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_H DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.533 125.374 122.820 0.035 0.000 2.446 218 A HA 0.825 5.144 4.320 -0.001 0.000 0.282 218 A C -0.996 176.608 177.584 0.032 0.000 1.102 218 A CA -0.575 51.486 52.037 0.040 0.000 0.737 218 A CB 1.689 20.710 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.604 121.027 120.400 0.038 0.000 2.808 219 D HA 0.703 5.343 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 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 0.669 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.883 175.798 174.900 0.024 0.000 1.345 220 G CA -0.299 44.815 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.551 120.476 119.914 0.018 0.000 2.255 221 V HA 0.033 4.152 4.120 -0.001 0.000 0.243 221 V C 2.528 178.630 176.094 0.014 0.000 1.038 221 V CA 2.120 64.428 62.300 0.015 0.000 1.008 221 V CB -0.653 31.175 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.751 109.557 108.800 0.011 0.000 3.474 222 G HA2 0.147 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.147 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.339 222 G CA 0.022 45.128 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.018 118.695 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.059 175.474 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.404 39.904 38.487 0.022 0.000 1.500 223 N HN 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.539 117.265 115.700 0.043 0.000 2.549 224 S HA 0.086 4.556 4.470 -0.001 0.000 0.286 224 S C 0.834 175.480 174.600 0.076 0.000 1.314 224 S CA -0.226 58.016 58.200 0.070 0.000 1.062 224 S CB 0.669 63.914 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.105 116.877 115.700 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 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.696 62.597 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.362 109.171 108.800 0.015 0.000 2.328 226 G HA2 0.324 4.283 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.283 3.960 -0.001 0.000 0.299 226 G C -1.900 172.901 174.900 -0.165 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.292 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.027 117.487 118.700 -0.310 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.009 174.407 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.095 53.050 -0.178 0.000 0.824 227 N CB 2.206 40.517 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.577 123.725 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.294 176.519 -0.283 0.000 1.066 228 W CA 0.025 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.344 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.320 124.295 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.996 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.968 30.654 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.103 123.404 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.541 174.503 174.990 0.090 0.000 1.093 230 C CA -0.277 58.747 59.018 0.009 0.000 1.463 230 C CB -0.710 27.091 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.921 122.348 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.013 176.300 0.002 0.000 1.266 231 D CA 0.178 54.208 54.000 0.048 0.000 0.830 231 D CB 2.295 43.134 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.505 116.208 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.861 172.723 174.600 -0.025 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.692 63.200 -0.115 0.000 1.100 232 S HN 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.422 121.162 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.086 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.486 29.268 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.420 122.738 121.300 0.031 0.000 2.512 234 W HA 0.577 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.778 56.589 57.345 0.035 0.000 1.236 234 W CB 1.010 30.485 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.299 124.663 121.223 0.235 0.000 3.014 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 235 L C 1.625 178.578 176.870 0.139 0.000 1.207 235 L CA 0.719 55.646 54.840 0.145 0.000 1.017 235 L CB -0.674 41.437 42.059 0.086 0.000 1.360 235 L HN 0.999 nan 8.230 nan 0.000 0.560 236 G N 1.048 109.963 108.800 0.191 0.000 2.412 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G C 0.940 175.910 174.900 0.116 0.000 1.038 236 G CA 1.108 46.285 45.100 0.129 0.000 0.628 236 G HN 0.396 nan 8.290 nan 0.000 0.531 237 D N 0.027 120.497 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.099 177.490 176.300 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 -1.604 118.991 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.101 0.000 1.028 238 R CA -0.993 55.201 56.100 0.155 0.000 0.865 238 R CB 1.044 31.409 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.667 121.603 119.914 0.037 0.000 2.760 239 V HA 0.595 4.715 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.085 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.220 0.000 0.910 239 V CB 1.941 33.319 31.823 -0.740 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.708 126.179 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.708 4.170 -0.001 0.000 0.289 240 I C 0.403 176.438 176.117 -0.137 0.000 0.994 240 I CA 0.015 61.263 61.300 -0.086 0.000 1.158 240 I CB 2.057 40.008 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.446 115.958 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.073 4.350 -0.001 0.000 0.281 241 T C -0.126 174.552 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.020 69.759 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.444 116.971 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.534 174.139 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.607 117.264 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.903 173.564 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.973 64.122 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.429 119.734 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.804 173.534 174.700 -0.603 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.139 69.183 68.868 -1.374 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.012 121.370 120.500 -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 0.310 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.651 32.146 30.300 0.326 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.711 117.494 114.554 0.382 0.000 2.837 246 T HA 0.544 4.894 4.350 -0.001 0.000 0.285 246 T C -0.296 174.472 174.700 0.114 0.000 0.984 246 T CA -0.559 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 0.567 121.796 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.443 174.900 176.519 -0.293 0.000 1.109 247 W CA -1.691 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 2.947 125.765 122.820 -0.002 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.155 175.549 177.584 0.200 0.000 1.068 248 A CA -0.789 51.304 52.037 0.094 0.000 0.743 248 A CB 2.002 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 -1.556 53.386 54.840 0.169 0.000 0.836 249 L CB 2.129 44.314 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.103 177.300 -0.271 0.000 1.308 250 P CA -0.385 62.576 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.971 31.700 -0.508 0.000 1.364 251 T N 0.132 114.495 114.554 -0.317 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 -0.041 61.864 62.100 -0.325 0.000 0.973 251 T CB -0.988 67.645 68.868 -0.390 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.147 122.347 120.300 -0.166 0.000 2.397 252 Y HA 0.125 4.674 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.138 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 0.694 nan 8.280 nan 0.000 0.557 253 N N 1.730 120.487 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.308 175.510 -0.014 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 -0.061 118.568 118.700 -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 2.028 54.974 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.873 116.150 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.179 175.149 175.328 0.000 0.000 1.198 255 H CA 1.126 57.094 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.340 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.398 121.692 121.223 0.117 0.000 2.362 256 L HA 0.445 4.785 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 -1.011 53.945 54.840 0.193 0.000 0.818 256 L CB 1.217 43.384 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.236 122.680 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.005 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.214 58.059 58.100 0.289 0.000 1.201 257 Y CB 0.840 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 3.000 123.581 120.400 0.301 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 34.429 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.765 124.590 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.586 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 0.418 28.980 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.728 120.929 120.570 -0.616 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.654 175.061 176.117 -0.670 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.331 40.174 38.000 -0.261 0.000 1.249 260 I HN 0.770 nan 8.210 nan 0.000 0.433 261 S N 2.166 117.539 115.700 -0.545 0.000 2.724 261 S HA 0.530 4.999 4.470 -0.001 0.000 0.278 261 S C -0.568 173.641 174.600 -0.653 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.713 0.000 0.860 261 S CB 0.806 63.892 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 -0.422 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 0.554 63.904 63.200 0.250 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.582 121.429 119.800 0.078 0.000 2.286 263 Q HA 0.069 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 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.453 29.207 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.095 118.825 115.700 0.050 0.000 2.945 264 S HA 0.129 4.598 4.470 -0.001 0.000 0.344 264 S C 0.834 175.470 174.600 0.060 0.000 1.066 264 S CA 0.667 58.901 58.200 0.056 0.000 1.721 264 S CB -0.933 62.285 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.855 110.719 108.800 0.105 0.000 2.248 265 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.232 45.100 0.079 0.000 0.863 265 G HN 0.897 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 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.829 177.584 -0.113 0.000 1.198 266 A CA 1.879 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.491 19.466 19.000 -0.042 0.000 0.852 266 A HN 1.504 nan 8.150 nan 0.000 0.454 267 S N -2.511 113.060 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.195 174.509 174.600 -0.477 0.000 1.150 267 S CA -0.313 57.729 58.200 -0.263 0.000 0.850 267 S CB 1.304 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.812 119.366 118.700 -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 0.295 53.313 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.645 121.041 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.651 4.640 -0.001 0.000 0.226 269 D C 0.010 176.312 176.300 0.003 0.000 1.020 269 D CA 0.622 54.649 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.071 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.586 118.074 118.700 -0.065 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.019 175.527 175.510 0.060 0.000 1.179 270 N CA -0.373 52.642 53.050 -0.060 0.000 0.877 270 N CB 0.708 39.108 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.466 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.651 56.819 56.048 0.200 0.000 1.435 271 H CB 0.174 30.001 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.391 121.814 120.300 0.205 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 -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.144 121.025 119.950 -0.115 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 -0.260 0.000 0.957 273 F CB 2.086 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 2.809 111.041 108.800 -0.946 0.000 2.500 274 G HA2 0.450 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.450 4.410 3.960 -0.001 0.000 0.299 274 G C -2.439 171.802 174.900 -1.099 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.892 119.021 120.300 -0.646 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.142 175.831 175.900 -0.353 0.000 1.036 275 Y CA -0.767 57.075 58.100 -0.431 0.000 1.042 275 Y CB 2.657 41.009 38.460 -0.180 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.098 116.829 115.700 0.053 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.714 173.933 174.600 0.078 0.000 1.099 276 S CA -0.571 57.638 58.200 0.016 0.000 1.070 276 S CB 0.323 63.518 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.339 116.927 114.554 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 0.252 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 -0.862 176.431 177.300 -0.013 0.000 1.241 278 P CA -0.120 62.951 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.125 0.000 1.088 279 W N 0.423 121.732 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.579 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.984 30.467 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.126 110.054 108.800 0.214 0.000 2.557 280 G HA2 0.697 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.697 4.656 3.960 -0.001 0.000 0.302 280 G C -1.867 173.081 174.900 0.080 0.000 1.311 280 G CA -0.622 44.508 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 -0.224 0.000 2.641 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.830 173.891 175.900 -0.299 0.000 1.174 281 Y CA -2.086 55.866 58.100 -0.247 0.000 1.057 281 Y CB 0.951 39.282 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.954 121.896 119.950 -0.013 0.000 2.404 282 F HA 0.501 5.028 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 58.029 58.000 0.048 0.000 1.087 282 F CB 1.439 40.538 39.000 0.166 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.686 123.215 120.400 0.215 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.112 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.039 0.000 1.530 283 D HN 0.292 nan 8.370 nan 0.000 0.493 284 F N 1.059 121.104 119.950 0.159 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.245 176.125 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.132 0.000 1.123 284 F CB -0.918 38.236 39.000 0.257 0.000 1.207 284 F HN 0.274 nan 8.300 nan 0.000 0.512 285 N N 1.311 119.853 118.700 -0.263 0.000 2.375 285 N HA 0.181 4.921 4.740 -0.001 0.000 0.220 285 N C -0.195 175.108 175.510 -0.344 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 0.000 0.833 285 N CB 0.258 38.160 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.539 119.860 120.500 -0.169 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.076 176.306 176.300 -0.117 0.000 0.963 286 R CA -0.643 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 0.908 120.874 119.950 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 0.170 0.000 1.090 287 F CA 1.621 59.752 58.000 0.218 0.000 1.293 287 F CB -0.066 38.913 39.000 -0.036 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.946 116.244 119.070 0.201 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 0.404 56.517 56.048 0.108 0.000 1.171 288 H CB -1.451 28.336 29.762 0.043 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.540 119.791 119.300 -0.082 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.732 176.480 174.990 -0.403 0.000 1.398 289 C CA 0.850 59.706 59.018 -0.271 0.000 1.774 289 C CB -0.634 26.804 27.740 -0.504 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.929 116.239 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.042 175.212 175.328 -0.124 0.000 0.934 290 H CA 0.152 56.210 56.048 0.017 0.000 1.116 290 H CB -0.110 29.683 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 1.106 176.993 175.800 0.144 0.000 1.117 291 F CA -0.804 57.310 58.000 0.190 0.000 1.139 291 F CB 1.080 40.261 39.000 0.301 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.942 119.797 115.700 0.258 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.859 172.846 174.600 0.175 0.000 1.346 292 S CA -1.012 57.298 58.200 0.184 0.000 1.018 292 S CB 1.215 64.503 63.200 0.147 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 1.216 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 2.000 58.147 56.100 0.080 0.000 0.960 294 R CB -1.658 28.702 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 1.653 178.178 176.300 0.375 0.000 0.989 295 D CA 1.203 55.472 54.000 0.447 0.000 0.827 295 D CB -0.613 40.516 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.041 123.372 121.300 0.051 0.000 2.325 296 W HA -0.241 4.418 4.660 -0.001 0.000 0.299 296 W C 2.155 178.521 176.519 -0.253 0.000 1.215 296 W CA 1.449 58.664 57.345 -0.217 0.000 1.244 296 W CB -0.095 29.194 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.320 120.070 119.800 -0.083 0.000 2.084 297 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.821 57.511 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 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.161 120.545 120.500 -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 4.149 4.340 -0.001 0.000 0.209 299 L C 2.147 178.800 176.870 -0.360 0.000 1.071 299 L CA 1.279 55.987 54.840 -0.220 0.000 0.746 299 L CB -0.198 41.562 42.059 -0.499 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.630 120.867 120.570 -0.554 0.000 2.208 300 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 300 I C 1.797 177.782 176.117 -0.220 0.000 1.097 300 I CA 1.463 62.482 61.300 -0.469 0.000 1.363 300 I CB -1.565 36.056 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.935 119.506 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.714 4.740 -0.001 0.000 0.188 301 N C 0.873 176.348 175.510 -0.057 0.000 1.122 301 N CA 0.352 53.340 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 -0.797 174.685 175.510 -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 39.310 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.218 118.514 118.700 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 -0.434 52.692 53.050 0.128 0.000 0.864 303 N CB 1.680 40.249 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.999 123.286 121.300 -0.021 0.000 2.341 304 W HA -0.131 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.230 57.549 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 -1.610 107.381 108.800 0.318 0.000 2.430 305 G HA2 0.432 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.432 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.474 174.900 0.590 0.000 1.330 305 G CA -0.572 44.744 45.100 0.359 0.000 0.813 305 G HN 0.129 nan 8.290 nan 0.000 0.487 306 F N -1.409 118.961 119.950 0.702 0.000 2.807 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.316 306 F C -0.887 175.312 175.800 0.666 0.000 1.162 306 F CA -1.135 57.313 58.000 0.746 0.000 0.910 306 F CB 1.435 40.677 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.038 120.786 120.500 0.540 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.641 172.628 176.300 -0.052 0.000 1.032 307 R CA -1.855 54.206 56.100 -0.066 0.000 0.866 307 R CB 1.742 31.720 30.300 -0.537 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 -0.847 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.219 31.591 31.700 -2.213 0.000 1.035 309 K N 0.531 120.531 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.379 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.805 56.937 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 0.359 nan 8.250 nan 0.000 0.457 310 K N 0.221 120.581 120.400 -0.068 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.341 175.291 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.981 34.415 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.290 120.936 121.223 0.005 0.000 2.565 311 L HA 0.395 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.985 176.870 -0.056 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.422 44.564 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.499 120.174 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.245 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.010 64.152 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.414 123.372 119.950 0.014 0.000 2.469 313 F HA 0.686 5.213 4.527 -0.001 0.000 0.332 313 F C -0.277 175.594 175.800 0.117 0.000 1.103 313 F CA -0.487 57.571 58.000 0.098 0.000 0.979 313 F CB 0.983 40.171 39.000 0.313 0.000 1.137 313 F HN 0.415 nan 8.300 nan 0.000 0.463 314 K N 7.288 127.315 120.400 -0.622 0.000 2.535 314 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 314 K C -2.178 174.303 176.600 -0.198 0.000 0.942 314 K CA -0.606 55.547 56.287 -0.224 0.000 0.798 314 K CB 1.575 34.041 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.870 127.161 121.223 0.113 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.384 176.870 0.425 0.000 1.006 315 L CA -0.875 54.052 54.840 0.145 0.000 0.817 315 L CB 0.989 43.121 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.638 119.416 119.950 0.173 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.165 175.704 175.800 0.116 0.000 1.174 316 F CA -1.469 56.608 58.000 0.129 0.000 0.903 316 F CB 1.077 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 0.579 119.434 118.700 0.257 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.388 175.510 -0.027 0.000 1.008 317 N CA 0.520 53.632 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 0.488 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 61.414 61.300 -0.005 0.000 1.383 318 I CB 0.897 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 5.432 125.148 119.800 -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 0.391 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 4.473 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 -0.633 61.553 62.300 -0.191 0.000 0.847 320 V CB 1.160 32.926 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 -0.348 176.117 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.523 34.639 32.500 -0.640 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.283 120.450 120.200 -0.055 0.000 2.183 322 E HA 0.496 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.979 31.696 29.700 0.028 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.324 122.304 119.914 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 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.807 117.387 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.788 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.953 122.763 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.734 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 -0.483 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.537 29.278 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.140 119.845 118.700 0.009 0.000 2.132 326 N HA -0.076 4.664 4.740 -0.001 0.000 0.187 326 N C 0.097 175.610 175.510 0.005 0.000 1.038 326 N CA 1.243 54.298 53.050 0.009 0.000 0.846 326 N CB 0.417 38.909 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.627 118.776 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.039 177.339 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.225 nan 8.370 nan 0.000 0.212 328 G N -0.192 108.608 108.800 -0.001 0.000 3.839 328 G HA2 0.263 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.263 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.681 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.687 115.240 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 0.000 0.000 1.000 329 T CA -0.269 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.361 70.229 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.222 116.775 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.119 174.700 0.008 0.000 0.962 330 T CA -0.799 61.301 62.100 0.001 0.000 0.972 330 T CB 0.264 69.128 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 0.002 174.722 174.700 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 2.166 122.761 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.160 176.300 176.117 0.039 0.000 0.999 332 I CA -1.040 60.300 61.300 0.065 0.000 1.124 332 I CB 1.556 39.622 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.324 128.160 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.894 176.677 177.584 -0.022 0.000 1.121 333 A CA -0.817 51.221 52.037 0.003 0.000 0.743 333 A CB 1.343 20.348 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 -0.979 174.511 175.510 -0.034 0.000 1.136 334 N CA 0.173 53.197 53.050 -0.044 0.000 0.961 334 N CB 0.760 39.225 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.422 122.094 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.901 176.394 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.327 38.799 38.487 -0.025 0.000 1.148 335 N HN 0.454 nan 8.380 nan 0.000 0.509 336 L N 0.983 122.195 121.223 -0.017 0.000 2.156 336 L HA -0.067 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 1.283 56.116 54.840 -0.012 0.000 0.770 336 L CB -0.457 41.598 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.373 110.180 114.554 -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 -0.058 62.044 62.100 0.004 0.000 1.051 337 T CB 0.038 68.909 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.947 117.645 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.016 174.600 0.001 0.000 1.305 338 S CA -0.422 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.706 63.897 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.226 114.780 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.569 174.138 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 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 0.151 120.085 119.914 0.033 0.000 3.087 340 V HA 0.523 4.642 4.120 -0.001 0.000 0.306 340 V C -1.793 174.324 176.094 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 3.486 123.289 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.455 174.667 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.562 31.384 28.738 0.140 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.364 123.376 119.914 0.162 0.000 2.823 342 V HA 0.745 4.865 4.120 -0.001 0.000 0.312 342 V C -0.719 175.412 176.094 0.062 0.000 1.072 342 V CA -0.830 61.448 62.300 -0.036 0.000 0.937 342 V CB 1.325 32.815 31.823 -0.554 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.323 120.122 119.950 -0.251 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.902 174.702 175.800 -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 0.682 115.094 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.635 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 0.907 69.369 68.868 -0.676 0.000 0.962 344 T HN 0.836 nan 8.240 nan 0.000 0.438 345 D N 3.383 123.524 120.400 -0.433 0.000 2.498 345 D HA 0.248 4.888 4.640 -0.001 0.000 0.229 345 D C 0.859 176.916 176.300 -0.405 0.000 1.188 345 D CA 0.111 53.925 54.000 -0.308 0.000 1.028 345 D CB 0.061 40.645 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.013 117.532 115.700 -0.302 0.000 2.501 346 S HA 0.007 4.477 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 0.067 58.038 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.292 120.328 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.320 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 0.516 120.832 120.300 0.027 0.000 3.078 348 Y HA -0.297 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.051 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.418 36.029 38.460 -0.022 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.108 119.736 119.800 0.073 0.000 2.396 349 Q HA 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.185 56.019 55.803 0.051 0.000 0.927 349 Q CB 0.591 29.431 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.872 122.979 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.487 176.870 -0.261 0.000 1.054 350 L CA -2.423 52.166 54.840 -0.418 0.000 0.804 350 L CB 0.965 42.753 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 -1.079 176.261 177.300 0.067 0.000 1.185 351 P CA 0.166 63.219 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 4.148 124.443 120.300 -0.008 0.000 2.584 352 Y HA 0.119 4.669 4.550 -0.001 0.000 0.351 352 Y C 1.209 177.119 175.900 0.015 0.000 1.030 352 Y CA 0.285 58.392 58.100 0.011 0.000 1.332 352 Y CB 0.369 38.853 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.064 126.807 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.523 176.432 176.094 -0.308 0.000 1.314 353 V CA 0.306 62.457 62.300 -0.249 0.000 1.125 353 V CB -0.611 31.018 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.248 120.623 121.223 -0.587 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.345 176.870 -0.157 0.000 1.151 354 L CA 0.297 54.887 54.840 -0.417 0.000 0.806 354 L CB -0.073 41.616 42.059 -0.616 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.158 108.877 108.800 -0.134 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.582 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.498 115.201 115.700 -0.003 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.082 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.032 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.598 124.350 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.888 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.120 118.953 119.070 0.004 0.000 2.767 358 H HA 0.253 4.808 4.556 -0.001 0.000 0.380 358 H C 1.011 176.362 175.328 0.038 0.000 1.409 358 H CA 0.927 56.989 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 -1.195 118.722 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.539 176.597 176.000 0.096 0.000 0.970 359 Q CA -0.233 55.645 55.803 0.126 0.000 0.919 359 Q CB 1.629 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 -0.421 108.425 108.800 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 -0.346 44.788 45.100 0.057 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.247 119.536 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.650 58.314 59.018 -0.090 0.000 2.260 361 C CB -0.018 27.704 27.740 -0.030 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.385 123.426 121.223 -0.302 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.109 53.470 54.840 -0.435 0.000 0.855 362 L CB -0.095 41.825 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.856 62.307 63.100 0.106 0.000 0.761 363 P CB 0.182 31.979 31.700 0.163 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.516 177.300 0.004 0.000 1.150 364 P CA 1.248 64.411 63.100 0.104 0.000 0.843 364 P CB -0.022 31.621 31.700 -0.095 0.000 0.787 365 F N -0.201 119.590 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.812 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.000 54.774 58.000 -0.376 0.000 1.135 365 F CB 1.048 39.741 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 1.000 178.273 177.300 -0.045 0.000 1.148 366 P CA 1.750 64.760 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 -1.033 121.614 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.657 178.350 177.584 0.182 0.000 1.153 367 A CA 0.725 52.759 52.037 -0.004 0.000 0.692 367 A CB -0.938 18.117 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.164 120.717 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.191 176.273 176.300 0.272 0.000 1.161 368 D CA 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.384 42.352 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.274 123.329 119.914 0.235 0.000 2.686 369 V HA 0.421 4.541 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 0.245 0.000 1.012 369 V CB 0.501 32.395 31.823 0.117 0.000 1.006 369 V HN 0.422 nan 8.190 nan 0.000 0.477 370 F N 2.530 122.569 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.454 175.426 175.800 0.134 0.000 1.060 370 F CA -1.349 56.731 58.000 0.134 0.000 0.940 370 F CB 1.939 41.025 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.277 122.916 119.600 0.066 0.000 2.264 371 M HA 0.525 5.004 4.480 -0.001 0.000 0.352 371 M C -1.336 174.961 176.300 -0.004 0.000 1.173 371 M CA -0.849 54.427 55.300 -0.039 0.000 1.075 371 M CB 1.537 34.163 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.362 127.199 119.914 -0.128 0.000 2.508 372 V HA 0.248 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.267 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.453 32.030 31.823 -0.410 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.427 177.300 -0.500 0.000 1.215 373 P CA -0.143 62.708 63.100 -0.415 0.000 0.780 373 P CB 0.469 31.733 31.700 -0.727 0.000 0.898 374 Q N 1.284 120.764 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.019 0.000 0.915 374 Q CA -0.703 54.709 55.803 -0.651 0.000 0.900 374 Q CB 0.494 28.482 28.738 -1.251 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.467 121.766 120.300 -0.001 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 0.141 58.259 58.100 0.030 0.000 1.165 375 Y CB 1.226 39.712 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.064 113.500 108.800 -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 -2.295 172.299 174.900 -0.509 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.744 nan 8.290 nan 0.000 0.492 377 Y N -1.066 119.032 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.176 174.736 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.297 58.100 -0.184 0.000 1.049 377 Y CB 1.538 39.918 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.009 123.366 121.223 0.223 0.000 2.334 378 L HA 0.733 5.072 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 54.360 54.840 0.214 0.000 0.816 378 L CB 2.407 44.587 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.343 115.101 114.554 0.339 0.000 2.688 379 T HA 0.451 4.801 4.350 -0.001 0.000 0.249 379 T C -0.888 173.991 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.883 70.032 68.868 0.469 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.976 124.358 121.223 0.265 0.000 2.350 380 L HA 0.577 4.917 4.340 -0.001 0.000 0.275 380 L C -0.574 176.385 176.870 0.149 0.000 1.099 380 L CA -0.363 54.588 54.840 0.185 0.000 0.808 380 L CB 0.125 42.270 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.282 120.048 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.378 174.137 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.942 39.502 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.099 119.760 118.700 -0.064 0.000 2.816 382 N HA 0.436 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.069 0.000 0.902 382 N CB 0.047 38.489 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.337 111.052 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.347 0.000 1.146 383 G CA 0.520 45.366 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.259 115.714 115.700 -0.409 0.000 2.528 384 S HA 0.301 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.603 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.441 58.200 -0.099 0.000 0.914 384 S CB 0.234 63.427 63.200 -0.011 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -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 -0.483 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.170 29.771 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.366 122.778 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.688 176.709 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.462 119.348 119.914 -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 1.251 33.058 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 1.156 176.067 174.900 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 0.901 121.420 120.500 0.031 0.000 2.363 389 R HA 0.215 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.196 30.528 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.361 116.118 115.700 0.095 0.000 2.584 390 S HA 0.219 4.689 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 2.315 118.119 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.920 173.625 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.478 63.567 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.040 123.744 119.950 -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 -1.462 56.291 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 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.070 175.455 175.900 -0.624 0.000 0.958 393 Y CA -0.858 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.407 39.675 38.460 -0.320 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.785 124.815 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.994 176.051 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.804 26.666 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.408 125.757 121.223 0.209 0.000 2.554 395 L HA 0.149 4.489 4.340 -0.001 0.000 0.226 395 L C 2.261 179.186 176.870 0.092 0.000 1.137 395 L CA 1.257 56.084 54.840 -0.023 0.000 0.863 395 L CB -0.439 41.163 42.059 -0.762 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.550 118.851 120.200 0.335 0.000 2.435 396 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 396 E C 1.158 177.872 176.600 0.189 0.000 1.029 396 E CA 0.500 57.096 56.400 0.327 0.000 0.865 396 E CB -0.094 29.811 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.137 120.156 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.275 175.900 -0.386 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.004 38.320 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.998 120.698 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.171 173.285 175.800 -0.572 0.000 1.103 398 F CA -3.138 54.472 58.000 -0.651 0.000 0.949 398 F CB 0.902 39.169 39.000 -1.223 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.054 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.051 62.955 63.100 -0.156 0.000 0.763 399 P CB 0.568 32.200 31.700 -0.114 0.000 0.806 400 S N 1.698 117.394 115.700 -0.007 0.000 2.548 400 S HA 0.397 4.866 4.470 -0.001 0.000 0.286 400 S C -0.829 173.874 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.620 64.978 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.874 121.807 119.800 0.223 0.000 2.288 401 Q HA 0.392 4.732 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 -0.171 55.759 55.803 0.211 0.000 0.919 401 Q CB 0.508 29.435 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.483 124.166 119.600 0.138 0.000 2.209 402 M HA 0.331 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.146 176.300 0.111 0.000 1.171 402 M CA -0.717 54.650 55.300 0.111 0.000 1.069 402 M CB 0.952 33.600 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.842 124.130 121.223 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 54.573 54.840 0.115 0.000 0.820 403 L CB 1.703 43.855 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.033 120.512 120.500 0.076 0.000 2.602 404 R HA 0.656 4.995 4.340 -0.001 0.000 0.237 404 R C -0.469 175.867 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 56.100 0.055 0.000 1.121 404 R CB 0.955 31.280 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.627 115.205 114.554 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 0.633 69.508 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.712 112.552 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.463 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 0.109 175.716 175.510 0.162 0.000 1.227 407 N CA 0.390 53.510 53.050 0.117 0.000 0.963 407 N CB 0.888 39.446 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.674 118.135 118.700 0.182 0.000 2.934 408 N HA 0.384 5.123 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.289 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.294 39.909 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.123 120.161 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.742 175.146 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.041 41.139 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.090 124.530 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.047 173.717 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.345 0.000 0.820 410 Q CB 2.131 30.750 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.657 120.469 119.950 -0.229 0.000 2.669 411 F HA 0.582 5.109 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.492 40.533 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.591 119.797 115.700 -0.822 0.000 2.536 412 S HA 0.609 5.079 4.470 -0.001 0.000 0.287 412 S C -2.045 172.078 174.600 -0.794 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.631 0.000 0.950 412 S CB 1.994 64.989 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.983 120.893 120.300 -0.650 0.000 2.534 413 Y HA 0.613 5.162 4.550 -0.001 0.000 0.345 413 Y C -1.109 174.549 175.900 -0.403 0.000 1.031 413 Y CA -0.387 57.380 58.100 -0.555 0.000 1.022 413 Y CB 1.783 39.919 38.460 -0.542 0.000 1.292 413 Y HN 0.550 nan 8.280 nan 0.000 0.459 414 T N 6.533 120.374 114.554 -1.189 0.000 2.815 414 T HA 0.410 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.204 174.700 -1.127 0.000 1.000 414 T CA -0.402 61.192 62.100 -0.843 0.000 0.958 414 T CB 0.094 68.675 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.147 119.950 -0.658 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.147 175.800 -0.306 0.000 1.178 415 F CA -0.458 57.316 58.000 -0.378 0.000 1.301 415 F CB 0.572 39.424 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.154 120.046 120.200 -0.001 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -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 0.637 121.008 120.400 -0.048 0.000 2.348 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.259 417 D C -1.135 175.138 176.300 -0.046 0.000 1.296 417 D CA 0.200 54.163 54.000 -0.062 0.000 0.931 417 D CB 0.983 41.755 40.800 -0.047 0.000 1.067 417 D HN 0.218 nan 8.370 nan 0.000 0.503 418 V N 4.421 124.293 119.914 -0.071 0.000 2.577 418 V HA 0.444 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.634 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.916 62.300 0.001 0.000 0.872 418 V CB 2.050 33.923 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.076 nan 4.420 nan 0.000 0.266 419 P C -0.522 176.870 177.300 0.155 0.000 1.186 419 P CA 0.333 63.481 63.100 0.080 0.000 0.767 419 P CB 0.101 31.855 31.700 0.090 0.000 0.820 420 F N 0.825 120.874 119.950 0.164 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.786 177.668 175.800 0.136 0.000 1.147 420 F CA 0.481 58.593 58.000 0.186 0.000 1.341 420 F CB -0.055 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 0.890 120.031 119.070 0.119 0.000 2.679 421 H HA 0.199 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.964 175.328 0.006 0.000 1.178 421 H CA -0.436 55.525 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.132 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.423 117.556 115.700 -0.945 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.125 174.419 174.600 -0.510 0.000 1.120 422 S CA -0.401 57.417 58.200 -0.636 0.000 1.067 422 S CB 0.303 62.965 63.200 -0.896 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.955 118.666 115.700 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 0.132 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.508 62.863 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.711 118.467 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -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 38.801 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.083 123.749 122.820 -0.256 0.000 2.414 425 A HA 0.539 4.859 4.320 -0.001 0.000 0.306 425 A C -1.504 175.960 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.682 19.588 19.000 -0.155 0.000 1.267 425 A HN 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.805 120.852 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.678 4.556 -0.001 0.000 0.341 426 H C 1.362 176.686 175.328 -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 0.784 nan 8.280 nan 0.000 0.572 427 S N 2.208 117.978 115.700 0.118 0.000 2.558 427 S HA 0.039 4.508 4.470 -0.001 0.000 0.217 427 S C 0.582 175.223 174.600 0.069 0.000 0.975 427 S CA -0.086 58.159 58.200 0.076 0.000 0.912 427 S CB 0.487 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 0.386 120.232 119.800 0.077 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.131 174.886 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.903 30.656 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.373 115.332 115.700 0.008 0.000 2.526 429 S HA 0.325 4.795 4.470 -0.001 0.000 0.293 429 S C 0.687 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.633 58.200 -0.003 0.000 0.980 429 S CB 0.876 64.078 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.302 123.516 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.172 4.340 -0.001 0.000 0.213 430 L C 1.919 178.808 176.870 0.030 0.000 1.085 430 L CA 2.069 56.917 54.840 0.015 0.000 0.760 430 L CB -0.225 41.850 42.059 0.025 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.633 118.770 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 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 0.131 54.126 54.000 -0.008 0.000 0.875 431 D CB 0.030 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 1.172 121.670 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.558 176.861 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.444 30.744 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.480 121.709 121.223 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 -0.878 118.722 119.600 -0.001 0.000 2.116 434 M HA 0.270 4.749 4.480 -0.001 0.000 0.235 434 M C 0.417 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.372 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.804 31.774 32.600 -0.036 0.000 1.313 434 M HN -0.141 nan 8.290 nan 0.000 0.530 435 N N 0.764 119.456 118.700 -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 -1.705 51.340 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 -0.019 nan 4.420 nan 0.000 0.225 436 P C 0.813 178.109 177.300 -0.007 0.000 1.148 436 P CA 0.641 63.737 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.122 119.098 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.480 4.340 -0.001 0.000 0.219 437 L C 1.021 177.889 176.870 -0.003 0.000 1.071 437 L CA 0.685 55.523 54.840 -0.003 0.000 0.850 437 L CB -0.285 41.774 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.681 119.885 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 4.170 -0.001 0.000 0.305 438 I C -0.527 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.840 60.457 61.300 -0.006 0.000 1.148 438 I CB 1.290 39.291 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.947 123.335 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 439 D C 0.190 176.451 176.300 -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 0.133 119.863 119.800 -0.118 0.000 2.500 440 Q HA 0.164 4.504 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 -0.215 55.458 55.803 -0.217 0.000 0.996 440 Q CB 0.462 29.041 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.017 118.248 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.186 175.706 175.900 -0.013 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.981 122.159 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.049 0.000 1.057 442 L CA -1.044 53.825 54.840 0.049 0.000 0.803 442 L CB 1.089 43.127 42.059 -0.035 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 -0.411 175.576 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.852 40.292 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.435 120.884 120.300 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 -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.148 39.670 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.247 124.722 121.223 0.420 0.000 2.257 445 L HA 0.410 4.750 4.340 -0.001 0.000 0.290 445 L C -0.034 176.916 176.870 0.133 0.000 1.044 445 L CA -0.079 54.845 54.840 0.140 0.000 0.810 445 L CB 0.588 42.702 42.059 0.091 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.576 121.279 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.453 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.049 121.488 120.500 -0.102 0.000 2.476 447 R HA 0.258 4.597 4.340 -0.001 0.000 0.305 447 R C 0.072 176.287 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.489 31.729 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.545 112.955 114.554 -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 0.490 62.538 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.067 120.836 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.699 4.340 -0.001 0.000 0.242 449 Q C 1.510 177.487 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.491 28.230 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.741 110.520 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.232 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.232 3.960 -0.001 0.000 0.269 450 G C -0.420 174.460 174.900 -0.032 0.000 1.069 450 G CA 0.855 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.273 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.672 175.361 174.700 -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 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.855 117.400 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.470 4.350 -0.001 0.000 0.239 452 T C 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.652 68.211 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.613 118.307 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.246 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.159 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.010 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.009 110.804 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.222 174.674 174.900 -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 1.581 116.131 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.285 174.982 174.700 -0.006 0.000 0.995 455 T CA 0.556 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.253 70.118 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.278 117.829 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.160 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.678 120.373 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.288 39.768 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.278 120.070 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.843 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.659 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.644 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.563 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.178 58.200 -0.027 0.000 0.827 459 S CB 3.083 66.269 63.200 -0.025 0.000 1.130 459 S HN 0.423 nan 8.310 nan 0.000 0.467 460 R N 0.215 120.686 120.500 -0.048 0.000 2.687 460 R HA 0.415 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.135 126.285 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.675 175.946 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.850 42.817 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.668 124.561 121.223 -0.549 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.561 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.965 43.905 42.059 -0.199 0.000 1.284 462 L HN 0.304 nan 8.230 nan 0.000 0.418 463 F N 0.301 120.215 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.317 176.068 175.800 -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 1.565 117.158 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.826 173.511 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.665 64.617 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.384 121.965 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.178 175.701 176.000 -0.201 0.000 0.941 465 Q CA -0.707 54.652 55.803 -0.740 0.000 0.912 465 Q CB 0.788 28.968 28.738 -0.930 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.164 125.960 122.820 -0.041 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.003 0.000 1.053 466 A CA 0.764 52.872 52.037 0.119 0.000 0.755 466 A CB 0.039 19.049 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.146 109.964 108.800 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 -2.376 172.517 174.900 -0.011 0.000 1.341 467 G CA -1.166 43.933 45.100 -0.001 0.000 0.916 467 G HN 0.301 nan 8.290 nan 0.000 0.474 468 P HA -0.107 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.869 177.300 -0.012 0.000 1.145 468 P CA 1.117 64.207 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.026 31.700 -0.011 0.000 0.775 469 Q N -0.250 119.548 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.333 177.332 176.000 -0.001 0.000 0.976 469 Q CA 1.556 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 0.338 116.043 115.700 0.009 0.000 3.864 470 S HA 0.129 4.599 4.470 -0.001 0.000 0.202 470 S C 0.995 175.546 174.600 -0.081 0.000 1.402 470 S CA -0.204 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.178 63.050 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.109 121.672 119.600 -0.062 0.000 2.319 471 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 471 M C 1.637 177.884 176.300 -0.090 0.000 1.068 471 M CA 1.354 56.614 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.533 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.143 114.497 115.700 -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 -0.544 57.591 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 -0.230 120.845 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.634 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.231 54.356 54.840 -0.422 0.000 0.930 473 L CB 0.095 41.748 42.059 -0.676 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.352 120.964 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.508 176.410 176.000 -0.164 0.000 1.059 474 Q CA -0.093 55.580 55.803 -0.218 0.000 0.923 474 Q CB 0.835 29.485 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.076 124.823 122.820 -0.122 0.000 2.531 475 A HA 0.155 4.474 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 19.228 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.325 120.751 120.500 -0.123 0.000 2.892 476 R HA 0.484 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 55.410 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 -0.451 118.027 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.993 175.510 -0.914 0.000 1.117 477 N CA 0.345 52.926 53.050 -0.782 0.000 0.883 477 N CB 0.474 38.270 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.168 121.470 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.610 175.925 176.519 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 1.946 123.362 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.102 174.895 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.577 42.767 42.059 0.219 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 -0.067 177.380 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.159 0.000 0.793 480 P CB 0.442 32.178 31.700 0.061 0.000 1.074 481 G N 0.588 109.533 108.800 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 0.080 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 -0.041 177.200 177.300 -0.099 0.000 1.260 482 P CA -0.114 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.832 32.317 31.700 -0.357 0.000 1.048 483 C N -0.809 118.420 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 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 0.004 0.000 1.371 483 C CB 0.696 28.502 27.740 0.111 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.925 122.196 120.300 -0.049 0.000 2.484 484 Y HA 0.483 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.310 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.765 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.691 124.104 120.500 -0.146 0.000 2.500 485 R HA -0.000 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.076 0.000 0.953 485 R CA 0.785 56.829 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 0.613 nan 8.270 nan 0.000 0.410 486 Q N 2.159 121.940 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 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 -0.856 54.914 55.803 -0.055 0.000 0.885 486 Q CB 1.626 30.319 28.738 -0.076 0.000 1.311 486 Q HN 0.505 nan 8.270 nan 0.000 0.461 487 Q N 1.139 120.895 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.160 55.945 55.803 -0.031 0.000 0.882 487 Q CB 0.764 29.541 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.003 123.477 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.096 176.300 -0.029 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.599 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.776 122.888 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.250 176.514 176.870 -0.176 0.000 1.009 489 L CA -0.184 54.485 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.833 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.096 115.762 115.700 -0.057 0.000 2.537 490 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.522 58.200 -0.182 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.111 121.516 120.400 0.008 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.802 176.600 0.013 0.000 1.048 491 K CA 0.731 57.070 56.287 0.086 0.000 0.966 491 K CB -0.203 32.317 32.500 0.034 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.752 116.277 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.495 175.195 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.715 62.100 -0.033 0.000 1.066 492 T CB 1.296 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 3.938 126.769 122.820 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 0.036 0.000 1.402 493 A CA -0.084 51.975 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.014 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.852 121.276 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.095 176.445 176.300 0.083 0.000 0.973 495 D CA 0.537 54.577 54.000 0.065 0.000 0.874 495 D CB 0.052 40.898 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.060 119.812 118.700 0.086 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.614 175.510 0.060 0.000 1.205 496 N CA -0.332 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 -0.004 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.165 175.365 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.141 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 1.635 120.349 118.700 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 -0.276 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 0.032 115.807 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.603 64.859 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.741 119.596 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.601 175.064 175.510 0.257 0.000 1.027 500 N CA -1.037 52.141 53.050 0.212 0.000 0.920 500 N CB -0.285 38.268 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.165 121.156 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.841 174.023 175.800 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 39.688 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.186 177.300 0.178 0.000 1.197 502 P CA 1.108 64.162 63.100 -0.078 0.000 0.765 502 P CB -0.053 31.614 31.700 -0.056 0.000 0.936 503 W N -0.284 121.021 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.909 177.462 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.116 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.484 114.130 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.049 174.700 -0.008 0.000 1.111 504 T CA 1.129 63.226 62.100 -0.005 0.000 1.118 504 T CB 0.043 68.986 68.868 0.126 0.000 0.909 504 T HN 0.087 nan 8.240 nan 0.000 0.501 505 A N 0.234 123.108 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.996 178.645 177.584 0.108 0.000 1.202 505 A CA -0.075 52.036 52.037 0.124 0.000 0.959 505 A CB 0.097 19.263 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.846 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.996 177.584 0.061 0.000 1.108 506 A CA -0.246 51.855 52.037 0.106 0.000 0.830 506 A CB 0.382 19.527 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 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.007 174.736 174.600 0.216 0.000 1.321 507 S CA -0.218 58.101 58.200 0.198 0.000 1.054 507 S CB 0.171 63.551 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.141 121.646 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 4.320 -0.001 0.000 0.289 508 K C -1.610 175.076 176.600 0.144 0.000 1.028 508 K CA -1.050 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.674 118.651 120.300 0.041 0.000 2.638 509 Y HA 0.621 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 57.074 58.100 0.059 0.000 1.068 509 Y CB 1.642 40.085 38.460 -0.028 0.000 1.294 509 Y HN 0.750 nan 8.280 nan 0.000 0.480 510 H N 1.952 121.176 119.070 0.256 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.367 173.099 175.328 0.229 0.000 1.042 510 H CA -1.048 55.092 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 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.176 125.484 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.646 54.234 54.840 0.065 0.000 0.819 511 L CB 1.073 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.922 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.767 37.782 38.487 0.103 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.003 109.015 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.593 45.873 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.399 121.066 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.116 175.295 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.792 31.193 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 0.809 54.876 54.000 0.112 0.000 0.881 515 D CB 1.542 42.433 40.800 0.151 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 1.812 64.573 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.054 125.186 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.647 4.340 -0.001 0.000 0.274 517 L C -0.240 176.574 176.870 -0.093 0.000 1.135 517 L CA 0.179 54.943 54.840 -0.127 0.000 0.870 517 L CB 0.527 42.532 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.793 119.914 0.022 0.000 2.070 518 V HA -0.003 4.116 4.120 -0.001 0.000 0.239 518 V C 1.370 177.558 176.094 0.156 0.000 1.472 518 V CA 0.121 62.517 62.300 0.159 0.000 1.453 518 V CB -0.960 30.979 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.275 123.988 118.700 0.022 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.076 54.151 53.050 0.041 0.000 0.860 519 N CB -0.434 38.025 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 62.841 63.100 0.147 0.000 0.799 520 P CB 1.219 32.985 31.700 0.110 0.000 0.917 521 G N 4.837 113.719 108.800 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 -2.418 172.518 174.900 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 -0.152 177.171 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.984 31.700 -0.061 0.000 0.858 523 A N 3.469 126.316 122.820 0.045 0.000 2.496 523 A HA 0.307 4.627 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 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 18.044 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.248 121.896 119.600 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 -0.433 54.911 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 0.679 nan 8.290 nan 0.000 0.453 525 A N 1.106 123.954 122.820 0.047 0.000 2.445 525 A HA 0.329 4.648 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 -0.171 51.877 52.037 0.018 0.000 0.777 525 A CB 0.219 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.936 nan 8.150 nan 0.000 0.493 526 S N 0.461 116.182 115.700 0.035 0.000 2.395 526 S HA 0.039 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.281 59.567 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.251 119.385 119.070 0.107 0.000 3.037 527 H HA 0.498 5.054 4.556 -0.001 0.000 0.355 527 H C -1.214 174.159 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.973 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 0.774 121.272 120.400 0.162 0.000 2.179 528 K HA 0.224 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 0.652 33.181 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.269 121.729 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.423 175.954 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 54.000 0.111 0.000 0.878 529 D CB 0.071 40.908 40.800 0.061 0.000 1.198 529 D HN 0.568 nan 8.370 nan 0.000 0.446 530 D N 1.467 121.942 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.446 40.396 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.721 119.556 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.646 177.204 176.600 -0.071 0.000 1.260 531 E CA -0.084 56.385 56.400 0.115 0.000 1.240 531 E CB 0.407 30.258 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.756 120.713 120.200 -0.406 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.154 176.600 -0.360 0.000 0.729 532 E CA 1.787 57.718 56.400 -0.781 0.000 1.222 532 E CB -1.044 28.457 29.700 -0.332 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.223 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.134 176.594 176.600 -0.233 0.000 1.103 533 K CA 0.115 56.261 56.287 -0.236 0.000 0.986 533 K CB 0.262 32.554 32.500 -0.346 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.007 122.969 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.170 175.706 175.800 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.038 0.000 1.144 534 F CB 0.671 39.677 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 0.800 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.751 175.800 0.113 0.000 1.090 535 F CA -3.844 54.238 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 0.058 nan 4.420 nan 0.000 0.268 536 P C -0.269 176.990 177.300 -0.068 0.000 1.204 536 P CA -0.212 62.884 63.100 -0.007 0.000 0.768 536 P CB 0.639 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 -0.073 4.407 4.480 -0.001 0.000 0.356 537 M C 1.083 177.095 176.300 -0.480 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.406 31.038 32.600 -0.260 0.000 2.102 537 M HN 0.604 nan 8.290 nan 0.000 0.463 538 H N 0.847 120.035 119.070 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 0.584 56.722 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.920 109.756 108.800 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 0.147 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 -1.616 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.940 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 0.397 121.598 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.017 176.647 176.870 -0.401 0.000 1.124 541 L CA -0.043 54.665 54.840 -0.220 0.000 0.816 541 L CB 0.319 42.232 42.059 -0.243 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.792 123.063 120.570 -0.497 0.000 2.499 542 I HA 0.358 4.528 4.170 -0.001 0.000 0.288 542 I C -0.998 174.807 176.117 -0.519 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.477 39.340 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.913 122.815 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.991 176.757 175.800 -0.058 0.000 1.104 543 F CA -0.737 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.852 40.823 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.752 111.637 108.800 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 -0.502 174.419 174.900 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 0.697 121.094 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.547 33.013 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.536 120.694 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.059 0.000 0.911 546 E CB 0.114 29.758 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.686 112.472 108.800 -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 0.094 45.182 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.404 115.951 114.554 -0.012 0.000 3.578 548 T HA 0.459 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 1.178 70.036 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.629 176.323 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.372 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.336 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.514 125.329 122.820 -0.008 0.000 2.206 550 A HA 0.220 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 0.260 52.291 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 0.143 115.832 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.703 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.303 62.884 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.265 120.951 118.700 -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 1.209 124.018 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.322 177.894 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.479 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.496 nan 8.150 nan 0.000 0.490 554 E N 0.123 120.311 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.884 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.174 56.214 56.400 -0.020 0.000 0.929 554 E CB 0.574 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.433 123.640 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.799 56.612 54.840 -0.044 0.000 0.782 555 L CB -0.092 41.950 42.059 -0.030 0.000 0.914 555 L HN 0.550 nan 8.230 nan 0.000 0.441 556 D N -0.707 119.669 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.919 177.192 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.007 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 0.052 118.725 118.700 -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 1.611 40.078 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.114 117.770 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.373 175.687 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.291 62.300 -0.051 0.000 1.026 558 V CB 2.445 34.225 31.823 -0.072 0.000 1.080 558 V HN -0.184 nan 8.190 nan 0.000 0.444 559 M N 2.845 122.426 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.249 176.300 -0.056 0.000 0.947 559 M CA -0.134 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.673 34.299 32.600 0.043 0.000 1.504 559 M HN 0.553 nan 8.290 nan 0.000 0.420 560 I N 2.357 122.854 120.570 -0.122 0.000 2.428 560 I HA 0.369 4.538 4.170 -0.001 0.000 0.296 560 I C 0.589 176.643 176.117 -0.104 0.000 0.985 560 I CA -0.679 60.513 61.300 -0.179 0.000 1.260 560 I CB 1.796 39.596 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.300 114.787 114.554 -0.111 0.000 2.767 561 T HA 0.307 4.657 4.350 -0.001 0.000 0.288 561 T C -0.553 174.182 174.700 0.059 0.000 0.963 561 T CA -0.848 61.201 62.100 -0.085 0.000 1.019 561 T CB 1.464 70.163 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.170 122.649 120.400 0.131 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.087 176.338 176.300 0.207 0.000 1.104 562 D CA -0.421 53.697 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 3.264 123.568 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.071 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.328 30.111 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.356 119.846 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.869 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.376 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.084 121.265 120.200 -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 0.415 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.112 29.763 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.889 118.666 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.038 177.166 176.117 0.019 0.000 1.359 566 I CA -0.124 61.180 61.300 0.006 0.000 1.142 566 I CB 0.112 38.125 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.494 121.990 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.995 178.298 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.364 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 -3.821 110.747 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.386 174.700 0.009 0.000 1.094 568 T CA 0.938 63.050 62.100 0.020 0.000 1.088 568 T CB 0.379 69.272 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.593 112.983 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.323 175.079 174.700 0.093 0.000 0.982 569 T CA -0.474 61.654 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 2.180 120.930 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.781 40.328 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.698 176.626 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 63.100 0.041 0.000 0.788 571 P CB 0.560 32.334 31.700 0.125 0.000 0.949 572 V N 1.384 121.309 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.636 177.751 176.094 0.034 0.000 1.049 572 V CA 0.438 62.750 62.300 0.019 0.000 1.038 572 V CB 0.234 32.059 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.798 126.644 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.324 54.387 52.037 0.044 0.000 0.623 573 A CB -0.709 18.325 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.563 111.994 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.428 62.510 62.100 -0.029 0.000 1.135 574 T CB -0.161 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.392 122.574 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.146 176.600 -0.019 0.000 1.213 575 E CA -0.321 56.056 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 -0.331 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.690 176.000 0.059 0.000 1.134 576 Q CA 0.045 55.854 55.803 0.010 0.000 1.193 576 Q CB 0.164 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 -1.291 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.412 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 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.833 39.273 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.636 108.800 0.048 0.000 2.588 578 G HA2 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.364 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 0.178 114.749 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.854 173.866 174.700 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 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.164 122.097 119.914 0.031 0.000 2.628 580 V HA 0.852 4.971 4.120 -0.001 0.000 0.306 580 V C 0.347 176.450 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.729 33.569 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.158 125.987 122.820 0.015 0.000 2.322 581 A HA 0.677 4.997 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.381 51.662 52.037 0.011 0.000 0.807 581 A CB 0.181 19.189 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.135 119.838 118.700 0.005 0.000 2.604 582 N HA 0.122 4.861 4.740 -0.001 0.000 0.284 582 N C -1.199 174.312 175.510 0.003 0.000 1.716 582 N CA -0.418 52.634 53.050 0.003 0.000 0.859 582 N CB 0.110 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 0.202 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 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.632 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.117 176.991 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.510 42.573 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.009 121.813 119.800 0.006 0.000 2.349 585 Q HA 0.409 4.748 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 -0.007 55.799 55.803 0.004 0.000 0.918 585 Q CB 1.141 29.882 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.466 116.168 115.700 0.002 0.000 2.757 586 S HA 0.429 4.898 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 1.225 116.924 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 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 1.536 120.235 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.054 175.455 175.510 -0.002 0.000 1.016 588 N CA 0.925 53.974 53.050 -0.001 0.000 0.876 588 N CB -0.135 38.352 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.415 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.343 174.356 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.292 62.100 -0.001 0.000 0.970 589 T CB 2.417 71.285 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.946 127.764 122.820 -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 -1.661 50.374 52.037 -0.003 0.000 0.818 590 A CB -0.262 18.736 19.000 -0.004 0.000 1.087 590 A HN 0.579 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.318 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.556 63.656 63.100 -0.000 0.000 0.761 591 P CB 0.272 31.973 31.700 0.001 0.000 0.785 592 T N 2.565 117.119 114.554 -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 0.958 69.824 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.355 117.907 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.229 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.116 69.981 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.288 122.787 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.462 176.300 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 31.756 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.379 117.930 114.554 -0.005 0.000 2.779 595 T HA 0.066 4.416 4.350 -0.001 0.000 0.296 595 T C -0.170 174.533 174.700 0.006 0.000 0.938 595 T CA -0.032 62.068 62.100 0.000 0.000 1.119 595 T CB 0.646 69.506 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.848 125.783 119.914 0.036 0.000 2.408 596 V HA 0.271 4.391 4.120 -0.001 0.000 0.267 596 V C 0.604 176.718 176.094 0.033 0.000 1.047 596 V CA -0.342 61.978 62.300 0.034 0.000 0.937 596 V CB 0.457 32.325 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 597 N C -0.417 175.015 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.614 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.962 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.527 42.224 40.800 -0.170 0.000 1.462 598 D HN -0.255 nan 8.370 nan 0.000 0.559 599 Q N 2.586 122.207 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.097 175.918 176.000 -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 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.996 110.660 108.800 -0.226 0.000 2.441 600 G HA2 0.489 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.489 4.449 3.960 -0.001 0.000 0.258 600 G C -0.675 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.268 121.405 122.820 -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 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.787 19.594 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.101 123.351 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.535 174.433 176.870 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 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.102 177.300 0.204 0.000 1.199 603 P CA 0.678 63.882 63.100 0.175 0.000 0.763 603 P CB 0.725 32.503 31.700 0.130 0.000 0.790 604 G N 2.480 111.446 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.209 604 G C 0.223 175.362 174.900 0.397 0.000 0.997 604 G CA -0.530 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.507 121.303 119.600 0.327 0.000 2.239 605 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 605 M C 0.697 177.216 176.300 0.365 0.000 1.239 605 M CA 0.217 55.729 55.300 0.353 0.000 1.114 605 M CB 1.274 34.086 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.214 121.309 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.532 174.744 176.094 0.303 0.000 1.099 606 V CA -0.653 61.710 62.300 0.105 0.000 0.971 606 V CB 1.860 33.581 31.823 -0.171 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.511 122.771 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.298 175.194 176.519 -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 1.171 121.094 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.083 175.039 176.000 0.203 0.000 1.051 608 Q CA -0.318 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.723 30.466 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.125 120.583 120.400 0.097 0.000 2.440 609 D HA 0.365 5.004 4.640 -0.001 0.000 0.258 609 D C -0.461 175.907 176.300 0.115 0.000 1.092 609 D CA -0.513 53.588 54.000 0.168 0.000 1.016 609 D CB 0.849 41.755 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.563 121.154 120.500 0.151 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 0.070 56.260 56.100 0.149 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 0.451 120.904 120.400 0.090 0.000 2.371 611 D HA 0.171 4.810 4.640 -0.001 0.000 0.242 611 D C -0.639 175.498 176.300 -0.272 0.000 1.218 611 D CA -0.190 53.785 54.000 -0.043 0.000 0.945 611 D CB 0.936 41.598 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.414 119.228 119.914 -0.453 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 61.341 62.300 -0.385 0.000 0.928 612 V CB 1.100 32.691 31.823 -0.387 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.337 122.705 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.473 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.196 58.100 0.007 0.000 1.089 613 Y CB 1.790 40.310 38.460 0.100 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.601 122.370 121.223 -0.757 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 2.071 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.217 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.213 118.462 119.800 -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 0.349 56.168 55.803 0.028 0.000 1.032 615 Q CB -0.324 28.349 28.738 -0.107 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 4.477 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.477 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 43.974 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 0.457 177.803 177.300 0.076 0.000 1.223 617 P CA -0.239 62.906 63.100 0.074 0.000 0.784 617 P CB 1.134 32.872 31.700 0.065 0.000 0.923 618 I N -0.516 119.936 120.570 -0.196 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.726 177.080 176.117 0.395 0.000 1.082 618 I CA 0.634 61.885 61.300 -0.082 0.000 1.447 618 I CB -0.381 37.561 38.000 -0.097 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.056 122.510 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.184 175.466 176.519 0.219 0.000 1.190 619 W CA -1.203 56.321 57.345 0.298 0.000 1.011 619 W CB 0.819 30.477 29.460 0.331 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.334 124.449 122.820 0.491 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.412 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.333 0.000 0.710 620 A CB 1.391 20.502 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.300 122.825 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.655 175.912 176.600 -0.055 0.000 1.027 621 K CA -0.047 56.183 56.287 -0.094 0.000 0.989 621 K CB 0.146 32.403 32.500 -0.405 0.000 0.935 621 K HN 0.579 nan 8.250 nan 0.000 0.475 622 I N 7.756 128.241 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.284 58.921 61.300 -0.157 0.000 1.351 622 I CB 0.935 38.761 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 -0.515 176.859 177.300 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 2.472 121.563 119.070 0.036 0.000 3.216 624 H HA 0.239 4.795 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.504 29.262 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.459 114.110 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.294 70.141 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.457 120.747 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.094 54.979 54.000 -0.192 0.000 0.852 626 D CB -0.220 40.521 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.720 107.831 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.108 173.447 174.900 -0.576 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 0.970 120.064 119.070 0.039 0.000 2.949 628 H HA 0.552 5.108 4.556 -0.001 0.000 0.356 628 H C -0.676 174.755 175.328 0.171 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.361 32.137 29.762 0.023 0.000 1.869 628 H HN 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.103 120.156 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.509 176.453 175.800 0.240 0.000 1.010 629 F CA 0.376 58.476 58.000 0.166 0.000 1.100 629 F CB 0.438 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.172 121.262 119.070 0.033 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.104 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.768 30.637 29.762 0.179 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.099 177.394 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.232 31.381 31.700 -0.146 0.000 1.490 632 S N 1.555 117.286 115.700 0.052 0.000 2.499 632 S HA 0.322 4.792 4.470 -0.001 0.000 0.275 632 S C -2.289 172.390 174.600 0.132 0.000 1.257 632 S CA -1.704 56.559 58.200 0.105 0.000 1.050 632 S CB -0.186 63.130 63.200 0.193 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 0.595 177.968 177.300 0.121 0.000 1.182 633 P CA 0.128 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.249 123.538 121.223 0.110 0.000 2.201 634 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 634 L C 2.017 178.957 176.870 0.115 0.000 1.105 634 L CA 1.365 56.271 54.840 0.111 0.000 0.775 634 L CB -0.474 41.637 42.059 0.087 0.000 0.913 634 L HN 0.471 nan 8.230 nan 0.000 0.440 635 M N -0.521 119.144 119.600 0.109 0.000 2.659 635 M HA 0.152 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.205 176.300 0.153 0.000 1.111 635 M CA 0.492 55.863 55.300 0.118 0.000 1.070 635 M CB -0.190 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 -0.203 108.681 108.800 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 -0.274 174.685 174.900 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 -1.031 107.763 108.800 -0.010 0.000 2.428 637 G HA2 0.389 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.348 3.960 -0.001 0.000 0.202 637 G C -0.446 174.331 174.900 -0.204 0.000 1.247 637 G CA 0.056 45.091 45.100 -0.108 0.000 1.020 637 G HN 1.723 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 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.225 0.000 1.044 638 F CB 2.067 41.212 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.881 113.848 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.016 173.956 174.900 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 2.933 124.208 121.223 0.087 0.000 2.362 640 L HA 0.372 4.711 4.340 -0.001 0.000 0.275 640 L C 1.073 177.840 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.332 44.419 42.059 0.046 0.000 1.270 640 L HN 0.435 nan 8.230 nan 0.000 0.415 641 K N 0.927 121.186 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.288 4.320 -0.001 0.000 0.207 641 K C 0.281 176.383 176.600 -0.830 0.000 1.049 641 K CA 1.298 57.291 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.267 119.168 119.070 -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 -0.127 0.000 1.346 642 H CA -2.122 53.701 56.048 -0.374 0.000 1.502 642 H CB 1.171 30.889 29.762 -0.074 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.435 0.000 1.261 643 P CA -1.878 61.046 63.100 -0.294 0.000 0.800 643 P CB 0.024 31.561 31.700 -0.271 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -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 -1.117 0.000 0.764 645 P HA 0.031 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 -0.039 63.014 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.272 31.700 -0.244 0.000 0.978 646 Q N 0.629 120.327 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 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 -0.284 55.326 55.803 -0.323 0.000 0.912 646 Q CB 0.216 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 3.042 123.343 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.507 175.377 176.117 -0.388 0.000 1.041 647 I CA -0.207 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.611 38.254 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.584 125.758 119.600 -0.710 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 -0.028 0.000 1.150 648 M CA -0.244 54.774 55.300 -0.469 0.000 1.147 648 M CB 1.200 33.168 32.600 -1.053 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.123 123.842 120.570 0.249 0.000 2.722 649 I HA 0.684 4.853 4.170 -0.001 0.000 0.292 649 I C -1.831 174.285 176.117 -0.002 0.000 1.267 649 I CA -0.294 61.085 61.300 0.132 0.000 1.036 649 I CB 1.639 39.628 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.965 124.217 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.905 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.702 32.579 32.500 -1.039 0.000 1.397 650 K HN 0.348 nan 8.250 nan 0.000 0.422 651 N N 1.302 119.906 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 651 N C -0.741 174.684 175.510 -0.142 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.914 39.401 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.654 118.125 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.496 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.698 61.292 62.100 -0.184 0.000 1.147 652 T CB 0.294 69.100 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 -0.919 176.207 177.300 -0.290 0.000 1.195 653 P CA -0.131 62.465 63.100 -0.839 0.000 0.762 653 P CB 0.343 31.434 31.700 -1.015 0.000 0.799 654 V N 7.065 126.927 119.914 -0.085 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.287 0.000 1.018 654 V CA -2.100 60.250 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 0.211 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 32.171 31.700 -0.504 0.000 0.838 656 A N 3.113 126.037 122.820 0.174 0.000 2.450 656 A HA 0.251 4.570 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.333 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.066 119.826 118.700 0.101 0.000 2.315 657 N HA 0.164 4.903 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.433 52.667 53.050 0.084 0.000 0.860 657 N CB 0.073 38.586 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.309 61.877 63.100 0.145 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 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.057 63.048 63.100 0.007 0.000 0.781 659 P CB 0.213 31.893 31.700 -0.034 0.000 0.906 660 T N -0.670 113.906 114.554 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 63.438 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 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.981 115.568 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.907 173.861 174.700 0.114 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.300 69.191 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.625 124.582 119.950 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 -0.318 57.693 58.000 0.018 0.000 1.195 662 F CB 0.355 39.368 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.581 122.892 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.684 172.410 174.600 -0.843 0.000 1.090 663 S CA -1.369 56.441 58.200 -0.650 0.000 1.089 663 S CB 1.286 64.293 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 -0.211 0.000 0.796 665 A N 0.872 123.587 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.026 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.507 19.000 -0.125 0.000 0.988 665 A HN 0.092 nan 8.150 nan 0.000 0.509 666 K N 0.837 121.239 120.400 0.003 0.000 2.524 666 K HA 0.012 4.331 4.320 -0.001 0.000 0.279 666 K C -0.729 175.904 176.600 0.057 0.000 0.993 666 K CA 0.257 56.588 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 3.018 122.973 119.950 0.007 0.000 2.467 667 F HA 0.216 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 0.605 58.550 58.000 -0.092 0.000 1.202 667 F CB 1.180 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.033 125.721 122.820 -0.220 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 -0.189 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.066 0.000 1.008 668 A CB -0.074 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.722 116.182 115.700 -0.400 0.000 2.411 669 S HA 0.639 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.511 174.600 -0.190 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.213 0.000 1.068 669 S CB -0.620 62.449 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 5.081 4.527 -0.001 0.000 0.324 670 F C 0.418 176.306 175.800 0.147 0.000 1.058 670 F CA -1.194 56.931 58.000 0.209 0.000 0.944 670 F CB 1.307 40.461 39.000 0.256 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.792 122.568 120.570 0.343 0.000 2.416 671 I HA 0.117 4.287 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.391 61.035 61.300 0.209 0.000 1.375 671 I CB 0.921 39.010 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 -0.366 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.907 69.819 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.055 121.923 119.800 0.112 0.000 2.527 673 Q HA 0.541 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.708 174.382 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.237 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 -1.023 119.257 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.791 175.099 175.900 -0.017 0.000 1.045 674 Y CA -0.720 57.355 58.100 -0.042 0.000 1.098 674 Y CB 1.978 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 0.341 116.022 115.700 -0.032 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.874 173.667 174.600 -0.097 0.000 1.094 675 S CA -0.451 57.692 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 -0.314 113.996 114.554 -0.407 0.000 2.932 676 T HA 0.762 5.111 4.350 -0.001 0.000 0.318 676 T C -0.325 173.674 174.700 -1.168 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.031 69.639 68.868 -0.433 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.127 109.775 108.800 -1.920 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 -1.987 172.225 174.900 -1.148 0.000 1.311 677 G CA -0.668 43.729 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.272 118.188 119.800 -0.568 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.221 176.000 -0.323 0.000 0.972 678 Q CA -0.706 54.813 55.803 -0.474 0.000 0.889 678 Q CB 2.397 30.731 28.738 -0.673 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.295 120.148 119.914 -0.102 0.000 2.709 679 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 679 V C -1.413 174.589 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.266 34.098 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.149 119.764 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.414 173.053 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 0.000 0.980 680 S CB 1.708 64.971 63.200 0.105 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.377 124.191 119.914 -0.166 0.000 2.524 681 V HA 0.477 4.597 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.347 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.014 4.350 -0.001 0.000 0.270 682 E C -1.458 175.089 176.600 -0.087 0.000 0.906 682 E CA -0.509 55.847 56.400 -0.074 0.000 0.761 682 E CB 1.465 31.102 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.393 123.901 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.238 175.670 176.117 -0.348 0.000 1.020 683 I CA -0.818 60.319 61.300 -0.271 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 5.388 125.333 120.200 -0.425 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 -0.449 0.000 0.969 684 E CA -0.615 55.609 56.400 -0.292 0.000 0.796 684 E CB 1.201 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 2.878 124.134 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.094 176.463 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.005 0.000 1.222 685 W CB 1.209 30.729 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.346 123.726 120.200 0.301 0.000 2.227 686 E HA 0.464 4.814 4.350 -0.001 0.000 0.282 686 E C -0.988 175.958 176.600 0.577 0.000 1.015 686 E CA -0.400 56.201 56.400 0.336 0.000 0.823 686 E CB 0.773 30.611 29.700 0.231 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.678 125.178 121.223 0.462 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 0.185 0.000 1.023 687 L CA -0.741 54.344 54.840 0.409 0.000 0.811 687 L CB 1.674 43.908 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.219 122.995 119.800 -0.041 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.112 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.332 0.000 0.887 688 Q CB 1.115 29.415 28.738 -0.730 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.331 122.637 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.384 4.320 -0.001 0.000 0.264 689 K C -0.159 176.145 176.600 -0.493 0.000 1.007 689 K CA -0.087 56.069 56.287 -0.217 0.000 0.941 689 K CB 0.926 33.320 32.500 -0.177 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.221 122.037 120.200 -0.639 0.000 2.316 690 E HA -0.033 4.316 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.004 0.000 1.029 690 E CA -0.005 55.606 56.400 -1.315 0.000 0.871 690 E CB 0.446 29.571 29.700 -0.958 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.983 118.700 -1.169 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.922 173.469 175.510 -0.198 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.475 0.000 0.780 691 N CB 0.961 39.277 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.034 116.643 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.802 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.700 64.027 63.200 0.211 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 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.266 176.949 176.600 0.137 0.000 1.025 693 K CA -0.250 56.094 56.287 0.095 0.000 1.135 693 K CB -0.061 32.494 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.984 121.565 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.470 176.300 0.168 0.000 0.998 694 R CA 0.247 56.440 56.100 0.154 0.000 1.056 694 R CB 0.039 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.808 127.127 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.256 176.276 176.519 0.022 0.000 1.191 695 W CA 0.948 58.306 57.345 0.021 0.000 1.327 695 W CB -0.112 29.358 29.460 0.018 0.000 1.128 695 W HN 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.943 120.757 118.700 0.190 0.000 2.503 696 N HA 0.147 4.887 4.740 -0.001 0.000 0.267 696 N C -2.739 172.778 175.510 0.011 0.000 1.214 696 N CA -1.301 51.799 53.050 0.083 0.000 0.959 696 N CB -0.394 38.189 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 -0.244 177.077 177.300 0.035 0.000 1.200 697 P CA 0.313 63.407 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 1.211 121.441 120.200 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 30.691 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.955 119.683 120.570 0.113 0.000 2.529 699 I HA 0.155 4.325 4.170 -0.001 0.000 0.284 699 I C -0.348 175.927 176.117 0.264 0.000 1.082 699 I CA -0.365 61.020 61.300 0.142 0.000 1.406 699 I CB 0.536 38.593 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.870 124.828 119.800 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 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.671 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.831 121.085 120.300 -0.077 0.000 2.346 701 Y HA 0.301 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.118 175.786 175.900 0.007 0.000 1.178 701 Y CA 0.848 58.906 58.100 -0.069 0.000 1.331 701 Y CB 0.971 39.168 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.609 117.798 114.554 -0.609 0.000 2.840 702 T HA 0.443 4.793 4.350 -0.001 0.000 0.317 702 T C -1.223 173.238 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.843 69.658 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.862 117.509 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.876 4.470 -0.001 0.000 0.271 703 S C 0.055 174.676 174.600 0.034 0.000 1.260 703 S CA -0.698 57.503 58.200 0.002 0.000 1.010 703 S CB 0.280 63.547 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.716 120.432 118.700 0.027 0.000 2.416 704 N HA 0.072 4.811 4.740 -0.001 0.000 0.265 704 N C 0.609 176.131 175.510 0.019 0.000 1.195 704 N CA -0.154 52.902 53.050 0.011 0.000 0.943 704 N CB 0.183 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.407 57.696 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.313 nan 8.280 nan 0.000 0.555 706 N N 2.827 121.157 118.700 -0.616 0.000 2.441 706 N HA -0.065 4.675 4.740 -0.001 0.000 0.251 706 N C -0.364 175.026 175.510 -0.200 0.000 1.242 706 N CA 0.002 52.749 53.050 -0.504 0.000 0.898 706 N CB 0.557 38.788 38.487 -0.428 0.000 1.100 706 N HN 0.368 nan 8.380 nan 0.000 0.443 707 K N 0.874 121.191 120.400 -0.138 0.000 2.437 707 K HA -0.035 4.284 4.320 -0.001 0.000 0.277 707 K C -0.222 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.420 56.666 56.287 -0.069 0.000 1.105 707 K CB 0.170 32.641 32.500 -0.048 0.000 0.881 707 K HN 0.442 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 0.351 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 64.747 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.709 122.604 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.720 176.799 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 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 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.747 117.933 118.700 -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 52.416 53.050 -0.033 0.000 0.931 710 N CB 2.061 40.515 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.395 121.307 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.069 176.042 176.094 0.028 0.000 1.051 711 V CA -0.396 61.922 62.300 0.030 0.000 1.010 711 V CB 0.824 32.685 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.250 124.690 120.400 0.068 0.000 2.493 712 D HA 0.184 4.824 4.640 -0.001 0.000 0.240 712 D C 0.109 176.542 176.300 0.223 0.000 1.142 712 D CA 0.595 54.636 54.000 0.069 0.000 0.872 712 D CB -0.050 40.876 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.321 176.148 175.800 0.045 0.000 1.048 713 F CA 0.343 58.288 58.000 -0.093 0.000 1.134 713 F CB -1.764 37.298 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.838 113.679 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.182 174.469 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.069 0.000 1.007 714 T CB 2.144 71.048 68.868 0.059 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.383 120.254 119.914 -0.071 0.000 2.953 715 V HA 0.706 4.826 4.120 -0.001 0.000 0.304 715 V C 0.037 176.083 176.094 -0.080 0.000 1.073 715 V CA -0.632 61.592 62.300 -0.127 0.000 1.064 715 V CB 0.649 32.371 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.998 121.352 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.932 4.640 -0.001 0.000 0.268 716 D C 1.420 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.006 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 -2.146 112.389 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.828 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.666 63.755 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.864 119.552 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.688 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.958 53.050 -0.013 0.000 0.878 718 N CB 0.081 38.560 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.019 108.808 108.800 -0.019 0.000 2.381 719 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.219 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.859 122.740 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.040 176.004 176.094 -0.083 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.517 33.317 31.823 -0.040 0.000 1.012 720 V HN 0.610 nan 8.190 nan 0.000 0.432 721 Y N 4.512 124.669 120.300 -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 0.311 58.234 58.100 -0.294 0.000 1.422 721 Y CB 1.058 39.278 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.393 119.583 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.910 4.470 -0.001 0.000 0.274 722 S C -1.601 172.498 174.600 -0.835 0.000 1.150 722 S CA -1.190 56.626 58.200 -0.640 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 2.996 122.810 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.604 4.350 -0.001 0.000 0.284 723 E C -1.905 174.290 176.600 -0.675 0.000 1.018 723 E CA -2.086 53.872 56.400 -0.737 0.000 0.817 723 E CB 0.730 30.278 29.700 -0.255 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 -0.009 177.126 177.300 -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 -2.016 118.365 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.216 173.134 176.300 0.083 0.000 0.995 725 R CA -2.369 53.734 56.100 0.005 0.000 0.917 725 R CB 0.432 30.801 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.170 nan 4.420 nan 0.000 0.271 726 P C -0.594 176.834 177.300 0.214 0.000 1.216 726 P CA -0.259 62.868 63.100 0.044 0.000 0.771 726 P CB 0.482 32.176 31.700 -0.008 0.000 0.864 727 I N 2.694 123.411 120.570 0.246 0.000 2.339 727 I HA 0.309 4.479 4.170 -0.001 0.000 0.290 727 I C 1.273 177.748 176.117 0.595 0.000 0.994 727 I CA -0.264 61.243 61.300 0.345 0.000 1.191 727 I CB 0.849 38.903 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.635 112.820 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.202 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.202 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 0.301 45.682 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.613 113.094 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.797 175.636 174.700 0.232 0.000 0.893 729 T CA -0.283 61.915 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 1.289 121.915 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.348 176.004 176.300 0.087 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.200 30.444 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 0.182 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.902 175.900 0.084 0.000 1.117 731 Y CA 0.017 58.161 58.100 0.073 0.000 1.263 731 Y CB 0.583 39.098 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.842 122.230 121.223 0.275 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.443 177.388 176.870 0.125 0.000 1.153 732 L CA -0.397 54.614 54.840 0.286 0.000 0.808 732 L CB 0.916 43.298 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 4.902 4.350 -0.001 0.000 0.280 733 T C -0.514 174.068 174.700 -0.196 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.212 71.108 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.073 122.375 120.500 -0.331 0.000 2.854 734 R HA 0.511 4.851 4.340 -0.001 0.000 0.271 734 R C -0.883 175.370 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.397 31.072 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.032 119.724 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.106 0.000 1.205 735 N CA -0.393 52.697 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.051 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