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_E 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 2.532 125.373 122.820 0.035 0.000 2.446 218 A HA 0.825 5.145 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 1.691 20.712 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.604 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.700 177.018 176.300 0.031 0.000 1.151 219 D CA 0.220 54.239 54.000 0.031 0.000 1.089 219 D CB 1.415 42.234 40.800 0.032 0.000 1.295 219 D HN 0.670 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 2.526 178.628 176.094 0.014 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.651 31.177 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.753 109.559 108.800 0.011 0.000 3.530 222 G HA2 0.149 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.149 4.108 3.960 -0.001 0.000 0.269 222 G C -0.030 174.878 174.900 0.014 0.000 1.314 222 G CA 0.021 45.127 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.017 118.695 118.700 0.021 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.057 175.476 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.403 39.903 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.543 117.269 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.834 175.480 174.600 0.075 0.000 1.314 224 S CA -0.222 58.020 58.200 0.070 0.000 1.062 224 S CB 0.667 63.911 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.107 116.880 115.700 0.121 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.654 175.300 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.694 62.599 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.170 108.800 0.014 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.900 174.900 -0.166 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 -1.028 117.485 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.011 174.405 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.178 0.000 0.824 227 N CB 2.209 40.519 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.575 123.723 121.300 -0.253 0.000 2.367 228 W HA 0.190 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.026 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.086 29.345 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.321 124.296 119.070 -0.158 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.207 174.995 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.971 30.657 29.762 -0.126 0.000 1.413 229 H HN 0.166 nan 8.280 nan 0.000 0.507 230 C N 4.107 123.408 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.542 174.502 174.990 0.090 0.000 1.093 230 C CA -0.278 58.746 59.018 0.010 0.000 1.463 230 C CB -0.712 27.090 27.740 0.103 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.917 122.345 120.400 0.046 0.000 2.665 231 D HA 0.713 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 0.506 116.209 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.863 172.722 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.559 64.691 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.425 121.165 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.864 174.087 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.485 29.267 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.421 122.740 121.300 0.031 0.000 2.512 234 W HA 0.578 5.237 4.660 -0.001 0.000 0.335 234 W C -0.060 176.476 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.009 30.484 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.296 124.660 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.577 176.870 0.139 0.000 1.222 235 L CA 0.718 55.645 54.840 0.145 0.000 1.028 235 L CB -0.671 41.440 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 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 0.940 175.909 174.900 0.116 0.000 1.033 236 G CA 1.108 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 0.025 120.495 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.100 177.490 176.300 0.150 0.000 1.094 237 D CA 0.938 55.004 54.000 0.110 0.000 0.846 237 D CB 0.248 41.094 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.605 118.991 120.500 0.159 0.000 2.741 238 R HA 0.574 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 1.045 31.411 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.669 121.605 119.914 0.037 0.000 2.760 239 V HA 0.593 4.713 4.120 -0.001 0.000 0.309 239 V C -1.600 174.444 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.219 0.000 0.910 239 V CB 1.938 33.318 31.823 -0.738 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.721 126.193 120.570 -0.163 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.408 176.443 176.117 -0.136 0.000 0.994 240 I CA 0.018 61.267 61.300 -0.085 0.000 1.158 240 I CB 2.052 40.003 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.959 114.554 -0.070 0.000 2.771 241 T HA 0.724 5.073 4.350 -0.001 0.000 0.281 241 T C -0.125 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.634 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.022 69.761 68.868 -0.216 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.447 242 T N 2.442 116.970 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.270 62.100 -0.039 0.000 0.983 242 T CB 1.641 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 1.609 117.266 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.901 173.567 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.574 58.200 -0.119 0.000 0.978 243 S CB 0.971 64.120 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 -0.414 0.000 2.863 244 T HA 0.708 5.057 4.350 -0.001 0.000 0.285 244 T C -0.803 173.536 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.138 69.181 68.868 -1.373 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.014 121.372 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.920 175.566 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.181 0.000 0.906 245 R CB 1.650 32.146 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.712 117.496 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.473 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.160 0.000 1.049 246 T CB 0.639 69.563 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.573 121.802 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.902 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.351 57.345 -0.507 0.000 1.192 247 W CB 1.351 30.500 29.460 -0.519 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.952 125.771 122.820 -0.002 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.550 177.584 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 0.672 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 -1.555 53.386 54.840 0.169 0.000 0.836 249 L CB 2.130 44.315 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 -0.385 62.576 63.100 -0.232 0.000 0.743 250 P CB 0.576 31.972 31.700 -0.508 0.000 1.364 251 T N 0.129 114.493 114.554 -0.318 0.000 2.929 251 T HA 0.356 4.705 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 -0.990 67.644 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.144 122.344 120.300 -0.166 0.000 2.397 252 Y HA 0.124 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 58.066 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 1.731 120.489 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.195 175.307 175.510 -0.015 0.000 1.125 253 N CA 0.806 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 -0.061 118.569 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.574 174.848 175.510 -0.146 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.753 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 4.366 4.556 -0.001 0.000 0.282 255 H C -0.179 175.149 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.341 29.762 -0.360 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 2.242 122.686 120.300 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 58.061 58.100 0.289 0.000 1.201 257 Y CB 0.839 39.536 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.003 123.584 120.400 0.300 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.686 175.999 176.600 0.142 0.000 0.940 258 K CA -1.025 55.373 56.287 0.184 0.000 0.811 258 K CB 1.876 34.430 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.762 124.586 119.800 0.041 0.000 2.296 259 Q HA 0.248 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.306 55.292 55.803 -0.341 0.000 0.905 259 Q CB 0.420 28.981 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.720 120.921 120.570 -0.616 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 -0.670 0.000 1.044 260 I CA -0.714 60.315 61.300 -0.452 0.000 1.064 260 I CB 2.333 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 2.161 117.534 115.700 -0.545 0.000 2.724 261 S HA 0.530 5.000 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 -0.333 57.439 58.200 -0.714 0.000 0.860 261 S CB 0.806 63.893 63.200 -0.189 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.961 116.408 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.059 0.000 1.305 262 S CA -0.580 57.623 58.200 0.006 0.000 1.022 262 S CB 0.555 63.905 63.200 0.250 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.584 121.431 119.800 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 0.452 29.206 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.094 118.824 115.700 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 62.286 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.858 110.721 108.800 0.105 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.016 0.000 1.082 265 G CA 0.085 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.206 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.085 4.320 -0.001 0.000 0.211 266 A C 1.314 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.884 52.037 -0.055 0.000 0.657 266 A CB 0.490 19.465 19.000 -0.042 0.000 0.852 266 A HN 1.502 nan 8.150 nan 0.000 0.454 267 S N -2.507 113.065 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.198 174.512 174.600 -0.476 0.000 1.150 267 S CA -0.315 57.727 58.200 -0.263 0.000 0.850 267 S CB 1.306 64.369 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.818 119.373 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.515 175.510 0.040 0.000 1.034 268 N CA 0.299 53.318 53.050 -0.052 0.000 0.885 268 N CB 0.062 38.604 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.620 54.647 54.000 0.045 0.000 0.892 269 D CB -0.251 40.591 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.589 118.072 118.700 -0.065 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.022 175.524 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.313 120.468 119.070 0.141 0.000 2.928 271 H HA 0.026 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.652 56.820 56.048 0.201 0.000 1.435 271 H CB 0.173 30.000 29.762 0.108 0.000 1.428 271 H HN 0.291 nan 8.280 nan 0.000 0.590 272 Y N 1.388 121.811 120.300 0.206 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.378 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.514 40.022 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.146 121.026 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.358 175.800 -0.150 0.000 1.116 273 F CA 0.002 57.846 58.000 -0.261 0.000 0.957 273 F CB 2.087 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.809 111.042 108.800 -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 -2.439 171.802 174.900 -1.098 0.000 1.242 274 G CA -0.599 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 -0.891 119.021 120.300 -0.646 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 2.658 41.010 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.097 116.829 115.700 0.053 0.000 2.552 276 S HA 0.596 5.065 4.470 -0.001 0.000 0.314 276 S C -0.714 173.933 174.600 0.078 0.000 1.099 276 S CA -0.571 57.638 58.200 0.016 0.000 1.070 276 S CB 0.324 63.518 63.200 -0.009 0.000 0.998 276 S HN 0.702 nan 8.310 nan 0.000 0.474 277 T N 2.337 116.926 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.536 172.142 174.700 -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 70.422 68.868 0.253 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.195 nan 4.420 nan 0.000 0.249 278 P C -0.863 176.429 177.300 -0.013 0.000 1.241 278 P CA -0.121 62.950 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.447 31.700 -0.126 0.000 1.088 279 W N 0.424 121.733 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.579 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.985 30.468 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.131 110.059 108.800 0.214 0.000 2.557 280 G HA2 0.696 4.655 3.960 -0.001 0.000 0.302 280 G HA3 0.696 4.655 3.960 -0.001 0.000 0.302 280 G C -1.866 173.082 174.900 0.080 0.000 1.311 280 G CA -0.621 44.509 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.090 117.076 120.300 -0.223 0.000 2.604 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.331 281 Y C -1.831 173.890 175.900 -0.298 0.000 1.158 281 Y CA -2.088 55.864 58.100 -0.247 0.000 1.056 281 Y CB 0.948 39.279 38.460 -0.215 0.000 1.330 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.958 121.900 119.950 -0.014 0.000 2.404 282 F HA 0.502 5.029 4.527 -0.001 0.000 0.339 282 F C -0.167 175.673 175.800 0.068 0.000 1.105 282 F CA 0.001 58.030 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 0.215 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 1.155 41.978 40.800 0.039 0.000 1.530 283 D HN 0.292 nan 8.370 nan 0.000 0.493 284 F N 1.060 121.105 119.950 0.159 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.247 176.126 175.800 0.132 0.000 1.371 284 F CA -0.825 57.255 58.000 0.132 0.000 1.123 284 F CB -0.919 38.236 39.000 0.258 0.000 1.207 284 F HN 0.274 nan 8.300 nan 0.000 0.512 285 N N 1.314 119.856 118.700 -0.263 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 -0.344 0.000 1.170 285 N CA -0.096 52.563 53.050 -0.652 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.540 119.858 120.500 -0.169 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.076 176.305 176.300 -0.117 0.000 0.963 286 R CA -0.644 55.319 56.100 -0.229 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.475 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.907 120.874 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.253 178.155 175.800 0.169 0.000 1.090 287 F CA 1.623 59.754 58.000 0.218 0.000 1.293 287 F CB -0.066 38.912 39.000 -0.037 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.947 116.243 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.680 177.050 175.328 0.071 0.000 1.005 288 H CA 0.407 56.519 56.048 0.107 0.000 1.171 288 H CB -1.451 28.337 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.542 119.793 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.458 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 0.847 59.702 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.804 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.920 116.248 119.070 0.164 0.000 2.545 290 H HA 0.224 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.213 175.328 -0.125 0.000 0.934 290 H CA 0.153 56.211 56.048 0.016 0.000 1.116 290 H CB -0.113 29.680 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.500 123.604 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.992 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.081 40.261 39.000 0.300 0.000 1.120 291 F HN -0.018 nan 8.300 nan 0.000 0.493 292 S N 3.943 119.798 115.700 0.257 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.859 172.846 174.600 0.175 0.000 1.346 292 S CA -1.013 57.297 58.200 0.184 0.000 1.018 292 S CB 1.214 64.502 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.023 0.000 1.157 293 P CA 1.217 64.218 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.405 31.700 -0.395 0.000 0.790 294 R N 0.398 120.929 120.500 0.052 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 1.999 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 -0.614 119.935 120.400 0.248 0.000 2.097 295 D HA -0.220 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 1.204 55.472 54.000 0.447 0.000 0.827 295 D CB -0.614 40.514 40.800 0.547 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.043 123.374 121.300 0.051 0.000 2.325 296 W HA -0.242 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 1.452 58.667 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 0.319 120.069 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.388 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.829 57.519 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 0.159 120.543 120.500 -0.194 0.000 2.081 298 R HA -0.125 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 1.343 57.223 56.100 -0.366 0.000 0.960 298 R CB -0.481 29.415 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.786 121.884 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.147 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.277 55.985 54.840 -0.221 0.000 0.746 299 L CB -0.197 41.562 42.059 -0.500 0.000 0.890 299 L HN 0.133 nan 8.230 nan 0.000 0.432 300 I N 0.629 120.866 120.570 -0.555 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.795 177.779 176.117 -0.221 0.000 1.097 300 I CA 1.462 62.480 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 0.937 119.508 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.870 176.346 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.235 118.420 118.700 -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 -0.046 0.000 1.310 302 N CA -0.052 52.948 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.311 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.219 118.513 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.999 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.251 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.997 123.285 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.530 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.229 57.548 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 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.609 107.382 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 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 -0.572 44.743 45.100 0.359 0.000 0.813 305 G HN 0.129 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 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.889 175.311 175.800 0.665 0.000 1.162 306 F CA -1.135 57.312 58.000 0.746 0.000 0.910 306 F CB 1.435 40.677 39.000 0.402 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.031 120.793 120.500 0.540 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 -0.052 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 -0.538 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 -0.766 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.219 31.589 31.700 -2.216 0.000 1.035 309 K N 0.530 120.530 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.021 0.000 1.340 309 K CA 0.805 56.938 56.287 -0.257 0.000 0.880 309 K CB 0.285 32.669 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.222 120.582 120.400 -0.067 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.340 175.292 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.016 0.000 0.863 310 K CB 1.982 34.416 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.287 120.939 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.986 176.870 -0.056 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 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 4.503 120.178 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.244 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.011 64.153 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 -0.279 175.591 175.800 0.117 0.000 1.103 313 F CA -0.489 57.570 58.000 0.098 0.000 0.979 313 F CB 0.985 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 7.281 127.308 120.400 -0.622 0.000 2.535 314 K HA 0.533 4.853 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 34.043 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.872 127.163 121.223 0.113 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.383 176.870 0.425 0.000 1.006 315 L CA -0.874 54.053 54.840 0.145 0.000 0.817 315 L CB 0.988 43.120 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.634 119.419 119.950 0.173 0.000 2.877 316 F HA 0.367 4.894 4.527 -0.001 0.000 0.319 316 F C -0.164 175.706 175.800 0.116 0.000 1.174 316 F CA -1.469 56.609 58.000 0.129 0.000 0.903 316 F CB 1.077 40.120 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.581 119.435 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.103 0.000 0.742 317 N CB -1.068 37.484 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 4.264 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 0.116 61.413 61.300 -0.005 0.000 1.383 318 I CB 0.898 38.973 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.431 125.147 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.849 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 3.138 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.392 nan 8.270 nan 0.000 0.438 320 V N 3.336 123.157 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.324 175.623 176.094 -0.245 0.000 1.021 320 V CA -0.634 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.161 32.928 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.200 124.334 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.349 176.116 176.600 -0.224 0.000 0.951 321 K CA -0.604 55.445 56.287 -0.395 0.000 0.826 321 K CB 2.524 34.640 32.500 -0.639 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.284 120.451 120.200 -0.055 0.000 2.183 322 E HA 0.495 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 31.697 29.700 0.029 0.000 1.140 322 E HN 0.135 nan 8.360 nan 0.000 0.402 323 V N 2.328 122.309 119.914 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 0.100 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.809 117.389 114.554 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 1.574 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.952 122.762 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.860 176.866 176.000 0.010 0.000 1.109 325 Q CA -0.484 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 1.138 119.844 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.098 175.611 175.510 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 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.627 118.775 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.479 40.321 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.194 108.606 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 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 -0.325 174.375 174.700 -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 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.221 116.773 114.554 -0.002 0.000 2.738 330 T HA 0.534 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 0.265 69.129 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 1.999 116.562 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.002 174.723 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.501 69.379 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.169 122.763 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.161 176.301 176.117 0.039 0.000 0.999 332 I CA -1.037 60.302 61.300 0.065 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 5.328 128.163 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.893 176.678 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.343 20.347 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.979 120.662 118.700 -0.028 0.000 2.470 334 N HA 0.126 4.866 4.740 -0.001 0.000 0.268 334 N C -0.980 174.510 175.510 -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 0.900 176.394 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.028 0.000 0.920 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.986 122.198 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.987 178.855 176.870 -0.004 0.000 1.095 336 L CA 1.282 56.115 54.840 -0.012 0.000 0.770 336 L CB -0.455 41.600 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.377 110.177 114.554 -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 62.043 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 1.950 117.648 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.417 175.017 174.600 0.001 0.000 1.305 338 S CA -0.421 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.703 63.894 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.229 114.783 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.568 174.139 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.328 70.207 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.152 120.085 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.792 174.325 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.404 34.273 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 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.452 174.669 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.560 31.382 28.738 0.140 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.367 123.379 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.412 176.094 0.063 0.000 1.072 342 V CA -0.830 61.449 62.300 -0.036 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 0.325 120.125 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 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 0.684 115.095 114.554 -0.237 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.531 172.995 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.908 69.370 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.379 123.519 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 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 0.110 53.925 54.000 -0.309 0.000 1.028 345 D CB 0.063 40.646 40.800 -0.360 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 4.478 4.470 -0.001 0.000 0.220 346 S C 1.249 175.563 174.600 -0.477 0.000 0.997 346 S CA 0.063 58.034 58.200 -0.383 0.000 0.919 346 S CB 0.231 63.376 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.295 120.331 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.736 176.600 0.039 0.000 1.039 347 E CA -0.319 56.034 56.400 -0.078 0.000 0.881 347 E CB 0.056 29.764 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.517 120.833 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.935 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.418 36.029 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.600 4.340 -0.001 0.000 0.209 349 Q C 0.373 176.292 176.000 -0.135 0.000 0.906 349 Q CA 0.182 56.016 55.803 0.051 0.000 0.927 349 Q CB 0.593 29.433 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.872 122.979 121.223 -0.193 0.000 2.325 350 L HA 0.383 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.261 0.000 1.054 350 L CA -2.422 52.167 54.840 -0.418 0.000 0.804 350 L CB 0.967 42.755 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.165 63.218 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 4.148 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.288 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.366 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 7.061 126.804 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.247 4.120 -0.001 0.000 0.279 353 V C 0.525 176.434 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.610 31.019 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.245 120.626 121.223 -0.587 0.000 2.488 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.346 176.870 -0.157 0.000 1.151 354 L CA 0.300 54.890 54.840 -0.416 0.000 0.806 354 L CB -0.077 41.613 42.059 -0.616 0.000 1.261 354 L HN 0.283 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 0.523 45.581 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.498 115.200 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.484 175.939 174.600 -0.241 0.000 1.031 356 S CA 0.983 59.135 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.145 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 0.421 177.950 177.584 -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 16.683 19.000 -0.064 0.000 1.057 357 A HN 0.667 nan 8.150 nan 0.000 0.673 358 H N -0.116 118.956 119.070 0.004 0.000 2.767 358 H HA 0.251 4.807 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 0.931 56.993 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 -1.193 118.725 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.542 176.599 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.647 55.803 0.126 0.000 0.919 359 Q CB 1.630 30.431 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.421 108.426 108.800 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 0.250 119.539 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.073 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.651 58.313 59.018 -0.091 0.000 2.260 361 C CB -0.017 27.704 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.384 123.425 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.724 176.870 -0.115 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.435 0.000 0.855 362 L CB -0.098 41.821 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.000 175.383 177.300 0.138 0.000 1.182 363 P CA -0.855 62.308 63.100 0.105 0.000 0.761 363 P CB 0.183 31.980 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.515 177.300 0.004 0.000 1.150 364 P CA 1.249 64.411 63.100 0.105 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.095 0.000 0.787 365 F N -0.203 119.589 119.950 -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 -3.002 54.773 58.000 -0.375 0.000 1.135 365 F CB 1.052 39.745 39.000 -0.511 0.000 1.120 365 F HN -0.111 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 1.000 178.273 177.300 -0.045 0.000 1.148 366 P CA 1.751 64.761 63.100 -0.151 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.032 121.616 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.656 178.349 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.004 0.000 0.692 367 A CB -0.940 18.115 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.165 120.718 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.189 176.274 176.300 0.272 0.000 1.161 368 D CA 0.142 54.300 54.000 0.263 0.000 0.876 368 D CB 1.382 42.350 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.273 123.328 119.914 0.235 0.000 2.686 369 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 369 V C 0.092 176.372 176.094 0.309 0.000 1.057 369 V CA -0.483 61.964 62.300 0.246 0.000 1.012 369 V CB 0.504 32.398 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.522 122.561 119.950 0.149 0.000 2.593 370 F HA 0.777 5.303 4.527 -0.001 0.000 0.320 370 F C -0.458 175.423 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.942 41.028 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.278 122.918 119.600 0.066 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 -0.039 0.000 1.075 371 M CB 1.538 34.165 32.600 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.364 127.201 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.369 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 -1.267 60.924 62.300 -0.181 0.000 1.016 372 V CB 0.455 32.031 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 -0.575 176.425 177.300 -0.500 0.000 1.215 373 P CA -0.144 62.707 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 1.276 120.757 119.800 -0.533 0.000 2.230 374 Q HA 0.239 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.314 174.698 176.000 0.019 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.650 0.000 0.900 374 Q CB 0.496 28.484 28.738 -1.249 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.466 121.766 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.296 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.031 0.000 1.165 375 Y CB 1.223 39.709 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.066 113.502 108.800 -0.607 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 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 -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.066 119.032 120.300 -0.336 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.178 174.734 175.900 0.020 0.000 1.089 377 Y CA -1.694 56.296 58.100 -0.184 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 2.010 123.368 121.223 0.224 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.608 54.361 54.840 0.214 0.000 0.816 378 L CB 2.405 44.586 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.345 115.103 114.554 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 -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.884 70.034 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.975 124.357 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.577 176.383 176.870 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 1.284 120.050 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.377 174.139 175.510 0.009 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.944 39.504 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.104 119.765 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.635 176.066 175.510 -0.133 0.000 1.076 382 N CA 0.986 53.995 53.050 -0.069 0.000 0.902 382 N CB 0.046 38.488 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.334 111.049 108.800 -0.142 0.000 2.523 383 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.340 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 0.519 45.365 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.257 115.712 115.700 -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 1.303 59.444 58.200 -0.099 0.000 0.914 384 S CB 0.233 63.426 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.584 120.257 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.391 176.000 -0.484 0.000 0.999 385 Q CA -0.411 55.204 55.803 -0.313 0.000 0.959 385 Q CB 1.169 29.770 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.363 122.775 122.820 -0.681 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 -0.465 119.345 119.914 -0.173 0.000 3.406 387 V HA 0.530 4.650 4.120 -0.001 0.000 0.305 387 V C 1.771 177.834 176.094 -0.052 0.000 1.136 387 V CA 0.315 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.252 33.059 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.429 108.357 108.800 -0.024 0.000 2.464 388 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.068 174.900 0.019 0.000 1.138 388 G CA -0.018 45.079 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.900 121.418 120.500 0.031 0.000 2.363 389 R HA 0.214 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 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.362 116.119 115.700 0.095 0.000 2.584 390 S HA 0.219 4.688 4.470 -0.001 0.000 0.273 390 S C 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.282 58.019 58.200 0.168 0.000 1.034 390 S CB 1.711 65.039 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.318 118.123 115.700 0.174 0.000 2.437 391 S HA 0.517 4.986 4.470 -0.001 0.000 0.305 391 S C -0.918 173.628 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.065 0.000 1.099 391 S CB 0.476 63.565 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.041 123.745 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.484 174.000 175.800 -0.526 0.000 1.120 392 F CA -1.459 56.294 58.000 -0.411 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 0.402 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.072 175.454 175.900 -0.624 0.000 0.958 393 Y CA -0.857 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.409 39.676 38.460 -0.320 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.784 124.814 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.992 176.049 174.990 0.112 0.000 1.275 394 C CA -0.577 58.222 59.018 -0.366 0.000 1.811 394 C CB -0.802 26.668 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.407 125.756 121.223 0.209 0.000 2.554 395 L HA 0.150 4.490 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.092 0.000 1.137 395 L CA 1.256 56.082 54.840 -0.023 0.000 0.863 395 L CB -0.437 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 -1.551 118.850 120.200 0.335 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.158 177.871 176.600 0.189 0.000 1.029 396 E CA 0.499 57.095 56.400 0.327 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 -0.136 120.157 120.300 -0.011 0.000 2.495 397 Y HA 0.119 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.393 175.275 175.900 -0.385 0.000 1.186 397 Y CA -0.318 57.679 58.100 -0.172 0.000 1.266 397 Y CB -0.004 38.320 38.460 -0.225 0.000 1.101 397 Y HN -0.228 nan 8.280 nan 0.000 0.517 398 F N 0.997 120.698 119.950 -0.414 0.000 2.495 398 F HA 0.433 4.959 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 -3.139 54.471 58.000 -0.650 0.000 0.949 398 F CB 0.903 39.169 39.000 -1.223 0.000 1.142 398 F HN -0.059 nan 8.300 nan 0.000 0.457 399 P HA 0.161 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 -0.051 62.956 63.100 -0.156 0.000 0.763 399 P CB 0.566 32.198 31.700 -0.114 0.000 0.806 400 S N 1.700 117.396 115.700 -0.007 0.000 2.548 400 S HA 0.397 4.866 4.470 -0.001 0.000 0.286 400 S C -0.827 173.876 174.600 0.172 0.000 1.098 400 S CA -1.037 57.248 58.200 0.142 0.000 0.930 400 S CB 1.619 64.978 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.872 121.805 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.958 175.149 176.000 0.177 0.000 0.957 401 Q CA -0.169 55.761 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 4.487 124.170 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.221 175.146 176.300 0.111 0.000 1.171 402 M CA -0.716 54.651 55.300 0.111 0.000 1.069 402 M CB 0.950 33.599 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.850 124.137 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.137 176.786 176.870 0.088 0.000 0.998 403 L CA -0.336 54.574 54.840 0.115 0.000 0.820 403 L CB 1.703 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 -0.033 120.513 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.470 175.867 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.957 31.283 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.628 115.206 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.809 175.538 174.700 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 3.712 112.553 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 406 G C 0.210 175.161 174.900 0.084 0.000 0.994 406 G CA -0.678 44.463 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.727 120.485 118.700 0.097 0.000 2.445 407 N HA 0.563 5.302 4.740 -0.001 0.000 0.264 407 N C 0.110 175.717 175.510 0.162 0.000 1.227 407 N CA 0.392 53.512 53.050 0.117 0.000 0.963 407 N CB 0.886 39.444 38.487 0.118 0.000 1.188 407 N HN 0.761 nan 8.380 nan 0.000 0.491 408 N N -0.677 118.132 118.700 0.182 0.000 2.934 408 N HA 0.384 5.123 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 -0.562 52.634 53.050 0.243 0.000 0.858 408 N CB 1.293 39.907 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.123 120.161 119.950 0.146 0.000 2.529 409 F HA 0.522 5.048 4.527 -0.001 0.000 0.320 409 F C -0.742 175.147 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.040 41.138 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.091 124.532 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.015 4.340 -0.001 0.000 0.271 410 Q C -2.047 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.642 54.954 55.803 -0.345 0.000 0.820 410 Q CB 2.129 30.748 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.659 120.472 119.950 -0.230 0.000 2.669 411 F HA 0.582 5.109 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 1.496 40.536 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.597 119.802 115.700 -0.824 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.794 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.631 0.000 0.950 412 S CB 1.991 64.987 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.987 120.897 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.107 174.551 175.900 -0.403 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.785 39.920 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.536 120.376 114.554 -1.190 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.204 174.700 -1.126 0.000 1.000 414 T CA -0.403 61.192 62.100 -0.843 0.000 0.958 414 T CB 0.093 68.674 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.593 122.148 119.950 -0.658 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 -0.306 0.000 1.178 415 F CA -0.459 57.314 58.000 -0.378 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 -0.152 120.047 120.200 -0.001 0.000 2.359 416 E HA 0.229 4.578 4.350 -0.001 0.000 0.255 416 E C -1.314 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.379 30.080 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 -0.048 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 0.200 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.984 41.756 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.420 124.291 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.565 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.917 62.300 0.001 0.000 0.872 418 V CB 2.052 33.925 31.823 0.083 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 0.155 0.000 1.186 419 P CA 0.331 63.480 63.100 0.080 0.000 0.767 419 P CB 0.101 31.855 31.700 0.090 0.000 0.820 420 F N 0.824 120.872 119.950 0.164 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.785 177.667 175.800 0.136 0.000 1.147 420 F CA 0.483 58.594 58.000 0.186 0.000 1.341 420 F CB -0.056 39.030 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.886 120.027 119.070 0.119 0.000 2.679 421 H HA 0.200 4.755 4.556 -0.001 0.000 0.369 421 H C -0.367 174.964 175.328 0.006 0.000 1.178 421 H CA -0.439 55.522 56.048 -0.145 0.000 1.419 421 H CB 0.690 30.134 29.762 -0.531 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.425 117.558 115.700 -0.944 0.000 2.416 422 S HA 0.083 4.553 4.470 -0.001 0.000 0.302 422 S C 0.126 174.419 174.600 -0.511 0.000 1.120 422 S CA -0.399 57.418 58.200 -0.638 0.000 1.067 422 S CB 0.298 62.959 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.953 118.664 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.181 174.498 174.600 0.131 0.000 1.009 423 S CA -0.553 57.732 58.200 0.141 0.000 1.052 423 S CB -0.509 62.862 63.200 0.285 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 1.085 123.752 122.820 -0.256 0.000 2.414 425 A HA 0.540 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 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.804 120.851 119.070 -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 1.001 57.048 56.048 -0.001 0.000 1.444 426 H CB 1.347 31.103 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.209 117.979 115.700 0.118 0.000 2.558 427 S HA 0.039 4.508 4.470 -0.001 0.000 0.217 427 S C 0.581 175.222 174.600 0.069 0.000 0.975 427 S CA -0.087 58.159 58.200 0.076 0.000 0.912 427 S CB 0.486 63.727 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.382 120.229 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.134 174.883 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.906 30.660 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.371 115.334 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.280 174.600 -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 2.300 123.514 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.920 178.808 176.870 0.030 0.000 1.085 430 L CA 2.066 56.915 54.840 0.015 0.000 0.760 430 L CB -0.225 41.849 42.059 0.025 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 0.882 177.175 176.300 -0.011 0.000 1.010 431 D CA 0.133 54.128 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.816 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 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.556 176.859 176.300 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 0.481 121.709 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.349 177.229 176.870 0.017 0.000 1.064 433 L CA 0.853 55.707 54.840 0.023 0.000 0.873 433 L CB 0.140 42.230 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 54.922 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 0.766 119.458 118.700 -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 -1.704 51.341 53.050 -0.008 0.000 0.952 435 N CB 0.705 39.188 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 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 0.643 63.739 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.126 119.094 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 437 L C 1.021 177.889 176.870 -0.003 0.000 1.071 437 L CA 0.683 55.521 54.840 -0.003 0.000 0.850 437 L CB -0.283 41.775 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.680 119.886 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.290 39.290 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.945 123.334 120.400 -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 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.132 119.862 119.800 -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 -0.217 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.464 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 -2.013 118.252 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.706 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.378 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 0.979 122.157 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.089 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.044 53.825 54.840 0.049 0.000 0.803 442 L CB 1.090 43.127 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.399 120.741 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.575 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.513 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 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.439 120.888 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.629 174.482 175.900 0.351 0.000 1.029 444 Y CA -1.867 56.372 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 3.255 124.729 121.223 0.419 0.000 2.257 445 L HA 0.410 4.750 4.340 -0.001 0.000 0.290 445 L C -0.033 176.916 176.870 0.132 0.000 1.044 445 L CA -0.078 54.846 54.840 0.139 0.000 0.810 445 L CB 0.587 42.700 42.059 0.089 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.575 121.278 118.700 0.005 0.000 2.210 446 N HA 0.163 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 52.453 53.050 0.101 0.000 0.894 446 N CB 0.583 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 1.052 121.491 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.073 176.288 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.487 31.726 30.300 -0.101 0.000 1.176 447 R HN 0.237 nan 8.270 nan 0.000 0.447 448 T N -1.543 112.957 114.554 -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 0.492 62.540 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 0.589 nan 8.240 nan 0.000 0.467 449 Q N 1.066 120.835 119.800 -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 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.742 110.522 108.800 -0.034 0.000 2.151 450 G HA2 0.271 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.271 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 0.856 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 451 T C 0.669 175.359 174.700 -0.017 0.000 0.851 451 T CA -0.578 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 0.185 nan 8.240 nan 0.000 0.514 452 T N 2.852 117.397 114.554 -0.015 0.000 3.826 452 T HA 0.122 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 0.146 62.239 62.100 -0.011 0.000 1.171 452 T CB -0.647 68.216 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.620 118.314 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.245 175.840 174.600 -0.007 0.000 1.263 453 S CA -0.158 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.645 62.549 63.200 -0.009 0.000 1.611 453 S HN 0.812 nan 8.310 nan 0.000 0.483 454 G N 2.011 110.807 108.800 -0.007 0.000 2.449 454 G HA2 0.294 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.294 4.253 3.960 -0.001 0.000 0.192 454 G C -0.223 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.578 116.129 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.288 174.984 174.700 -0.006 0.000 0.995 455 T CA 0.560 62.657 62.100 -0.005 0.000 1.009 455 T CB 1.251 70.116 68.868 -0.004 0.000 0.955 455 T HN 0.511 nan 8.240 nan 0.000 0.452 456 T N 3.269 117.820 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.238 67.627 68.868 -0.005 0.000 1.875 456 T HN 0.618 nan 8.240 nan 0.000 0.802 457 N N 1.680 120.375 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.424 176.927 175.510 -0.012 0.000 1.221 457 N CA -0.458 52.585 53.050 -0.011 0.000 0.847 457 N CB 1.287 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 0.276 120.068 119.800 -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 0.843 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 -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.786 5.256 4.470 -0.001 0.000 0.270 459 S C -1.019 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.007 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.082 66.267 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 -0.770 55.295 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 5.135 126.284 121.223 -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 -0.415 0.000 1.051 461 L CA -0.433 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.850 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 3.666 124.560 121.223 -0.549 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.645 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.969 43.909 42.059 -0.198 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 5.044 4.527 -0.001 0.000 0.322 463 F C 0.316 176.067 175.800 -0.081 0.000 1.103 463 F CA -0.527 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.230 41.205 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.570 117.162 115.700 -0.179 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.825 173.511 174.600 -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 2.383 121.964 119.800 -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 -0.202 0.000 0.941 465 Q CA -0.708 54.651 55.803 -0.740 0.000 0.912 465 Q CB 0.789 28.970 28.738 -0.929 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.162 125.958 122.820 -0.041 0.000 2.565 466 A HA 0.459 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 0.765 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 -1.166 43.933 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 1.577 178.870 177.300 -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 1.331 177.331 176.000 -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 0.336 116.041 115.700 0.009 0.000 3.864 470 S HA 0.130 4.600 4.470 -0.001 0.000 0.202 470 S C 0.993 175.544 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.984 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 2.110 121.672 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 471 M C 1.634 177.881 176.300 -0.090 0.000 1.068 471 M CA 1.348 56.607 55.300 -0.067 0.000 1.118 471 M CB -0.040 32.535 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.142 114.497 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.342 174.600 -0.162 0.000 0.982 472 S CA -0.545 57.590 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 0.544 nan 8.310 nan 0.000 0.464 473 L N -0.227 120.848 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.635 177.221 176.870 -0.474 0.000 1.119 473 L CA -0.229 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.265 nan 8.230 nan 0.000 0.534 474 Q N 1.350 120.961 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.507 176.409 176.000 -0.164 0.000 1.059 474 Q CA -0.095 55.578 55.803 -0.218 0.000 0.923 474 Q CB 0.839 29.489 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.079 124.826 122.820 -0.122 0.000 2.531 475 A HA 0.155 4.475 4.320 -0.001 0.000 0.236 475 A C 0.036 177.545 177.584 -0.124 0.000 1.062 475 A CA 0.263 52.238 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.229 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.323 120.750 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.348 176.510 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.142 0.000 0.982 476 R CB 1.043 31.288 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.449 118.029 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.967 173.995 175.510 -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 0.165 121.468 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.610 175.926 176.519 0.027 0.000 1.198 478 W CA -0.816 56.540 57.345 0.019 0.000 1.148 478 W CB 0.832 30.296 29.460 0.007 0.000 1.451 478 W HN -0.355 nan 8.180 nan 0.000 0.564 479 L N 1.943 123.359 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.580 42.770 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.443 32.179 31.700 0.061 0.000 1.074 481 G N 0.594 109.539 108.800 0.242 0.000 2.683 481 G HA2 0.301 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.301 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 -0.930 44.275 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 -0.040 177.201 177.300 -0.100 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.831 32.316 31.700 -0.358 0.000 1.048 483 C N -0.815 118.414 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.154 4.460 -0.001 0.000 0.317 483 C C -1.678 173.346 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.697 28.503 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.923 122.193 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.416 176.309 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.878 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.693 124.106 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.872 176.300 -0.076 0.000 0.953 485 R CA 0.787 56.831 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.731 30.300 -0.120 0.000 0.901 485 R HN 0.614 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 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.709 175.250 176.000 -0.068 0.000 1.014 486 Q CA -0.857 54.913 55.803 -0.054 0.000 0.885 486 Q CB 1.624 30.316 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.140 120.896 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.815 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.162 55.947 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 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 0.446 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.096 176.300 -0.030 0.000 1.053 488 R CA -0.448 55.617 56.100 -0.058 0.000 0.957 488 R CB 0.357 30.600 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.775 122.887 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.251 176.514 176.870 -0.175 0.000 1.009 489 L CA -0.184 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.098 115.764 115.700 -0.056 0.000 2.537 490 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 490 S C 0.742 175.341 174.600 -0.001 0.000 1.092 490 S CA -0.570 57.522 58.200 -0.181 0.000 1.048 490 S CB 1.108 64.142 63.200 -0.276 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.111 121.516 120.400 0.008 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.802 176.600 0.013 0.000 1.048 491 K CA 0.730 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 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 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 -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.297 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.768 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 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 -0.085 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 4.707 4.740 -0.001 0.000 0.228 494 N C -0.517 175.015 175.510 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 0.851 121.276 120.400 0.041 0.000 2.323 495 D HA 0.093 4.732 4.640 -0.001 0.000 0.209 495 D C 0.094 176.444 176.300 0.083 0.000 0.973 495 D CA 0.536 54.575 54.000 0.066 0.000 0.874 495 D CB 0.052 40.899 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.057 119.809 118.700 0.087 0.000 2.463 496 N HA 0.034 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.614 175.510 0.061 0.000 1.205 496 N CA -0.333 52.781 53.050 0.106 0.000 0.974 496 N CB 0.444 39.042 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.752 119.450 118.700 -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 53.291 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.471 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.636 120.351 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.706 175.510 0.068 0.000 1.291 498 N CA -0.277 52.806 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 0.035 115.809 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.772 174.023 174.600 0.324 0.000 1.138 499 S CA -1.076 57.223 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.741 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.601 175.063 175.510 0.258 0.000 1.027 500 N CA -1.036 52.141 53.050 0.212 0.000 0.920 500 N CB -0.286 38.267 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.157 121.149 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.840 174.023 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.664 39.687 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.185 177.300 0.178 0.000 1.197 502 P CA 1.109 64.162 63.100 -0.077 0.000 0.765 502 P CB -0.053 31.614 31.700 -0.056 0.000 0.936 503 W N -0.284 121.022 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.911 177.465 176.519 0.057 0.000 1.098 503 W CA 0.846 58.206 57.345 0.025 0.000 1.657 503 W CB -0.119 29.341 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.481 114.133 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.048 174.700 -0.008 0.000 1.111 504 T CA 1.130 63.227 62.100 -0.005 0.000 1.118 504 T CB 0.042 68.986 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.232 123.106 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.998 178.647 177.584 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 -0.007 122.849 122.820 0.060 0.000 2.279 506 A HA 0.670 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 0.380 19.524 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.793 116.584 115.700 0.152 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.220 58.099 58.200 0.198 0.000 1.054 507 S CB 0.172 63.552 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.142 121.647 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.038 0.000 0.895 508 K CB 1.159 33.525 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.673 118.652 120.300 0.040 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.096 174.878 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.058 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.953 121.177 119.070 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 -1.049 55.091 56.048 0.153 0.000 1.276 510 H CB 1.572 31.378 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.175 125.483 121.223 0.141 0.000 2.305 511 L HA 0.184 4.524 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.646 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 0.865 nan 8.230 nan 0.000 0.417 512 N N 3.173 121.923 118.700 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 1.114 54.240 53.050 0.125 0.000 0.696 512 N CB -0.767 37.783 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.004 109.017 108.800 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 -0.106 174.929 174.900 0.224 0.000 1.047 513 G CA 0.594 45.874 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.065 120.500 0.278 0.000 2.507 514 R HA 0.279 4.619 4.340 -0.001 0.000 0.298 514 R C -1.117 175.294 176.300 0.185 0.000 1.087 514 R CA -0.835 55.384 56.100 0.198 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 0.096 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.726 176.300 0.054 0.000 1.166 515 D CA 0.808 54.875 54.000 0.112 0.000 0.881 515 D CB 1.542 42.434 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.633 117.156 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.376 173.954 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.813 64.574 63.200 -0.732 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.052 125.184 121.223 -0.152 0.000 2.418 517 L HA 0.308 4.647 4.340 -0.001 0.000 0.274 517 L C -0.241 176.573 176.870 -0.093 0.000 1.135 517 L CA 0.178 54.942 54.840 -0.127 0.000 0.870 517 L CB 0.530 42.534 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.864 126.791 119.914 0.022 0.000 2.054 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.243 518 V C 1.368 177.556 176.094 0.156 0.000 1.480 518 V CA 0.120 62.515 62.300 0.159 0.000 1.440 518 V CB -0.958 30.982 31.823 0.194 0.000 1.489 518 V HN 0.914 nan 8.190 nan 0.000 0.502 519 N N 5.273 123.986 118.700 0.022 0.000 2.030 519 N HA -0.026 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 1.073 54.148 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 -0.454 176.922 177.300 0.127 0.000 1.340 520 P CA -0.347 62.842 63.100 0.147 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.838 113.719 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.376 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.376 3.960 -0.001 0.000 0.269 521 G C -2.418 172.519 174.900 0.061 0.000 1.416 521 G CA -1.670 43.481 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.215 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.172 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.983 31.700 -0.061 0.000 0.858 523 A N 3.468 126.315 122.820 0.045 0.000 2.496 523 A HA 0.307 4.627 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 52.599 52.037 0.088 0.000 0.805 523 A CB -1.036 18.045 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.247 121.895 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.267 176.609 176.300 0.070 0.000 1.175 524 M CA -0.434 54.910 55.300 0.073 0.000 0.890 524 M CB 2.296 34.940 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.104 123.953 122.820 0.047 0.000 2.445 525 A HA 0.329 4.649 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.172 51.876 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.461 116.182 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.281 59.567 58.200 0.143 0.000 0.965 526 S CB -0.260 63.084 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.249 119.384 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.212 174.161 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.972 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.769 121.266 120.400 0.162 0.000 2.179 528 K HA 0.225 4.544 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 -0.775 55.564 56.287 0.086 0.000 0.926 528 K CB 0.651 33.180 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.268 121.728 120.400 0.100 0.000 2.449 529 D HA -0.016 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.952 176.300 0.128 0.000 1.149 529 D CA 0.936 55.002 54.000 0.111 0.000 0.878 529 D CB 0.072 40.909 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.469 121.944 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.445 40.397 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.720 119.557 120.200 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 -0.071 0.000 1.260 531 E CA -0.085 56.384 56.400 0.115 0.000 1.240 531 E CB 0.405 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.758 120.714 120.200 -0.407 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 57.717 56.400 -0.783 0.000 1.222 532 E CB -1.042 28.458 29.700 -0.332 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.983 119.282 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.132 176.592 176.600 -0.234 0.000 1.103 533 K CA 0.113 56.258 56.287 -0.237 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.347 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.008 122.970 119.950 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 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.038 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 3.255 123.313 119.950 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 -3.845 54.237 58.000 0.137 0.000 0.945 535 F CB 0.770 39.815 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 -0.270 176.989 177.300 -0.069 0.000 1.204 536 P CA -0.213 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 -0.223 0.000 2.734 537 M HA -0.072 4.407 4.480 -0.001 0.000 0.356 537 M C 1.083 177.095 176.300 -0.479 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.848 120.036 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.508 175.914 175.328 0.130 0.000 1.142 538 H CA 0.585 56.723 56.048 0.149 0.000 1.158 538 H CB -2.175 27.644 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.920 109.756 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.035 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.035 3.960 -0.001 0.000 0.213 539 G C 0.415 175.403 174.900 0.146 0.000 1.196 539 G CA 0.408 45.564 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.206 117.586 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.616 173.912 175.510 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 39.497 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.016 176.646 176.870 -0.401 0.000 1.124 541 L CA -0.045 54.663 54.840 -0.220 0.000 0.816 541 L CB 0.321 42.233 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.791 123.062 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.998 174.807 176.117 -0.520 0.000 1.048 542 I CA -0.385 60.660 61.300 -0.425 0.000 1.062 542 I CB 1.474 39.338 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.918 122.820 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.759 175.800 -0.057 0.000 1.104 543 F CA -0.735 57.233 58.000 -0.053 0.000 1.013 543 F CB 1.850 40.821 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.752 111.637 108.800 0.141 0.000 2.353 544 G HA2 0.342 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.301 3.960 -0.001 0.000 0.284 544 G C -0.503 174.419 174.900 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 0.696 121.093 120.400 -0.004 0.000 2.285 545 K HA 0.032 4.351 4.320 -0.001 0.000 0.255 545 K C 0.306 176.882 176.600 -0.040 0.000 1.000 545 K CA -0.078 56.185 56.287 -0.040 0.000 0.887 545 K CB 0.549 33.015 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 -0.295 176.280 176.600 -0.043 0.000 1.031 546 E CA 0.977 57.342 56.400 -0.058 0.000 0.911 546 E CB 0.113 29.757 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 1.400 115.947 114.554 -0.012 0.000 3.578 548 T HA 0.460 4.809 4.350 -0.001 0.000 0.343 548 T C 0.348 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.090 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.037 68.868 -0.017 0.000 1.160 548 T HN 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.336 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.515 125.330 122.820 -0.008 0.000 2.206 550 A HA 0.219 4.539 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 0.262 52.292 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.158 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.141 115.830 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -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 0.538 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 -0.420 38.057 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.210 124.019 122.820 -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 -0.546 51.479 52.037 -0.019 0.000 0.827 553 A CB 1.025 20.012 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.121 120.308 120.200 -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 -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.573 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 2.432 123.639 121.223 -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 1.799 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 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.707 119.669 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.921 177.194 176.300 -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 40.771 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 0.239 175.724 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.607 40.074 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.117 117.766 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.375 175.685 176.094 -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 2.844 122.425 119.600 -0.032 0.000 2.085 559 M HA 0.586 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.055 0.000 0.947 559 M CA -0.135 55.153 55.300 -0.021 0.000 0.918 559 M CB 1.676 34.303 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.356 122.854 120.570 -0.121 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.585 176.639 176.117 -0.104 0.000 0.985 560 I CA -0.682 60.511 61.300 -0.179 0.000 1.260 560 I CB 1.801 39.601 38.000 -0.332 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.298 114.786 114.554 -0.110 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.182 174.700 0.059 0.000 0.963 561 T CA -0.847 61.202 62.100 -0.084 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 2.172 122.651 120.400 0.131 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 3.264 123.567 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 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 0.139 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 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.301 176.869 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.903 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.084 121.265 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.705 178.278 176.600 -0.044 0.000 0.996 565 E CA 0.416 56.785 56.400 -0.052 0.000 0.869 565 E CB 0.111 29.762 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.890 118.666 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.418 4.170 -0.001 0.000 0.327 566 I C 1.037 177.166 176.117 0.019 0.000 1.359 566 I CA -0.124 61.179 61.300 0.006 0.000 1.142 566 I CB 0.113 38.126 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.492 121.989 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.997 178.300 176.300 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 -3.815 110.753 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.682 176.387 174.700 0.009 0.000 1.094 568 T CA 0.941 63.053 62.100 0.020 0.000 1.088 568 T CB 0.377 69.270 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.593 112.982 114.554 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 -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.780 40.327 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 -0.697 176.627 177.300 0.040 0.000 1.230 571 P CA -0.384 62.741 63.100 0.041 0.000 0.788 571 P CB 0.559 32.334 31.700 0.125 0.000 0.949 572 V N 1.391 121.316 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.636 177.750 176.094 0.034 0.000 1.049 572 V CA 0.438 62.750 62.300 0.020 0.000 1.038 572 V CB 0.235 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 3.796 126.642 122.820 0.043 0.000 1.902 573 A HA -0.147 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 2.320 54.384 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 -2.560 111.996 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.437 174.700 -0.044 0.000 1.078 574 T CA 0.427 62.509 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 2.394 122.575 120.200 -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 0.477 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.329 119.459 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.326 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 0.163 28.899 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 0.635 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.153 59.235 58.100 -0.030 0.000 1.193 577 Y CB 0.832 39.272 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.194 107.635 108.800 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 -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.365 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.177 114.747 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.854 173.867 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.659 70.527 68.868 -0.001 0.000 0.981 579 T HN 0.615 nan 8.240 nan 0.000 0.439 580 V N 2.167 122.100 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.348 176.452 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.728 33.568 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.164 125.993 122.820 0.015 0.000 2.322 581 A HA 0.676 4.996 4.320 -0.001 0.000 0.269 581 A C 0.425 178.014 177.584 0.008 0.000 1.094 581 A CA -0.380 51.663 52.037 0.011 0.000 0.807 581 A CB 0.179 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 1.136 119.839 118.700 0.005 0.000 2.604 582 N HA 0.122 4.861 4.740 -0.001 0.000 0.284 582 N C -1.200 174.312 175.510 0.003 0.000 1.716 582 N CA -0.418 52.634 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 -0.207 118.496 118.700 0.004 0.000 3.355 583 N HA 0.203 4.942 4.740 -0.001 0.000 0.238 583 N C -1.730 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.721 39.209 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.406 122.632 121.223 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 0.511 42.575 42.059 0.007 0.000 1.341 584 L HN 0.602 nan 8.230 nan 0.000 0.431 585 Q N 2.015 121.819 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.747 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 55.802 55.803 0.004 0.000 0.918 585 Q CB 1.139 29.880 28.738 0.004 0.000 1.242 585 Q HN 0.559 nan 8.270 nan 0.000 0.405 586 S N 0.470 116.172 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.447 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.526 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.224 116.924 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.379 4.470 -0.001 0.000 0.231 587 S C 1.253 175.852 174.600 -0.002 0.000 1.022 587 S CA 1.106 59.305 58.200 -0.002 0.000 0.983 587 S CB -0.873 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 1.535 120.234 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.055 175.455 175.510 -0.002 0.000 1.016 588 N CA 0.925 53.974 53.050 -0.001 0.000 0.876 588 N CB -0.134 38.352 38.487 -0.001 0.000 0.979 588 N HN 0.423 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.970 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.416 71.284 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.948 127.766 122.820 -0.003 0.000 2.328 590 A HA 0.623 4.943 4.320 -0.001 0.000 0.284 590 A C -2.155 175.427 177.584 -0.002 0.000 1.160 590 A CA -1.659 50.376 52.037 -0.003 0.000 0.818 590 A CB -0.261 18.736 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.078 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.980 177.300 -0.001 0.000 1.183 591 P CA 0.553 63.653 63.100 -0.000 0.000 0.761 591 P CB 0.276 31.976 31.700 0.001 0.000 0.785 592 T N 2.562 117.115 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.177 174.876 174.700 -0.001 0.000 1.000 592 T CA -0.223 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 3.358 117.910 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.468 174.230 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.288 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.390 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.462 176.300 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 3.376 117.927 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.417 4.350 -0.001 0.000 0.296 595 T C -0.174 174.530 174.700 0.006 0.000 0.938 595 T CA -0.035 62.066 62.100 0.000 0.000 1.119 595 T CB 0.651 69.511 68.868 -0.012 0.000 0.891 595 T HN 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.845 125.781 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.343 61.977 62.300 0.034 0.000 0.937 596 V CB 0.458 32.326 31.823 0.075 0.000 0.999 596 V HN 0.834 nan 8.190 nan 0.000 0.472 597 N N 4.463 123.142 118.700 -0.034 0.000 2.254 597 N HA 0.148 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 0.615 39.041 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.650 120.963 120.400 -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 1.527 42.225 40.800 -0.170 0.000 1.462 598 D HN -0.255 nan 8.370 nan 0.000 0.559 599 Q N 2.586 122.208 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.097 175.918 176.000 -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 -1.020 0.000 1.247 599 Q HN 0.530 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 -0.674 174.081 174.900 -0.242 0.000 1.487 600 G CA -0.045 44.924 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.270 121.403 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.518 52.037 -0.189 0.000 0.822 601 A CB 0.789 19.596 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.092 123.343 121.223 0.046 0.000 2.422 602 L HA 0.413 4.752 4.340 -0.001 0.000 0.264 602 L C -2.535 174.432 176.870 0.163 0.000 0.984 602 L CA -2.016 52.877 54.840 0.089 0.000 0.819 602 L CB 2.673 44.781 42.059 0.082 0.000 1.330 602 L HN 0.439 nan 8.230 nan 0.000 0.410 603 P HA 0.168 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.680 63.884 63.100 0.174 0.000 0.763 603 P CB 0.722 32.500 31.700 0.130 0.000 0.790 604 G N 2.478 111.444 108.800 0.276 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 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 -0.529 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 1.500 121.296 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.697 177.216 176.300 0.365 0.000 1.239 605 M CA 0.212 55.724 55.300 0.353 0.000 1.114 605 M CB 1.278 34.090 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.206 121.302 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.534 174.742 176.094 0.303 0.000 1.099 606 V CA -0.652 61.712 62.300 0.106 0.000 0.971 606 V CB 1.859 33.580 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.517 122.777 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.297 175.194 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.389 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.169 121.091 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.086 175.036 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.068 0.000 0.869 608 Q CB 1.725 30.468 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.125 120.583 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.906 176.300 0.114 0.000 1.092 609 D CA -0.513 53.587 54.000 0.168 0.000 1.016 609 D CB 0.851 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 0.564 121.154 120.500 0.150 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.259 176.300 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 0.449 120.903 120.400 0.090 0.000 2.371 611 D HA 0.172 4.812 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 -0.192 53.782 54.000 -0.043 0.000 0.945 611 D CB 0.938 41.599 40.800 -0.230 0.000 1.137 611 D HN 0.197 nan 8.370 nan 0.000 0.464 612 V N -0.417 119.225 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.666 176.094 -0.470 0.000 1.054 612 V CA -0.728 61.340 62.300 -0.386 0.000 0.928 612 V CB 1.101 32.691 31.823 -0.388 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.332 122.700 120.300 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 1.792 40.313 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.602 122.372 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.721 178.337 176.870 -0.424 0.000 1.084 614 L CA 2.070 56.093 54.840 -1.362 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.216 0.000 0.891 614 L HN 0.821 nan 8.230 nan 0.000 0.435 615 Q N -1.212 118.463 119.800 -0.209 0.000 2.175 615 Q HA 0.317 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.590 176.603 176.000 0.021 0.000 0.837 615 Q CA 0.348 56.168 55.803 0.028 0.000 1.032 615 Q CB -0.325 28.348 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.044 110.981 108.800 0.228 0.000 2.522 616 G HA2 0.517 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.476 3.960 -0.001 0.000 0.304 616 G C -2.777 172.346 174.900 0.371 0.000 1.210 616 G CA -1.409 43.975 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.458 177.803 177.300 0.075 0.000 1.223 617 P CA -0.238 62.906 63.100 0.074 0.000 0.784 617 P CB 1.133 32.872 31.700 0.065 0.000 0.923 618 I N -0.504 119.947 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.336 4.170 -0.001 0.000 0.243 618 I C 0.728 177.081 176.117 0.394 0.000 1.082 618 I CA 0.636 61.886 61.300 -0.082 0.000 1.447 618 I CB -0.381 37.560 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.510 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.182 175.468 176.519 0.220 0.000 1.190 619 W CA -1.202 56.322 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.334 124.449 122.820 0.491 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.413 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.391 20.502 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.299 122.824 120.400 0.208 0.000 2.412 621 K HA 0.389 4.708 4.320 -0.001 0.000 0.281 621 K C -0.656 175.911 176.600 -0.055 0.000 1.027 621 K CA -0.049 56.182 56.287 -0.094 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 7.757 128.242 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.178 176.117 -0.134 0.000 1.063 622 I CA -2.284 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.933 38.760 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.111 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.860 177.300 0.124 0.000 1.182 623 P CA 0.183 63.321 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 2.468 121.560 119.070 0.036 0.000 3.216 624 H HA 0.239 4.794 4.556 -0.001 0.000 0.263 624 H C 0.273 175.655 175.328 0.090 0.000 1.601 624 H CA 0.084 56.167 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.465 114.104 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.931 175.490 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.292 70.139 68.868 -0.035 0.000 1.200 625 T HN 0.228 nan 8.240 nan 0.000 0.560 626 D N 0.459 120.749 120.400 -0.183 0.000 2.224 626 D HA 0.192 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.035 176.300 -0.308 0.000 0.965 626 D CA 1.096 54.981 54.000 -0.192 0.000 0.852 626 D CB -0.222 40.519 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.717 107.834 108.800 -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 -1.107 173.448 174.900 -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 0.979 120.072 119.070 0.039 0.000 2.949 628 H HA 0.553 5.108 4.556 -0.001 0.000 0.356 628 H C -0.676 174.754 175.328 0.171 0.000 1.212 628 H CA -0.652 55.439 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 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.101 120.154 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.508 176.451 175.800 0.239 0.000 1.010 629 F CA 0.376 58.476 58.000 0.166 0.000 1.100 629 F CB 0.439 39.513 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.170 121.260 119.070 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 54.159 56.048 -0.009 0.000 1.301 630 H CB 0.770 30.640 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 0.101 177.395 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.034 0.000 0.783 631 P CB -0.231 31.381 31.700 -0.145 0.000 1.490 632 S N 1.556 117.287 115.700 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 -1.701 56.562 58.200 0.105 0.000 1.050 632 S CB -0.187 63.129 63.200 0.194 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 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 0.127 63.296 63.100 0.116 0.000 0.761 633 P CB 0.338 32.114 31.700 0.126 0.000 0.795 634 L N 2.246 123.535 121.223 0.110 0.000 2.201 634 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.366 56.272 54.840 0.110 0.000 0.775 634 L CB -0.474 41.637 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.522 119.144 119.600 0.109 0.000 2.659 635 M HA 0.152 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.205 176.300 0.153 0.000 1.111 635 M CA 0.493 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 -0.201 108.682 108.800 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 -1.030 107.765 108.800 -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 -0.445 174.332 174.900 -0.205 0.000 1.247 637 G CA 0.054 45.089 45.100 -0.109 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.825 121.932 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.101 177.037 175.800 0.228 0.000 1.123 638 F CA 0.169 58.304 58.000 0.226 0.000 1.044 638 F CB 2.066 41.211 39.000 0.242 0.000 1.135 638 F HN 0.733 nan 8.300 nan 0.000 0.461 639 G N 4.887 113.855 108.800 0.279 0.000 2.320 639 G HA2 0.611 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.570 3.960 -0.001 0.000 0.300 639 G C -1.016 173.955 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.930 124.205 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.071 177.839 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.726 54.840 0.001 0.000 0.820 640 L CB 2.334 44.421 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 -0.491 0.000 0.931 641 K CB 0.063 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 -2.456 172.796 175.328 -0.126 0.000 1.346 642 H CA -2.121 53.702 56.048 -0.375 0.000 1.502 642 H CB 1.174 30.891 29.762 -0.075 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 -1.878 61.046 63.100 -0.294 0.000 0.800 643 P CB 0.025 31.562 31.700 -0.271 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.100 175.028 177.300 -0.286 0.000 1.172 644 P CA -0.270 62.108 63.100 -1.203 0.000 0.762 644 P CB -1.122 29.907 31.700 -1.118 0.000 0.764 645 P HA 0.032 nan 4.420 nan 0.000 0.272 645 P C -0.487 176.733 177.300 -0.134 0.000 1.240 645 P CA -0.040 63.012 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.245 0.000 0.978 646 Q N 0.628 120.325 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.670 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.238 176.000 -0.514 0.000 0.941 646 Q CA -0.283 55.326 55.803 -0.323 0.000 0.912 646 Q CB 0.215 28.710 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.040 123.342 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.507 175.378 176.117 -0.387 0.000 1.041 647 I CA -0.207 60.776 61.300 -0.528 0.000 1.199 647 I CB 0.610 38.253 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.582 125.756 119.600 -0.709 0.000 2.250 648 M HA 0.549 5.029 4.480 -0.001 0.000 0.344 648 M C -0.645 175.638 176.300 -0.029 0.000 1.150 648 M CA -0.244 54.774 55.300 -0.470 0.000 1.147 648 M CB 1.199 33.167 32.600 -1.053 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.118 123.838 120.570 0.249 0.000 2.722 649 I HA 0.683 4.852 4.170 -0.001 0.000 0.292 649 I C -1.832 174.285 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.085 61.300 0.132 0.000 1.036 649 I CB 1.637 39.626 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.968 124.220 120.400 -0.245 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.905 174.520 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.581 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.303 119.906 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.142 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.915 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 3.654 118.124 114.554 -0.139 0.000 2.888 652 T HA 0.148 4.497 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 -0.700 61.290 62.100 -0.184 0.000 1.147 652 T CB 0.297 69.103 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.919 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.131 62.465 63.100 -0.839 0.000 0.762 653 P CB 0.344 31.435 31.700 -1.014 0.000 0.799 654 V N 7.063 126.925 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.384 4.120 -0.001 0.000 0.278 654 V C -2.106 174.159 176.094 0.286 0.000 1.018 654 V CA -2.100 60.251 62.300 0.084 0.000 0.814 654 V CB 1.348 33.206 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 0.415 63.514 63.100 -0.002 0.000 0.768 655 P CB 0.773 32.170 31.700 -0.505 0.000 0.838 656 A N 3.108 126.033 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.103 177.784 177.584 0.162 0.000 1.372 656 A CA -0.668 51.456 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 1.066 119.827 118.700 0.101 0.000 2.315 657 N HA 0.163 4.903 4.740 -0.001 0.000 0.270 657 N C -2.435 173.137 175.510 0.102 0.000 1.329 657 N CA -0.431 52.669 53.050 0.084 0.000 0.860 657 N CB 0.072 38.585 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 -2.539 174.798 177.300 0.060 0.000 1.270 658 P CA -1.310 61.878 63.100 0.146 0.000 0.844 658 P CB 0.409 32.246 31.700 0.229 0.000 1.068 659 P HA 0.179 nan 4.420 nan 0.000 0.275 659 P C 0.610 177.936 177.300 0.043 0.000 1.227 659 P CA -0.056 63.048 63.100 0.007 0.000 0.781 659 P CB 0.213 31.892 31.700 -0.033 0.000 0.906 660 T N -0.669 113.906 114.554 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 -0.193 68.694 68.868 0.033 0.000 0.878 660 T HN 0.477 nan 8.240 nan 0.000 0.509 661 T N 0.983 115.571 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.906 173.862 174.700 0.114 0.000 1.000 661 T CA -0.968 61.178 62.100 0.078 0.000 1.042 661 T CB 0.298 69.190 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.624 124.581 119.950 0.011 0.000 2.506 662 F HA 0.489 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.319 57.692 58.000 0.018 0.000 1.195 662 F CB 0.356 39.369 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.583 122.893 115.700 -0.650 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.683 172.410 174.600 -0.844 0.000 1.090 663 S CA -1.369 56.440 58.200 -0.651 0.000 1.089 663 S CB 1.285 64.291 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 0.293 177.493 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.116 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.210 0.000 0.796 665 A N 0.872 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.254 4.320 -0.001 0.000 0.231 665 A C 0.619 178.173 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.952 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.506 19.000 -0.125 0.000 0.988 665 A HN 0.092 nan 8.150 nan 0.000 0.509 666 K N 0.834 121.236 120.400 0.003 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.729 175.904 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.040 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 0.706 176.432 175.800 -0.123 0.000 1.090 667 F CA 0.606 58.550 58.000 -0.092 0.000 1.202 667 F CB 1.177 40.115 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.035 125.722 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.511 177.982 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.067 0.000 1.008 668 A CB -0.073 18.916 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.720 116.180 115.700 -0.401 0.000 2.411 669 S HA 0.640 5.110 4.470 -0.001 0.000 0.304 669 S C -0.976 173.509 174.600 -0.190 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.213 0.000 1.068 669 S CB -0.618 62.450 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.366 123.453 119.950 0.228 0.000 2.579 670 F HA 0.554 5.080 4.527 -0.001 0.000 0.324 670 F C 0.417 176.305 175.800 0.147 0.000 1.058 670 F CA -1.194 56.932 58.000 0.209 0.000 0.944 670 F CB 1.307 40.461 39.000 0.256 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.793 122.569 120.570 0.343 0.000 2.416 671 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.390 61.035 61.300 0.209 0.000 1.375 671 I CB 0.920 39.009 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.399 119.042 114.554 0.149 0.000 2.834 672 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 672 T C -0.367 174.400 174.700 0.110 0.000 0.966 672 T CA -0.602 61.566 62.100 0.114 0.000 1.141 672 T CB 0.906 69.818 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 -1.019 119.261 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.790 175.100 175.900 -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 40.395 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.342 116.023 115.700 -0.032 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.873 173.668 174.600 -0.097 0.000 1.094 675 S CA -0.450 57.693 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.316 113.995 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.325 173.674 174.700 -1.169 0.000 1.265 676 T CA 0.237 61.832 62.100 -0.842 0.000 1.036 676 T CB 1.032 69.640 68.868 -0.432 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.123 109.770 108.800 -1.921 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.222 174.900 -1.150 0.000 1.311 677 G CA -0.667 43.729 45.100 -1.173 0.000 0.813 677 G HN 0.747 nan 8.290 nan 0.000 0.480 678 Q N -1.271 118.188 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.588 175.218 176.000 -0.324 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.399 30.732 28.738 -0.675 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.301 120.154 119.914 -0.102 0.000 2.709 679 V HA 0.798 4.917 4.120 -0.001 0.000 0.308 679 V C -1.411 174.591 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.265 34.097 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.151 119.766 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.413 173.054 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.708 64.971 63.200 0.105 0.000 1.048 680 S HN 0.851 nan 8.310 nan 0.000 0.483 681 V N 4.378 124.192 119.914 -0.166 0.000 2.524 681 V HA 0.476 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 -0.664 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.347 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.455 175.093 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.073 0.000 0.761 682 E CB 1.460 31.097 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.394 123.902 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.237 175.671 176.117 -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 -0.454 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.387 125.332 120.200 -0.424 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.385 176.600 -0.448 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.292 0.000 0.796 684 E CB 1.200 30.799 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.884 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.093 176.464 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.207 30.728 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.353 123.734 120.200 0.301 0.000 2.227 686 E HA 0.462 4.812 4.350 -0.001 0.000 0.282 686 E C -0.985 175.961 176.600 0.577 0.000 1.015 686 E CA -0.399 56.203 56.400 0.336 0.000 0.823 686 E CB 0.771 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 3.682 125.182 121.223 0.463 0.000 2.325 687 L HA 0.360 4.700 4.340 -0.001 0.000 0.278 687 L C -0.060 176.921 176.870 0.185 0.000 1.023 687 L CA -0.740 54.346 54.840 0.409 0.000 0.811 687 L CB 1.670 43.904 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.219 122.994 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.112 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.332 0.000 0.887 688 Q CB 1.117 29.417 28.738 -0.730 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.329 122.635 120.400 -0.155 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.160 176.145 176.600 -0.491 0.000 1.007 689 K CA -0.088 56.069 56.287 -0.216 0.000 0.941 689 K CB 0.927 33.321 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.217 122.034 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.118 176.600 -1.004 0.000 1.029 690 E CA -0.007 55.605 56.400 -1.314 0.000 0.871 690 E CB 0.448 29.573 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.983 120.981 118.700 -1.170 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.922 173.468 175.510 -0.200 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.961 39.277 38.487 -0.286 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.034 116.642 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.931 4.470 -0.001 0.000 0.301 692 S C 0.175 174.803 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.080 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 2.153 122.608 120.400 0.092 0.000 2.440 693 K HA 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.268 176.950 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.064 32.491 32.500 0.091 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.988 121.569 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.247 56.440 56.100 0.154 0.000 1.056 694 R CB 0.038 30.420 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 -0.254 176.278 176.519 0.022 0.000 1.191 695 W CA 0.951 58.309 57.345 0.021 0.000 1.327 695 W CB -0.115 29.356 29.460 0.018 0.000 1.128 695 W HN 0.748 nan 8.180 nan 0.000 0.522 696 N N 1.947 120.761 118.700 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 -1.297 51.804 53.050 0.084 0.000 0.959 696 N CB -0.396 38.187 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.060 nan 4.420 nan 0.000 0.267 697 P C -0.243 177.078 177.300 0.035 0.000 1.200 697 P CA 0.312 63.406 63.100 -0.010 0.000 0.772 697 P CB 0.550 32.242 31.700 -0.014 0.000 0.855 698 E N 1.209 121.439 120.200 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 -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.921 30.692 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.952 119.686 120.570 0.113 0.000 2.529 699 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 699 I C -0.348 175.928 176.117 0.264 0.000 1.082 699 I CA -0.363 61.023 61.300 0.143 0.000 1.406 699 I CB 0.535 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 4.873 124.832 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.842 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 31.471 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.830 121.084 120.300 -0.077 0.000 2.346 701 Y HA 0.301 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.119 175.785 175.900 0.007 0.000 1.178 701 Y CA 0.846 58.904 58.100 -0.069 0.000 1.331 701 Y CB 0.972 39.169 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.610 117.799 114.554 -0.609 0.000 2.840 702 T HA 0.444 4.794 4.350 -0.001 0.000 0.317 702 T C -1.223 173.238 174.700 -0.398 0.000 1.401 702 T CA -0.745 61.179 62.100 -0.293 0.000 1.028 702 T CB 0.847 69.662 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.858 117.506 115.700 -0.087 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 0.732 nan 8.310 nan 0.000 0.534 704 N N 1.715 120.431 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.609 176.130 175.510 0.018 0.000 1.195 704 N CA -0.154 52.902 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 1.011 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.050 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 -0.407 57.697 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 2.824 121.155 118.700 -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 -0.001 52.746 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 0.874 121.190 120.400 -0.139 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.223 176.337 176.600 -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 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.859 175.442 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.570 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.707 122.601 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 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 -0.831 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.748 117.931 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.031 174.465 175.510 -0.023 0.000 1.129 710 N CA -0.614 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.060 40.514 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.394 121.306 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.071 176.040 176.094 0.028 0.000 1.051 711 V CA -0.398 61.920 62.300 0.030 0.000 1.010 711 V CB 0.827 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 4.252 124.692 120.400 0.067 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.222 0.000 1.142 712 D CA 0.596 54.637 54.000 0.068 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 -0.150 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.322 176.149 175.800 0.045 0.000 1.048 713 F CA 0.343 58.288 58.000 -0.093 0.000 1.134 713 F CB -1.765 37.297 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 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.180 174.472 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.714 62.100 0.069 0.000 1.007 714 T CB 2.146 71.050 68.868 0.059 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.384 120.255 119.914 -0.072 0.000 2.953 715 V HA 0.705 4.825 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 61.592 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 0.992 121.346 120.400 -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 0.256 54.221 54.000 -0.058 0.000 1.087 716 D CB -0.007 40.753 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.141 112.395 114.554 -0.030 0.000 2.737 717 T HA -0.244 4.106 4.350 -0.001 0.000 0.269 717 T C 0.829 175.520 174.700 -0.015 0.000 1.040 717 T CA 1.670 63.758 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 0.864 119.553 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.179 4.740 -0.001 0.000 0.255 718 N C 0.690 176.192 175.510 -0.013 0.000 1.158 718 N CA -0.083 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 0.578 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 45.221 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.848 122.730 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 720 V C -0.039 176.004 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.516 33.315 31.823 -0.040 0.000 1.012 720 V HN 0.608 nan 8.190 nan 0.000 0.432 721 Y N 4.511 124.668 120.300 -0.238 0.000 2.511 721 Y HA 0.492 5.042 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 0.308 58.231 58.100 -0.294 0.000 1.422 721 Y CB 1.059 39.279 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.393 119.584 115.700 -0.848 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.601 172.499 174.600 -0.833 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.639 0.000 0.944 722 S CB 1.371 64.345 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.997 122.812 120.200 -0.642 0.000 2.130 723 E HA 0.255 4.604 4.350 -0.001 0.000 0.284 723 E C -1.906 174.290 176.600 -0.674 0.000 1.018 723 E CA -2.087 53.872 56.400 -0.735 0.000 0.817 723 E CB 0.734 30.282 29.700 -0.253 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.169 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 1.322 64.122 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.021 118.360 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.006 0.000 0.917 725 R CB 0.432 30.800 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 0.271 726 P C -0.595 176.833 177.300 0.214 0.000 1.216 726 P CA -0.260 62.866 63.100 0.044 0.000 0.771 726 P CB 0.483 32.178 31.700 -0.008 0.000 0.864 727 I N 2.688 123.406 120.570 0.247 0.000 2.339 727 I HA 0.309 4.479 4.170 -0.001 0.000 0.290 727 I C 1.273 177.747 176.117 0.596 0.000 0.994 727 I CA -0.264 61.243 61.300 0.345 0.000 1.191 727 I CB 0.853 38.908 38.000 0.092 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.630 112.815 108.800 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 0.302 45.683 45.100 0.469 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.615 113.092 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.798 175.637 174.700 0.231 0.000 0.893 729 T CA -0.283 61.914 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.290 121.916 120.500 0.209 0.000 2.825 730 R HA 0.341 4.680 4.340 -0.001 0.000 0.261 730 R C -0.346 176.007 176.300 0.088 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.198 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 0.217 120.544 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.954 176.904 175.900 0.084 0.000 1.117 731 Y CA 0.019 58.163 58.100 0.073 0.000 1.263 731 Y CB 0.582 39.097 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.839 122.227 121.223 0.274 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 -0.398 54.613 54.840 0.286 0.000 0.808 732 L CB 0.917 43.299 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.036 114.585 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.514 174.068 174.700 -0.195 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.210 71.106 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.077 122.379 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.884 175.370 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.401 0.000 0.945 734 R CB 1.398 31.073 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.039 119.731 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.023 4.740 -0.001 0.000 0.270 735 N C -0.135 175.439 175.510 0.107 0.000 1.205 735 N CA -0.392 52.698 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