CA 1.540 56.486 54.840 0.178 0.000 0.752 580 L CB -0.517 41.594 42.059 0.086 0.000 0.891 580 L HN 0.604 nan 8.230 nan 0.000 0.432 581 D N -1.973 118.517 120.400 0.150 0.000 2.339 581 D HA -0.013 4.626 4.640 -0.001 0.000 0.217 581 D C 0.670 177.072 176.300 0.171 0.000 1.050 581 D CA -0.090 53.990 54.000 0.133 0.000 0.856 581 D CB -0.108 40.742 40.800 0.082 0.000 0.922 581 D HN -0.033 nan 8.370 nan 0.000 0.518 582 S N 0.458 116.296 115.700 0.230 0.000 2.549 582 S HA 0.453 4.923 4.470 -0.001 0.000 0.286 582 S C 0.940 175.723 174.600 0.305 0.000 1.314 582 S CA -0.118 58.248 58.200 0.277 0.000 1.062 582 S CB 0.912 64.284 63.200 0.286 0.000 0.865 582 S HN 0.460 nan 8.310 nan 0.000 0.498 583 G N 1.358 110.340 108.800 0.304 0.000 2.651 583 G HA2 0.244 4.203 3.960 -0.001 0.000 0.260 583 G HA3 0.244 4.203 3.960 -0.001 0.000 0.260 583 G C 1.092 176.071 174.900 0.133 0.000 1.216 583 G CA -0.126 45.101 45.100 0.212 0.000 0.913 583 G HN 0.805 nan 8.290 nan 0.000 0.535 584 S N -0.935 114.832 115.700 0.111 0.000 2.500 584 S HA -0.056 4.413 4.470 -0.001 0.000 0.239 584 S C 2.351 176.964 174.600 0.020 0.000 0.989 584 S CA 1.218 59.467 58.200 0.080 0.000 0.951 584 S CB -0.488 62.794 63.200 0.138 0.000 0.759 584 S HN 0.966 nan 8.310 nan 0.000 0.523 585 G N 1.227 109.968 108.800 -0.098 0.000 2.503 585 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.221 585 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.221 585 G C 1.065 175.361 174.900 -1.006 0.000 1.131 585 G CA 0.995 45.867 45.100 -0.380 0.000 0.756 585 G HN 0.544 nan 8.290 nan 0.000 0.572 586 F N 1.415 120.444 119.950 -1.535 0.000 2.134 586 F HA -0.065 4.462 4.527 -0.001 0.000 0.299 586 F C 2.665 178.035 175.800 -0.716 0.000 1.097 586 F CA 1.004 58.184 58.000 -1.367 0.000 1.264 586 F CB -0.577 37.916 39.000 -0.845 0.000 1.001 586 F HN 0.035 nan 8.300 nan 0.000 0.479 587 V N -0.643 118.952 119.914 -0.531 0.000 2.307 587 V HA -0.317 3.802 4.120 -0.001 0.000 0.245 587 V C 2.203 178.053 176.094 -0.407 0.000 1.045 587 V CA 1.975 63.983 62.300 -0.487 0.000 1.024 587 V CB -1.093 30.560 31.823 -0.283 0.000 0.651 587 V HN 0.305 nan 8.190 nan 0.000 0.449 588 Y N -0.798 119.333 120.300 -0.281 0.000 2.165 588 Y HA -0.274 4.276 4.550 -0.001 0.000 0.286 588 Y C 2.283 178.082 175.900 -0.169 0.000 1.155 588 Y CA 2.318 60.306 58.100 -0.188 0.000 1.164 588 Y CB -0.696 37.672 38.460 -0.153 0.000 0.978 588 Y HN 0.269 nan 8.280 nan 0.000 0.513 589 F N 0.919 120.710 119.950 -0.265 0.000 2.102 589 F HA -0.269 4.258 4.527 -0.001 0.000 0.298 589 F C 2.240 177.895 175.800 -0.241 0.000 1.105 589 F CA 1.776 59.636 58.000 -0.232 0.000 1.239 589 F CB -0.603 38.157 39.000 -0.400 0.000 0.991 589 F HN 0.057 nan 8.300 nan 0.000 0.474 590 Q N -0.181 119.274 119.800 -0.575 0.000 2.061 590 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 590 Q C 2.286 178.057 176.000 -0.381 0.000 0.984 590 Q CA 1.655 56.937 55.803 -0.868 0.000 0.846 590 Q CB -0.259 27.852 28.738 -1.044 0.000 0.902 590 Q HN 0.290 nan 8.270 nan 0.000 0.421 591 R N -0.060 120.286 120.500 -0.256 0.000 2.092 591 R HA -0.101 4.238 4.340 -0.001 0.000 0.231 591 R C 2.040 178.293 176.300 -0.077 0.000 1.119 591 R CA 0.922 56.944 56.100 -0.129 0.000 0.970 591 R CB -0.791 29.439 30.300 -0.117 0.000 0.864 591 R HN 0.305 nan 8.270 nan 0.000 0.440 592 F N 1.337 121.169 119.950 -0.196 0.000 2.102 592 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 592 F C 2.161 177.859 175.800 -0.170 0.000 1.105 592 F CA 1.403 59.305 58.000 -0.164 0.000 1.239 592 F CB -0.119 38.774 39.000 -0.179 0.000 0.991 592 F HN -0.166 nan 8.300 nan 0.000 0.474 593 M N 0.276 119.672 119.600 -0.340 0.000 2.159 593 M HA -0.210 4.270 4.480 -0.001 0.000 0.263 593 M C 2.122 178.355 176.300 -0.111 0.000 1.063 593 M CA 1.531 56.665 55.300 -0.277 0.000 1.110 593 M CB -1.380 31.103 32.600 -0.194 0.000 1.374 593 M HN 0.343 nan 8.290 nan 0.000 0.411 594 Q N -0.675 119.090 119.800 -0.059 0.000 2.170 594 Q HA -0.142 4.197 4.340 -0.001 0.000 0.203 594 Q C 2.122 178.044 176.000 -0.129 0.000 0.976 594 Q CA 1.233 57.008 55.803 -0.047 0.000 0.858 594 Q CB -0.049 28.680 28.738 -0.016 0.000 0.907 594 Q HN 0.499 nan 8.270 nan 0.000 0.433 595 R N -0.892 119.482 120.500 -0.210 0.000 2.112 595 R HA -0.018 4.322 4.340 -0.001 0.000 0.216 595 R C 1.908 178.029 176.300 -0.298 0.000 1.080 595 R CA 0.601 56.562 56.100 -0.233 0.000 0.996 595 R CB -0.127 30.043 30.300 -0.217 0.000 0.902 595 R HN 0.167 nan 8.270 nan 0.000 0.449 596 F N 1.772 121.337 119.950 -0.642 0.000 2.171 596 F HA -0.139 4.388 4.527 -0.001 0.000 0.300 596 F C 2.154 177.719 175.800 -0.393 0.000 1.090 596 F CA 1.330 58.949 58.000 -0.634 0.000 1.293 596 F CB -0.269 38.220 39.000 -0.851 0.000 1.013 596 F HN -0.018 nan 8.300 nan 0.000 0.486 597 A N 0.047 122.735 122.820 -0.221 0.000 2.076 597 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 597 A C 1.922 179.377 177.584 -0.214 0.000 1.160 597 A CA 1.952 53.882 52.037 -0.179 0.000 0.653 597 A CB -1.401 17.567 19.000 -0.053 0.000 0.801 597 A HN 0.522 nan 8.150 nan 0.000 0.455 598 E N -0.493 119.569 120.200 -0.229 0.000 2.479 598 E HA 0.464 4.814 4.350 -0.001 0.000 0.193 598 E C 0.575 177.044 176.600 -0.218 0.000 1.049 598 E CA -0.044 56.245 56.400 -0.185 0.000 0.870 598 E CB -0.475 29.138 29.700 -0.144 0.000 0.944 598 E HN 0.660 nan 8.360 nan 0.000 0.492 599 L N 1.593 122.613 121.223 -0.339 0.000 2.371 599 L HA 0.334 4.673 4.340 -0.001 0.000 0.272 599 L C -0.597 176.091 176.870 -0.304 0.000 1.124 599 L CA -0.914 53.725 54.840 -0.335 0.000 0.816 599 L CB 1.329 43.118 42.059 -0.450 0.000 1.129 599 L HN 0.126 nan 8.230 nan 0.000 0.448 600 D N 1.914 122.198 120.400 -0.193 0.000 2.249 600 D HA 0.280 4.919 4.640 -0.001 0.000 0.246 600 D C 0.860 177.092 176.300 -0.114 0.000 1.114 600 D CA 0.375 54.298 54.000 -0.127 0.000 0.854 600 D CB 1.651 42.409 40.800 -0.070 0.000 1.132 600 D HN 0.781 nan 8.370 nan 0.000 0.461 601 G N 2.248 111.002 108.800 -0.076 0.000 2.305 601 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.287 601 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.287 601 G C 0.889 175.773 174.900 -0.027 0.000 1.036 601 G CA 0.436 45.533 45.100 -0.005 0.000 0.887 601 G HN 0.627 nan 8.290 nan 0.000 0.505 602 A N -1.192 121.524 122.820 -0.174 0.000 2.195 602 A HA 0.453 4.773 4.320 -0.001 0.000 0.210 602 A C 0.963 178.569 177.584 0.037 0.000 1.165 602 A CA 0.053 51.995 52.037 -0.158 0.000 0.806 602 A CB -0.008 18.738 19.000 -0.425 0.000 0.847 602 A HN 0.593 nan 8.150 nan 0.000 0.482 603 W N 0.902 122.274 121.300 0.120 0.000 2.251 603 W HA 0.239 4.898 4.660 -0.001 0.000 0.327 603 W C 1.458 178.073 176.519 0.160 0.000 1.361 603 W CA -0.211 57.263 57.345 0.214 0.000 1.234 603 W CB 0.805 30.373 29.460 0.180 0.000 1.212 603 W HN 0.202 nan 8.180 nan 0.000 0.557 604 K N 1.588 122.261 120.400 0.456 0.000 2.025 604 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 604 K C -0.167 176.569 176.600 0.226 0.000 1.049 604 K CA 1.282 57.734 56.287 0.274 0.000 0.933 604 K CB 0.105 32.740 32.500 0.225 0.000 0.714 604 K HN 0.457 nan 8.250 nan 0.000 0.438 605 E N 2.076 122.413 120.200 0.229 0.000 2.141 605 E HA 0.231 4.581 4.350 -0.001 0.000 0.259 605 E C -2.459 174.203 176.600 0.105 0.000 0.883 605 E CA -2.486 53.993 56.400 0.131 0.000 0.744 605 E CB 1.768 31.511 29.700 0.072 0.000 1.150 605 E HN 0.227 nan 8.360 nan 0.000 0.420 606 P HA -0.054 nan 4.420 nan 0.000 0.274 606 P C -0.132 177.189 177.300 0.035 0.000 1.260 606 P CA -0.524 62.635 63.100 0.100 0.000 0.793 606 P CB 0.537 32.340 31.700 0.171 0.000 1.048 607 F N 1.274 121.175 119.950 -0.082 0.000 2.604 607 F HA 0.020 4.547 4.527 -0.001 0.000 0.393 607 F C 0.261 176.073 175.800 0.019 0.000 1.043 607 F CA 0.564 58.541 58.000 -0.038 0.000 1.227 607 F CB -0.403 38.599 39.000 0.004 0.000 1.016 607 F HN 0.110 nan 8.300 nan 0.000 0.556 608 D N 5.153 125.103 120.400 -0.751 0.000 2.481 608 D HA 0.399 5.039 4.640 -0.001 0.000 0.246 608 D C 0.513 176.252 176.300 -0.935 0.000 1.109 608 D CA -0.040 53.568 54.000 -0.653 0.000 0.845 608 D CB 1.755 42.394 40.800 -0.269 0.000 1.160 608 D HN 0.670 nan 8.370 nan 0.000 0.534 609 A N 3.816 126.135 122.820 -0.835 0.000 2.070 609 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 609 A C 1.663 179.241 177.584 -0.010 0.000 1.159 609 A CA 1.210 53.050 52.037 -0.329 0.000 0.656 609 A CB -0.125 18.863 19.000 -0.019 0.000 0.800 609 A HN 0.566 nan 8.150 nan 0.000 0.453 610 Q N -0.799 118.948 119.800 -0.090 0.000 2.424 610 Q HA 0.078 4.418 4.340 -0.001 0.000 0.204 610 Q C 0.319 176.295 176.000 -0.041 0.000 0.933 610 Q CA 0.563 56.354 55.803 -0.020 0.000 0.929 610 Q CB 0.257 28.979 28.738 -0.026 0.000 1.037 610 Q HN 0.667 nan 8.270 nan 0.000 0.511 611 R N 0.865 121.310 120.500 -0.093 0.000 2.782 611 R HA 0.185 4.524 4.340 -0.001 0.000 0.293 611 R C -1.895 174.377 176.300 -0.047 0.000 1.333 611 R CA -1.042 55.019 56.100 -0.065 0.000 1.479 611 R CB 0.759 31.023 30.300 -0.059 0.000 1.306 611 R HN -0.019 nan 8.270 nan 0.000 0.654 612 P HA -0.099 nan 4.420 nan 0.000 0.230 612 P C 0.888 178.250 177.300 0.104 0.000 1.158 612 P CA 0.885 64.071 63.100 0.143 0.000 0.769 612 P CB 0.361 32.124 31.700 0.105 0.000 0.807 613 L N -0.643 120.594 121.223 0.024 0.000 2.375 613 L HA 0.099 4.438 4.340 -0.001 0.000 0.215 613 L C 1.277 178.196 176.870 0.083 0.000 1.108 613 L CA 0.993 55.854 54.840 0.034 0.000 0.830 613 L CB -0.414 41.639 42.059 -0.010 0.000 0.959 613 L HN -0.092 nan 8.230 nan 0.000 0.457 614 D N -0.540 119.898 120.400 0.064 0.000 2.469 614 D HA 0.088 4.728 4.640 -0.001 0.000 0.213 614 D C 0.563 176.883 176.300 0.034 0.000 1.135 614 D CA 0.410 54.448 54.000 0.062 0.000 0.834 614 D CB 1.098 41.920 40.800 0.036 0.000 1.009 614 D HN 0.248 nan 8.370 nan 0.000 0.507 615 T N -0.959 113.617 114.554 0.037 0.000 2.900 615 T HA 0.543 4.892 4.350 -0.001 0.000 0.295 615 T C -3.023 171.685 174.700 0.014 0.000 1.044 615 T CA -1.868 60.222 62.100 -0.017 0.000 0.995 615 T CB 3.090 71.938 68.868 -0.034 0.000 1.072 615 T HN -0.294 nan 8.240 nan 0.000 0.473 616 P HA 0.452 nan 4.420 nan 0.000 0.276 616 P C -1.076 175.884 177.300 -0.568 0.000 1.244 616 P CA -0.346 62.375 63.100 -0.632 0.000 0.801 616 P CB 0.818 31.531 31.700 -1.644 0.000 1.006 617 Q N 0.144 119.783 119.800 -0.267 0.000 2.352 617 Q HA 0.544 4.884 4.340 -0.001 0.000 0.270 617 Q C -0.799 175.391 176.000 0.317 0.000 1.006 617 Q CA 0.128 55.959 55.803 0.048 0.000 0.880 617 Q CB 1.325 30.084 28.738 0.036 0.000 1.392 617 Q HN 0.922 nan 8.270 nan 0.000 0.401 618 G N 2.123 111.170 108.800 0.412 0.000 2.758 618 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 618 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 618 G C -0.946 174.219 174.900 0.443 0.000 1.389 618 G CA -0.361 44.944 45.100 0.340 0.000 0.845 618 G HN 0.737 nan 8.290 nan 0.000 0.572 619 I N 0.870 121.603 120.570 0.272 0.000 2.377 619 I HA 0.547 4.717 4.170 -0.001 0.000 0.293 619 I C 1.088 177.331 176.117 0.211 0.000 0.987 619 I CA -0.547 60.914 61.300 0.268 0.000 1.185 619 I CB 1.986 40.093 38.000 0.178 0.000 1.341 619 I HN 0.933 nan 8.210 nan 0.000 0.455 620 A N 7.164 130.110 122.820 0.210 0.000 3.051 620 A HA 0.259 4.579 4.320 -0.001 0.000 0.257 620 A C 1.277 178.929 177.584 0.112 0.000 1.785 620 A CA -0.085 52.042 52.037 0.150 0.000 1.420 620 A CB -0.758 18.326 19.000 0.140 0.000 1.063 620 A HN 0.847 nan 8.150 nan 0.000 0.630 621 L N 0.106 121.391 121.223 0.103 0.000 2.353 621 L HA -0.154 4.186 4.340 -0.001 0.000 0.220 621 L C 2.192 179.098 176.870 0.060 0.000 1.133 621 L CA 1.225 56.111 54.840 0.078 0.000 0.798 621 L CB -0.337 41.761 42.059 0.065 0.000 0.922 621 L HN 0.746 nan 8.230 nan 0.000 0.445 622 D N 0.258 120.694 120.400 0.061 0.000 2.264 622 D HA -0.169 4.471 4.640 -0.001 0.000 0.208 622 D C 0.880 177.207 176.300 0.045 0.000 0.966 622 D CA 0.468 54.497 54.000 0.049 0.000 0.864 622 D CB -0.043 40.786 40.800 0.049 0.000 0.933 622 D HN 0.278 nan 8.370 nan 0.000 0.499 623 R N 1.311 121.842 120.500 0.052 0.000 2.210 623 R HA 0.197 4.537 4.340 -0.001 0.000 0.338 623 R C -1.673 174.650 176.300 0.039 0.000 1.062 623 R CA -1.467 54.659 56.100 0.044 0.000 0.902 623 R CB 1.173 31.502 30.300 0.048 0.000 1.050 623 R HN 0.002 nan 8.270 nan 0.000 0.461 624 P HA -0.268 nan 4.420 nan 0.000 0.216 624 P C 1.612 178.927 177.300 0.026 0.000 1.157 624 P CA 1.659 64.775 63.100 0.027 0.000 0.880 624 P CB 0.331 32.044 31.700 0.022 0.000 0.791 625 Q N -0.438 119.375 119.800 0.022 0.000 2.124 625 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 625 Q C 2.276 178.287 176.000 0.019 0.000 0.977 625 Q CA 2.147 57.959 55.803 0.016 0.000 0.850 625 Q CB -1.918 26.826 28.738 0.010 0.000 0.901 625 Q HN 0.139 nan 8.270 nan 0.000 0.429 626 V N 0.749 120.680 119.914 0.028 0.000 2.307 626 V HA -0.159 3.960 4.120 -0.001 0.000 0.245 626 V C 2.879 179.010 176.094 0.062 0.000 1.045 626 V CA 1.666 63.989 62.300 0.038 0.000 1.024 626 V CB -1.112 30.741 31.823 0.050 0.000 0.651 626 V HN 0.745 nan 8.190 nan 0.000 0.449 627 A N -0.014 122.843 122.820 0.060 0.000 1.892 627 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 627 A C 2.402 180.020 177.584 0.057 0.000 1.188 627 A CA 2.783 54.858 52.037 0.063 0.000 0.631 627 A CB -1.131 17.898 19.000 0.048 0.000 0.822 627 A HN 0.512 nan 8.150 nan 0.000 0.447 628 T N 0.079 114.658 114.554 0.041 0.000 2.652 628 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 628 T C 2.076 176.800 174.700 0.040 0.000 1.039 628 T CA 1.806 63.926 62.100 0.034 0.000 1.153 628 T CB -0.330 68.551 68.868 0.022 0.000 0.863 628 T HN 0.639 nan 8.240 nan 0.000 0.428 629 Q N 0.143 119.964 119.800 0.034 0.000 2.124 629 Q HA -0.051 4.289 4.340 -0.001 0.000 0.202 629 Q C 2.563 178.602 176.000 0.065 0.000 0.977 629 Q CA 1.015 56.834 55.803 0.026 0.000 0.850 629 Q CB -0.311 28.422 28.738 -0.007 0.000 0.901 629 Q HN 0.349 nan 8.270 nan 0.000 0.429 630 V N 0.764 120.748 119.914 0.117 0.000 2.379 630 V HA -0.240 3.880 4.120 -0.001 0.000 0.245 630 V C 2.313 178.548 176.094 0.236 0.000 1.044 630 V CA 1.806 64.248 62.300 0.238 0.000 1.036 630 V CB -0.528 31.468 31.823 0.290 0.000 0.664 630 V HN 0.301 nan 8.190 nan 0.000 0.453 631 R N -0.088 120.492 120.500 0.133 0.000 2.081 631 R HA -0.251 4.089 4.340 -0.001 0.000 0.235 631 R C 2.393 178.748 176.300 0.092 0.000 1.131 631 R CA 2.028 58.184 56.100 0.093 0.000 0.960 631 R CB -0.212 30.119 30.300 0.052 0.000 0.856 631 R HN 0.475 nan 8.270 nan 0.000 0.436 632 Q N 0.270 120.116 119.800 0.076 0.000 2.124 632 Q HA -0.064 4.275 4.340 -0.001 0.000 0.202 632 Q C 1.802 177.844 176.000 0.071 0.000 0.977 632 Q CA 2.079 57.916 55.803 0.056 0.000 0.850 632 Q CB -0.281 28.476 28.738 0.031 0.000 0.901 632 Q HN 0.439 nan 8.270 nan 0.000 0.429 633 A N -0.011 122.866 122.820 0.095 0.000 1.933 633 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 633 A C 1.980 179.690 177.584 0.210 0.000 1.175 633 A CA 1.536 53.625 52.037 0.086 0.000 0.628 633 A CB -0.765 18.235 19.000 -0.001 0.000 0.814 633 A HN 0.467 nan 8.150 nan 0.000 0.444 634 L N -0.532 120.882 121.223 0.320 0.000 2.072 634 L HA 0.075 4.415 4.340 -0.001 0.000 0.205 634 L C 2.652 179.610 176.870 0.146 0.000 1.079 634 L CA 1.956 56.967 54.840 0.284 0.000 0.752 634 L CB -0.784 41.341 42.059 0.111 0.000 0.906 634 L HN 0.321 nan 8.230 nan 0.000 0.436 635 A N -0.652 122.227 122.820 0.099 0.000 1.902 635 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 635 A C 1.986 179.610 177.584 0.067 0.000 1.181 635 A CA 1.939 54.016 52.037 0.067 0.000 0.623 635 A CB -0.823 18.204 19.000 0.045 0.000 0.818 635 A HN 0.513 nan 8.150 nan 0.000 0.443 636 D N 0.053 120.489 120.400 0.061 0.000 2.117 636 D HA -0.039 4.601 4.640 -0.001 0.000 0.197 636 D C 2.249 178.573 176.300 0.040 0.000 0.987 636 D CA 1.537 55.559 54.000 0.036 0.000 0.829 636 D CB -0.498 40.312 40.800 0.016 0.000 0.961 636 D HN 0.418 nan 8.370 nan 0.000 0.460 637 A N 1.067 123.930 122.820 0.072 0.000 1.902 637 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 637 A C 2.314 179.949 177.584 0.085 0.000 1.181 637 A CA 2.269 54.348 52.037 0.071 0.000 0.623 637 A CB -0.720 18.363 19.000 0.139 0.000 0.818 637 A HN 0.238 nan 8.150 nan 0.000 0.443 638 A N -0.129 122.789 122.820 0.164 0.000 1.902 638 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 638 A C 2.515 180.172 177.584 0.121 0.000 1.181 638 A CA 2.081 54.271 52.037 0.254 0.000 0.623 638 A CB -1.053 18.085 19.000 0.229 0.000 0.818 638 A HN 1.086 nan 8.150 nan 0.000 0.443 639 A N -0.737 122.124 122.820 0.068 0.000 1.940 639 A HA 0.020 4.339 4.320 -0.001 0.000 0.219 639 A C 2.159 179.741 177.584 -0.004 0.000 1.176 639 A CA 2.520 54.575 52.037 0.030 0.000 0.631 639 A CB -1.077 17.936 19.000 0.021 0.000 0.814 639 A HN 0.759 nan 8.150 nan 0.000 0.446 640 E N -0.661 119.527 120.200 -0.019 0.000 2.047 640 E HA -0.045 4.304 4.350 -0.001 0.000 0.191 640 E C 2.070 178.615 176.600 -0.092 0.000 0.987 640 E CA 1.505 57.874 56.400 -0.051 0.000 0.799 640 E CB -1.195 28.472 29.700 -0.055 0.000 0.752 640 E HN 0.403 nan 8.360 nan 0.000 0.449 641 V N 1.416 121.240 119.914 -0.149 0.000 2.343 641 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 641 V C 2.416 178.401 176.094 -0.182 0.000 1.051 641 V CA 2.337 64.474 62.300 -0.271 0.000 1.036 641 V CB -0.555 30.872 31.823 -0.661 0.000 0.654 641 V HN 0.595 nan 8.190 nan 0.000 0.451 642 E N -0.456 119.688 120.200 -0.094 0.000 2.208 642 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 642 E C 2.277 178.859 176.600 -0.029 0.000 0.988 642 E CA 0.724 57.105 56.400 -0.030 0.000 0.828 642 E CB -0.089 29.631 29.700 0.034 0.000 0.763 642 E HN 0.525 nan 8.360 nan 0.000 0.478 643 K N 0.972 121.352 120.400 -0.035 0.000 2.026 643 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 643 K C 1.220 177.797 176.600 -0.038 0.000 1.048 643 K CA 0.946 57.214 56.287 -0.030 0.000 0.929 643 K CB -0.149 32.333 32.500 -0.030 0.000 0.713 643 K HN 0.093 nan 8.250 nan 0.000 0.439 644 S N 0.011 115.678 115.700 -0.055 0.000 2.580 644 S HA 0.089 4.559 4.470 -0.001 0.000 0.266 644 S C 0.601 175.174 174.600 -0.045 0.000 1.354 644 S CA -0.492 57.675 58.200 -0.055 0.000 1.008 644 S CB 1.165 64.321 63.200 -0.073 0.000 0.898 644 S HN 0.259 nan 8.310 nan 0.000 0.555 645 G N 0.963 109.741 108.800 -0.037 0.000 2.865 645 G HA2 0.486 4.445 3.960 -0.001 0.000 0.292 645 G HA3 0.486 4.445 3.960 -0.001 0.000 0.292 645 G C -0.411 174.475 174.900 -0.023 0.000 0.800 645 G CA -0.643 44.443 45.100 -0.025 0.000 1.838 645 G HN 0.707 nan 8.290 nan 0.000 0.535 646 I N 3.670 124.225 120.570 -0.026 0.000 2.390 646 I HA 0.229 4.399 4.170 -0.001 0.000 0.283 646 I C -1.793 174.323 176.117 -0.002 0.000 1.016 646 I CA -1.972 59.317 61.300 -0.019 0.000 1.151 646 I CB 2.116 40.092 38.000 -0.041 0.000 1.293 646 I HN 0.262 nan 8.210 nan 0.000 0.458 647 P HA 0.110 nan 4.420 nan 0.000 0.264 647 P C -0.147 177.168 177.300 0.025 0.000 1.193 647 P CA 0.008 63.117 63.100 0.015 0.000 0.763 647 P CB 0.167 31.876 31.700 0.015 0.000 0.810 648 D N 1.035 121.452 120.400 0.029 0.000 2.493 648 D HA 0.365 5.005 4.640 -0.001 0.000 0.240 648 D C 1.392 177.717 176.300 0.041 0.000 1.142 648 D CA 0.334 54.358 54.000 0.040 0.000 0.872 648 D CB -0.152 nan 40.800 nan 0.000 1.173 648 D HN 0.775 nan 8.370 nan 0.000 0.467 649 G N 0.084 108.916 108.800 0.053 0.000 2.195 649 G HA2 0.200 4.159 3.960 -0.001 0.000 0.246 649 G HA3 0.200 4.159 3.960 -0.001 0.000 0.246 649 G C 0.777 175.713 174.900 0.060 0.000 0.984 649 G CA 0.627 45.760 45.100 0.054 0.000 0.633 649 G HN 2.022 nan 8.290 nan 0.000 0.525 650 A N 0.165 123.020 122.820 0.058 0.000 2.445 650 A HA 0.757 5.077 4.320 -0.001 0.000 0.242 650 A C 0.752 178.392 177.584 0.093 0.000 1.075 650 A CA 0.617 52.690 52.037 0.061 0.000 0.777 650 A CB 0.323 19.349 19.000 0.044 0.000 1.013 650 A HN 0.595 nan 8.150 nan 0.000 0.493 651 R N 0.208 120.772 120.500 0.106 0.000 2.875 651 R HA 0.259 4.598 4.340 -0.001 0.000 0.251 651 R C 1.001 177.437 176.300 0.227 0.000 1.123 651 R CA -0.774 55.428 56.100 0.170 0.000 1.064 651 R CB 0.782 31.173 30.300 0.151 0.000 1.205 651 R HN 0.984 nan 8.270 nan 0.000 0.503 652 W N 1.231 122.594 121.300 0.105 0.000 2.338 652 W HA -0.128 4.532 4.660 -0.001 0.000 0.304 652 W C 1.149 177.734 176.519 0.109 0.000 1.212 652 W CA 1.933 59.359 57.345 0.135 0.000 1.264 652 W CB -0.072 29.533 29.460 0.241 0.000 1.142 652 W HN 0.814 nan 8.180 nan 0.000 0.512 653 G N 0.267 109.088 108.800 0.036 0.000 2.509 653 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.218 653 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.218 653 G C 1.047 175.886 174.900 -0.101 0.000 1.124 653 G CA 1.037 46.082 45.100 -0.091 0.000 0.776 653 G HN 0.216 nan 8.290 nan 0.000 0.547 654 D N -0.278 120.093 120.400 -0.049 0.000 2.269 654 D HA -0.026 4.613 4.640 -0.001 0.000 0.208 654 D C 2.173 178.422 176.300 -0.085 0.000 0.963 654 D CA 0.438 54.412 54.000 -0.043 0.000 0.864 654 D CB 0.338 41.140 40.800 0.003 0.000 0.936 654 D HN 0.360 nan 8.370 nan 0.000 0.505 655 L N -0.067 121.057 121.223 -0.165 0.000 2.349 655 L HA 0.173 4.513 4.340 -0.001 0.000 0.200 655 L C 0.591 177.277 176.870 -0.306 0.000 1.064 655 L CA 0.696 55.420 54.840 -0.194 0.000 0.821 655 L CB 0.023 41.977 42.059 -0.176 0.000 1.027 655 L HN -0.232 nan 8.230 nan 0.000 0.476 656 Q N 0.965 120.399 119.800 -0.610 0.000 2.322 656 Q HA 0.538 4.877 4.340 -0.001 0.000 0.256 656 Q C -1.202 174.628 176.000 -0.284 0.000 0.960 656 Q CA -0.365 55.104 55.803 -0.557 0.000 0.934 656 Q CB 0.963 29.108 28.738 -0.987 0.000 1.200 656 Q HN 0.276 nan 8.270 nan 0.000 0.435 657 V N -0.040 119.792 119.914 -0.136 0.000 3.181 657 V HA 0.743 4.863 4.120 -0.001 0.000 0.308 657 V C -1.031 175.057 176.094 -0.010 0.000 1.214 657 V CA -0.961 61.298 62.300 -0.068 0.000 1.053 657 V CB 2.019 33.773 31.823 -0.115 0.000 1.069 657 V HN 0.592 nan 8.190 nan 0.000 0.441 658 S N 0.677 116.406 115.700 0.049 0.000 2.498 658 S HA 0.624 5.094 4.470 -0.001 0.000 0.317 658 S C -0.111 174.527 174.600 0.062 0.000 1.090 658 S CA -0.254 58.015 58.200 0.115 0.000 1.089 658 S CB 1.032 64.421 63.200 0.315 0.000 0.997 658 S HN 1.047 nan 8.310 nan 0.000 0.470 659 T N 5.765 120.351 114.554 0.053 0.000 2.884 659 T HA 0.391 4.740 4.350 -0.001 0.000 0.298 659 T C -0.235 174.505 174.700 0.066 0.000 0.998 659 T CA -0.366 61.752 62.100 0.031 0.000 1.124 659 T CB 0.224 69.118 68.868 0.045 0.000 0.931 659 T HN 0.417 nan 8.240 nan 0.000 0.531 660 R N 2.718 123.259 120.500 0.068 0.000 2.467 660 R HA 0.482 4.821 4.340 -0.001 0.000 0.299 660 R C 0.927 177.399 176.300 0.288 0.000 1.120 660 R CA -0.170 56.005 56.100 0.124 0.000 0.940 660 R CB 0.884 31.128 30.300 -0.093 0.000 1.161 660 R HN 1.004 nan 8.270 nan 0.000 0.506 661 G N 3.298 112.310 108.800 0.353 0.000 2.596 661 G HA2 -0.436 3.523 3.960 -0.001 0.000 0.304 661 G HA3 -0.436 3.523 3.960 -0.001 0.000 0.304 661 G C 0.566 175.530 174.900 0.107 0.000 1.189 661 G CA 0.649 45.859 45.100 0.183 0.000 0.986 661 G HN 0.638 nan 8.290 nan 0.000 0.548 662 Q N 0.484 120.330 119.800 0.076 0.000 2.360 662 Q HA 0.384 4.724 4.340 -0.001 0.000 0.202 662 Q C 0.386 176.404 176.000 0.031 0.000 0.915 662 Q CA 0.741 56.570 55.803 0.044 0.000 0.943 662 Q CB 0.375 29.133 28.738 0.033 0.000 1.064 662 Q HN 0.588 nan 8.270 nan 0.000 0.511 663 E N 1.309 121.534 120.200 0.042 0.000 2.281 663 E HA 0.532 4.882 4.350 -0.001 0.000 0.257 663 E C -0.754 175.843 176.600 -0.005 0.000 0.971 663 E CA -0.816 55.596 56.400 0.019 0.000 0.839 663 E CB 1.592 31.314 29.700 0.037 0.000 1.238 663 E HN 0.105 nan 8.360 nan 0.000 0.412 664 R N 0.148 120.631 120.500 -0.028 0.000 2.744 664 R HA 0.642 4.982 4.340 -0.001 0.000 0.279 664 R C -0.492 175.797 176.300 -0.017 0.000 0.977 664 R CA -0.604 55.464 56.100 -0.053 0.000 0.906 664 R CB 1.779 32.001 30.300 -0.130 0.000 1.197 664 R HN 0.361 nan 8.270 nan 0.000 0.463 665 I N 1.669 122.242 120.570 0.005 0.000 2.436 665 I HA 0.372 4.542 4.170 -0.001 0.000 0.289 665 I C -0.024 176.118 176.117 0.042 0.000 1.010 665 I CA -0.875 60.448 61.300 0.039 0.000 1.098 665 I CB 2.085 40.134 38.000 0.081 0.000 1.266 665 I HN 0.680 nan 8.210 nan 0.000 0.434 666 A N 7.739 130.574 122.820 0.024 0.000 2.477 666 A HA 0.505 4.825 4.320 -0.001 0.000 0.246 666 A C -0.349 177.269 177.584 0.057 0.000 1.078 666 A CA 0.188 52.226 52.037 0.002 0.000 0.770 666 A CB 0.053 19.048 19.000 -0.009 0.000 1.011 666 A HN 0.525 nan 8.150 nan 0.000 0.494 667 I N 4.635 125.228 120.570 0.039 0.000 2.418 667 I HA 0.353 4.522 4.170 -0.001 0.000 0.287 667 I C -2.345 173.855 176.117 0.138 0.000 1.008 667 I CA -2.316 59.081 61.300 0.162 0.000 1.104 667 I CB 1.651 39.786 38.000 0.225 0.000 1.264 667 I HN 0.448 nan 8.210 nan 0.000 0.438 668 P HA 0.520 nan 4.420 nan 0.000 0.279 668 P C -0.030 177.466 177.300 0.326 0.000 1.252 668 P CA 0.217 63.445 63.100 0.213 0.000 0.811 668 P CB 1.718 33.441 31.700 0.038 0.000 1.035 669 G N -0.760 108.283 108.800 0.405 0.000 2.497 669 G HA2 0.419 4.379 3.960 -0.001 0.000 0.686 669 G HA3 0.419 4.379 3.960 -0.001 0.000 0.686 669 G C -0.830 174.391 174.900 0.535 0.000 1.288 669 G CA -0.356 44.969 45.100 0.374 0.000 0.899 669 G HN 0.810 nan 8.290 nan 0.000 0.608 670 G N -1.060 107.989 108.800 0.415 0.000 2.645 670 G HA2 0.630 4.590 3.960 -0.001 0.000 0.292 670 G HA3 0.630 4.590 3.960 -0.001 0.000 0.292 670 G C -1.276 173.894 174.900 0.451 0.000 1.415 670 G CA 0.186 45.631 45.100 0.575 0.000 0.785 670 G HN 0.833 nan 8.290 nan 0.000 0.483 671 D N -0.193 120.540 120.400 0.556 0.000 2.455 671 D HA 0.166 4.806 4.640 -0.001 0.000 0.241 671 D C 1.706 178.139 176.300 0.222 0.000 1.138 671 D CA 0.771 54.974 54.000 0.339 0.000 0.877 671 D CB 1.413 42.375 40.800 0.269 0.000 1.187 671 D HN 0.422 nan 8.370 nan 0.000 0.451 672 G N 2.906 111.738 108.800 0.052 0.000 2.462 672 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.220 672 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.220 672 G C 1.198 176.067 174.900 -0.052 0.000 1.121 672 G CA 0.810 45.904 45.100 -0.010 0.000 0.758 672 G HN 0.667 nan 8.290 nan 0.000 0.559 673 H N -0.879 118.132 119.070 -0.099 0.000 2.518 673 H HA 0.055 4.610 4.556 -0.001 0.000 0.289 673 H C 1.190 176.414 175.328 -0.175 0.000 1.051 673 H CA 0.828 56.756 56.048 -0.199 0.000 1.280 673 H CB -0.066 29.458 29.762 -0.398 0.000 1.380 673 H HN 0.444 nan 8.280 nan 0.000 0.566 674 F N -0.769 119.385 119.950 0.340 0.000 2.660 674 F HA 0.294 4.821 4.527 -0.001 0.000 0.302 674 F C 1.622 177.628 175.800 0.344 0.000 1.103 674 F CA 0.324 58.556 58.000 0.386 0.000 1.340 674 F CB 0.116 39.399 39.000 0.471 0.000 1.048 674 F HN 0.174 nan 8.300 nan 0.000 0.551 675 G N 0.602 109.640 108.800 0.396 0.000 2.147 675 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.244 675 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.244 675 G C -0.120 174.924 174.900 0.240 0.000 1.005 675 G CA 0.081 45.401 45.100 0.367 0.000 0.713 675 G HN 0.163 nan 8.290 nan 0.000 0.515 676 V N 0.787 120.831 119.914 0.216 0.000 2.408 676 V HA 0.293 4.413 4.120 -0.001 0.000 0.267 676 V C 1.456 177.645 176.094 0.159 0.000 1.047 676 V CA -0.382 61.989 62.300 0.117 0.000 0.937 676 V CB 0.857 32.766 31.823 0.143 0.000 0.999 676 V HN 0.303 nan 8.190 nan 0.000 0.472 677 Y N 4.224 124.495 120.300 -0.047 0.000 2.128 677 Y HA -0.166 4.383 4.550 -0.001 0.000 0.284 677 Y C 1.870 177.892 175.900 0.204 0.000 1.154 677 Y CA 1.878 60.036 58.100 0.098 0.000 1.149 677 Y CB -0.013 38.501 38.460 0.090 0.000 0.976 677 Y HN 0.719 nan 8.280 nan 0.000 0.505 678 N N 1.431 120.290 118.700 0.265 0.000 2.744 678 N HA 0.137 4.876 4.740 -0.001 0.000 0.290 678 N C -1.043 174.551 175.510 0.139 0.000 1.206 678 N CA 0.390 53.593 53.050 0.256 0.000 1.119 678 N CB -0.469 38.201 38.487 0.304 0.000 1.449 678 N HN 0.270 nan 8.380 nan 0.000 0.514 679 A N 3.646 126.382 122.820 -0.140 0.000 2.409 679 A HA 0.434 4.753 4.320 -0.001 0.000 0.267 679 A C -0.239 177.282 177.584 -0.106 0.000 1.127 679 A CA -0.223 51.664 52.037 -0.249 0.000 0.795 679 A CB 0.136 18.727 19.000 -0.681 0.000 1.061 679 A HN 0.543 nan 8.150 nan 0.000 0.502 680 I N 2.367 122.984 120.570 0.078 0.000 2.499 680 I HA 0.289 4.459 4.170 -0.001 0.000 0.288 680 I C -0.095 176.080 176.117 0.096 0.000 1.048 680 I CA -0.158 61.194 61.300 0.087 0.000 1.062 680 I CB 1.629 39.738 38.000 0.181 0.000 1.238 680 I HN 0.845 nan 8.210 nan 0.000 0.426 681 Q N 4.944 124.746 119.800 0.004 0.000 2.271 681 Q HA 0.616 4.956 4.340 -0.001 0.000 0.258 681 Q C -0.790 175.189 176.000 -0.035 0.000 0.936 681 Q CA -0.316 55.504 55.803 0.028 0.000 0.909 681 Q CB 1.709 30.463 28.738 0.026 0.000 1.253 681 Q HN 0.820 nan 8.270 nan 0.000 0.440 682 S N 1.599 117.313 115.700 0.022 0.000 2.632 682 S HA 0.808 5.278 4.470 -0.001 0.000 0.289 682 S C -0.592 174.003 174.600 -0.009 0.000 1.115 682 S CA -0.680 57.509 58.200 -0.019 0.000 0.889 682 S CB 1.619 64.814 63.200 -0.008 0.000 1.116 682 S HN 0.608 nan 8.310 nan 0.000 0.486 683 V N -1.169 118.721 119.914 -0.040 0.000 2.876 683 V HA 0.832 4.951 4.120 -0.001 0.000 0.312 683 V C -0.423 175.617 176.094 -0.089 0.000 1.085 683 V CA -1.186 61.084 62.300 -0.050 0.000 0.945 683 V CB 1.581 33.373 31.823 -0.052 0.000 1.017 683 V HN 1.020 nan 8.190 nan 0.000 0.428 684 R N 2.994 123.438 120.500 -0.094 0.000 2.484 684 R HA 0.397 4.737 4.340 -0.001 0.000 0.293 684 R C -0.384 175.798 176.300 -0.196 0.000 1.023 684 R CA 0.573 56.587 56.100 -0.143 0.000 1.037 684 R CB -0.201 30.035 30.300 -0.106 0.000 0.951 684 R HN 0.885 nan 8.270 nan 0.000 0.418 685 K N 3.586 123.771 120.400 -0.359 0.000 2.578 685 K HA 0.355 4.675 4.320 -0.001 0.000 0.250 685 K C 0.208 176.507 176.600 -0.502 0.000 0.955 685 K CA -0.218 55.834 56.287 -0.391 0.000 0.825 685 K CB 1.946 34.229 32.500 -0.361 0.000 1.151 685 K HN 0.805 nan 8.250 nan 0.000 0.432 686 G N 3.680 112.349 108.800 -0.217 0.000 2.660 686 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.321 686 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.321 686 G C 0.427 175.270 174.900 -0.095 0.000 1.246 686 G CA 1.058 46.094 45.100 -0.106 0.000 1.000 686 G HN 0.816 nan 8.290 nan 0.000 0.550 687 D N 1.238 121.648 120.400 0.017 0.000 2.328 687 D HA 0.152 4.792 4.640 -0.001 0.000 0.226 687 D C 1.014 177.356 176.300 0.070 0.000 1.066 687 D CA 1.343 55.370 54.000 0.045 0.000 0.861 687 D CB -0.394 40.450 40.800 0.073 0.000 0.912 687 D HN 1.009 nan 8.370 nan 0.000 0.521 688 H N -1.698 117.340 119.070 -0.052 0.000 2.949 688 H HA 0.497 5.053 4.556 -0.001 0.000 0.356 688 H C -1.099 174.179 175.328 -0.083 0.000 1.212 688 H CA -1.275 54.727 56.048 -0.076 0.000 1.136 688 H CB 0.710 30.428 29.762 -0.074 0.000 1.869 688 H HN -0.158 nan 8.280 nan 0.000 0.556 689 L N 1.568 122.769 121.223 -0.038 0.000 2.264 689 L HA 0.232 4.571 4.340 -0.001 0.000 0.289 689 L C 0.077 176.956 176.870 0.016 0.000 1.044 689 L CA -0.552 54.237 54.840 -0.085 0.000 0.807 689 L CB 1.224 43.214 42.059 -0.115 0.000 1.192 689 L HN 0.595 nan 8.230 nan 0.000 0.425 690 E N 2.865 123.068 120.200 0.006 0.000 2.174 690 E HA 0.275 4.625 4.350 -0.001 0.000 0.282 690 E C -0.866 175.707 176.600 -0.044 0.000 0.992 690 E CA -0.554 55.892 56.400 0.078 0.000 0.803 690 E CB 1.492 31.247 29.700 0.091 0.000 1.090 690 E HN 0.253 nan 8.360 nan 0.000 0.396 691 V N 5.925 125.771 119.914 -0.114 0.000 2.529 691 V HA 0.020 4.139 4.120 -0.001 0.000 0.292 691 V C 1.145 177.065 176.094 -0.290 0.000 1.028 691 V CA 0.604 62.712 62.300 -0.320 0.000 1.074 691 V CB 0.841 32.269 31.823 -0.660 0.000 0.958 691 V HN 0.756 nan 8.190 nan 0.000 0.481 692 V N 1.746 121.494 119.914 -0.277 0.000 3.612 692 V HA 0.756 4.876 4.120 -0.001 0.000 0.268 692 V C 0.654 176.672 176.094 -0.127 0.000 1.365 692 V CA 0.813 63.031 62.300 -0.136 0.000 1.044 692 V CB 0.204 31.991 31.823 -0.060 0.000 0.820 692 V HN 0.983 nan 8.190 nan 0.000 0.444 693 G N -1.977 106.647 108.800 -0.293 0.000 2.559 693 G HA2 0.711 4.670 3.960 -0.001 0.000 0.291 693 G HA3 0.711 4.670 3.960 -0.001 0.000 0.291 693 G C -0.319 174.554 174.900 -0.044 0.000 1.424 693 G CA 0.122 45.199 45.100 -0.039 0.000 0.786 693 G HN 1.414 nan 8.290 nan 0.000 0.485 694 G N -1.478 107.521 108.800 0.333 0.000 2.236 694 G HA2 0.407 4.367 3.960 -0.001 0.000 0.231 694 G HA3 0.407 4.367 3.960 -0.001 0.000 0.231 694 G C -0.004 175.241 174.900 0.574 0.000 1.334 694 G CA 0.227 45.513 45.100 0.311 0.000 1.137 694 G HN 1.496 nan 8.290 nan 0.000 0.482 695 T N 1.332 116.159 114.554 0.455 0.000 2.867 695 T HA 0.394 4.744 4.350 -0.001 0.000 0.290 695 T C 1.285 176.164 174.700 0.299 0.000 1.025 695 T CA 1.647 64.001 62.100 0.422 0.000 1.146 695 T CB 0.302 69.389 68.868 0.364 0.000 1.024 695 T HN 1.632 nan 8.240 nan 0.000 0.519 696 S N 2.823 118.569 115.700 0.078 0.000 3.830 696 S HA 0.232 4.702 4.470 -0.001 0.000 0.172 696 S C -0.276 174.069 174.600 -0.424 0.000 0.966 696 S CA -0.687 57.424 58.200 -0.148 0.000 1.124 696 S CB 0.060 63.568 63.200 0.515 0.000 1.697 696 S HN 0.572 nan 8.310 nan 0.000 0.872 697 Y N 3.124 123.170 120.300 -0.423 0.000 2.393 697 Y HA 0.681 5.231 4.550 -0.001 0.000 0.338 697 Y C -0.708 174.897 175.900 -0.492 0.000 1.029 697 Y CA -1.637 56.130 58.100 -0.556 0.000 1.239 697 Y CB 0.126 38.128 38.460 -0.763 0.000 1.170 697 Y HN 0.374 nan 8.280 nan 0.000 0.515 698 I N 7.147 127.122 120.570 -0.991 0.000 2.404 698 I HA 0.328 4.498 4.170 -0.001 0.000 0.293 698 I C -1.000 174.368 176.117 -1.248 0.000 0.992 698 I CA -0.761 59.929 61.300 -1.017 0.000 1.149 698 I CB 1.664 39.029 38.000 -1.059 0.000 1.315 698 I HN 0.607 nan 8.210 nan 0.000 0.446 699 Q N 6.440 125.640 119.800 -1.001 0.000 2.305 699 Q HA 0.681 5.020 4.340 -0.001 0.000 0.271 699 Q C -1.846 173.883 176.000 -0.452 0.000 1.046 699 Q CA -0.970 54.393 55.803 -0.732 0.000 0.798 699 Q CB 2.870 31.209 28.738 -0.665 0.000 1.286 699 Q HN 0.514 nan 8.270 nan 0.000 0.435 700 L N 3.276 124.295 121.223 -0.339 0.000 2.342 700 L HA 0.633 4.973 4.340 -0.001 0.000 0.276 700 L C -1.808 174.869 176.870 -0.322 0.000 0.997 700 L CA -0.589 54.129 54.840 -0.203 0.000 0.838 700 L CB 1.970 44.044 42.059 0.024 0.000 1.224 700 L HN 0.675 nan 8.230 nan 0.000 0.416 701 V N 3.795 123.476 119.914 -0.388 0.000 2.495 701 V HA 0.795 4.914 4.120 -0.001 0.000 0.298 701 V C 0.228 175.960 176.094 -0.603 0.000 1.031 701 V CA -0.161 61.767 62.300 -0.620 0.000 0.871 701 V CB 1.842 33.206 31.823 -0.766 0.000 0.988 701 V HN 0.886 nan 8.190 nan 0.000 0.432 702 T N 0.176 114.327 114.554 -0.672 0.000 2.888 702 T HA 0.768 5.118 4.350 -0.001 0.000 0.288 702 T C -0.877 173.363 174.700 -0.767 0.000 1.063 702 T CA -0.518 61.247 62.100 -0.559 0.000 1.010 702 T CB 1.922 70.645 68.868 -0.242 0.000 1.214 702 T HN 0.178 nan 8.240 nan 0.000 0.533 703 F N 1.695 121.614 119.950 -0.051 0.000 2.542 703 F HA 0.392 4.918 4.527 -0.001 0.000 0.323 703 F C -2.285 173.514 175.800 -0.001 0.000 1.411 703 F CA -2.134 55.852 58.000 -0.023 0.000 1.124 703 F CB 0.698 39.705 39.000 0.012 0.000 1.331 703 F HN 0.334 nan 8.300 nan 0.000 0.560 704 P HA 0.189 nan 4.420 nan 0.000 0.272 704 P C 0.928 178.287 177.300 0.099 0.000 1.240 704 P CA 0.351 63.495 63.100 0.074 0.000 0.791 704 P CB 0.722 32.437 31.700 0.025 0.000 0.978 705 E N 0.945 121.193 120.200 0.080 0.000 2.130 705 E HA -0.268 4.082 4.350 -0.001 0.000 0.196 705 E C 1.569 178.221 176.600 0.087 0.000 0.998 705 E CA 2.065 58.516 56.400 0.084 0.000 0.806 705 E CB -1.385 28.352 29.700 0.062 0.000 0.738 705 E HN 0.684 nan 8.360 nan 0.000 0.459 706 E N -0.937 119.306 120.200 0.072 0.000 2.204 706 E HA 0.353 4.702 4.350 -0.001 0.000 0.194 706 E C 1.128 177.784 176.600 0.093 0.000 0.989 706 E CA 0.730 57.173 56.400 0.071 0.000 0.824 706 E CB 0.309 30.042 29.700 0.055 0.000 0.756 706 E HN 0.712 nan 8.360 nan 0.000 0.477 707 G N -0.281 108.583 108.800 0.107 0.000 2.352 707 G HA2 0.135 4.095 3.960 -0.001 0.000 0.302 707 G HA3 0.135 4.095 3.960 -0.001 0.000 0.302 707 G C -3.045 171.923 174.900 0.112 0.000 1.370 707 G CA -1.067 44.120 45.100 0.144 0.000 0.918 707 G HN -0.152 nan 8.290 nan 0.000 0.610 708 P HA 0.253 nan 4.420 nan 0.000 0.267 708 P C -0.751 176.427 177.300 -0.204 0.000 1.205 708 P CA 0.165 63.198 63.100 -0.113 0.000 0.765 708 P CB 1.145 32.758 31.700 -0.145 0.000 0.828 709 K N 2.452 122.651 120.400 -0.334 0.000 2.316 709 K HA 0.615 4.935 4.320 -0.001 0.000 0.267 709 K C -1.042 175.285 176.600 -0.456 0.000 1.025 709 K CA -0.618 55.499 56.287 -0.283 0.000 0.896 709 K CB 0.519 32.908 32.500 -0.185 0.000 1.124 709 K HN 0.512 nan 8.250 nan 0.000 0.451 710 A N 4.468 127.009 122.820 -0.465 0.000 2.365 710 A HA 0.651 4.971 4.320 -0.001 0.000 0.318 710 A C -1.154 176.258 177.584 -0.286 0.000 1.091 710 A CA -0.879 50.813 52.037 -0.574 0.000 0.763 710 A CB 1.281 19.626 19.000 -1.092 0.000 1.248 710 A HN 0.853 nan 8.150 nan 0.000 0.442 711 R N 1.159 121.521 120.500 -0.231 0.000 2.673 711 R HA 0.692 5.031 4.340 -0.001 0.000 0.281 711 R C 0.015 176.232 176.300 -0.138 0.000 0.991 711 R CA 0.381 56.432 56.100 -0.080 0.000 0.896 711 R CB 2.013 32.334 30.300 0.035 0.000 1.201 711 R HN 1.610 nan 8.270 nan 0.000 0.457 712 G N 2.178 110.887 108.800 -0.153 0.000 2.399 712 G HA2 0.314 4.274 3.960 -0.001 0.000 0.256 712 G HA3 0.314 4.274 3.960 -0.001 0.000 0.256 712 G C -2.003 172.654 174.900 -0.405 0.000 1.236 712 G CA -0.625 44.171 45.100 -0.507 0.000 0.914 712 G HN 0.502 nan 8.290 nan 0.000 0.482 713 L N -0.993 119.924 121.223 -0.510 0.000 2.869 713 L HA 0.520 4.860 4.340 -0.001 0.000 0.265 713 L C -1.778 174.883 176.870 -0.349 0.000 1.011 713 L CA -0.775 53.872 54.840 -0.322 0.000 0.913 713 L CB 2.343 44.244 42.059 -0.264 0.000 1.490 713 L HN 0.646 nan 8.230 nan 0.000 0.410 714 L N 1.466 122.510 121.223 -0.298 0.000 2.277 714 L HA 0.571 4.911 4.340 -0.001 0.000 0.284 714 L C 0.871 177.327 176.870 -0.690 0.000 1.028 714 L CA 0.240 54.797 54.840 -0.471 0.000 0.835 714 L CB 1.321 43.173 42.059 -0.346 0.000 1.215 714 L HN 0.745 nan 8.230 nan 0.000 0.425 715 A N 5.035 127.268 122.820 -0.978 0.000 1.917 715 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 715 A C 1.493 178.518 177.584 -0.932 0.000 1.182 715 A CA 2.329 53.733 52.037 -1.056 0.000 0.633 715 A CB -0.933 17.127 19.000 -1.567 0.000 0.819 715 A HN 0.852 nan 8.150 nan 0.000 0.448 716 F N -1.966 117.445 119.950 -0.900 0.000 2.693 716 F HA 0.507 5.034 4.527 -0.001 0.000 0.303 716 F C 0.449 176.042 175.800 -0.344 0.000 1.097 716 F CA -0.112 57.414 58.000 -0.791 0.000 1.330 716 F CB -0.676 37.709 39.000 -1.025 0.000 1.067 716 F HN 0.023 nan 8.300 nan 0.000 0.565 717 S N 0.650 116.258 115.700 -0.153 0.000 3.663 717 S HA -0.211 4.258 4.470 -0.001 0.000 0.779 717 S C 0.687 175.373 174.600 0.142 0.000 1.254 717 S CA -0.072 58.128 58.200 -0.001 0.000 1.164 717 S CB -0.330 62.897 63.200 0.046 0.000 0.532 717 S HN 0.535 nan 8.310 nan 0.000 0.505 718 Q N 0.154 120.028 119.800 0.123 0.000 2.124 718 Q HA -0.016 4.324 4.340 -0.001 0.000 0.202 718 Q C 1.167 177.363 176.000 0.327 0.000 0.977 718 Q CA 1.600 57.505 55.803 0.170 0.000 0.850 718 Q CB -0.044 28.729 28.738 0.057 0.000 0.901 718 Q HN 0.665 nan 8.270 nan 0.000 0.429 719 S N -0.192 115.691 115.700 0.304 0.000 2.451 719 S HA 0.216 4.685 4.470 -0.001 0.000 0.301 719 S C 0.767 175.551 174.600 0.307 0.000 1.116 719 S CA -0.309 58.064 58.200 0.288 0.000 1.093 719 S CB 1.242 64.606 63.200 0.273 0.000 1.017 719 S HN 0.251 nan 8.310 nan 0.000 0.482 720 S N 2.560 118.392 115.700 0.221 0.000 2.603 720 S HA 0.103 4.572 4.470 -0.001 0.000 0.220 720 S C 0.247 174.962 174.600 0.191 0.000 0.967 720 S CA -0.145 58.186 58.200 0.219 0.000 0.920 720 S CB -0.140 63.113 63.200 0.088 0.000 0.773 720 S HN 0.736 nan 8.310 nan 0.000 0.529 721 D N 2.412 122.869 120.400 0.095 0.000 2.274 721 D HA 0.300 4.939 4.640 -0.001 0.000 0.239 721 D C -2.030 174.004 176.300 -0.443 0.000 1.104 721 D CA -2.155 51.782 54.000 -0.105 0.000 0.840 721 D CB 1.924 42.692 40.800 -0.054 0.000 1.100 721 D HN -0.032 nan 8.370 nan 0.000 0.477 722 P HA -0.069 nan 4.420 nan 0.000 0.221 722 P C 1.026 177.982 177.300 -0.573 0.000 1.145 722 P CA 0.899 63.207 63.100 -1.321 0.000 0.795 722 P CB 0.304 31.579 31.700 -0.708 0.000 0.775 723 R N -0.946 119.373 120.500 -0.303 0.000 2.189 723 R HA 0.066 4.406 4.340 -0.001 0.000 0.218 723 R C 1.246 177.491 176.300 -0.092 0.000 1.074 723 R CA 0.292 56.303 56.100 -0.148 0.000 0.991 723 R CB -0.436 29.805 30.300 -0.098 0.000 0.883 723 R HN 0.129 nan 8.270 nan 0.000 0.457 724 S N 0.971 116.628 115.700 -0.072 0.000 2.564 724 S HA 0.098 4.568 4.470 -0.001 0.000 0.278 724 S C -1.712 172.868 174.600 -0.033 0.000 1.333 724 S CA -1.527 56.668 58.200 -0.008 0.000 1.048 724 S CB 0.975 64.226 63.200 0.085 0.000 0.900 724 S HN -0.079 nan 8.310 nan 0.000 0.505 725 P HA -0.026 nan 4.420 nan 0.000 0.228 725 P C -0.024 177.022 177.300 -0.422 0.000 1.151 725 P CA 1.048 63.948 63.100 -0.334 0.000 0.770 725 P CB -0.015 31.366 31.700 -0.532 0.000 0.786 726 H N -3.096 116.050 119.070 0.127 0.000 2.467 726 H HA 0.180 4.735 4.556 -0.001 0.000 0.275 726 H C 0.577 176.015 175.328 0.183 0.000 1.131 726 H CA -0.467 55.656 56.048 0.126 0.000 0.989 726 H CB -0.243 29.580 29.762 0.101 0.000 1.696 726 H HN 0.170 nan 8.280 nan 0.000 0.574 727 Y N 2.512 122.870 120.300 0.097 0.000 2.420 727 Y HA -0.033 4.516 4.550 -0.001 0.000 0.292 727 Y C 1.684 177.642 175.900 0.096 0.000 1.119 727 Y CA 0.999 59.154 58.100 0.092 0.000 1.229 727 Y CB 0.580 39.075 38.460 0.059 0.000 1.026 727 Y HN 0.174 nan 8.280 nan 0.000 0.554 728 R N -1.419 119.096 120.500 0.025 0.000 2.519 728 R HA 0.165 4.504 4.340 -0.001 0.000 0.375 728 R C 0.689 177.006 176.300 0.028 0.000 0.926 728 R CA 0.622 56.682 56.100 -0.065 0.000 1.166 728 R CB -0.579 29.657 30.300 -0.106 0.000 1.626 728 R HN 0.180 nan 8.270 nan 0.000 0.529 729 D N 1.877 122.323 120.400 0.076 0.000 2.097 729 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 729 D C 1.538 177.881 176.300 0.073 0.000 0.984 729 D CA 1.254 55.307 54.000 0.089 0.000 0.826 729 D CB -0.211 40.671 40.800 0.137 0.000 0.973 729 D HN 0.393 nan 8.370 nan 0.000 0.460 730 Q N -0.320 119.510 119.800 0.050 0.000 2.311 730 Q HA 0.021 4.360 4.340 -0.001 0.000 0.203 730 Q C 1.884 177.916 176.000 0.053 0.000 0.954 730 Q CA 1.155 56.974 55.803 0.027 0.000 0.885 730 Q CB -0.005 28.705 28.738 -0.046 0.000 0.963 730 Q HN 0.339 nan 8.270 nan 0.000 0.471 731 T N 1.222 115.799 114.554 0.038 0.000 2.821 731 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 731 T C 1.411 176.212 174.700 0.169 0.000 1.046 731 T CA 1.111 63.273 62.100 0.103 0.000 1.139 731 T CB -0.062 68.835 68.868 0.047 0.000 0.871 731 T HN 0.338 nan 8.240 nan 0.000 0.454 732 E N 0.999 121.265 120.200 0.110 0.000 2.085 732 E HA -0.066 4.283 4.350 -0.001 0.000 0.194 732 E C 2.160 178.829 176.600 0.116 0.000 0.994 732 E CA 0.895 57.356 56.400 0.102 0.000 0.801 732 E CB -0.336 29.409 29.700 0.074 0.000 0.743 732 E HN 0.417 nan 8.360 nan 0.000 0.453 733 L N -0.067 121.231 121.223 0.126 0.000 2.093 733 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 733 L C 2.405 179.393 176.870 0.197 0.000 1.085 733 L CA 0.761 55.685 54.840 0.139 0.000 0.755 733 L CB -0.351 41.785 42.059 0.129 0.000 0.904 733 L HN 0.132 nan 8.230 nan 0.000 0.435 734 F N 0.368 120.371 119.950 0.090 0.000 2.134 734 F HA -0.247 4.279 4.527 -0.001 0.000 0.299 734 F C 2.857 178.754 175.800 0.162 0.000 1.097 734 F CA 1.584 59.664 58.000 0.134 0.000 1.264 734 F CB -0.373 38.686 39.000 0.099 0.000 1.001 734 F HN -0.034 nan 8.300 nan 0.000 0.479 735 S N 0.289 116.067 115.700 0.131 0.000 2.374 735 S HA -0.235 4.234 4.470 -0.001 0.000 0.227 735 S C 2.100 176.682 174.600 -0.030 0.000 1.037 735 S CA 1.616 59.840 58.200 0.040 0.000 1.024 735 S CB -0.333 62.926 63.200 0.099 0.000 0.861 735 S HN 0.497 nan 8.310 nan 0.000 0.456 736 R N 0.249 120.752 120.500 0.005 0.000 2.310 736 R HA 0.196 4.536 4.340 -0.001 0.000 0.202 736 R C 0.081 176.365 176.300 -0.026 0.000 0.933 736 R CA 0.278 56.376 56.100 -0.003 0.000 1.054 736 R CB -0.054 30.260 30.300 0.023 0.000 0.985 736 R HN 0.531 nan 8.270 nan 0.000 0.489 737 Q N 0.703 120.476 119.800 -0.045 0.000 2.451 737 Q HA -0.222 4.117 4.340 -0.001 0.000 0.305 737 Q C -0.952 175.064 176.000 0.027 0.000 1.345 737 Q CA 0.712 56.502 55.803 -0.021 0.000 0.854 737 Q CB -1.495 27.172 28.738 -0.118 0.000 1.162 737 Q HN 0.493 nan 8.270 nan 0.000 0.440 738 Q N 0.295 120.184 119.800 0.149 0.000 2.560 738 Q HA 0.201 4.541 4.340 -0.001 0.000 0.238 738 Q C -0.503 175.673 176.000 0.293 0.000 1.079 738 Q CA -0.523 55.358 55.803 0.128 0.000 0.866 738 Q CB 0.610 29.394 28.738 0.077 0.000 1.153 738 Q HN 0.168 nan 8.270 nan 0.000 0.530 739 W N 1.542 122.837 121.300 -0.009 0.000 2.093 739 W HA 0.196 4.856 4.660 -0.001 0.000 0.352 739 W C 0.598 177.101 176.519 -0.027 0.000 1.294 739 W CA -0.326 57.009 57.345 -0.016 0.000 1.290 739 W CB 0.358 29.796 29.460 -0.037 0.000 1.149 739 W HN 0.371 nan 8.180 nan 0.000 0.606 740 Q N 0.050 119.961 119.800 0.185 0.000 2.484 740 Q HA 0.340 4.680 4.340 -0.001 0.000 0.285 740 Q C -0.540 175.487 176.000 0.044 0.000 1.097 740 Q CA -0.909 54.946 55.803 0.087 0.000 0.802 740 Q CB 1.352 30.123 28.738 0.054 0.000 1.444 740 Q HN 0.242 nan 8.270 nan 0.000 0.429 741 T N 1.598 116.168 114.554 0.027 0.000 2.928 741 T HA 0.217 4.566 4.350 -0.001 0.000 0.305 741 T C 0.289 174.997 174.700 0.012 0.000 1.035 741 T CA 0.074 62.179 62.100 0.007 0.000 1.145 741 T CB -0.008 68.868 68.868 0.013 0.000 0.963 741 T HN 0.201 nan 8.240 nan 0.000 0.545 742 L N 6.744 127.972 121.223 0.007 0.000 2.287 742 L HA 0.313 4.653 4.340 -0.001 0.000 0.280 742 L C -1.889 175.064 176.870 0.138 0.000 1.055 742 L CA -2.080 52.804 54.840 0.073 0.000 0.863 742 L CB 0.460 42.580 42.059 0.103 0.000 1.245 742 L HN 0.369 nan 8.230 nan 0.000 0.432 743 P HA 0.051 nan 4.420 nan 0.000 0.282 743 P C -0.273 177.126 177.300 0.164 0.000 1.262 743 P CA -0.041 63.133 63.100 0.124 0.000 0.773 743 P CB 1.426 33.172 31.700 0.077 0.000 0.879 744 F N 2.279 122.228 119.950 -0.002 0.000 2.581 744 F HA 0.106 4.633 4.527 -0.001 0.000 0.278 744 F C 0.896 176.672 175.800 -0.040 0.000 1.000 744 F CA 0.267 58.183 58.000 -0.141 0.000 1.230 744 F CB -0.010 39.005 39.000 0.026 0.000 1.008 744 F HN 0.259 nan 8.300 nan 0.000 0.695 745 S N 0.677 116.395 115.700 0.030 0.000 2.603 745 S HA 0.114 4.584 4.470 -0.001 0.000 0.268 745 S C 0.703 175.281 174.600 -0.036 0.000 1.317 745 S CA -0.243 57.927 58.200 -0.050 0.000 1.012 745 S CB 0.935 64.174 63.200 0.064 0.000 0.926 745 S HN 0.250 nan 8.310 nan 0.000 0.539 746 D N 1.859 122.234 120.400 -0.042 0.000 2.149 746 D HA -0.102 4.537 4.640 -0.001 0.000 0.198 746 D C 2.594 178.897 176.300 0.005 0.000 0.990 746 D CA 1.923 55.913 54.000 -0.016 0.000 0.839 746 D CB -0.610 40.178 40.800 -0.020 0.000 0.948 746 D HN 0.743 nan 8.370 nan 0.000 0.460 747 R N 1.008 121.516 120.500 0.014 0.000 2.081 747 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 747 R C 2.205 178.522 176.300 0.027 0.000 1.131 747 R CA 1.791 57.904 56.100 0.022 0.000 0.960 747 R CB -1.442 28.874 30.300 0.027 0.000 0.856 747 R HN 0.374 nan 8.270 nan 0.000 0.436 748 Q N -0.303 119.520 119.800 0.037 0.000 2.079 748 Q HA 0.019 4.358 4.340 -0.001 0.000 0.200 748 Q C 2.343 178.366 176.000 0.039 0.000 0.974 748 Q CA 1.615 57.444 55.803 0.044 0.000 0.840 748 Q CB -0.194 28.585 28.738 0.067 0.000 0.898 748 Q HN 0.645 nan 8.270 nan 0.000 0.430 749 I N 0.625 121.217 120.570 0.038 0.000 2.179 749 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 749 I C 1.865 177.997 176.117 0.026 0.000 1.088 749 I CA 1.285 62.606 61.300 0.037 0.000 1.357 749 I CB -0.179 37.845 38.000 0.040 0.000 1.051 749 I HN 0.163 nan 8.210 nan 0.000 0.409 750 D N 0.731 121.143 120.400 0.020 0.000 2.219 750 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 750 D C 2.039 178.350 176.300 0.018 0.000 0.970 750 D CA 1.054 55.063 54.000 0.016 0.000 0.851 750 D CB 0.104 40.911 40.800 0.012 0.000 0.943 750 D HN 0.314 nan 8.370 nan 0.000 0.488 751 A N -0.253 122.579 122.820 0.021 0.000 2.209 751 A HA -0.049 4.271 4.320 -0.001 0.000 0.212 751 A C 1.001 178.598 177.584 0.022 0.000 1.158 751 A CA 0.273 52.323 52.037 0.021 0.000 0.742 751 A CB -0.101 18.912 19.000 0.022 0.000 0.790 751 A HN 0.124 nan 8.150 nan 0.000 0.472 752 D N 0.481 120.895 120.400 0.024 0.000 2.339 752 D HA 0.163 4.803 4.640 -0.001 0.000 0.256 752 D C -1.484 174.831 176.300 0.025 0.000 1.214 752 D CA -1.780 52.235 54.000 0.025 0.000 0.877 752 D CB 1.270 42.086 40.800 0.027 0.000 1.111 752 D HN 0.117 nan 8.370 nan 0.000 0.478 753 P HA -0.086 nan 4.420 nan 0.000 0.230 753 P C 0.682 178.000 177.300 0.029 0.000 1.158 753 P CA 0.588 63.703 63.100 0.025 0.000 0.769 753 P CB 0.541 32.255 31.700 0.024 0.000 0.807 754 Q N -0.495 119.325 119.800 0.034 0.000 2.320 754 Q HA 0.117 4.457 4.340 -0.001 0.000 0.201 754 Q C 0.603 176.626 176.000 0.038 0.000 0.910 754 Q CA -0.485 55.343 55.803 0.042 0.000 0.946 754 Q CB -0.380 28.390 28.738 0.053 0.000 1.062 754 Q HN 0.260 nan 8.270 nan 0.000 0.503 755 L N 2.024 123.265 121.223 0.030 0.000 2.559 755 L HA -0.053 4.287 4.340 -0.001 0.000 0.274 755 L C -0.299 176.587 176.870 0.027 0.000 1.205 755 L CA 0.996 55.852 54.840 0.025 0.000 0.907 755 L CB 0.298 42.370 42.059 0.021 0.000 1.153 755 L HN 0.051 nan 8.230 nan 0.000 0.490 756 Q N 5.027 124.843 119.800 0.027 0.000 2.413 756 Q HA 0.633 4.973 4.340 -0.001 0.000 0.276 756 Q C -1.122 174.890 176.000 0.020 0.000 1.099 756 Q CA -0.977 54.842 55.803 0.027 0.000 0.814 756 Q CB 2.801 31.563 28.738 0.039 0.000 1.379 756 Q HN 0.630 nan 8.270 nan 0.000 0.436 757 R N 1.376 121.887 120.500 0.017 0.000 2.651 757 R HA 0.672 5.011 4.340 -0.001 0.000 0.278 757 R C -2.186 174.121 176.300 0.011 0.000 1.010 757 R CA -0.670 55.437 56.100 0.011 0.000 0.896 757 R CB 1.419 31.722 30.300 0.005 0.000 1.211 757 R HN 0.541 nan 8.270 nan 0.000 0.456 758 L N 1.860 123.088 121.223 0.009 0.000 2.464 758 L HA 0.540 4.880 4.340 -0.001 0.000 0.266 758 L C -1.606 175.266 176.870 0.003 0.000 0.965 758 L CA -0.024 54.821 54.840 0.009 0.000 0.833 758 L CB 2.669 44.736 42.059 0.014 0.000 1.296 758 L HN 0.607 nan 8.230 nan 0.000 0.405 759 S N 5.485 121.186 115.700 0.002 0.000 2.472 759 S HA 0.844 5.313 4.470 -0.001 0.000 0.303 759 S C -0.559 174.041 174.600 0.000 0.000 1.099 759 S CA -0.515 57.684 58.200 -0.001 0.000 1.077 759 S CB 1.134 64.332 63.200 -0.003 0.000 1.031 759 S HN 0.627 nan 8.310 nan 0.000 0.487 760 I N 0.516 121.085 120.570 -0.001 0.000 2.730 760 I HA 0.887 5.056 4.170 -0.001 0.000 0.298 760 I C -0.771 175.344 176.117 -0.003 0.000 1.089 760 I CA -1.275 60.025 61.300 -0.001 0.000 1.041 760 I CB 2.231 40.231 38.000 0.000 0.000 1.235 760 I HN 0.728 nan 8.210 nan 0.000 0.423 761 R N 2.943 123.442 120.500 -0.002 0.000 2.739 761 R HA 0.793 5.133 4.340 -0.001 0.000 0.271 761 R C -1.571 174.727 176.300 -0.003 0.000 1.010 761 R CA -0.776 55.322 56.100 -0.003 0.000 0.897 761 R CB 2.251 32.549 30.300 -0.003 0.000 1.236 761 R HN 0.892 nan 8.270 nan 0.000 0.466 762 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