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 3kic_1_C DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.533 125.374 122.820 0.035 0.000 2.446 218 A HA 0.825 5.144 4.320 -0.001 0.000 0.282 218 A C -0.996 176.608 177.584 0.032 0.000 1.102 218 A CA -0.575 51.485 52.037 0.040 0.000 0.737 218 A CB 1.689 20.710 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.604 121.027 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.701 177.020 176.300 0.031 0.000 1.151 219 D CA 0.220 54.238 54.000 0.031 0.000 1.089 219 D CB 1.414 42.233 40.800 0.032 0.000 1.295 219 D HN 0.669 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.883 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.550 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.527 178.629 176.094 0.014 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.650 31.178 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.750 109.557 108.800 0.011 0.000 3.474 222 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.339 222 G CA 0.021 45.127 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.017 118.695 118.700 0.021 0.000 2.500 223 N HA 0.267 5.006 4.740 -0.001 0.000 0.291 223 N C -0.058 175.475 175.510 0.038 0.000 1.092 223 N CA -0.524 52.541 53.050 0.025 0.000 0.890 223 N CB 1.406 39.907 38.487 0.022 0.000 1.466 223 N HN 0.035 nan 8.380 nan 0.000 0.507 224 S N 1.541 117.266 115.700 0.043 0.000 2.549 224 S HA 0.086 4.556 4.470 -0.001 0.000 0.286 224 S C 0.833 175.478 174.600 0.076 0.000 1.314 224 S CA -0.227 58.015 58.200 0.070 0.000 1.062 224 S CB 0.668 63.913 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.106 116.878 115.700 0.121 0.000 2.618 225 S HA 0.581 5.051 4.470 -0.001 0.000 0.242 225 S C 0.654 175.299 174.600 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.696 62.597 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.170 108.800 0.015 0.000 2.328 226 G HA2 0.324 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.284 3.960 -0.001 0.000 0.299 226 G C -1.900 172.901 174.900 -0.165 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.030 117.483 118.700 -0.312 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.010 174.406 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.178 0.000 0.824 227 N CB 2.208 40.518 38.487 -0.295 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.576 123.724 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.294 176.519 -0.284 0.000 1.066 228 W CA 0.026 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.088 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.317 124.292 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.996 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.969 30.656 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.106 123.407 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.542 174.501 174.990 0.090 0.000 1.093 230 C CA -0.277 58.746 59.018 0.009 0.000 1.463 230 C CB -0.710 27.091 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.919 122.346 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.288 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.296 43.136 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.505 116.208 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.723 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.562 64.693 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.421 121.161 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.085 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.486 29.268 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.419 122.738 121.300 0.031 0.000 2.512 234 W HA 0.577 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.777 56.590 57.345 0.035 0.000 1.236 234 W CB 1.012 30.487 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.299 124.663 121.223 0.235 0.000 3.014 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 235 L C 1.625 178.578 176.870 0.139 0.000 1.207 235 L CA 0.719 55.646 54.840 0.145 0.000 1.017 235 L CB -0.674 41.437 42.059 0.086 0.000 1.360 235 L HN 0.999 nan 8.230 nan 0.000 0.560 236 G N 1.049 109.964 108.800 0.191 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.939 175.909 174.900 0.116 0.000 1.033 236 G CA 1.109 46.286 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.020 120.491 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.099 177.489 176.300 0.150 0.000 1.094 237 D CA 0.937 55.003 54.000 0.110 0.000 0.846 237 D CB 0.249 41.095 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.606 118.989 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.043 31.409 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.662 121.598 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.602 174.442 176.094 -0.085 0.000 1.077 239 V CA -0.867 61.301 62.300 -0.219 0.000 0.910 239 V CB 1.939 33.318 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.715 126.187 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.709 4.170 -0.001 0.000 0.289 240 I C 0.405 176.440 176.117 -0.137 0.000 0.994 240 I CA 0.017 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.057 40.008 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.445 115.957 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.126 174.552 174.700 -0.037 0.000 0.982 241 T CA -0.634 61.397 62.100 -0.115 0.000 0.978 241 T CB 1.023 69.761 68.868 -0.217 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.440 116.967 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.534 174.139 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.607 117.264 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.903 173.565 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.973 64.121 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.432 119.737 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.057 4.350 -0.001 0.000 0.285 244 T C -0.803 173.535 174.700 -0.603 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.682 0.000 0.989 244 T CB 1.138 69.182 68.868 -1.374 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.015 121.373 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.920 175.567 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.651 32.147 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.710 117.494 114.554 0.382 0.000 2.837 246 T HA 0.544 4.893 4.350 -0.001 0.000 0.285 246 T C -0.296 174.473 174.700 0.114 0.000 0.984 246 T CA -0.561 61.635 62.100 0.160 0.000 1.049 246 T CB 0.640 69.564 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.572 121.800 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.901 176.519 -0.294 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.509 0.000 1.192 247 W CB 1.352 30.499 29.460 -0.521 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.948 125.766 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.108 4.320 -0.001 0.000 0.311 248 A C -2.155 175.549 177.584 0.199 0.000 1.068 248 A CA -0.789 51.304 52.037 0.093 0.000 0.743 248 A CB 2.001 21.008 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.684 125.076 121.223 0.282 0.000 2.404 249 L HA 0.673 5.012 4.340 -0.001 0.000 0.272 249 L C -2.646 174.277 176.870 0.088 0.000 0.980 249 L CA -1.557 53.385 54.840 0.169 0.000 0.836 249 L CB 2.128 44.314 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.035 176.103 177.300 -0.271 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.971 31.700 -0.508 0.000 1.364 251 T N 0.130 114.493 114.554 -0.317 0.000 2.929 251 T HA 0.356 4.706 4.350 -0.001 0.000 0.331 251 T C -0.492 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.042 61.863 62.100 -0.326 0.000 0.973 251 T CB -0.987 67.646 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.145 122.345 120.300 -0.166 0.000 2.397 252 Y HA 0.125 4.674 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.038 58.065 58.100 -0.120 0.000 1.391 252 Y CB 0.306 38.725 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.729 120.486 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.308 175.510 -0.015 0.000 1.125 253 N CA 0.807 53.880 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.063 118.567 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.848 175.510 -0.146 0.000 1.083 254 N CA 2.028 54.974 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.874 116.149 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.180 175.148 175.328 0.001 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.340 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.401 121.694 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.156 176.808 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.193 0.000 0.818 256 L CB 1.217 43.384 42.059 0.180 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.240 122.684 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.838 39.535 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.001 123.581 120.400 0.300 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.686 176.000 176.600 0.142 0.000 0.940 258 K CA -1.025 55.372 56.287 0.184 0.000 0.811 258 K CB 1.875 34.428 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.764 124.588 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.647 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.307 55.291 55.803 -0.341 0.000 0.905 259 Q CB 0.419 28.980 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.725 120.926 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.060 176.117 -0.669 0.000 1.044 260 I CA -0.713 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.332 40.176 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.158 117.531 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.998 4.470 -0.001 0.000 0.278 261 S C -0.568 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.334 57.438 58.200 -0.714 0.000 0.860 261 S CB 0.803 63.890 63.200 -0.189 0.000 1.206 261 S HN 1.052 nan 8.310 nan 0.000 0.507 262 S N 0.962 116.408 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 262 S C -0.083 174.552 174.600 0.059 0.000 1.305 262 S CA -0.579 57.624 58.200 0.005 0.000 1.022 262 S CB 0.552 63.902 63.200 0.250 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.585 121.432 119.800 0.078 0.000 2.286 263 Q HA 0.068 4.408 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.724 176.000 0.063 0.000 1.049 263 Q CA 0.422 56.253 55.803 0.047 0.000 0.923 263 Q CB 0.450 29.205 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.096 118.826 115.700 0.049 0.000 2.945 264 S HA 0.129 4.599 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.056 0.000 1.721 264 S CB -0.931 62.287 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.850 110.713 108.800 0.105 0.000 2.248 265 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.263 265 G C 0.588 175.498 174.900 0.017 0.000 1.082 265 G CA 0.085 45.232 45.100 0.079 0.000 0.863 265 G HN 0.896 nan 8.290 nan 0.000 0.495 266 A N -1.197 121.611 122.820 -0.019 0.000 1.924 266 A HA 0.765 5.085 4.320 -0.001 0.000 0.211 266 A C 1.314 178.831 177.584 -0.112 0.000 1.198 266 A CA 1.876 53.880 52.037 -0.055 0.000 0.657 266 A CB 0.491 19.465 19.000 -0.042 0.000 0.852 266 A HN 1.488 nan 8.150 nan 0.000 0.454 267 S N -2.454 113.117 115.700 -0.214 0.000 2.547 267 S HA 0.352 4.821 4.470 -0.001 0.000 0.270 267 S C 0.210 174.522 174.600 -0.480 0.000 1.150 267 S CA -0.340 57.701 58.200 -0.264 0.000 0.850 267 S CB 1.334 64.397 63.200 -0.228 0.000 1.118 267 S HN 0.466 nan 8.310 nan 0.000 0.461 268 N N 0.875 119.428 118.700 -0.244 0.000 2.508 268 N HA 0.007 4.746 4.740 -0.001 0.000 0.186 268 N C -0.017 175.518 175.510 0.041 0.000 1.034 268 N CA 0.303 53.323 53.050 -0.049 0.000 0.885 268 N CB 0.061 38.603 38.487 0.092 0.000 1.135 268 N HN 0.526 nan 8.380 nan 0.000 0.435 269 D N 0.637 121.033 120.400 -0.007 0.000 2.363 269 D HA 0.011 4.651 4.640 -0.001 0.000 0.226 269 D C 0.006 176.308 176.300 0.003 0.000 1.020 269 D CA 0.624 54.651 54.000 0.045 0.000 0.892 269 D CB -0.255 40.588 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.603 118.058 118.700 -0.065 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.525 175.510 0.060 0.000 1.179 270 N CA -0.375 52.640 53.050 -0.059 0.000 0.877 270 N CB 0.713 39.113 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.467 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.471 175.040 175.328 0.306 0.000 1.047 271 H CA 0.653 56.821 56.048 0.201 0.000 1.435 271 H CB 0.174 30.000 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.389 121.813 120.300 0.206 0.000 2.656 272 Y HA 0.513 5.063 4.550 -0.001 0.000 0.334 272 Y C -2.158 173.861 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.025 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.143 121.023 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.368 4.527 -0.001 0.000 0.311 273 F C -0.353 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.002 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.085 40.982 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.810 111.043 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.438 171.803 174.900 -1.099 0.000 1.242 274 G CA -0.598 44.083 45.100 -0.697 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.893 119.019 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.143 175.831 175.900 -0.353 0.000 1.036 275 Y CA -0.767 57.074 58.100 -0.431 0.000 1.042 275 Y CB 2.656 41.008 38.460 -0.180 0.000 1.289 275 Y HN 0.558 nan 8.280 nan 0.000 0.471 276 S N 1.093 116.825 115.700 0.053 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.715 173.931 174.600 0.077 0.000 1.099 276 S CA -0.571 57.638 58.200 0.015 0.000 1.070 276 S CB 0.325 63.519 63.200 -0.010 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.337 116.925 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.535 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.421 68.868 0.253 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.861 176.431 177.300 -0.013 0.000 1.241 278 P CA -0.118 62.952 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.126 0.000 1.088 279 W N 0.423 121.731 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.580 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.983 30.466 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.124 110.053 108.800 0.215 0.000 2.557 280 G HA2 0.697 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.697 4.656 3.960 -0.001 0.000 0.302 280 G C -1.868 173.080 174.900 0.081 0.000 1.311 280 G CA -0.622 44.507 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.087 117.079 120.300 -0.224 0.000 2.641 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.831 173.891 175.900 -0.298 0.000 1.174 281 Y CA -2.086 55.866 58.100 -0.247 0.000 1.057 281 Y CB 0.951 39.282 38.460 -0.214 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.956 121.898 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.168 175.673 175.800 0.068 0.000 1.105 282 F CA 0.001 58.029 58.000 0.047 0.000 1.087 282 F CB 1.440 40.539 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.683 123.212 120.400 0.216 0.000 2.780 283 D HA 0.429 5.068 4.640 -0.001 0.000 0.242 283 D C -0.872 175.495 176.300 0.111 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.978 40.800 0.039 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.058 121.103 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.249 176.128 175.800 0.131 0.000 1.371 284 F CA -0.825 57.254 58.000 0.131 0.000 1.123 284 F CB -0.919 38.236 39.000 0.257 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.314 119.855 118.700 -0.264 0.000 2.375 285 N HA 0.180 4.920 4.740 -0.001 0.000 0.220 285 N C -0.196 175.107 175.510 -0.345 0.000 1.170 285 N CA -0.095 52.563 53.050 -0.653 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.976 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.541 119.857 120.500 -0.170 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.075 176.304 176.300 -0.118 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.907 120.873 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.254 178.155 175.800 0.169 0.000 1.090 287 F CA 1.622 59.752 58.000 0.218 0.000 1.293 287 F CB -0.065 38.913 39.000 -0.036 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.939 116.252 119.070 0.201 0.000 2.563 288 H HA -0.011 4.544 4.556 -0.001 0.000 0.272 288 H C 1.679 177.049 175.328 0.071 0.000 1.005 288 H CA 0.404 56.516 56.048 0.107 0.000 1.171 288 H CB -1.452 28.335 29.762 0.043 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.538 119.788 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.733 176.481 174.990 -0.404 0.000 1.398 289 C CA 0.850 59.704 59.018 -0.273 0.000 1.774 289 C CB -0.633 26.804 27.740 -0.506 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.924 116.245 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.212 175.328 -0.125 0.000 0.934 290 H CA 0.152 56.210 56.048 0.016 0.000 1.116 290 H CB -0.112 29.680 29.762 0.050 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.497 123.601 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.993 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.189 0.000 1.139 291 F CB 1.081 40.261 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.940 119.794 115.700 0.258 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.013 57.298 58.200 0.184 0.000 1.018 292 S CB 1.216 64.504 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.142 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.214 64.215 63.100 -0.165 0.000 0.874 293 P CB -0.057 31.405 31.700 -0.396 0.000 0.790 294 R N 0.400 120.931 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.151 176.300 0.127 0.000 1.142 294 R CA 2.000 58.147 56.100 0.080 0.000 0.960 294 R CB -1.657 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.611 119.938 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.207 55.475 54.000 0.447 0.000 0.827 295 D CB -0.615 40.514 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.041 123.372 121.300 0.051 0.000 2.325 296 W HA -0.241 4.418 4.660 -0.001 0.000 0.299 296 W C 2.155 178.522 176.519 -0.254 0.000 1.215 296 W CA 1.451 58.666 57.345 -0.217 0.000 1.244 296 W CB -0.096 29.192 29.460 -0.286 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.320 120.070 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.221 0.000 0.978 297 Q CA 1.825 57.515 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.267 nan 8.270 nan 0.000 0.426 298 R N 0.159 120.542 120.500 -0.194 0.000 2.081 298 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.340 57.220 56.100 -0.366 0.000 0.960 298 R CB -0.479 29.416 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.788 121.886 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.146 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.279 55.987 54.840 -0.220 0.000 0.746 299 L CB -0.197 41.562 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.627 120.864 120.570 -0.555 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.796 177.781 176.117 -0.220 0.000 1.097 300 I CA 1.463 62.482 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.057 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.933 119.504 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.871 176.347 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.025 38.393 38.487 -0.115 0.000 0.970 301 N HN 0.451 nan 8.380 nan 0.000 0.462 302 N N -0.232 118.423 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.798 174.684 175.510 -0.045 0.000 1.310 302 N CA -0.052 52.949 53.050 -0.083 0.000 0.896 302 N CB 0.917 39.312 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.220 118.512 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.279 176.000 175.510 0.352 0.000 1.027 303 N CA -0.434 52.693 53.050 0.128 0.000 0.864 303 N CB 1.680 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.998 123.286 121.300 -0.020 0.000 2.341 304 W HA -0.131 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.056 0.000 1.215 304 W CA 0.232 57.551 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.614 107.377 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.393 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.393 3.960 -0.001 0.000 0.300 305 G C -1.781 173.473 174.900 0.590 0.000 1.330 305 G CA -0.573 44.743 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.406 118.965 119.950 0.701 0.000 2.807 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.316 306 F C -0.886 175.313 175.800 0.666 0.000 1.162 306 F CA -1.137 57.311 58.000 0.746 0.000 0.910 306 F CB 1.438 40.680 39.000 0.403 0.000 1.314 306 F HN 0.996 nan 8.300 nan 0.000 0.454 307 R N -0.037 120.787 120.500 0.539 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.641 172.627 176.300 -0.053 0.000 1.032 307 R CA -1.855 54.205 56.100 -0.067 0.000 0.866 307 R CB 1.742 31.719 30.300 -0.539 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.767 176.025 177.300 -0.847 0.000 1.252 308 P CA -0.596 61.768 63.100 -1.226 0.000 0.811 308 P CB 1.221 31.592 31.700 -2.215 0.000 1.035 309 K N 0.531 120.531 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.379 176.967 176.600 -0.021 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.257 0.000 0.880 309 K CB 0.288 32.671 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.220 120.579 120.400 -0.067 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.016 0.000 0.863 310 K CB 1.984 34.418 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.289 120.937 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.852 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.422 44.564 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.500 120.176 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.123 4.470 -0.001 0.000 0.308 312 S C -1.245 173.393 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.010 64.152 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.412 123.370 119.950 0.014 0.000 2.469 313 F HA 0.687 5.214 4.527 -0.001 0.000 0.332 313 F C -0.280 175.590 175.800 0.117 0.000 1.103 313 F CA -0.488 57.570 58.000 0.098 0.000 0.979 313 F CB 0.986 40.174 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.285 127.312 120.400 -0.622 0.000 2.535 314 K HA 0.533 4.852 4.320 -0.001 0.000 0.251 314 K C -2.180 174.302 176.600 -0.197 0.000 0.942 314 K CA -0.607 55.547 56.287 -0.223 0.000 0.798 314 K CB 1.577 34.042 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.874 127.165 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.384 176.870 0.426 0.000 1.006 315 L CA -0.874 54.054 54.840 0.146 0.000 0.817 315 L CB 0.987 43.119 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.636 119.418 119.950 0.173 0.000 2.877 316 F HA 0.366 4.893 4.527 -0.001 0.000 0.319 316 F C -0.165 175.705 175.800 0.116 0.000 1.174 316 F CA -1.469 56.608 58.000 0.129 0.000 0.903 316 F CB 1.076 40.118 39.000 0.070 0.000 1.357 316 F HN 0.483 nan 8.300 nan 0.000 0.472 317 N N 0.581 119.436 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.106 174.388 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.104 0.000 0.742 317 N CB -1.067 37.486 38.487 0.109 0.000 0.906 317 N HN 0.487 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.490 120.570 0.029 0.000 2.474 318 I HA 0.095 4.265 4.170 -0.001 0.000 0.287 318 I C 0.490 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.113 61.411 61.300 -0.005 0.000 1.383 318 I CB 0.899 38.975 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.428 125.145 119.800 -0.140 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.401 174.484 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.139 31.771 28.738 -0.177 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.333 123.154 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.325 175.622 176.094 -0.246 0.000 1.021 320 V CA -0.634 61.551 62.300 -0.191 0.000 0.847 320 V CB 1.164 32.930 31.823 -0.095 0.000 0.990 320 V HN 0.546 nan 8.190 nan 0.000 0.444 321 K N 4.199 124.333 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.350 176.115 176.600 -0.224 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.525 34.641 32.500 -0.639 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.283 120.450 120.200 -0.055 0.000 2.183 322 E HA 0.496 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.698 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.324 122.305 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.042 175.088 176.094 0.060 0.000 1.064 323 V CA 0.003 62.358 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.388 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 70.459 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.954 122.765 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.483 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.535 29.276 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.139 119.844 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.610 175.510 0.005 0.000 1.038 326 N CA 1.244 54.299 53.050 0.009 0.000 0.846 326 N CB 0.416 38.909 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.628 118.774 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.039 177.339 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.191 108.608 108.800 -0.001 0.000 3.839 328 G HA2 0.263 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.263 4.222 3.960 -0.001 0.000 0.286 328 G C -0.217 174.681 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.240 nan 8.290 nan 0.000 0.489 329 T N 0.689 115.242 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.361 70.228 68.868 -0.001 0.000 0.997 329 T HN 0.112 nan 8.240 nan 0.000 0.443 330 T N 2.219 116.772 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.413 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.266 69.129 68.868 -0.008 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.001 116.564 114.554 0.015 0.000 2.837 331 T HA 0.663 5.012 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.940 61.171 62.100 0.020 0.000 1.049 331 T CB 0.499 69.377 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.172 122.767 120.570 0.041 0.000 2.406 332 I HA 0.669 4.839 4.170 -0.001 0.000 0.290 332 I C 0.162 176.302 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.552 39.617 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.329 128.165 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.891 176.680 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.342 20.346 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.981 120.664 118.700 -0.028 0.000 2.470 334 N HA 0.126 4.866 4.740 -0.001 0.000 0.268 334 N C -0.980 174.509 175.510 -0.034 0.000 1.136 334 N CA 0.173 53.197 53.050 -0.044 0.000 0.961 334 N CB 0.759 39.224 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.420 122.092 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.898 176.391 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.331 38.803 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.988 122.201 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 336 L C 1.986 178.854 176.870 -0.004 0.000 1.095 336 L CA 1.280 56.113 54.840 -0.012 0.000 0.770 336 L CB -0.453 41.602 42.059 -0.007 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.375 110.178 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.966 175.668 174.700 0.003 0.000 1.134 337 T CA -0.059 62.044 62.100 0.004 0.000 1.051 337 T CB 0.038 68.909 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.947 117.645 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.992 4.470 -0.001 0.000 0.271 338 S C 0.416 175.016 174.600 0.001 0.000 1.305 338 S CA -0.422 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.706 63.897 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.225 114.779 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.569 174.138 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.326 70.206 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.150 120.084 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.791 174.326 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.272 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.487 123.290 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.103 4.340 -0.001 0.000 0.267 341 Q C -1.452 174.670 176.000 0.203 0.000 1.006 341 Q CA -0.635 55.235 55.803 0.112 0.000 0.818 341 Q CB 2.558 31.380 28.738 0.140 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.369 123.381 119.914 0.162 0.000 2.823 342 V HA 0.744 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.830 61.449 62.300 -0.035 0.000 0.937 342 V CB 1.325 32.816 31.823 -0.554 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.324 120.124 119.950 -0.250 0.000 2.817 343 F HA 0.806 5.332 4.527 -0.001 0.000 0.317 343 F C -0.900 174.705 175.800 -0.324 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.208 0.000 0.911 343 F CB 1.981 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.678 115.090 114.554 -0.237 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.533 172.993 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.910 69.373 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.377 123.517 120.400 -0.433 0.000 2.498 345 D HA 0.250 4.890 4.640 -0.001 0.000 0.229 345 D C 0.856 176.913 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.924 54.000 -0.309 0.000 1.028 345 D CB 0.063 40.647 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.017 117.535 115.700 -0.303 0.000 2.501 346 S HA 0.008 4.477 4.470 -0.001 0.000 0.220 346 S C 1.249 175.562 174.600 -0.477 0.000 0.997 346 S CA 0.065 58.036 58.200 -0.382 0.000 0.919 346 S CB 0.231 63.375 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.296 120.332 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.319 56.034 56.400 -0.078 0.000 0.881 347 E CB 0.055 29.762 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.511 120.828 120.300 0.027 0.000 3.078 348 Y HA -0.297 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.051 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.421 36.026 38.460 -0.022 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.110 119.734 119.800 0.073 0.000 2.396 349 Q HA 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.375 176.294 176.000 -0.136 0.000 0.906 349 Q CA 0.184 56.017 55.803 0.051 0.000 0.927 349 Q CB 0.591 29.431 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.867 122.974 121.223 -0.194 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.262 0.000 1.054 350 L CA -2.422 52.167 54.840 -0.419 0.000 0.804 350 L CB 0.964 42.752 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.120 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.262 177.300 0.067 0.000 1.185 351 P CA 0.165 63.217 63.100 -0.080 0.000 0.763 351 P CB -0.017 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.149 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.119 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.119 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.365 38.850 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.063 126.806 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.309 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.249 0.000 1.125 353 V CB -0.611 31.017 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.247 120.624 121.223 -0.587 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.345 176.870 -0.157 0.000 1.151 354 L CA 0.297 54.887 54.840 -0.417 0.000 0.806 354 L CB -0.076 41.614 42.059 -0.616 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.157 108.876 108.800 -0.134 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.582 45.100 -0.070 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.199 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.983 59.134 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.828 63.200 -0.031 0.000 0.918 356 S HN 2.146 nan 8.310 nan 0.000 0.519 357 A N 1.597 124.349 122.820 -0.114 0.000 2.847 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.263 357 A C 0.420 177.949 177.584 -0.092 0.000 1.391 357 A CA 0.897 52.887 52.037 -0.079 0.000 0.866 357 A CB -2.278 16.684 19.000 -0.064 0.000 1.057 357 A HN 0.667 nan 8.150 nan 0.000 0.673 358 H N -0.117 118.955 119.070 0.004 0.000 2.767 358 H HA 0.253 4.808 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.928 56.990 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.192 118.725 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.540 176.597 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.629 30.430 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.420 108.427 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.003 0.000 0.998 360 G CA -0.347 44.787 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.246 119.535 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.299 0.000 1.490 361 C CA -0.649 58.314 59.018 -0.091 0.000 2.260 361 C CB -0.019 27.703 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.381 123.422 121.223 -0.303 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.724 176.870 -0.114 0.000 1.152 362 L CA -1.109 53.470 54.840 -0.436 0.000 0.855 362 L CB -0.094 41.825 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.024 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.856 62.307 63.100 0.106 0.000 0.761 363 P CB 0.183 31.981 31.700 0.163 0.000 0.795 364 P HA -0.152 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.515 177.300 0.004 0.000 1.150 364 P CA 1.249 64.411 63.100 0.104 0.000 0.843 364 P CB -0.022 31.621 31.700 -0.095 0.000 0.787 365 F N -0.204 119.587 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.000 54.775 58.000 -0.376 0.000 1.135 365 F CB 1.051 39.744 39.000 -0.513 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.273 177.300 -0.044 0.000 1.148 366 P CA 1.749 64.759 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.034 121.614 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.658 178.351 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.003 0.000 0.692 367 A CB -0.938 18.118 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.159 120.713 120.400 0.255 0.000 2.348 368 D HA 0.379 5.018 4.640 -0.001 0.000 0.253 368 D C -0.191 176.272 176.300 0.272 0.000 1.161 368 D CA 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.386 42.354 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.270 123.325 119.914 0.235 0.000 2.686 369 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 369 V C 0.091 176.370 176.094 0.309 0.000 1.057 369 V CA -0.484 61.963 62.300 0.246 0.000 1.012 369 V CB 0.505 32.399 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.527 122.567 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.423 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.941 41.027 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.279 122.918 119.600 0.065 0.000 2.264 371 M HA 0.526 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.538 34.164 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.363 127.201 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.268 60.924 62.300 -0.181 0.000 1.016 372 V CB 0.454 32.030 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.143 62.708 63.100 -0.415 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.279 120.760 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.020 0.000 0.915 374 Q CA -0.704 54.708 55.803 -0.650 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.250 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.474 121.774 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.139 58.257 58.100 0.031 0.000 1.165 375 Y CB 1.221 39.707 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.069 113.505 108.800 -0.607 0.000 2.696 376 G HA2 0.528 4.488 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.488 3.960 -0.001 0.000 0.295 376 G C -2.294 172.300 174.900 -0.510 0.000 1.398 376 G CA -0.824 43.992 45.100 -0.474 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.067 119.031 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.177 174.735 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.536 39.916 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.009 123.366 121.223 0.224 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.220 176.860 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.407 44.587 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.344 115.102 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.681 61.649 62.100 0.383 0.000 1.058 379 T CB 0.883 70.033 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.974 124.356 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.578 176.382 176.870 0.149 0.000 1.099 380 L CA -0.366 54.585 54.840 0.185 0.000 0.808 380 L CB 0.130 42.275 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.282 120.048 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.378 174.137 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.943 39.503 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.102 119.763 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.637 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.995 53.050 -0.068 0.000 0.902 382 N CB 0.045 38.487 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.335 111.050 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.347 0.000 1.146 383 G CA 0.521 45.367 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.260 115.715 115.700 -0.409 0.000 2.528 384 S HA 0.301 4.771 4.470 -0.001 0.000 0.219 384 S C 1.075 175.604 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.442 58.200 -0.099 0.000 0.914 384 S CB 0.233 63.427 63.200 -0.011 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.586 120.259 119.800 -0.212 0.000 2.316 385 Q HA 0.717 5.057 4.340 -0.001 0.000 0.215 385 Q C -0.317 175.393 176.000 -0.483 0.000 1.020 385 Q CA -0.410 55.205 55.803 -0.313 0.000 0.970 385 Q CB 1.166 29.767 28.738 -0.228 0.000 1.187 385 Q HN 0.490 nan 8.270 nan 0.000 0.546 386 A N 0.365 122.777 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.689 176.707 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.251 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.470 119.340 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.651 4.120 -0.001 0.000 0.305 387 V C 1.769 177.832 176.094 -0.052 0.000 1.136 387 V CA 0.313 62.563 62.300 -0.083 0.000 1.011 387 V CB 1.253 33.060 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.430 108.356 108.800 -0.024 0.000 2.464 388 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.067 174.900 0.019 0.000 1.138 388 G CA -0.018 45.078 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.901 121.419 120.500 0.031 0.000 2.363 389 R HA 0.215 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.197 30.529 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.363 116.120 115.700 0.095 0.000 2.584 390 S HA 0.218 4.688 4.470 -0.001 0.000 0.273 390 S C 0.071 174.767 174.600 0.160 0.000 1.311 390 S CA -0.280 58.021 58.200 0.168 0.000 1.034 390 S CB 1.709 65.037 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.319 118.123 115.700 0.174 0.000 2.437 391 S HA 0.517 4.986 4.470 -0.001 0.000 0.305 391 S C -0.919 173.626 174.600 -0.092 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.476 63.564 63.200 -0.187 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.044 123.748 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.483 174.001 175.800 -0.527 0.000 1.120 392 F CA -1.462 56.291 58.000 -0.410 0.000 1.033 392 F CB 0.444 39.200 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.531 125.536 120.300 -0.491 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.070 175.456 175.900 -0.624 0.000 0.958 393 Y CA -0.858 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.406 39.674 38.460 -0.320 0.000 1.151 393 Y HN 0.714 nan 8.280 nan 0.000 0.470 394 C N 5.781 124.811 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.112 0.000 1.275 394 C CA -0.576 58.223 59.018 -0.366 0.000 1.811 394 C CB -0.802 26.668 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.410 125.758 121.223 0.209 0.000 2.554 395 L HA 0.150 4.490 4.340 -0.001 0.000 0.226 395 L C 2.259 179.185 176.870 0.092 0.000 1.137 395 L CA 1.255 56.081 54.840 -0.022 0.000 0.863 395 L CB -0.438 41.165 42.059 -0.761 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.550 118.851 120.200 0.335 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.155 177.869 176.600 0.189 0.000 1.029 396 E CA 0.499 57.095 56.400 0.328 0.000 0.865 396 E CB -0.093 29.812 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.135 120.158 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.395 175.274 175.900 -0.386 0.000 1.186 397 Y CA -0.319 57.677 58.100 -0.172 0.000 1.266 397 Y CB -0.005 38.319 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.997 120.698 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.172 173.285 175.800 -0.572 0.000 1.103 398 F CA -3.137 54.472 58.000 -0.651 0.000 0.949 398 F CB 0.904 39.170 39.000 -1.222 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.162 nan 4.420 nan 0.000 0.266 399 P C -1.053 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.052 62.954 63.100 -0.156 0.000 0.763 399 P CB 0.570 32.201 31.700 -0.113 0.000 0.806 400 S N 1.696 117.392 115.700 -0.007 0.000 2.548 400 S HA 0.397 4.866 4.470 -0.001 0.000 0.286 400 S C -0.829 173.874 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.874 121.808 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.956 175.151 176.000 0.178 0.000 0.957 401 Q CA -0.171 55.759 55.803 0.211 0.000 0.919 401 Q CB 0.507 29.434 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.484 124.167 119.600 0.139 0.000 2.209 402 M HA 0.330 4.809 4.480 -0.001 0.000 0.355 402 M C -1.219 175.148 176.300 0.111 0.000 1.171 402 M CA -0.714 54.652 55.300 0.111 0.000 1.069 402 M CB 0.947 33.596 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.849 124.136 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.136 176.786 176.870 0.088 0.000 0.998 403 L CA -0.335 54.575 54.840 0.116 0.000 0.820 403 L CB 1.702 43.854 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.031 120.515 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.469 175.868 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.956 31.282 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.626 115.204 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 0.048 0.000 0.958 405 T CA 0.983 63.106 62.100 0.038 0.000 1.157 405 T CB 0.634 69.509 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.714 112.554 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.725 120.484 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.108 175.715 175.510 0.162 0.000 1.227 407 N CA 0.388 53.509 53.050 0.117 0.000 0.963 407 N CB 0.890 39.447 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.674 118.135 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.294 39.909 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.122 120.160 119.950 0.146 0.000 2.529 409 F HA 0.522 5.048 4.527 -0.001 0.000 0.320 409 F C -0.743 175.146 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.041 41.139 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.090 124.530 119.800 -0.601 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.642 54.953 55.803 -0.345 0.000 0.820 410 Q CB 2.130 30.749 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.660 120.473 119.950 -0.229 0.000 2.669 411 F HA 0.582 5.108 4.527 -0.001 0.000 0.315 411 F C -1.595 174.204 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.494 40.535 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.597 119.805 115.700 -0.821 0.000 2.536 412 S HA 0.609 5.078 4.470 -0.001 0.000 0.287 412 S C -2.043 172.082 174.600 -0.792 0.000 1.101 412 S CA -0.625 57.198 58.200 -0.629 0.000 0.950 412 S CB 1.993 64.989 63.200 -0.340 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.984 120.894 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.162 4.550 -0.001 0.000 0.347 413 Y C -1.108 174.551 175.900 -0.403 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.784 39.919 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.533 120.372 114.554 -1.193 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.203 174.700 -1.130 0.000 1.000 414 T CA -0.403 61.190 62.100 -0.845 0.000 0.958 414 T CB 0.095 68.675 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.146 119.950 -0.660 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.307 0.000 1.178 415 F CA -0.457 57.316 58.000 -0.379 0.000 1.301 415 F CB 0.573 39.425 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.156 120.043 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.316 175.261 176.600 -0.039 0.000 1.191 416 E CA -0.965 55.413 56.400 -0.037 0.000 0.952 416 E CB 0.380 30.081 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.636 121.007 120.400 -0.049 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.135 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.985 41.757 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.424 124.295 119.914 -0.072 0.000 2.577 418 V HA 0.444 4.564 4.120 -0.001 0.000 0.303 418 V C -2.455 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.052 33.925 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.154 0.000 1.186 419 P CA 0.333 63.481 63.100 0.080 0.000 0.767 419 P CB 0.101 31.854 31.700 0.090 0.000 0.820 420 F N 0.830 120.878 119.950 0.164 0.000 2.595 420 F HA 0.017 4.544 4.527 -0.001 0.000 0.359 420 F C 1.786 177.668 175.800 0.136 0.000 1.147 420 F CA 0.482 58.593 58.000 0.186 0.000 1.341 420 F CB -0.056 39.029 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.892 120.034 119.070 0.119 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.367 174.965 175.328 0.006 0.000 1.178 421 H CA -0.434 55.527 56.048 -0.145 0.000 1.419 421 H CB 0.688 30.131 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.421 117.553 115.700 -0.946 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.124 174.418 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.303 62.965 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.957 118.669 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.182 174.497 174.600 0.132 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.510 62.861 63.200 0.286 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.713 118.465 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.816 174.877 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.021 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.800 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.087 123.753 122.820 -0.256 0.000 2.414 425 A HA 0.539 4.859 4.320 -0.001 0.000 0.306 425 A C -1.503 175.961 177.584 -0.199 0.000 1.054 425 A CA -0.890 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.682 19.589 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.803 120.850 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.678 4.556 -0.001 0.000 0.341 426 H C 1.362 176.685 175.328 -0.008 0.000 1.072 426 H CA 1.002 57.049 56.048 -0.001 0.000 1.444 426 H CB 1.346 31.102 29.762 -0.010 0.000 1.458 426 H HN 0.784 nan 8.280 nan 0.000 0.572 427 S N 2.206 117.977 115.700 0.118 0.000 2.558 427 S HA 0.039 4.508 4.470 -0.001 0.000 0.217 427 S C 0.582 175.223 174.600 0.069 0.000 0.975 427 S CA -0.087 58.158 58.200 0.076 0.000 0.912 427 S CB 0.488 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.385 120.231 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.904 30.658 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.375 115.330 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.633 58.200 -0.003 0.000 0.980 429 S CB 0.877 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.298 123.512 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.921 178.809 176.870 0.030 0.000 1.085 430 L CA 2.068 56.917 54.840 0.015 0.000 0.760 430 L CB -0.225 41.849 42.059 0.026 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.628 118.775 120.400 0.005 0.000 2.355 431 D HA -0.081 4.558 4.640 -0.001 0.000 0.206 431 D C 0.882 177.176 176.300 -0.011 0.000 1.010 431 D CA 0.133 54.129 54.000 -0.008 0.000 0.875 431 D CB 0.030 40.815 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.170 121.668 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.556 176.860 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.446 30.746 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.483 121.712 121.223 0.009 0.000 2.609 433 L HA 0.224 4.563 4.340 -0.001 0.000 0.230 433 L C 0.350 177.230 176.870 0.017 0.000 1.064 433 L CA 0.853 55.707 54.840 0.024 0.000 0.873 433 L CB 0.139 42.229 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.876 118.724 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.371 54.923 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.773 32.600 -0.036 0.000 1.313 434 M HN -0.141 nan 8.290 nan 0.000 0.530 435 N N 0.763 119.455 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.041 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.705 39.189 38.487 -0.005 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.019 nan 4.420 nan 0.000 0.225 436 P C 0.814 178.110 177.300 -0.007 0.000 1.148 436 P CA 0.641 63.737 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.187 31.700 -0.003 0.000 0.780 437 L N -2.122 119.097 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.685 55.523 54.840 -0.003 0.000 0.850 437 L CB -0.285 41.774 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.678 119.888 120.570 -0.006 0.000 2.607 438 I HA 0.307 4.477 4.170 -0.001 0.000 0.305 438 I C -0.525 175.580 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.288 39.288 38.000 0.001 0.000 1.323 438 I HN -0.061 nan 8.210 nan 0.000 0.461 439 D N 2.947 123.336 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 439 D C 0.189 176.451 176.300 -0.064 0.000 1.049 439 D CA -0.345 53.631 54.000 -0.040 0.000 0.929 439 D CB 0.848 41.626 40.800 -0.036 0.000 1.176 439 D HN 0.352 nan 8.370 nan 0.000 0.437 440 Q N 0.133 119.862 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.133 176.034 176.000 -0.165 0.000 1.062 440 Q CA -0.218 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.463 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.015 118.250 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.186 175.706 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.985 122.163 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.049 0.000 1.057 442 L CA -1.042 53.827 54.840 0.049 0.000 0.803 442 L CB 1.089 43.126 42.059 -0.036 0.000 1.207 442 L HN 0.085 nan 8.230 nan 0.000 0.445 443 Y N 0.407 120.749 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.576 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.853 40.294 38.460 -0.032 0.000 1.226 443 Y HN 0.394 nan 8.280 nan 0.000 0.460 444 Y N 0.437 120.886 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.630 174.481 175.900 0.351 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.254 124.729 121.223 0.419 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.034 176.916 176.870 0.132 0.000 1.044 445 L CA -0.078 54.845 54.840 0.139 0.000 0.810 445 L CB 0.587 42.700 42.059 0.090 0.000 1.193 445 L HN 1.044 nan 8.230 nan 0.000 0.425 446 N N 2.577 121.281 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.049 121.488 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.289 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.488 31.728 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.543 112.956 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.493 62.541 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.067 120.836 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.013 55.766 55.803 -0.040 0.000 0.962 449 Q CB -0.491 28.230 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.741 110.521 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.231 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.855 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.671 175.361 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.471 4.350 -0.001 0.000 0.239 452 T C 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.651 68.212 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.617 118.311 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.244 175.840 174.600 -0.007 0.000 1.263 453 S CA -0.159 58.035 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.009 0.000 1.611 453 S HN 0.812 nan 8.310 nan 0.000 0.483 454 G N 2.010 110.806 108.800 -0.007 0.000 2.449 454 G HA2 0.292 4.252 3.960 -0.001 0.000 0.192 454 G HA3 0.292 4.252 3.960 -0.001 0.000 0.192 454 G C -0.224 174.672 174.900 -0.006 0.000 1.776 454 G CA -0.122 44.974 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.598 116.148 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.824 4.350 -0.001 0.000 0.280 455 T C 0.289 174.985 174.700 -0.006 0.000 0.995 455 T CA 0.560 62.657 62.100 -0.005 0.000 1.009 455 T CB 1.244 70.109 68.868 -0.004 0.000 0.955 455 T HN 0.510 nan 8.240 nan 0.000 0.452 456 T N 3.290 117.841 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.857 174.700 -0.008 0.000 0.758 456 T CA 0.576 62.673 62.100 -0.006 0.000 1.874 456 T CB -1.237 67.628 68.868 -0.005 0.000 1.875 456 T HN 0.618 nan 8.240 nan 0.000 0.802 457 N N 1.679 120.374 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.288 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.276 120.069 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.328 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.842 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.072 28.659 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.643 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.083 66.268 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.215 120.686 120.500 -0.048 0.000 2.687 460 R HA 0.415 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.138 126.288 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.248 54.840 -0.264 0.000 0.824 461 L CB 0.849 42.816 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.667 124.560 121.223 -0.549 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.562 176.870 -0.645 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.966 43.906 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.300 120.214 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.317 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.231 41.206 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.565 117.157 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.827 173.510 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.666 64.618 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.384 121.965 119.800 -0.364 0.000 2.286 465 Q HA 0.530 4.870 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.201 0.000 0.941 465 Q CA -0.708 54.651 55.803 -0.740 0.000 0.912 465 Q CB 0.790 28.970 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.162 125.957 122.820 -0.041 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.002 0.000 1.053 466 A CA 0.764 52.873 52.037 0.119 0.000 0.755 466 A CB 0.038 19.047 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.149 109.966 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.375 172.518 174.900 -0.011 0.000 1.341 467 G CA -1.167 43.932 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.869 177.300 -0.012 0.000 1.145 468 P CA 1.117 64.207 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.249 119.550 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.331 176.000 -0.001 0.000 0.976 469 Q CA 1.557 57.362 55.803 0.003 0.000 0.828 469 Q CB -0.772 27.975 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.337 116.042 115.700 0.009 0.000 3.864 470 S HA 0.130 4.599 4.470 -0.001 0.000 0.202 470 S C 0.993 175.545 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.983 58.200 -0.019 0.000 1.072 470 S CB -0.176 63.052 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.111 121.673 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.638 177.885 176.300 -0.090 0.000 1.068 471 M CA 1.352 56.612 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.533 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.141 114.498 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.729 4.470 -0.001 0.000 0.242 472 S C 0.841 175.344 174.600 -0.162 0.000 0.982 472 S CA -0.543 57.592 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.231 120.844 121.223 -0.247 0.000 2.948 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.259 473 L C 0.632 177.218 176.870 -0.474 0.000 1.136 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.959 473 L CB 0.096 41.749 42.059 -0.677 0.000 1.370 473 L HN 0.264 nan 8.230 nan 0.000 0.552 474 Q N 1.353 120.964 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.509 176.411 176.000 -0.164 0.000 1.059 474 Q CA -0.093 55.580 55.803 -0.217 0.000 0.923 474 Q CB 0.836 29.486 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.081 124.828 122.820 -0.122 0.000 2.531 475 A HA 0.154 4.473 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.263 52.239 52.037 -0.103 0.000 0.760 475 A CB 0.281 19.228 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.328 120.755 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.350 176.512 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.410 56.100 -0.142 0.000 0.982 476 R CB 1.042 31.287 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.450 118.028 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.995 175.510 -0.913 0.000 1.117 477 N CA 0.345 52.926 53.050 -0.782 0.000 0.883 477 N CB 0.473 38.270 38.487 -1.149 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.168 121.470 121.300 0.004 0.000 2.975 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.342 478 W C -0.609 175.926 176.519 0.027 0.000 1.168 478 W CA -0.816 56.540 57.345 0.019 0.000 1.141 478 W CB 0.834 30.298 29.460 0.007 0.000 1.445 478 W HN -0.354 nan 8.180 nan 0.000 0.560 479 L N 1.946 123.363 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.103 174.894 176.870 0.213 0.000 1.012 479 L CA -2.808 52.163 54.840 0.217 0.000 0.815 479 L CB 0.581 42.772 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.222 nan 4.420 nan 0.000 0.275 480 P C -0.067 177.380 177.300 0.245 0.000 1.266 480 P CA -0.344 62.852 63.100 0.159 0.000 0.793 480 P CB 0.442 32.178 31.700 0.060 0.000 1.074 481 G N 0.596 109.541 108.800 0.242 0.000 2.683 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.260 481 G C -2.297 172.651 174.900 0.079 0.000 1.238 481 G CA -0.929 44.276 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.199 177.300 -0.099 0.000 1.260 482 P CA -0.114 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.832 32.317 31.700 -0.358 0.000 1.048 483 C N -0.814 118.415 119.300 -0.119 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.676 173.347 174.990 0.056 0.000 1.310 483 C CA -0.731 58.288 59.018 0.003 0.000 1.371 483 C CB 0.695 28.502 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.928 122.199 120.300 -0.049 0.000 2.484 484 Y HA 0.483 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.311 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.433 38.876 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.690 124.102 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.077 0.000 0.953 485 R CA 0.785 56.829 56.100 -0.094 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.613 nan 8.270 nan 0.000 0.410 486 Q N 2.159 121.940 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.474 4.340 -0.001 0.000 0.262 486 Q C -0.710 175.249 176.000 -0.068 0.000 1.014 486 Q CA -0.857 54.913 55.803 -0.055 0.000 0.885 486 Q CB 1.626 30.318 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.139 120.894 119.800 -0.075 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.159 55.943 55.803 -0.031 0.000 0.882 487 Q CB 0.765 29.541 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.005 123.479 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.784 4.340 -0.001 0.000 0.305 488 R C -1.185 175.097 176.300 -0.030 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.355 30.598 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.781 122.893 121.223 -0.186 0.000 2.341 489 L HA 0.433 4.773 4.340 -0.001 0.000 0.267 489 L C -0.249 176.516 176.870 -0.175 0.000 1.009 489 L CA -0.182 54.486 54.840 -0.286 0.000 0.819 489 L CB 2.019 43.577 42.059 -0.835 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.103 115.769 115.700 -0.056 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.744 175.343 174.600 -0.001 0.000 1.092 490 S CA -0.570 57.522 58.200 -0.181 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.112 121.516 120.400 0.008 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.802 176.600 0.013 0.000 1.048 491 K CA 0.731 57.069 56.287 0.086 0.000 0.966 491 K CB -0.203 32.317 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.752 116.277 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.564 4.350 -0.001 0.000 0.295 492 T C 0.496 175.196 174.700 -0.000 0.000 0.915 492 T CA -0.365 61.715 62.100 -0.033 0.000 1.066 492 T CB 1.296 70.129 68.868 -0.059 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.769 122.820 0.018 0.000 2.190 493 A HA 0.068 4.387 4.320 -0.001 0.000 0.226 493 A C 1.517 179.123 177.584 0.037 0.000 1.402 493 A CA -0.084 51.975 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.014 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.277 120.400 0.041 0.000 2.323 495 D HA 0.092 4.731 4.640 -0.001 0.000 0.209 495 D C 0.097 176.447 176.300 0.083 0.000 0.973 495 D CA 0.539 54.579 54.000 0.066 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.615 175.510 0.060 0.000 1.205 496 N CA -0.333 52.781 53.050 0.107 0.000 0.974 496 N CB 0.442 39.040 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.165 175.365 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.139 38.469 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.639 120.353 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.844 174.707 175.510 0.068 0.000 1.291 498 N CA -0.276 52.807 53.050 0.054 0.000 1.202 498 N CB -0.031 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.033 115.807 115.700 0.124 0.000 2.661 499 S HA 0.295 4.764 4.470 -0.001 0.000 0.285 499 S C -0.772 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.605 64.861 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.741 119.596 118.700 0.259 0.000 2.699 500 N HA 0.420 5.160 4.740 -0.001 0.000 0.232 500 N C -0.603 175.062 175.510 0.258 0.000 1.027 500 N CA -1.037 52.141 53.050 0.212 0.000 0.920 500 N CB -0.283 38.270 38.487 0.110 0.000 1.148 500 N HN 0.679 nan 8.380 nan 0.000 0.509 501 F N 1.165 121.157 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.842 174.021 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.668 39.691 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.185 177.300 0.178 0.000 1.197 502 P CA 1.107 64.161 63.100 -0.078 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.285 121.021 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.908 177.462 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.117 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.483 114.131 114.554 0.099 0.000 3.055 504 T HA 0.224 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.049 174.700 -0.007 0.000 1.111 504 T CA 1.130 63.227 62.100 -0.005 0.000 1.118 504 T CB 0.043 68.987 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.106 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.646 177.584 0.108 0.000 1.202 505 A CA -0.074 52.038 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.008 122.848 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.997 177.584 0.061 0.000 1.108 506 A CA -0.244 51.856 52.037 0.106 0.000 0.830 506 A CB 0.381 19.525 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.789 116.580 115.700 0.152 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.007 174.736 174.600 0.216 0.000 1.321 507 S CA -0.221 58.099 58.200 0.198 0.000 1.054 507 S CB 0.174 63.554 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.139 121.644 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.076 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.674 118.650 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.097 174.877 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.750 nan 8.280 nan 0.000 0.480 510 H N 1.950 121.174 119.070 0.256 0.000 2.877 510 H HA 0.550 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.100 175.328 0.230 0.000 1.042 510 H CA -1.050 55.090 56.048 0.154 0.000 1.276 510 H CB 1.574 31.380 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.173 125.481 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.400 177.340 176.870 0.117 0.000 1.013 511 L CA -0.645 54.234 54.840 0.065 0.000 0.819 511 L CB 1.072 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.171 121.921 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.767 37.782 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.001 109.013 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.593 45.873 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.399 121.066 120.500 0.278 0.000 2.507 514 R HA 0.280 4.620 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.792 31.194 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.971 122.475 120.400 0.173 0.000 2.417 515 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.807 54.874 54.000 0.112 0.000 0.881 515 D CB 1.543 42.435 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.634 117.157 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.375 173.955 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.413 0.000 0.999 516 S CB 1.811 64.573 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.055 125.187 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.646 4.340 -0.001 0.000 0.274 517 L C -0.239 176.575 176.870 -0.094 0.000 1.135 517 L CA 0.179 54.942 54.840 -0.127 0.000 0.870 517 L CB 0.528 42.533 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.865 126.792 119.914 0.022 0.000 2.070 518 V HA -0.003 4.116 4.120 -0.001 0.000 0.239 518 V C 1.370 177.557 176.094 0.156 0.000 1.472 518 V CA 0.122 62.518 62.300 0.159 0.000 1.453 518 V CB -0.963 30.977 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.271 123.984 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.075 54.150 53.050 0.041 0.000 0.860 519 N CB -0.434 38.026 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.456 176.921 177.300 0.127 0.000 1.340 520 P CA -0.347 62.841 63.100 0.147 0.000 0.799 520 P CB 1.219 32.985 31.700 0.110 0.000 0.917 521 G N 4.835 113.716 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.418 4.377 3.960 -0.001 0.000 0.269 521 G C -2.420 172.517 174.900 0.061 0.000 1.416 521 G CA -1.674 43.477 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.151 177.172 177.300 0.039 0.000 1.205 522 P CA 0.162 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.984 31.700 -0.061 0.000 0.858 523 A N 3.474 126.321 122.820 0.045 0.000 2.496 523 A HA 0.306 4.626 4.320 -0.001 0.000 0.278 523 A C 0.113 177.741 177.584 0.074 0.000 1.137 523 A CA 0.510 52.600 52.037 0.088 0.000 0.805 523 A CB -1.037 18.043 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.249 121.897 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.611 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.107 123.956 122.820 0.047 0.000 2.445 525 A HA 0.328 4.648 4.320 -0.001 0.000 0.242 525 A C 0.771 178.375 177.584 0.033 0.000 1.075 525 A CA -0.171 51.877 52.037 0.018 0.000 0.777 525 A CB 0.219 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.936 nan 8.150 nan 0.000 0.493 526 S N 0.461 116.181 115.700 0.035 0.000 2.395 526 S HA 0.039 4.509 4.470 -0.001 0.000 0.225 526 S C 0.680 175.403 174.600 0.205 0.000 1.027 526 S CA 1.282 59.568 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.248 119.382 119.070 0.107 0.000 3.037 527 H HA 0.499 5.055 4.556 -0.001 0.000 0.355 527 H C -1.213 174.160 175.328 0.075 0.000 1.263 527 H CA -1.189 54.924 56.048 0.107 0.000 1.129 527 H CB 0.972 30.827 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.766 121.263 120.400 0.162 0.000 2.179 528 K HA 0.225 4.545 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.776 55.563 56.287 0.086 0.000 0.926 528 K CB 0.651 33.181 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.271 121.731 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.953 176.300 0.128 0.000 1.149 529 D CA 0.939 55.006 54.000 0.112 0.000 0.878 529 D CB 0.071 40.907 40.800 0.061 0.000 1.198 529 D HN 0.568 nan 8.370 nan 0.000 0.446 530 D N 1.470 121.945 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.446 40.396 40.800 0.070 0.000 1.060 530 D HN 0.588 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.559 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.070 0.000 1.260 531 E CA -0.085 56.384 56.400 0.115 0.000 1.240 531 E CB 0.405 30.256 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.760 120.716 120.200 -0.405 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.152 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 56.400 -0.782 0.000 1.222 532 E CB -1.044 28.457 29.700 -0.332 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.983 119.283 120.400 -0.223 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.593 176.600 -0.234 0.000 1.103 533 K CA 0.115 56.260 56.287 -0.236 0.000 0.986 533 K CB 0.262 32.555 32.500 -0.346 0.000 0.952 533 K HN 0.054 nan 8.250 nan 0.000 0.541 534 F N 3.007 122.969 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.170 175.706 175.800 0.127 0.000 1.120 534 F CA -1.336 56.687 58.000 0.039 0.000 1.144 534 F CB 0.670 39.676 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.252 123.310 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.750 175.800 0.113 0.000 1.090 535 F CA -3.843 54.239 58.000 0.137 0.000 0.945 535 F CB 0.772 39.817 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.059 nan 4.420 nan 0.000 0.268 536 P C -0.270 176.988 177.300 -0.069 0.000 1.204 536 P CA -0.212 62.883 63.100 -0.008 0.000 0.768 536 P CB 0.640 32.374 31.700 0.058 0.000 0.842 537 M N 5.647 125.113 119.600 -0.224 0.000 2.734 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.356 537 M C 1.082 177.094 176.300 -0.481 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.406 31.038 32.600 -0.261 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.845 120.033 119.070 0.197 0.000 2.884 538 H HA -0.197 4.358 4.556 -0.001 0.000 0.289 538 H C 0.509 175.915 175.328 0.130 0.000 1.142 538 H CA 0.585 56.722 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.921 109.757 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.034 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.034 3.960 -0.001 0.000 0.213 539 G C 0.416 175.404 174.900 0.146 0.000 1.196 539 G CA 0.409 45.566 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.206 117.585 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.615 173.914 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.396 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.017 176.647 176.870 -0.401 0.000 1.124 541 L CA -0.043 54.665 54.840 -0.220 0.000 0.816 541 L CB 0.319 42.231 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.787 123.058 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -1.000 174.805 176.117 -0.520 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.476 39.340 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.916 122.818 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.992 176.757 175.800 -0.058 0.000 1.104 543 F CA -0.737 57.231 58.000 -0.053 0.000 1.013 543 F CB 1.852 40.823 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.754 111.639 108.800 0.141 0.000 2.353 544 G HA2 0.341 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.341 4.301 3.960 -0.001 0.000 0.284 544 G C -0.501 174.420 174.900 0.036 0.000 1.172 544 G CA -0.715 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.697 121.094 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.548 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.536 120.694 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.059 0.000 0.911 546 E CB 0.115 29.759 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.684 112.470 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.092 45.181 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.402 115.949 114.554 -0.012 0.000 3.578 548 T HA 0.460 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.003 62.100 -0.014 0.000 1.092 548 T CB 1.178 70.036 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.507 117.055 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.629 176.323 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.372 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.510 125.325 122.820 -0.008 0.000 2.206 550 A HA 0.220 4.540 4.320 -0.001 0.000 0.211 550 A C 1.425 178.998 177.584 -0.018 0.000 1.158 550 A CA 0.258 52.289 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.144 115.833 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.127 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.302 62.885 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.264 120.951 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.498 175.002 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.058 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.213 124.022 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.323 177.895 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.479 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.013 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.122 120.309 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.884 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.174 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.574 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.436 123.643 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.763 177.601 176.870 -0.053 0.000 1.117 555 L CA 1.800 56.613 54.840 -0.044 0.000 0.782 555 L CB -0.092 41.949 42.059 -0.030 0.000 0.914 555 L HN 0.550 nan 8.230 nan 0.000 0.441 556 D N -0.707 119.668 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.920 177.193 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 40.770 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.050 118.724 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.239 175.725 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.606 40.073 38.487 -0.033 0.000 0.996 557 N HN 0.098 nan 8.380 nan 0.000 0.503 558 V N -2.118 117.765 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.374 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.980 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.446 34.226 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.844 122.424 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.249 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.152 55.300 -0.022 0.000 0.918 559 M CB 1.674 34.300 32.600 0.043 0.000 1.504 559 M HN 0.553 nan 8.290 nan 0.000 0.420 560 I N 2.359 122.856 120.570 -0.121 0.000 2.428 560 I HA 0.369 4.539 4.170 -0.001 0.000 0.296 560 I C 0.587 176.642 176.117 -0.104 0.000 0.985 560 I CA -0.679 60.513 61.300 -0.179 0.000 1.260 560 I CB 1.798 39.599 38.000 -0.333 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.301 114.788 114.554 -0.110 0.000 2.767 561 T HA 0.307 4.657 4.350 -0.001 0.000 0.288 561 T C -0.553 174.183 174.700 0.059 0.000 0.963 561 T CA -0.848 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.464 70.163 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.171 122.650 120.400 0.132 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.086 176.338 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.931 41.869 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.263 123.567 120.200 0.173 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.071 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.327 30.111 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.356 119.846 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.301 176.868 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.376 56.400 -0.098 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.083 121.264 120.200 -0.032 0.000 2.340 565 E HA 0.082 4.432 4.350 -0.001 0.000 0.194 565 E C 1.702 178.276 176.600 -0.045 0.000 0.996 565 E CA 0.412 56.781 56.400 -0.052 0.000 0.869 565 E CB 0.114 29.765 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.894 118.662 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.419 4.170 -0.001 0.000 0.327 566 I C 1.035 177.164 176.117 0.019 0.000 1.359 566 I CA -0.126 61.177 61.300 0.006 0.000 1.142 566 I CB 0.114 38.127 38.000 0.022 0.000 1.041 566 I HN -0.128 nan 8.210 nan 0.000 0.403 567 R N 1.491 121.988 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.995 178.298 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.363 29.916 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.822 110.747 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.680 176.386 174.700 0.009 0.000 1.094 568 T CA 0.938 63.050 62.100 0.020 0.000 1.088 568 T CB 0.380 69.273 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.594 112.982 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.078 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.252 68.650 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.181 120.930 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.779 40.325 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.698 176.626 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 63.100 0.041 0.000 0.788 571 P CB 0.560 32.335 31.700 0.125 0.000 0.949 572 V N 1.388 121.313 119.914 0.018 0.000 2.614 572 V HA 0.183 4.303 4.120 -0.001 0.000 0.291 572 V C 1.636 177.751 176.094 0.034 0.000 1.049 572 V CA 0.439 62.750 62.300 0.019 0.000 1.038 572 V CB 0.234 32.060 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.799 126.644 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.323 54.386 52.037 0.044 0.000 0.623 573 A CB -0.709 18.326 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.564 111.993 114.554 0.004 0.000 3.014 574 T HA 0.068 4.417 4.350 -0.001 0.000 0.263 574 T C 0.765 175.439 174.700 -0.044 0.000 1.078 574 T CA 0.427 62.510 62.100 -0.029 0.000 1.135 574 T CB -0.161 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.392 122.573 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.019 0.000 1.213 575 E CA -0.320 56.057 56.400 -0.038 0.000 0.945 575 E CB 0.475 30.154 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.333 119.455 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.327 4.340 -0.001 0.000 0.191 576 Q C 0.656 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.043 55.852 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.290 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.634 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.835 39.275 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.636 108.800 0.048 0.000 2.588 578 G HA2 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 4.359 3.960 -0.001 0.000 0.281 578 G C -1.457 173.464 174.900 0.035 0.000 1.223 578 G CA -0.365 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.067 nan 8.290 nan 0.000 0.492 579 T N 0.178 114.749 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.853 173.867 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.658 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.165 122.098 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.348 176.451 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.729 33.569 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.161 125.990 122.820 0.015 0.000 2.322 581 A HA 0.677 4.996 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.381 51.663 52.037 0.011 0.000 0.807 581 A CB 0.180 19.187 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.139 119.842 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.200 174.311 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.111 38.598 38.487 0.001 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.118 176.991 176.870 0.006 0.000 1.088 584 L CA -0.852 53.992 54.840 0.007 0.000 0.975 584 L CB 0.508 42.571 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.008 121.811 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.746 4.340 -0.001 0.000 0.287 585 Q C 0.040 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.003 55.803 55.803 0.004 0.000 0.918 585 Q CB 1.137 29.878 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.472 116.173 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.448 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.326 63.527 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.225 116.925 115.700 -0.001 0.000 2.399 587 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.108 59.307 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.325 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.536 120.235 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.053 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.344 174.356 174.700 -0.002 0.000 0.993 589 T CA -0.806 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.417 71.285 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.943 127.761 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.157 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.662 50.373 52.037 -0.003 0.000 0.818 590 A CB -0.260 18.738 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.318 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.555 63.655 63.100 -0.000 0.000 0.761 591 P CB 0.274 31.974 31.700 0.001 0.000 0.785 592 T N 2.564 117.117 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.178 174.877 174.700 -0.001 0.000 1.000 592 T CA -0.222 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.956 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.355 117.907 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.116 69.981 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.288 122.787 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.459 31.757 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.377 117.928 114.554 -0.005 0.000 2.779 595 T HA 0.066 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.532 174.700 0.006 0.000 0.938 595 T CA -0.033 62.067 62.100 0.000 0.000 1.119 595 T CB 0.647 69.508 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.847 125.783 119.914 0.036 0.000 2.408 596 V HA 0.271 4.391 4.120 -0.001 0.000 0.267 596 V C 0.604 176.718 176.094 0.033 0.000 1.047 596 V CA -0.343 61.977 62.300 0.034 0.000 0.937 596 V CB 0.456 32.324 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.465 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 597 N C -0.416 175.016 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.612 39.038 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.963 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.634 176.300 -0.216 0.000 1.277 598 D CA -0.352 53.542 54.000 -0.177 0.000 0.918 598 D CB 1.525 42.223 40.800 -0.170 0.000 1.462 598 D HN -0.254 nan 8.370 nan 0.000 0.559 599 Q N 2.586 122.207 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.097 175.919 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.674 29.800 28.738 -1.019 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.996 110.660 108.800 -0.226 0.000 2.441 600 G HA2 0.489 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.489 4.449 3.960 -0.001 0.000 0.258 600 G C -0.674 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.268 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.604 176.950 177.584 -0.050 0.000 1.164 601 A CA -0.404 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.787 19.594 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.097 123.348 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.434 176.870 0.163 0.000 0.984 602 L CA -2.018 52.876 54.840 0.089 0.000 0.819 602 L CB 2.674 44.782 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.679 178.102 177.300 0.204 0.000 1.199 603 P CA 0.678 63.882 63.100 0.175 0.000 0.763 603 P CB 0.723 32.501 31.700 0.130 0.000 0.790 604 G N 2.482 111.448 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.209 604 G C 0.223 175.362 174.900 0.397 0.000 0.997 604 G CA -0.530 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.504 121.301 119.600 0.327 0.000 2.239 605 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 605 M C 0.697 177.216 176.300 0.366 0.000 1.239 605 M CA 0.218 55.730 55.300 0.353 0.000 1.114 605 M CB 1.274 34.086 32.600 0.353 0.000 1.641 605 M HN 0.591 nan 8.290 nan 0.000 0.453 606 V N 1.212 121.307 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.533 174.743 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.860 33.581 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.513 122.773 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.297 175.195 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.388 30.826 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.171 121.093 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.795 4.340 -0.001 0.000 0.269 608 Q C -1.083 175.038 176.000 0.202 0.000 1.051 608 Q CA -0.318 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.721 30.465 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.128 120.586 120.400 0.096 0.000 2.440 609 D HA 0.365 5.004 4.640 -0.001 0.000 0.258 609 D C -0.461 175.907 176.300 0.114 0.000 1.092 609 D CA -0.513 53.587 54.000 0.167 0.000 1.016 609 D CB 0.850 41.757 40.800 0.177 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.564 121.155 120.500 0.150 0.000 2.679 610 R HA 0.075 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.260 176.300 0.152 0.000 1.044 610 R CA 0.072 56.261 56.100 0.148 0.000 1.105 610 R CB 0.334 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.450 120.903 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.497 176.300 -0.272 0.000 1.218 611 D CA -0.189 53.785 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.598 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.412 119.230 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.667 176.094 -0.470 0.000 1.054 612 V CA -0.728 61.341 62.300 -0.385 0.000 0.928 612 V CB 1.099 32.690 31.823 -0.387 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.339 122.707 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.400 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.791 40.312 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.600 122.371 121.223 -0.755 0.000 2.151 614 L HA -0.252 4.087 4.340 -0.001 0.000 0.215 614 L C 1.722 178.338 176.870 -0.423 0.000 1.084 614 L CA 2.070 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.395 40.935 42.059 -1.215 0.000 0.891 614 L HN 0.821 nan 8.230 nan 0.000 0.435 615 Q N -1.210 118.465 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.021 0.000 0.837 615 Q CA 0.348 56.168 55.803 0.028 0.000 1.032 615 Q CB -0.326 28.347 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.984 108.800 0.229 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.347 174.900 0.371 0.000 1.210 616 G CA -1.406 43.978 45.100 0.473 0.000 0.960 616 G HN 0.076 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.803 177.300 0.075 0.000 1.223 617 P CA -0.239 62.906 63.100 0.074 0.000 0.784 617 P CB 1.132 32.871 31.700 0.065 0.000 0.923 618 I N -0.512 119.940 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.395 0.000 1.082 618 I CA 0.634 61.886 61.300 -0.082 0.000 1.447 618 I CB -0.381 37.560 38.000 -0.097 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.511 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.219 0.000 1.190 619 W CA -1.203 56.321 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.331 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.335 124.450 122.820 0.492 0.000 2.555 620 A HA 0.465 4.784 4.320 -0.001 0.000 0.297 620 A C -1.411 176.345 177.584 0.287 0.000 1.060 620 A CA -1.115 51.122 52.037 0.334 0.000 0.710 620 A CB 1.388 20.500 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.302 122.827 120.400 0.208 0.000 2.412 621 K HA 0.388 4.707 4.320 -0.001 0.000 0.281 621 K C -0.654 175.913 176.600 -0.055 0.000 1.027 621 K CA -0.047 56.184 56.287 -0.093 0.000 0.989 621 K CB 0.146 32.404 32.500 -0.404 0.000 0.935 621 K HN 0.579 nan 8.250 nan 0.000 0.475 622 I N 7.754 128.239 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.860 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.285 58.921 61.300 -0.157 0.000 1.351 622 I CB 0.935 38.762 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.516 176.858 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.473 121.564 119.070 0.036 0.000 3.216 624 H HA 0.239 4.795 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.505 29.262 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.461 114.108 114.554 0.024 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.488 174.700 -0.235 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.293 70.140 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.456 120.746 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.918 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.094 54.979 54.000 -0.192 0.000 0.852 626 D CB -0.220 40.521 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.718 107.832 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.108 173.447 174.900 -0.575 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.974 120.067 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.677 174.754 175.328 0.171 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.362 32.138 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.102 120.156 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.240 0.000 1.010 629 F CA 0.374 58.474 58.000 0.167 0.000 1.100 629 F CB 0.437 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.173 121.264 119.070 0.034 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.128 173.263 175.328 0.104 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.009 0.000 1.301 630 H CB 0.768 30.638 29.762 0.180 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.054 nan 4.420 nan 0.000 0.279 631 P C 0.098 177.393 177.300 -0.009 0.000 1.451 631 P CA 0.284 63.363 63.100 -0.034 0.000 0.783 631 P CB -0.232 31.381 31.700 -0.145 0.000 1.490 632 S N 1.558 117.289 115.700 0.052 0.000 2.499 632 S HA 0.321 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.703 56.561 58.200 0.106 0.000 1.050 632 S CB -0.187 63.129 63.200 0.194 0.000 0.937 632 S HN -0.056 nan 8.310 nan 0.000 0.490 633 P HA 0.030 nan 4.420 nan 0.000 0.262 633 P C 0.596 177.969 177.300 0.121 0.000 1.182 633 P CA 0.129 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.250 123.540 121.223 0.110 0.000 2.201 634 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 634 L C 2.017 178.957 176.870 0.115 0.000 1.105 634 L CA 1.365 56.271 54.840 0.111 0.000 0.775 634 L CB -0.473 41.638 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.521 119.145 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.205 176.300 0.153 0.000 1.111 635 M CA 0.492 55.864 55.300 0.118 0.000 1.070 635 M CB -0.191 32.465 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.204 108.679 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 636 G C -0.274 174.684 174.900 0.097 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.028 107.766 108.800 -0.010 0.000 2.428 637 G HA2 0.389 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.348 3.960 -0.001 0.000 0.202 637 G C -0.446 174.331 174.900 -0.205 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.827 121.935 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.226 0.000 1.044 638 F CB 2.067 41.212 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.884 113.851 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.014 173.957 174.900 0.119 0.000 1.126 639 G CA -0.515 44.687 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.928 124.203 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.840 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.333 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.923 121.182 120.400 -0.235 0.000 2.057 641 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.381 176.600 -0.831 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.295 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.268 119.170 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.457 172.795 175.328 -0.126 0.000 1.346 642 H CA -2.123 53.701 56.048 -0.374 0.000 1.502 642 H CB 1.171 30.888 29.762 -0.074 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.435 0.000 1.261 643 P CA -1.877 61.047 63.100 -0.294 0.000 0.800 643 P CB 0.024 31.561 31.700 -0.271 0.000 1.066 644 P HA 0.022 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -0.287 0.000 1.172 644 P CA -0.268 62.109 63.100 -1.205 0.000 0.762 644 P CB -1.124 29.905 31.700 -1.119 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.735 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.717 32.270 31.700 -0.245 0.000 0.978 646 Q N 0.633 120.331 119.800 -0.170 0.000 2.304 646 Q HA 0.330 4.670 4.340 -0.001 0.000 0.260 646 Q C -0.452 175.240 176.000 -0.514 0.000 0.965 646 Q CA -0.280 55.329 55.803 -0.323 0.000 0.898 646 Q CB 0.213 28.707 28.738 -0.406 0.000 1.196 646 Q HN 0.329 nan 8.270 nan 0.000 0.402 647 I N 3.042 123.343 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.507 175.377 176.117 -0.387 0.000 1.041 647 I CA -0.207 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.613 38.256 38.000 -0.595 0.000 1.370 647 I HN 0.479 nan 8.210 nan 0.000 0.470 648 M N 6.584 125.758 119.600 -0.710 0.000 2.250 648 M HA 0.550 5.030 4.480 -0.001 0.000 0.344 648 M C -0.646 175.637 176.300 -0.028 0.000 1.150 648 M CA -0.247 54.772 55.300 -0.470 0.000 1.147 648 M CB 1.202 33.171 32.600 -1.052 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.111 123.831 120.570 0.250 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.833 174.283 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.085 61.300 0.132 0.000 1.036 649 I CB 1.640 39.628 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.963 124.215 120.400 -0.245 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.907 174.518 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.702 32.580 32.500 -1.038 0.000 1.397 650 K HN 0.348 nan 8.250 nan 0.000 0.422 651 N N 1.305 119.909 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 651 N C -0.741 174.684 175.510 -0.142 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.914 39.402 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.652 118.123 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.496 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.696 61.293 62.100 -0.184 0.000 1.147 652 T CB 0.295 69.101 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.205 177.300 -0.291 0.000 1.195 653 P CA -0.133 62.463 63.100 -0.840 0.000 0.762 653 P CB 0.345 31.436 31.700 -1.015 0.000 0.799 654 V N 7.064 126.926 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.286 0.000 1.018 654 V CA -2.101 60.249 62.300 0.084 0.000 0.814 654 V CB 1.347 33.205 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 0.000 1.195 655 P CA 0.416 63.515 63.100 -0.002 0.000 0.768 655 P CB 0.772 32.169 31.700 -0.505 0.000 0.838 656 A N 3.111 126.036 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.104 177.784 177.584 0.161 0.000 1.372 656 A CA -0.668 51.457 52.037 0.145 0.000 0.886 656 A CB -0.334 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.066 119.826 118.700 0.101 0.000 2.315 657 N HA 0.164 4.903 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.432 52.668 53.050 0.084 0.000 0.860 657 N CB 0.073 38.586 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.311 61.876 63.100 0.145 0.000 0.844 658 P CB 0.409 32.247 31.700 0.229 0.000 1.068 659 P HA 0.179 nan 4.420 nan 0.000 0.275 659 P C 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.055 63.049 63.100 0.007 0.000 0.781 659 P CB 0.212 31.892 31.700 -0.033 0.000 0.906 660 T N -0.669 113.907 114.554 0.036 0.000 2.977 660 T HA -0.057 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 63.437 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.982 115.570 114.554 0.056 0.000 2.902 661 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 661 T C -0.909 173.860 174.700 0.115 0.000 1.009 661 T CA -0.969 61.178 62.100 0.078 0.000 1.051 661 T CB 0.300 69.192 68.868 0.040 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.623 124.579 119.950 0.011 0.000 2.506 662 F HA 0.490 5.017 4.527 -0.001 0.000 0.371 662 F C 0.297 176.103 175.800 0.010 0.000 1.078 662 F CA -0.322 57.688 58.000 0.018 0.000 1.195 662 F CB 0.357 39.370 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.584 122.895 115.700 -0.648 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.684 172.410 174.600 -0.844 0.000 1.090 663 S CA -1.370 56.440 58.200 -0.650 0.000 1.089 663 S CB 1.285 64.292 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.293 177.494 177.300 -0.166 0.000 1.153 664 P CA 0.257 63.117 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.464 31.700 -0.211 0.000 0.796 665 A N 0.870 123.585 122.820 -0.175 0.000 2.586 665 A HA -0.064 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.027 51.950 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.507 19.000 -0.125 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.833 121.235 120.400 0.003 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.731 175.903 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.041 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.018 122.972 119.950 0.007 0.000 2.467 667 F HA 0.215 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.124 0.000 1.090 667 F CA 0.605 58.549 58.000 -0.092 0.000 1.202 667 F CB 1.178 40.116 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.512 177.982 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.067 0.000 1.008 668 A CB -0.074 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.723 116.182 115.700 -0.401 0.000 2.411 669 S HA 0.639 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.511 174.600 -0.190 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.213 0.000 1.068 669 S CB -0.620 62.448 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.367 123.454 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.418 176.307 175.800 0.148 0.000 1.058 670 F CA -1.194 56.931 58.000 0.209 0.000 0.944 670 F CB 1.307 40.461 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.792 122.568 120.570 0.343 0.000 2.416 671 I HA 0.117 4.287 4.170 -0.001 0.000 0.288 671 I C 0.290 176.529 176.117 0.203 0.000 1.051 671 I CA -0.391 61.035 61.300 0.209 0.000 1.375 671 I CB 0.923 39.012 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.398 119.041 114.554 0.149 0.000 2.834 672 T HA 0.406 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.399 174.700 0.111 0.000 0.966 672 T CA -0.602 61.567 62.100 0.114 0.000 1.141 672 T CB 0.908 69.820 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.056 121.923 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.707 174.383 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.236 30.006 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.021 119.260 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.789 175.100 175.900 -0.017 0.000 1.045 674 Y CA -0.720 57.355 58.100 -0.042 0.000 1.098 674 Y CB 1.977 40.394 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.338 116.018 115.700 -0.033 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.666 174.600 -0.098 0.000 1.094 675 S CA -0.451 57.691 58.200 -0.096 0.000 0.931 675 S CB 1.852 65.131 63.200 0.130 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.316 113.994 114.554 -0.407 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.326 173.673 174.700 -1.169 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.843 0.000 1.036 676 T CB 1.031 69.639 68.868 -0.433 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.126 109.774 108.800 -1.920 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.511 3.960 -0.001 0.000 0.305 677 G C -1.987 172.223 174.900 -1.149 0.000 1.311 677 G CA -0.668 43.729 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.273 118.186 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.220 176.000 -0.324 0.000 0.972 678 Q CA -0.707 54.811 55.803 -0.475 0.000 0.889 678 Q CB 2.397 30.730 28.738 -0.675 0.000 1.281 678 Q HN 0.787 nan 8.270 nan 0.000 0.456 679 V N 0.289 120.141 119.914 -0.102 0.000 2.709 679 V HA 0.799 4.918 4.120 -0.001 0.000 0.308 679 V C -1.414 174.589 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.268 34.101 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.143 119.759 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.415 173.052 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.709 64.972 63.200 0.105 0.000 1.048 680 S HN 0.853 nan 8.310 nan 0.000 0.483 681 V N 4.374 124.188 119.914 -0.166 0.000 2.524 681 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.589 33.210 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.348 125.500 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.456 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.073 0.000 0.761 682 E CB 1.461 31.098 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.393 123.901 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.238 175.671 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.081 39.809 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.386 125.331 120.200 -0.424 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.384 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.608 56.400 -0.292 0.000 0.796 684 E CB 1.201 30.800 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.882 124.139 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.091 176.466 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.206 30.727 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.350 123.730 120.200 0.301 0.000 2.227 686 E HA 0.463 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.960 176.600 0.578 0.000 1.015 686 E CA -0.399 56.202 56.400 0.336 0.000 0.823 686 E CB 0.772 30.610 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.676 125.177 121.223 0.463 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 0.185 0.000 1.023 687 L CA -0.742 54.344 54.840 0.410 0.000 0.811 687 L CB 1.673 43.907 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.217 122.992 119.800 -0.041 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.819 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.333 0.000 0.887 688 Q CB 1.117 29.416 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.327 122.633 120.400 -0.155 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.491 0.000 1.007 689 K CA -0.088 56.069 56.287 -0.216 0.000 0.941 689 K CB 0.926 33.320 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.216 122.034 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.004 0.000 1.029 690 E CA -0.005 55.606 56.400 -1.314 0.000 0.871 690 E CB 0.446 29.572 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.985 120.983 118.700 -1.170 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.921 173.469 175.510 -0.200 0.000 1.408 691 N CA -0.281 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.960 39.276 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.030 116.638 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.802 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.154 122.609 120.400 0.092 0.000 2.440 693 K HA 0.151 4.471 4.320 -0.001 0.000 0.206 693 K C 0.265 176.948 176.600 0.137 0.000 1.025 693 K CA -0.250 56.094 56.287 0.095 0.000 1.135 693 K CB -0.061 32.494 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.986 121.567 120.500 0.135 0.000 2.502 694 R HA -0.109 4.230 4.340 -0.001 0.000 0.292 694 R C 1.071 177.471 176.300 0.168 0.000 0.998 694 R CA 0.246 56.438 56.100 0.154 0.000 1.056 694 R CB 0.039 30.422 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.812 127.131 121.300 0.031 0.000 2.441 695 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.952 58.310 57.345 0.021 0.000 1.327 695 W CB -0.115 29.355 29.460 0.018 0.000 1.128 695 W HN 0.748 nan 8.180 nan 0.000 0.522 696 N N 1.949 120.763 118.700 0.190 0.000 2.503 696 N HA 0.146 4.886 4.740 -0.001 0.000 0.267 696 N C -2.738 172.779 175.510 0.011 0.000 1.214 696 N CA -1.296 51.804 53.050 0.083 0.000 0.959 696 N CB -0.397 38.186 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.245 177.076 177.300 0.035 0.000 1.200 697 P CA 0.314 63.408 63.100 -0.010 0.000 0.772 697 P CB 0.549 32.241 31.700 -0.014 0.000 0.855 698 E N 1.212 121.442 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.235 176.891 176.600 0.094 0.000 1.051 698 E CA -1.056 55.394 56.400 0.084 0.000 0.902 698 E CB 0.923 30.693 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.954 119.684 120.570 0.113 0.000 2.529 699 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 699 I C -0.348 175.927 176.117 0.264 0.000 1.082 699 I CA -0.363 61.022 61.300 0.143 0.000 1.406 699 I CB 0.534 38.591 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.871 124.830 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.342 174.844 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.669 31.470 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.834 121.088 120.300 -0.077 0.000 2.346 701 Y HA 0.300 4.850 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.787 175.900 0.007 0.000 1.178 701 Y CA 0.850 58.908 58.100 -0.069 0.000 1.331 701 Y CB 0.970 39.166 38.460 -0.439 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.606 117.795 114.554 -0.609 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.223 173.238 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 0.000 1.028 702 T CB 0.844 69.659 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.856 117.504 115.700 -0.088 0.000 2.632 703 S HA 0.408 4.877 4.470 -0.001 0.000 0.271 703 S C 0.053 174.673 174.600 0.034 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.283 63.550 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.714 120.430 118.700 0.027 0.000 2.416 704 N HA 0.073 4.812 4.740 -0.001 0.000 0.265 704 N C 0.608 176.129 175.510 0.018 0.000 1.195 704 N CA -0.155 52.901 53.050 0.011 0.000 0.943 704 N CB 0.184 38.638 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.008 121.308 120.300 -0.000 0.000 2.574 705 Y HA 0.051 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.062 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.408 57.696 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.825 121.155 118.700 -0.616 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA 0.000 52.747 53.050 -0.505 0.000 0.898 706 N CB 0.558 38.788 38.487 -0.428 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.874 121.191 120.400 -0.139 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.221 176.338 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.640 32.500 -0.049 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.745 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.861 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.131 58.200 -0.042 0.000 0.920 708 S CB 1.568 64.745 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.704 122.599 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.141 4.120 -0.001 0.000 0.235 709 V C 0.721 176.799 176.094 -0.026 0.000 1.037 709 V CA 1.385 63.667 62.300 -0.030 0.000 0.991 709 V CB -0.833 30.968 31.823 -0.036 0.000 0.638 709 V HN 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.744 117.935 118.700 -0.034 0.000 2.466 710 N HA 0.478 5.218 4.740 -0.001 0.000 0.294 710 N C -1.030 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.057 40.511 38.487 -0.056 0.000 1.193 710 N HN 0.080 nan 8.380 nan 0.000 0.500 711 V N 1.395 121.308 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.070 176.041 176.094 0.028 0.000 1.051 711 V CA -0.399 61.920 62.300 0.030 0.000 1.010 711 V CB 0.828 32.688 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.253 124.693 120.400 0.068 0.000 2.493 712 D HA 0.183 4.822 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.596 54.638 54.000 0.069 0.000 0.872 712 D CB -0.051 40.875 40.800 0.210 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.148 119.763 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.323 176.150 175.800 0.045 0.000 1.048 713 F CA 0.344 58.288 58.000 -0.093 0.000 1.134 713 F CB -1.764 37.298 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.836 113.682 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.182 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.714 62.100 0.070 0.000 1.007 714 T CB 2.144 71.048 68.868 0.059 0.000 1.335 714 T HN 0.364 nan 8.240 nan 0.000 0.504 715 V N 0.386 120.257 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.824 4.120 -0.001 0.000 0.304 715 V C 0.039 176.085 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.593 62.300 -0.128 0.000 1.064 715 V CB 0.645 32.367 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 1.003 121.357 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.932 4.640 -0.001 0.000 0.268 716 D C 1.421 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.255 54.221 54.000 -0.058 0.000 1.087 716 D CB -0.007 40.752 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.144 112.392 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.106 4.350 -0.001 0.000 0.269 717 T C 0.828 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.668 63.757 62.100 -0.019 0.000 1.142 717 T CB -0.978 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.865 119.553 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.192 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.959 53.050 -0.013 0.000 0.878 718 N CB 0.080 38.559 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.018 108.807 108.800 -0.019 0.000 2.381 719 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G C -0.760 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.133 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.851 122.733 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 720 V C -0.040 176.004 176.094 -0.084 0.000 1.036 720 V CA -1.330 60.942 62.300 -0.047 0.000 0.876 720 V CB 1.518 33.317 31.823 -0.040 0.000 1.012 720 V HN 0.608 nan 8.190 nan 0.000 0.432 721 Y N 4.510 124.667 120.300 -0.238 0.000 2.511 721 Y HA 0.492 5.041 4.550 -0.001 0.000 0.332 721 Y C 0.686 176.487 175.900 -0.165 0.000 1.177 721 Y CA 0.307 58.230 58.100 -0.294 0.000 1.422 721 Y CB 1.059 39.278 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.397 119.587 115.700 -0.850 0.000 2.572 722 S HA 0.442 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.500 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.372 64.346 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.996 122.811 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.605 4.350 -0.001 0.000 0.284 723 E C -1.906 174.289 176.600 -0.675 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.736 0.000 0.817 723 E CB 0.736 30.284 29.700 -0.254 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.011 177.124 177.300 -0.275 0.000 1.162 724 P CA 1.320 64.119 63.100 -0.502 0.000 0.879 724 P CB 0.228 31.633 31.700 -0.490 0.000 0.786 725 R N -2.018 118.363 120.500 -0.199 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.132 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 0.000 0.917 725 R CB 0.431 30.799 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.171 nan 4.420 nan 0.000 0.276 726 P C -0.596 176.832 177.300 0.214 0.000 1.230 726 P CA -0.260 62.867 63.100 0.044 0.000 0.776 726 P CB 0.483 32.178 31.700 -0.009 0.000 0.888 727 I N 2.689 123.407 120.570 0.247 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.747 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.856 38.911 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.629 112.814 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.638 174.900 0.378 0.000 1.460 728 G CA 0.303 45.684 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.616 113.091 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.799 175.638 174.700 0.232 0.000 0.893 729 T CA -0.282 61.915 62.100 0.162 0.000 0.863 729 T CB 0.109 69.039 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.289 121.914 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.168 55.979 56.100 0.077 0.000 1.353 730 R CB 0.199 30.442 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.215 120.542 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.020 58.163 58.100 0.073 0.000 1.263 731 Y CB 0.584 39.099 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.839 122.226 121.223 0.275 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.443 177.388 176.870 0.125 0.000 1.153 732 L CA -0.399 54.612 54.840 0.286 0.000 0.808 732 L CB 0.918 43.300 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.034 114.587 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.514 174.069 174.700 -0.195 0.000 0.999 733 T CA -0.898 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.211 71.108 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.073 122.375 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.885 175.369 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.401 0.000 0.945 734 R CB 1.399 31.074 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.033 119.726 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.137 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.697 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502