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_O 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 5.145 4.320 -0.001 0.000 0.282 218 A C -0.997 176.607 177.584 0.032 0.000 1.102 218 A CA -0.575 51.485 52.037 0.040 0.000 0.737 218 A CB 1.691 20.712 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.603 121.025 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.699 177.018 176.300 0.031 0.000 1.151 219 D CA 0.220 54.238 54.000 0.031 0.000 1.089 219 D CB 1.416 42.235 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.883 175.798 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.551 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.152 4.120 -0.001 0.000 0.243 221 V C 2.527 178.629 176.094 0.013 0.000 1.038 221 V CA 2.120 64.428 62.300 0.015 0.000 1.008 221 V CB -0.651 31.177 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.749 109.556 108.800 0.011 0.000 3.474 222 G HA2 0.148 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.108 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.339 222 G CA 0.021 45.127 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.018 118.694 118.700 0.020 0.000 2.519 223 N HA 0.266 5.006 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 1.406 39.906 38.487 0.022 0.000 1.500 223 N HN 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.541 117.267 115.700 0.043 0.000 2.549 224 S HA 0.086 4.556 4.470 -0.001 0.000 0.286 224 S C 0.835 175.480 174.600 0.075 0.000 1.314 224 S CA -0.224 58.018 58.200 0.070 0.000 1.062 224 S CB 0.668 63.913 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.105 116.877 115.700 0.120 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.654 175.299 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.693 62.600 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.360 109.168 108.800 0.014 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.294 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.027 117.486 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.011 174.404 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.208 40.519 38.487 -0.295 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.574 123.722 121.300 -0.254 0.000 2.367 228 W HA 0.190 4.849 4.660 -0.001 0.000 0.329 228 W C -1.056 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.294 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 5.319 124.294 119.070 -0.159 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.207 174.994 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.971 30.657 29.762 -0.126 0.000 1.413 229 H HN 0.166 nan 8.280 nan 0.000 0.507 230 C N 4.104 123.405 119.300 0.002 0.000 2.437 230 C HA 0.387 4.846 4.460 -0.001 0.000 0.307 230 C C -0.541 174.502 174.990 0.090 0.000 1.093 230 C CA -0.278 58.746 59.018 0.009 0.000 1.463 230 C CB -0.708 27.093 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.919 122.346 120.400 0.046 0.000 2.665 231 D HA 0.713 5.353 4.640 -0.001 0.000 0.287 231 D C -1.288 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.297 43.136 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.503 116.206 115.700 0.005 0.000 2.562 232 S HA 0.703 5.172 4.470 -0.001 0.000 0.274 232 S C -1.863 172.722 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.347 58.200 -0.069 0.000 0.933 232 S CB 1.560 64.690 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.423 121.163 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.864 174.087 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.485 29.267 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.421 122.740 121.300 0.031 0.000 2.512 234 W HA 0.578 5.238 4.660 -0.001 0.000 0.335 234 W C -0.060 176.476 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.011 30.486 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.294 124.658 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.623 178.577 176.870 0.139 0.000 1.222 235 L CA 0.719 55.646 54.840 0.145 0.000 1.028 235 L CB -0.670 41.441 42.059 0.086 0.000 1.386 235 L HN 0.998 nan 8.230 nan 0.000 0.578 236 G N 1.049 109.964 108.800 0.192 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.909 174.900 0.116 0.000 1.033 236 G CA 1.109 46.286 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.026 120.497 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.100 177.490 176.300 0.151 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 -1.603 118.992 120.500 0.159 0.000 2.741 238 R HA 0.574 4.913 4.340 -0.001 0.000 0.276 238 R C -2.039 174.322 176.300 0.102 0.000 1.028 238 R CA -0.993 55.200 56.100 0.156 0.000 0.865 238 R CB 1.046 31.412 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.665 121.602 119.914 0.037 0.000 2.760 239 V HA 0.595 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.220 0.000 0.910 239 V CB 1.940 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 5.713 126.185 120.570 -0.164 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.405 176.440 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.056 40.007 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.959 114.554 -0.071 0.000 2.771 241 T HA 0.723 5.073 4.350 -0.001 0.000 0.281 241 T C -0.124 174.554 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.019 69.758 68.868 -0.216 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.447 242 T N 2.444 116.971 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.533 174.140 174.700 -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 0.700 nan 8.240 nan 0.000 0.446 243 S N 1.610 117.267 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.130 4.470 -0.001 0.000 0.280 243 S C -0.901 173.566 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.970 64.119 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.432 119.737 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.802 173.537 174.700 -0.601 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.138 69.183 68.868 -1.372 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.013 121.371 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.942 4.340 -0.001 0.000 0.272 245 R C -0.920 175.566 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 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 2.712 117.495 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.473 174.700 0.113 0.000 0.984 246 T CA -0.559 61.637 62.100 0.160 0.000 1.049 246 T CB 0.638 69.562 68.868 0.093 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.572 121.800 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.901 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.507 0.000 1.192 247 W CB 1.350 30.499 29.460 -0.519 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.955 125.774 122.820 -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 -0.790 51.303 52.037 0.094 0.000 0.743 248 A CB 2.003 21.010 19.000 0.011 0.000 1.258 248 A HN 0.693 nan 8.150 nan 0.000 0.429 249 L N 3.676 125.068 121.223 0.282 0.000 2.404 249 L HA 0.672 5.011 4.340 -0.001 0.000 0.272 249 L C -2.647 174.276 176.870 0.088 0.000 0.980 249 L CA -1.556 53.386 54.840 0.169 0.000 0.836 249 L CB 2.128 44.314 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.381 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.104 177.300 -0.271 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.574 31.970 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 -0.326 0.000 0.973 251 T CB -0.990 67.644 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.144 122.344 120.300 -0.166 0.000 2.397 252 Y HA 0.125 4.675 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 0.036 58.064 58.100 -0.120 0.000 1.391 252 Y CB 0.307 38.726 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.732 120.490 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.193 175.308 175.510 -0.014 0.000 1.125 253 N CA 0.806 53.880 53.050 0.040 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.063 118.567 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.847 175.510 -0.146 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.872 116.152 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.181 175.148 175.328 0.001 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.341 29.762 -0.360 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.401 121.694 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.156 176.808 176.870 0.157 0.000 1.002 256 L CA -1.010 53.946 54.840 0.194 0.000 0.818 256 L CB 1.218 43.385 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.242 122.685 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.038 175.900 0.235 0.000 0.995 257 Y CA -0.212 58.061 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 3.002 123.582 120.400 0.301 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.687 175.998 176.600 0.142 0.000 0.940 258 K CA -1.025 55.372 56.287 0.184 0.000 0.811 258 K CB 1.877 34.430 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.763 124.587 119.800 0.040 0.000 2.296 259 Q HA 0.248 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.307 55.291 55.803 -0.342 0.000 0.905 259 Q CB 0.420 28.982 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.723 120.924 120.570 -0.616 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.060 176.117 -0.670 0.000 1.044 260 I CA -0.713 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.332 40.175 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.161 117.534 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.641 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.438 58.200 -0.714 0.000 0.860 261 S CB 0.806 63.892 63.200 -0.189 0.000 1.206 261 S HN 1.052 nan 8.310 nan 0.000 0.507 262 S N 0.963 116.409 115.700 -0.422 0.000 2.601 262 S HA 0.472 4.942 4.470 -0.001 0.000 0.271 262 S C -0.082 174.553 174.600 0.059 0.000 1.305 262 S CA -0.579 57.625 58.200 0.006 0.000 1.022 262 S CB 0.552 63.902 63.200 0.250 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.585 121.432 119.800 0.078 0.000 2.286 263 Q HA 0.068 4.408 4.340 -0.001 0.000 0.290 263 Q C -0.313 175.724 176.000 0.063 0.000 1.049 263 Q CA 0.422 56.253 55.803 0.047 0.000 0.923 263 Q CB 0.453 29.207 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.093 118.823 115.700 0.050 0.000 2.945 264 S HA 0.129 4.599 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 0.666 58.900 58.200 0.057 0.000 1.721 264 S CB -0.931 62.286 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.857 110.721 108.800 0.106 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 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 -1.205 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.884 52.037 -0.055 0.000 0.657 266 A CB 0.491 19.465 19.000 -0.042 0.000 0.852 266 A HN 1.503 nan 8.150 nan 0.000 0.454 267 S N -2.510 113.061 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.476 0.000 1.150 267 S CA -0.313 57.729 58.200 -0.263 0.000 0.850 267 S CB 1.305 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 0.814 119.368 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.514 175.510 0.040 0.000 1.034 268 N CA 0.296 53.315 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 0.644 121.039 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.620 54.647 54.000 0.044 0.000 0.892 269 D CB -0.250 40.592 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.587 118.074 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.525 175.510 0.059 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.311 120.466 119.070 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 56.820 56.048 0.201 0.000 1.435 271 H CB 0.176 30.002 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.385 121.809 120.300 0.206 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.817 58.100 0.156 0.000 1.050 272 Y CB 1.515 40.023 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.147 121.028 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.357 175.800 -0.151 0.000 1.116 273 F CA 0.002 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.087 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.809 111.042 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.438 171.802 174.900 -1.099 0.000 1.242 274 G CA -0.598 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 -0.892 119.019 120.300 -0.648 0.000 2.581 275 Y HA 0.756 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.143 175.831 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.432 0.000 1.042 275 Y CB 2.657 41.008 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.094 116.825 115.700 0.053 0.000 2.552 276 S HA 0.596 5.065 4.470 -0.001 0.000 0.314 276 S C -0.715 173.932 174.600 0.078 0.000 1.099 276 S CA -0.572 57.638 58.200 0.016 0.000 1.070 276 S CB 0.326 63.520 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.337 116.925 114.554 0.058 0.000 2.945 277 T HA 0.601 4.950 4.350 -0.001 0.000 0.286 277 T C -2.535 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.401 70.421 68.868 0.253 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.863 176.429 177.300 -0.013 0.000 1.241 278 P CA -0.119 62.952 63.100 -0.049 0.000 0.781 278 P CB -0.178 31.447 31.700 -0.125 0.000 1.088 279 W N 0.420 121.729 121.300 0.014 0.000 2.438 279 W HA 0.570 5.230 4.660 -0.001 0.000 0.324 279 W C 1.040 177.578 176.519 0.032 0.000 1.119 279 W CA -0.082 57.291 57.345 0.046 0.000 1.221 279 W CB 0.987 30.470 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.125 110.053 108.800 0.214 0.000 2.557 280 G HA2 0.696 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.696 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 -3.091 117.075 120.300 -0.224 0.000 2.641 281 Y HA 0.683 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 -2.087 55.865 58.100 -0.247 0.000 1.057 281 Y CB 0.950 39.281 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.957 121.898 119.950 -0.014 0.000 2.404 282 F HA 0.501 5.028 4.527 -0.001 0.000 0.339 282 F C -0.167 175.674 175.800 0.067 0.000 1.105 282 F CA 0.002 58.031 58.000 0.047 0.000 1.087 282 F CB 1.438 40.537 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.689 123.218 120.400 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 0.111 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.038 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 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.245 176.124 175.800 0.131 0.000 1.371 284 F CA -0.825 57.254 58.000 0.131 0.000 1.123 284 F CB -0.919 38.235 39.000 0.258 0.000 1.207 284 F HN 0.274 nan 8.300 nan 0.000 0.512 285 N N 1.312 119.853 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.195 175.108 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.654 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.976 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.540 119.859 120.500 -0.170 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.077 176.307 176.300 -0.117 0.000 0.963 286 R CA -0.644 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.972 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.908 120.875 119.950 0.029 0.000 2.171 287 F HA -0.169 4.357 4.527 -0.001 0.000 0.300 287 F C 2.254 178.156 175.800 0.170 0.000 1.090 287 F CA 1.624 59.756 58.000 0.219 0.000 1.293 287 F CB -0.067 38.911 39.000 -0.036 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.246 119.070 0.201 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.679 177.050 175.328 0.071 0.000 1.005 288 H CA 0.407 56.519 56.048 0.108 0.000 1.171 288 H CB -1.450 28.337 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 -0.083 0.000 2.448 289 C HA -0.002 4.458 4.460 -0.001 0.000 0.280 289 C C 1.731 176.479 174.990 -0.404 0.000 1.398 289 C CA 0.847 59.702 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.926 116.243 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.042 175.211 175.328 -0.124 0.000 0.934 290 H CA 0.153 56.211 56.048 0.017 0.000 1.116 290 H CB -0.109 29.683 29.762 0.051 0.000 1.439 290 H HN 0.311 nan 8.280 nan 0.000 0.445 291 F N 3.494 123.598 119.950 0.257 0.000 2.411 291 F HA 0.210 4.737 4.527 -0.001 0.000 0.355 291 F C 1.106 176.992 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.084 40.264 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.938 119.793 115.700 0.258 0.000 2.584 292 S HA 0.219 4.689 4.470 -0.001 0.000 0.270 292 S C -1.861 172.845 174.600 0.175 0.000 1.346 292 S CA -1.013 57.298 58.200 0.184 0.000 1.018 292 S CB 1.217 64.505 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 -0.024 0.000 1.157 293 P CA 1.215 64.216 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 0.400 120.930 120.500 0.052 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.775 178.151 176.300 0.127 0.000 1.142 294 R CA 2.000 58.148 56.100 0.080 0.000 0.960 294 R CB -1.657 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.613 119.936 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.204 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 0.052 0.000 2.325 296 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 296 W C 2.154 178.521 176.519 -0.253 0.000 1.215 296 W CA 1.448 58.663 57.345 -0.217 0.000 1.244 296 W CB -0.095 29.193 29.460 -0.286 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.319 120.070 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.388 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.826 57.516 55.803 -0.189 0.000 0.844 297 Q CB -0.197 28.499 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.159 120.543 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.342 57.222 56.100 -0.366 0.000 0.960 298 R CB -0.480 29.415 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.787 121.885 121.223 -0.207 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.147 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.278 55.986 54.840 -0.220 0.000 0.746 299 L CB -0.197 41.562 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.629 120.866 120.570 -0.555 0.000 2.208 300 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 300 I C 1.795 177.780 176.117 -0.220 0.000 1.097 300 I CA 1.463 62.481 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.057 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.934 119.505 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.872 176.347 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.339 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 -0.232 118.423 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.797 174.685 175.510 -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 -0.220 118.512 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.998 175.510 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 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.997 123.284 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.530 4.660 -0.001 0.000 0.283 304 W C 1.091 177.643 176.519 0.055 0.000 1.215 304 W CA 0.228 57.547 57.345 -0.044 0.000 1.211 304 W CB 0.397 29.743 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.608 107.382 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.473 174.900 0.590 0.000 1.330 305 G CA -0.573 44.742 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.408 118.962 119.950 0.701 0.000 2.807 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.316 306 F C -0.887 175.313 175.800 0.666 0.000 1.162 306 F CA -1.136 57.312 58.000 0.746 0.000 0.910 306 F CB 1.437 40.679 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.037 120.787 120.500 0.540 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.642 172.627 176.300 -0.052 0.000 1.032 307 R CA -1.854 54.206 56.100 -0.067 0.000 0.866 307 R CB 1.743 31.720 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.597 61.768 63.100 -1.225 0.000 0.811 308 P CB 1.222 31.593 31.700 -2.215 0.000 1.035 309 K N 0.533 120.533 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.021 0.000 1.340 309 K CA 0.806 56.938 56.287 -0.257 0.000 0.880 309 K CB 0.286 32.669 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.220 120.580 120.400 -0.067 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.341 175.291 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.016 0.000 0.863 310 K CB 1.982 34.416 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.288 120.938 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.852 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.564 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.501 120.177 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.244 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.010 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 3.413 123.371 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.279 175.591 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.985 40.173 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.284 127.311 120.400 -0.621 0.000 2.535 314 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 314 K C -2.180 174.301 176.600 -0.198 0.000 0.942 314 K CA -0.607 55.547 56.287 -0.223 0.000 0.798 314 K CB 1.578 34.044 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.868 127.159 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.743 176.382 176.870 0.426 0.000 1.006 315 L CA -0.875 54.053 54.840 0.146 0.000 0.817 315 L CB 0.991 43.123 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.636 119.418 119.950 0.173 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.167 175.703 175.800 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 40.119 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.582 119.437 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.108 174.386 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.632 53.050 0.104 0.000 0.742 317 N CB -1.068 37.485 38.487 0.110 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.903 121.490 120.570 0.029 0.000 2.474 318 I HA 0.096 4.265 4.170 -0.001 0.000 0.287 318 I C 0.489 176.572 176.117 -0.057 0.000 1.048 318 I CA 0.111 61.408 61.300 -0.005 0.000 1.383 318 I CB 0.901 38.976 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.434 125.150 119.800 -0.140 0.000 2.285 319 Q HA 0.510 4.849 4.340 -0.001 0.000 0.269 319 Q C -1.400 174.485 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.138 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.392 nan 8.270 nan 0.000 0.438 320 V N 3.339 123.160 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.473 4.120 -0.001 0.000 0.280 320 V C -0.322 175.625 176.094 -0.246 0.000 1.021 320 V CA -0.632 61.553 62.300 -0.191 0.000 0.847 320 V CB 1.158 32.924 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.200 124.333 120.400 -0.445 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.350 176.116 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.525 34.641 32.500 -0.640 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.281 120.448 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.697 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.328 122.309 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.041 175.089 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.112 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.387 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 70.459 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.954 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.483 55.326 55.803 0.010 0.000 0.922 325 Q CB 0.535 29.276 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.139 119.845 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.610 175.510 0.005 0.000 1.038 326 N CA 1.243 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 -1.628 118.774 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.039 177.339 176.300 -0.000 0.000 1.454 327 D CA 0.491 54.492 54.000 0.002 0.000 1.400 327 D CB -0.479 40.322 40.800 0.001 0.000 0.975 327 D HN 0.225 nan 8.370 nan 0.000 0.212 328 G N -0.192 108.607 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.689 115.242 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.327 174.373 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.361 70.229 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.219 116.771 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.413 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.266 69.129 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.001 116.564 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.940 61.172 62.100 0.020 0.000 1.049 331 T CB 0.499 69.376 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.169 122.764 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.161 176.301 176.117 0.039 0.000 0.999 332 I CA -1.039 60.300 61.300 0.066 0.000 1.124 332 I CB 1.554 39.620 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.326 128.161 122.820 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 -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.344 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 1.977 120.660 118.700 -0.028 0.000 2.497 334 N HA 0.127 4.867 4.740 -0.001 0.000 0.271 334 N C -0.980 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.173 53.197 53.050 -0.044 0.000 0.965 334 N CB 0.761 39.226 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.418 122.090 118.700 -0.046 0.000 2.707 335 N HA 0.205 4.944 4.740 -0.001 0.000 0.235 335 N C 0.898 176.391 175.510 -0.028 0.000 1.028 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.906 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.131 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.985 122.197 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 336 L C 1.985 178.853 176.870 -0.004 0.000 1.095 336 L CA 1.282 56.115 54.840 -0.012 0.000 0.770 336 L CB -0.454 41.601 42.059 -0.007 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.376 110.177 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.965 175.667 174.700 0.003 0.000 1.134 337 T CA -0.060 62.042 62.100 0.004 0.000 1.051 337 T CB 0.039 68.910 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.949 117.647 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.017 174.600 0.001 0.000 1.305 338 S CA -0.420 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.704 63.895 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.225 114.779 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.570 174.137 174.700 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 0.608 nan 8.240 nan 0.000 0.560 340 V N 0.154 120.087 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.791 174.326 176.094 0.038 0.000 1.187 340 V CA -0.789 61.526 62.300 0.024 0.000 0.999 340 V CB 2.403 34.272 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.489 123.292 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.454 174.668 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.561 31.383 28.738 0.140 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.367 123.379 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.720 175.411 176.094 0.063 0.000 1.072 342 V CA -0.830 61.448 62.300 -0.036 0.000 0.937 342 V CB 1.325 32.816 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.326 120.126 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.902 174.703 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.982 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.684 115.095 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.531 172.995 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.907 69.370 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.521 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.856 176.913 176.300 -0.405 0.000 1.188 345 D CA 0.110 53.924 54.000 -0.309 0.000 1.028 345 D CB 0.063 40.647 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.020 117.538 115.700 -0.303 0.000 2.501 346 S HA 0.008 4.477 4.470 -0.001 0.000 0.220 346 S C 1.249 175.563 174.600 -0.477 0.000 0.997 346 S CA 0.064 58.035 58.200 -0.382 0.000 0.919 346 S CB 0.231 63.376 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.293 120.329 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.057 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 0.513 120.829 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.935 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.421 36.026 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.108 119.736 119.800 0.073 0.000 2.396 349 Q HA 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.375 176.294 176.000 -0.135 0.000 0.906 349 Q CA 0.185 56.018 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.432 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.866 122.973 121.223 -0.193 0.000 2.325 350 L HA 0.383 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.261 0.000 1.054 350 L CA -2.423 52.166 54.840 -0.418 0.000 0.804 350 L CB 0.967 42.755 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.263 177.300 0.068 0.000 1.185 351 P CA 0.165 63.217 63.100 -0.079 0.000 0.763 351 P CB -0.017 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.149 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.016 0.000 1.030 352 Y CA 0.288 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.365 38.850 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.061 126.804 119.914 -0.284 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.609 31.020 31.823 -0.323 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.247 120.624 121.223 -0.587 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.346 176.870 -0.157 0.000 1.151 354 L CA 0.297 54.888 54.840 -0.417 0.000 0.806 354 L CB -0.075 41.614 42.059 -0.617 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.157 108.877 108.800 -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 -0.497 115.201 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.482 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.082 0.000 1.014 356 S CB 0.645 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.596 124.348 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.950 177.584 -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 16.685 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.117 118.955 119.070 0.004 0.000 2.767 358 H HA 0.252 4.808 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.193 118.725 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.598 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.630 30.431 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.420 108.426 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.004 0.000 0.998 360 G CA -0.346 44.788 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.249 119.537 119.300 -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 -0.651 58.313 59.018 -0.091 0.000 2.260 361 C CB -0.018 27.703 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.383 123.425 121.223 -0.303 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.108 53.471 54.840 -0.435 0.000 0.855 362 L CB -0.095 41.824 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 -0.855 62.308 63.100 0.106 0.000 0.761 363 P CB 0.182 31.980 31.700 0.163 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.515 177.300 0.004 0.000 1.150 364 P CA 1.248 64.410 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.094 0.000 0.787 365 F N -0.200 119.592 119.950 -0.265 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -2.999 54.775 58.000 -0.376 0.000 1.135 365 F CB 1.050 39.743 39.000 -0.513 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.148 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.272 177.300 -0.045 0.000 1.148 366 P CA 1.747 64.757 63.100 -0.151 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.032 121.615 122.820 -0.288 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.656 178.349 177.584 0.182 0.000 1.153 367 A CA 0.724 52.759 52.037 -0.004 0.000 0.692 367 A CB -0.938 18.118 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 -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.142 54.300 54.000 0.263 0.000 0.876 368 D CB 1.384 42.352 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.271 123.326 119.914 0.235 0.000 2.686 369 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 369 V C 0.092 176.371 176.094 0.309 0.000 1.057 369 V CA -0.484 61.963 62.300 0.245 0.000 1.012 369 V CB 0.507 32.400 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.526 122.565 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.423 175.800 0.134 0.000 1.060 370 F CA -1.349 56.731 58.000 0.134 0.000 0.940 370 F CB 1.940 41.026 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.280 122.920 119.600 0.065 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.338 174.960 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.537 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 7.365 127.203 119.914 -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 -1.266 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.452 32.029 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.145 62.706 63.100 -0.415 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.278 120.759 119.800 -0.532 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 0.021 0.000 0.915 374 Q CA -0.703 54.709 55.803 -0.650 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 1.473 121.773 120.300 0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.296 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.030 0.000 1.165 375 Y CB 1.222 39.709 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.072 113.507 108.800 -0.608 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.294 172.300 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.474 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.061 119.036 120.300 -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 56.295 58.100 -0.185 0.000 1.049 377 Y CB 1.537 39.917 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.007 123.364 121.223 0.224 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 -0.609 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 0.345 115.103 114.554 0.339 0.000 2.688 379 T HA 0.451 4.801 4.350 -0.001 0.000 0.249 379 T C -0.889 173.991 174.700 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 70.033 68.868 0.469 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.975 124.357 121.223 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 0.126 42.271 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 -1.378 174.138 175.510 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 1.099 119.761 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.637 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.069 0.000 0.902 382 N CB 0.046 38.488 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.335 111.051 108.800 -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 -0.346 0.000 1.146 383 G CA 0.521 45.367 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.259 115.714 115.700 -0.408 0.000 2.528 384 S HA 0.302 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 1.300 59.441 58.200 -0.099 0.000 0.914 384 S CB 0.234 63.428 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.586 120.259 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.318 175.392 176.000 -0.484 0.000 0.999 385 Q CA -0.410 55.205 55.803 -0.313 0.000 0.959 385 Q CB 1.168 29.769 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 -0.681 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.690 176.707 177.584 -0.313 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.685 0.000 0.826 386 A CB 1.001 19.251 19.000 -1.249 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.466 119.345 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.564 62.300 -0.083 0.000 1.011 387 V CB 1.253 33.060 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.427 108.358 108.800 -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 0.020 0.000 1.138 388 G CA -0.017 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 0.902 121.420 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.084 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.359 116.116 115.700 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 -0.281 58.020 58.200 0.168 0.000 1.034 390 S CB 1.711 65.039 63.200 0.214 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.313 118.118 115.700 0.174 0.000 2.437 391 S HA 0.518 4.987 4.470 -0.001 0.000 0.305 391 S C -0.922 173.624 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.480 63.568 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.041 123.745 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.485 173.999 175.800 -0.526 0.000 1.120 392 F CA -1.461 56.292 58.000 -0.410 0.000 1.033 392 F CB 0.444 39.200 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.532 125.538 120.300 -0.489 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.069 175.457 175.900 -0.624 0.000 0.958 393 Y CA -0.857 56.963 58.100 -0.466 0.000 1.167 393 Y CB 1.407 39.674 38.460 -0.320 0.000 1.151 393 Y HN 0.714 nan 8.280 nan 0.000 0.470 394 C N 5.789 124.819 119.300 -0.451 0.000 2.307 394 C HA 0.401 4.861 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.808 26.662 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.413 125.762 121.223 0.209 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.186 176.870 0.092 0.000 1.137 395 L CA 1.255 56.082 54.840 -0.023 0.000 0.863 395 L CB -0.438 41.164 42.059 -0.760 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.549 118.852 120.200 0.335 0.000 2.435 396 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 396 E C 1.157 177.870 176.600 0.188 0.000 1.029 396 E CA 0.500 57.097 56.400 0.327 0.000 0.865 396 E CB -0.093 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 -0.136 120.157 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.274 175.900 -0.386 0.000 1.186 397 Y CA -0.319 57.677 58.100 -0.172 0.000 1.266 397 Y CB -0.005 38.320 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.994 120.695 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.172 173.284 175.800 -0.573 0.000 1.103 398 F CA -3.137 54.472 58.000 -0.651 0.000 0.949 398 F CB 0.904 39.169 39.000 -1.223 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.163 nan 4.420 nan 0.000 0.266 399 P C -1.055 176.177 177.300 -0.113 0.000 1.215 399 P CA -0.054 62.952 63.100 -0.156 0.000 0.763 399 P CB 0.571 32.203 31.700 -0.114 0.000 0.806 400 S N 1.695 117.391 115.700 -0.007 0.000 2.548 400 S HA 0.396 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 1.618 64.976 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.875 121.809 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.957 175.150 176.000 0.177 0.000 0.957 401 Q CA -0.169 55.761 55.803 0.211 0.000 0.919 401 Q CB 0.507 29.433 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.485 124.168 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.219 175.147 176.300 0.111 0.000 1.171 402 M CA -0.715 54.651 55.300 0.111 0.000 1.069 402 M CB 0.949 33.598 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.845 124.132 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.136 176.786 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.115 0.000 0.820 403 L CB 1.704 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 -0.034 120.511 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.469 175.867 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.955 31.281 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.624 115.202 114.554 0.040 0.000 2.817 405 T HA 0.339 4.689 4.350 -0.001 0.000 0.295 405 T C 0.807 175.536 174.700 0.048 0.000 0.958 405 T CA 0.980 63.103 62.100 0.038 0.000 1.157 405 T CB 0.635 69.511 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.714 112.555 108.800 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 -0.680 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.729 120.487 118.700 0.097 0.000 2.445 407 N HA 0.562 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 0.391 53.512 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 0.761 nan 8.380 nan 0.000 0.491 408 N N -0.673 118.136 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.294 39.908 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.122 120.160 119.950 0.146 0.000 2.529 409 F HA 0.522 5.048 4.527 -0.001 0.000 0.320 409 F C -0.742 175.146 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.146 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 5.090 124.531 119.800 -0.599 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.717 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.954 55.803 -0.344 0.000 0.820 410 Q CB 2.131 30.750 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.659 120.471 119.950 -0.229 0.000 2.669 411 F HA 0.582 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.493 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 4.595 119.801 115.700 -0.823 0.000 2.536 412 S HA 0.609 5.079 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.793 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 0.982 120.893 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.162 4.550 -0.001 0.000 0.347 413 Y C -1.109 174.549 175.900 -0.403 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.784 39.919 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.534 120.374 114.554 -1.190 0.000 2.815 414 T HA 0.410 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.203 174.700 -1.128 0.000 1.000 414 T CA -0.402 61.191 62.100 -0.844 0.000 0.958 414 T CB 0.096 68.676 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.146 119.950 -0.659 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.306 0.000 1.178 415 F CA -0.458 57.315 58.000 -0.379 0.000 1.301 415 F CB 0.573 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 -1.316 175.261 176.600 -0.039 0.000 1.191 416 E CA -0.965 55.413 56.400 -0.037 0.000 0.952 416 E CB 0.380 30.081 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.635 121.006 120.400 -0.048 0.000 2.342 417 D HA 0.181 4.820 4.640 -0.001 0.000 0.260 417 D C -1.135 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.200 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.986 41.758 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.425 124.296 119.914 -0.071 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.455 173.633 176.094 -0.010 0.000 1.042 418 V CA -2.383 59.918 62.300 0.001 0.000 0.872 418 V CB 2.051 33.924 31.823 0.084 0.000 0.998 418 V HN 0.326 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.155 0.000 1.186 419 P CA 0.332 63.481 63.100 0.081 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.822 120.871 119.950 0.165 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.785 177.667 175.800 0.136 0.000 1.147 420 F CA 0.480 58.592 58.000 0.186 0.000 1.341 420 F CB -0.055 39.031 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.895 120.036 119.070 0.119 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.964 175.328 0.006 0.000 1.178 421 H CA -0.435 55.526 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 2.428 117.560 115.700 -0.946 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.124 174.418 174.600 -0.509 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.636 0.000 1.067 422 S CB 0.304 62.967 63.200 -0.896 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.960 118.672 115.700 0.020 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.183 174.496 174.600 0.132 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.510 62.861 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.714 118.465 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.816 174.877 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.022 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.800 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.090 123.757 122.820 -0.256 0.000 2.414 425 A HA 0.540 4.859 4.320 -0.001 0.000 0.306 425 A C -1.503 175.962 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.681 19.588 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.802 120.849 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.684 175.328 -0.008 0.000 1.072 426 H CA 1.001 57.048 56.048 -0.001 0.000 1.444 426 H CB 1.348 31.104 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.976 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.223 174.600 0.069 0.000 0.975 427 S CA -0.088 58.157 58.200 0.076 0.000 0.912 427 S CB 0.488 63.729 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.383 120.230 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.133 174.884 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.905 30.659 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.374 115.331 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.687 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.634 58.200 -0.003 0.000 0.980 429 S CB 0.877 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 2.300 123.514 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.919 178.807 176.870 0.030 0.000 1.085 430 L CA 2.067 56.916 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 -1.632 118.771 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.881 177.174 176.300 -0.011 0.000 1.010 431 D CA 0.131 54.126 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.817 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 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.554 176.858 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.447 30.747 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.483 121.712 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.347 177.227 176.870 0.017 0.000 1.064 433 L CA 0.851 55.705 54.840 0.023 0.000 0.873 433 L CB 0.140 42.231 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.874 118.726 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.371 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.773 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.766 119.458 118.700 -0.013 0.000 2.408 435 N HA 0.300 5.040 4.740 -0.001 0.000 0.257 435 N C -2.149 173.354 175.510 -0.012 0.000 1.064 435 N CA -1.702 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.188 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.815 178.111 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.738 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 -2.123 119.097 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.685 55.523 54.840 -0.003 0.000 0.850 437 L CB -0.286 41.773 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.683 119.883 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 4.170 -0.001 0.000 0.305 438 I C -0.526 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.457 61.300 -0.006 0.000 1.148 438 I CB 1.292 39.292 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.941 123.330 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.189 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.132 119.861 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.504 4.340 -0.001 0.000 0.215 440 Q C 0.132 176.034 176.000 -0.165 0.000 1.062 440 Q CA -0.216 55.457 55.803 -0.217 0.000 0.996 440 Q CB 0.463 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 -2.014 118.251 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.187 175.704 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.378 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.981 122.159 121.223 -0.076 0.000 2.360 442 L HA 0.431 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.045 53.825 54.840 0.049 0.000 0.803 442 L CB 1.091 43.129 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.401 120.743 120.300 0.070 0.000 2.468 443 Y HA 0.469 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 -0.618 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.852 40.293 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.431 120.880 120.300 0.248 0.000 2.602 444 Y HA 0.727 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.631 174.480 175.900 0.352 0.000 1.029 444 Y CA -1.867 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.545 nan 8.280 nan 0.000 0.485 445 L N 3.251 124.726 121.223 0.420 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.035 176.914 176.870 0.133 0.000 1.044 445 L CA -0.079 54.846 54.840 0.140 0.000 0.810 445 L CB 0.586 42.699 42.059 0.091 0.000 1.193 445 L HN 1.044 nan 8.230 nan 0.000 0.425 446 N N 2.575 121.278 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.334 nan 8.380 nan 0.000 0.506 447 R N 1.049 121.488 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.290 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.488 31.727 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.544 112.956 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.492 62.540 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.066 120.835 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.699 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.744 110.523 108.800 -0.034 0.000 2.151 450 G HA2 0.271 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.271 4.231 3.960 -0.001 0.000 0.269 450 G C -0.419 174.462 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 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 -0.577 61.508 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 4.471 4.350 -0.001 0.000 0.239 452 T C 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.148 62.242 62.100 -0.011 0.000 1.171 452 T CB -0.651 68.212 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.615 118.309 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.818 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 -0.644 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 2.009 110.805 108.800 -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 -0.223 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.581 116.132 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.982 174.700 -0.006 0.000 0.995 455 T CA 0.556 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.252 70.117 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.280 117.830 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.676 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 0.618 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 0.276 120.068 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.842 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.072 28.660 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.019 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.007 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.081 66.266 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.212 120.683 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.098 174.139 176.300 -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 31.277 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.138 126.287 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.791 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.248 54.840 -0.264 0.000 0.824 461 L CB 0.851 42.818 42.059 -0.155 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.666 124.559 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.560 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.116 54.840 -0.441 0.000 0.819 462 L CB 1.968 43.908 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.299 120.213 119.950 -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 -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.231 41.206 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.565 117.157 115.700 -0.179 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.825 173.512 174.600 -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 2.383 121.964 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.701 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.787 28.967 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.166 125.962 122.820 -0.040 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.765 52.873 52.037 0.119 0.000 0.755 466 A CB 0.037 19.047 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.154 109.972 108.800 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 -2.373 172.520 174.900 -0.011 0.000 1.341 467 G CA -1.169 43.931 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.118 64.208 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.250 119.548 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.333 177.333 176.000 -0.001 0.000 0.976 469 Q CA 1.557 57.362 55.803 0.003 0.000 0.828 469 Q CB -0.772 27.975 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.337 116.043 115.700 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 -0.082 0.000 1.402 470 S CA -0.204 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.177 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 2.108 121.670 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.635 177.882 176.300 -0.090 0.000 1.068 471 M CA 1.352 56.611 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 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.141 114.498 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 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 57.590 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.231 120.844 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.635 177.220 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.095 41.748 42.059 -0.678 0.000 1.295 473 L HN 0.265 nan 8.230 nan 0.000 0.534 474 Q N 1.352 120.963 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.616 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 0.836 29.486 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.080 124.827 122.820 -0.122 0.000 2.531 475 A HA 0.154 4.474 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.263 52.238 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.228 19.000 -0.090 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.327 120.753 120.500 -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 55.411 56.100 -0.142 0.000 0.982 476 R CB 1.042 31.287 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.451 118.027 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.970 173.992 175.510 -0.914 0.000 1.117 477 N CA 0.344 52.924 53.050 -0.783 0.000 0.883 477 N CB 0.474 38.271 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.166 121.468 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.611 175.925 176.519 0.027 0.000 1.198 478 W CA -0.816 56.541 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 1.942 123.359 121.223 0.323 0.000 2.322 479 L HA 0.626 4.966 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.580 42.770 42.059 0.219 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 -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.442 32.178 31.700 0.060 0.000 1.074 481 G N 0.595 109.540 108.800 0.242 0.000 2.684 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.255 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.255 481 G C -2.296 172.651 174.900 0.079 0.000 1.219 481 G CA -0.929 44.276 45.100 0.175 0.000 0.901 481 G HN 0.363 nan 8.290 nan 0.000 0.548 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.040 177.200 177.300 -0.100 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.831 32.316 31.700 -0.358 0.000 1.048 483 C N -0.815 118.414 119.300 -0.119 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.678 173.345 174.990 0.056 0.000 1.310 483 C CA -0.731 58.289 59.018 0.003 0.000 1.371 483 C CB 0.694 28.501 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.930 122.200 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.311 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 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 -0.384 175.870 176.300 -0.077 0.000 0.953 485 R CA 0.785 56.829 56.100 -0.094 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.159 121.940 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.474 4.340 -0.001 0.000 0.262 486 Q C -0.711 175.248 176.000 -0.068 0.000 1.014 486 Q CA -0.858 54.912 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 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.141 120.897 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.162 55.946 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.009 123.483 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.097 176.300 -0.029 0.000 1.053 488 R CA -0.448 55.617 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.599 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.779 122.891 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.248 176.517 176.870 -0.175 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.019 43.577 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.097 115.763 115.700 -0.057 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.001 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.181 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.111 121.516 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.803 176.600 0.012 0.000 1.048 491 K CA 0.731 57.070 56.287 0.086 0.000 0.966 491 K CB -0.204 32.316 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.750 116.275 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.564 4.350 -0.001 0.000 0.295 492 T C 0.496 175.196 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.715 62.100 -0.033 0.000 1.066 492 T CB 1.297 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.769 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 4.320 -0.001 0.000 0.226 493 A C 1.516 179.122 177.584 0.036 0.000 1.402 493 A CA -0.087 51.973 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 -2.554 116.164 118.700 0.030 0.000 1.952 494 N HA -0.033 4.707 4.740 -0.001 0.000 0.228 494 N C -0.518 175.014 175.510 0.036 0.000 1.398 494 N CA 0.179 53.247 53.050 0.031 0.000 0.817 494 N CB 0.113 38.611 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.850 121.275 120.400 0.041 0.000 2.323 495 D HA 0.093 4.732 4.640 -0.001 0.000 0.209 495 D C 0.094 176.444 176.300 0.083 0.000 0.973 495 D CA 0.535 54.574 54.000 0.066 0.000 0.874 495 D CB 0.052 40.899 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 0.086 0.000 2.463 496 N HA 0.034 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.614 175.510 0.060 0.000 1.205 496 N CA -0.333 52.781 53.050 0.106 0.000 0.974 496 N CB 0.445 39.043 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.752 119.450 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.165 175.365 175.510 0.033 0.000 1.202 497 N CA 0.279 53.291 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.471 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.635 120.349 118.700 0.024 0.000 3.210 498 N HA -0.023 4.717 4.740 -0.001 0.000 0.314 498 N C -0.846 174.705 175.510 0.068 0.000 1.291 498 N CA -0.277 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.035 115.810 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.772 174.022 174.600 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 0.743 119.598 118.700 0.259 0.000 2.699 500 N HA 0.419 5.159 4.740 -0.001 0.000 0.232 500 N C -0.600 175.065 175.510 0.257 0.000 1.027 500 N CA -1.037 52.141 53.050 0.212 0.000 0.920 500 N CB -0.288 38.265 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.155 121.146 119.950 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 -1.610 56.437 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 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.185 177.300 0.178 0.000 1.197 502 P CA 1.107 64.161 63.100 -0.078 0.000 0.765 502 P CB -0.053 31.614 31.700 -0.056 0.000 0.936 503 W N -0.285 121.020 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.463 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.118 29.342 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.482 114.131 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.355 176.050 174.700 -0.008 0.000 1.111 504 T CA 1.131 63.228 62.100 -0.005 0.000 1.118 504 T CB 0.041 68.985 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 0.998 178.647 177.584 0.108 0.000 1.202 505 A CA -0.074 52.037 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 -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.996 177.584 0.061 0.000 1.108 506 A CA -0.244 51.856 52.037 0.106 0.000 0.830 506 A CB 0.381 19.526 19.000 0.241 0.000 1.106 506 A HN 0.238 nan 8.150 nan 0.000 0.493 507 S N 0.789 116.581 115.700 0.152 0.000 2.549 507 S HA 0.453 4.923 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.221 58.098 58.200 0.199 0.000 1.054 507 S CB 0.174 63.554 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.140 121.645 120.400 0.175 0.000 2.571 508 K HA 0.580 4.899 4.320 -0.001 0.000 0.289 508 K C -1.611 175.076 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.158 33.525 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.672 118.652 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.094 174.880 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.953 121.177 119.070 0.256 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.365 173.100 175.328 0.229 0.000 1.042 510 H CA -1.050 55.090 56.048 0.153 0.000 1.276 510 H CB 1.572 31.378 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.175 125.483 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.400 177.340 176.870 0.117 0.000 1.013 511 L CA -0.645 54.234 54.840 0.065 0.000 0.819 511 L CB 1.071 43.228 42.059 0.164 0.000 1.227 511 L HN 0.865 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.922 118.700 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 0.001 109.013 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.593 45.873 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.065 120.500 0.278 0.000 2.507 514 R HA 0.280 4.620 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.793 31.195 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.973 122.477 120.400 0.173 0.000 2.417 515 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.806 54.873 54.000 0.112 0.000 0.881 515 D CB 1.544 42.435 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.633 117.156 115.700 -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 -0.733 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 0.308 4.648 4.340 -0.001 0.000 0.274 517 L C -0.241 176.573 176.870 -0.093 0.000 1.135 517 L CA 0.177 54.941 54.840 -0.127 0.000 0.870 517 L CB 0.530 42.535 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.863 126.791 119.914 0.022 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.368 177.556 176.094 0.157 0.000 1.472 518 V CA 0.120 62.516 62.300 0.160 0.000 1.453 518 V CB -0.960 30.980 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.277 123.990 118.700 0.022 0.000 2.030 519 N HA -0.026 4.713 4.740 -0.001 0.000 0.194 519 N C -1.898 173.768 175.510 0.259 0.000 1.074 519 N CA 1.073 54.148 53.050 0.042 0.000 0.860 519 N CB -0.434 38.026 38.487 -0.045 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 -0.455 176.921 177.300 0.127 0.000 1.340 520 P CA -0.347 62.841 63.100 0.148 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.836 113.717 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.418 4.377 3.960 -0.001 0.000 0.269 521 G C -2.419 172.517 174.900 0.061 0.000 1.416 521 G CA -1.673 43.478 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.151 177.173 177.300 0.039 0.000 1.205 522 P CA 0.162 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.983 31.700 -0.061 0.000 0.858 523 A N 3.471 126.318 122.820 0.045 0.000 2.496 523 A HA 0.307 4.627 4.320 -0.001 0.000 0.278 523 A C 0.113 177.741 177.584 0.074 0.000 1.137 523 A CA 0.510 52.600 52.037 0.088 0.000 0.805 523 A CB -1.036 18.045 19.000 0.134 0.000 1.077 523 A HN 0.428 nan 8.150 nan 0.000 0.513 524 M N 2.246 121.894 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.268 176.610 176.300 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 1.104 123.952 122.820 0.047 0.000 2.445 525 A HA 0.329 4.649 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.171 51.877 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.459 116.179 115.700 0.035 0.000 2.395 526 S HA 0.040 4.510 4.470 -0.001 0.000 0.225 526 S C 0.678 175.401 174.600 0.205 0.000 1.027 526 S CA 1.280 59.565 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.239 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.247 119.381 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.214 174.158 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.970 30.826 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.766 121.263 120.400 0.162 0.000 2.179 528 K HA 0.225 4.545 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.776 55.563 56.287 0.086 0.000 0.926 528 K CB 0.652 33.181 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.271 121.732 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.953 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 54.000 0.112 0.000 0.878 529 D CB 0.071 40.908 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.470 121.945 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.921 54.979 54.000 0.097 0.000 0.668 530 D CB -0.445 40.397 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.558 120.200 0.129 0.000 3.470 531 E HA 0.092 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.086 56.383 56.400 0.115 0.000 1.240 531 E CB 0.406 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.757 120.713 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 56.400 -0.783 0.000 1.222 532 E CB -1.045 28.456 29.700 -0.333 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 -0.224 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 -0.234 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 -0.347 0.000 0.952 533 K HN 0.054 nan 8.250 nan 0.000 0.541 534 F N 3.007 122.968 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.127 0.000 1.120 534 F CA -1.337 56.686 58.000 0.039 0.000 1.144 534 F CB 0.672 39.678 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.256 123.314 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.750 175.800 0.113 0.000 1.090 535 F CA -3.845 54.237 58.000 0.137 0.000 0.945 535 F CB 0.770 39.815 39.000 0.075 0.000 1.156 535 F HN 0.113 nan 8.300 nan 0.000 0.463 536 P HA 0.059 nan 4.420 nan 0.000 0.268 536 P C -0.269 176.990 177.300 -0.069 0.000 1.204 536 P CA -0.212 62.884 63.100 -0.008 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 -0.072 4.407 4.480 -0.001 0.000 0.356 537 M C 1.084 177.096 176.300 -0.479 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.848 120.037 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.508 175.915 175.328 0.130 0.000 1.142 538 H CA 0.586 56.723 56.048 0.149 0.000 1.158 538 H CB -2.174 27.644 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.920 109.756 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.034 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.034 3.960 -0.001 0.000 0.213 539 G C 0.415 175.403 174.900 0.146 0.000 1.196 539 G CA 0.408 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.207 117.585 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.616 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.396 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.017 176.647 176.870 -0.400 0.000 1.124 541 L CA -0.044 54.664 54.840 -0.220 0.000 0.816 541 L CB 0.320 42.233 42.059 -0.243 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.792 123.064 120.570 -0.497 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -0.999 174.806 176.117 -0.519 0.000 1.048 542 I CA -0.386 60.660 61.300 -0.425 0.000 1.062 542 I CB 1.473 39.336 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.922 122.824 119.950 -0.079 0.000 2.443 543 F HA 0.617 5.144 4.527 -0.001 0.000 0.335 543 F C 0.994 176.759 175.800 -0.058 0.000 1.104 543 F CA -0.735 57.233 58.000 -0.053 0.000 1.013 543 F CB 1.848 40.819 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.754 111.638 108.800 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 -0.716 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 0.694 121.092 120.400 -0.004 0.000 2.285 545 K HA 0.032 4.351 4.320 -0.001 0.000 0.255 545 K C 0.306 176.882 176.600 -0.040 0.000 1.000 545 K CA -0.077 56.186 56.287 -0.040 0.000 0.887 545 K CB 0.548 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.535 120.693 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.059 0.000 0.911 546 E CB 0.115 29.759 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.684 112.471 108.800 -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 -0.410 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.093 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 1.402 115.948 114.554 -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 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.057 114.554 -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 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.514 125.329 122.820 -0.008 0.000 2.206 550 A HA 0.220 4.539 4.320 -0.001 0.000 0.211 550 A C 1.426 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.261 52.291 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.145 115.834 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.304 62.883 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.266 120.953 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.498 175.002 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.420 38.057 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.210 124.019 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.322 177.894 177.584 -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 0.121 120.309 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.883 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.575 30.263 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.434 123.641 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.235 4.340 -0.001 0.000 0.215 555 L C 0.761 177.599 176.870 -0.053 0.000 1.117 555 L CA 1.798 56.611 54.840 -0.044 0.000 0.782 555 L CB -0.090 41.951 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.706 119.669 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.918 177.190 176.300 -0.045 0.000 1.029 556 D CA 0.326 54.300 54.000 -0.043 0.000 0.879 556 D CB -0.006 40.772 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.050 118.724 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.239 175.725 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.608 40.075 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.116 117.768 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.373 175.686 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 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 2.843 122.423 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.249 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.674 34.300 32.600 0.043 0.000 1.504 559 M HN 0.553 nan 8.290 nan 0.000 0.420 560 I N 2.357 122.854 120.570 -0.122 0.000 2.428 560 I HA 0.369 4.539 4.170 -0.001 0.000 0.296 560 I C 0.587 176.642 176.117 -0.104 0.000 0.985 560 I CA -0.679 60.513 61.300 -0.179 0.000 1.260 560 I CB 1.796 39.597 38.000 -0.332 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.299 114.787 114.554 -0.111 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.181 174.700 0.059 0.000 0.963 561 T CA -0.848 61.201 62.100 -0.085 0.000 1.019 561 T CB 1.467 70.166 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.164 122.643 120.400 0.131 0.000 2.274 562 D HA 0.204 4.844 4.640 -0.001 0.000 0.239 562 D C -0.087 176.337 176.300 0.207 0.000 1.104 562 D CA -0.422 53.697 54.000 0.198 0.000 0.840 562 D CB 0.932 41.870 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.263 123.566 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.071 176.689 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.329 30.113 29.700 0.139 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.357 119.844 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.303 176.870 176.600 -0.054 0.000 1.016 564 E CA 0.036 56.377 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 1.084 121.264 120.200 -0.032 0.000 2.340 565 E HA 0.082 4.431 4.350 -0.001 0.000 0.194 565 E C 1.704 178.277 176.600 -0.044 0.000 0.996 565 E CA 0.413 56.782 56.400 -0.052 0.000 0.869 565 E CB 0.113 29.764 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.888 118.668 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.037 177.165 176.117 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 1.493 121.989 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.997 178.300 176.300 0.005 0.000 1.121 567 R CA 1.910 58.002 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.815 110.754 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.680 176.386 174.700 0.009 0.000 1.094 568 T CA 0.941 63.053 62.100 0.020 0.000 1.088 568 T CB 0.377 69.270 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.598 112.978 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.077 174.700 0.093 0.000 0.982 569 T CA -0.476 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.181 120.930 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.779 40.326 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.697 176.626 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 63.100 0.041 0.000 0.788 571 P CB 0.560 32.335 31.700 0.125 0.000 0.949 572 V N 1.385 121.310 119.914 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 3.796 126.642 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.222 179.815 177.584 0.016 0.000 1.181 573 A CA 2.322 54.386 52.037 0.044 0.000 0.623 573 A CB -0.710 18.324 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.559 111.998 114.554 0.004 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.765 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.430 62.513 62.100 -0.029 0.000 1.135 574 T CB -0.162 68.682 68.868 -0.040 0.000 0.895 574 T HN 0.380 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 0.559 177.148 176.600 -0.019 0.000 1.213 575 E CA -0.320 56.057 56.400 -0.038 0.000 0.945 575 E CB 0.476 30.154 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.331 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.656 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.044 55.853 55.803 0.010 0.000 1.193 576 Q CB 0.163 28.899 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.292 118.984 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.634 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.151 59.233 58.100 -0.030 0.000 1.193 577 Y CB 0.834 39.275 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.636 108.800 0.048 0.000 2.588 578 G HA2 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.365 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.177 114.747 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.853 173.867 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.659 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 1.730 33.570 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.157 125.986 122.820 0.015 0.000 2.322 581 A HA 0.677 4.997 4.320 -0.001 0.000 0.269 581 A C 0.422 178.012 177.584 0.008 0.000 1.094 581 A CA -0.381 51.663 52.037 0.011 0.000 0.807 581 A CB 0.181 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 1.134 119.837 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.201 174.310 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.110 38.597 38.487 0.001 0.000 1.403 582 N HN 0.739 nan 8.380 nan 0.000 0.501 583 N N -0.207 118.495 118.700 0.004 0.000 3.355 583 N HA 0.203 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.785 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.721 39.209 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.632 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.993 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.507 42.570 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.010 121.814 119.800 0.006 0.000 2.349 585 Q HA 0.408 4.747 4.340 -0.001 0.000 0.287 585 Q C 0.041 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.005 55.801 55.803 0.004 0.000 0.918 585 Q CB 1.139 29.879 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.464 116.165 115.700 0.002 0.000 2.757 586 S HA 0.428 4.898 4.470 -0.001 0.000 0.285 586 S C 0.448 175.048 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.323 63.525 63.200 0.003 0.000 1.212 586 S HN 0.859 nan 8.310 nan 0.000 0.516 587 S N 1.228 116.928 115.700 -0.001 0.000 2.399 587 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 587 S C 1.255 175.854 174.600 -0.002 0.000 1.022 587 S CA 1.111 59.310 58.200 -0.002 0.000 0.983 587 S CB -0.875 62.324 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.537 120.237 118.700 -0.001 0.000 2.300 588 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.053 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.927 53.977 53.050 -0.001 0.000 0.876 588 N CB -0.137 38.349 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.414 114.967 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.966 4.350 -0.001 0.000 0.279 589 T C -0.344 174.355 174.700 -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 4.941 127.760 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.157 175.425 177.584 -0.002 0.000 1.160 590 A CA -1.662 50.373 52.037 -0.003 0.000 0.818 590 A CB -0.260 18.738 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.980 177.300 -0.001 0.000 1.183 591 P CA 0.554 63.654 63.100 -0.000 0.000 0.761 591 P CB 0.276 31.976 31.700 0.001 0.000 0.785 592 T N 2.561 117.114 114.554 -0.001 0.000 2.867 592 T HA 0.409 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 0.957 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.354 117.906 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.290 122.789 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.459 31.756 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 -0.171 174.533 174.700 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 69.507 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.847 125.783 119.914 0.036 0.000 2.408 596 V HA 0.271 4.391 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.343 61.978 62.300 0.034 0.000 0.937 596 V CB 0.457 32.326 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 0.613 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 -0.217 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.177 0.000 0.918 598 D CB 1.527 42.225 40.800 -0.170 0.000 1.462 598 D HN -0.255 nan 8.370 nan 0.000 0.559 599 Q N 2.585 122.206 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.096 175.917 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.673 29.799 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.227 0.000 2.441 600 G HA2 0.490 4.450 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.450 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 -1.269 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.519 52.037 -0.190 0.000 0.822 601 A CB 0.788 19.594 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.095 123.345 121.223 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 2.672 44.780 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 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.679 63.884 63.100 0.175 0.000 0.763 603 P CB 0.723 32.501 31.700 0.130 0.000 0.790 604 G N 2.480 111.446 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.224 175.362 174.900 0.397 0.000 0.997 604 G CA -0.529 44.804 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.502 121.298 119.600 0.327 0.000 2.239 605 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 605 M C 0.697 177.217 176.300 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 1.214 121.310 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.533 174.743 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.860 33.581 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.511 122.771 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.296 175.196 176.519 -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 1.170 121.092 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.795 4.340 -0.001 0.000 0.269 608 Q C -1.083 175.038 176.000 0.202 0.000 1.051 608 Q CA -0.318 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.720 30.464 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.127 120.585 120.400 0.096 0.000 2.440 609 D HA 0.365 5.004 4.640 -0.001 0.000 0.258 609 D C -0.462 175.907 176.300 0.114 0.000 1.092 609 D CA -0.513 53.588 54.000 0.168 0.000 1.016 609 D CB 0.850 41.757 40.800 0.177 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.564 121.154 120.500 0.150 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.259 176.300 0.152 0.000 1.044 610 R CA 0.070 56.259 56.100 0.148 0.000 1.105 610 R CB 0.335 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.449 120.903 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.497 176.300 -0.273 0.000 1.218 611 D CA -0.189 53.785 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.598 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.413 119.229 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.665 176.094 -0.471 0.000 1.054 612 V CA -0.728 61.340 62.300 -0.386 0.000 0.928 612 V CB 1.101 32.691 31.823 -0.388 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.336 122.703 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.313 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.601 122.371 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.723 178.339 176.870 -0.423 0.000 1.084 614 L CA 2.070 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.393 40.937 42.059 -1.215 0.000 0.891 614 L HN 0.821 nan 8.230 nan 0.000 0.435 615 Q N -1.211 118.465 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.021 0.000 0.837 615 Q CA 0.349 56.169 55.803 0.028 0.000 1.032 615 Q CB -0.326 28.347 28.738 -0.108 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.046 110.983 108.800 0.229 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.347 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.076 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.802 177.300 0.075 0.000 1.223 617 P CA -0.239 62.906 63.100 0.074 0.000 0.784 617 P CB 1.133 32.872 31.700 0.065 0.000 0.923 618 I N -0.516 119.935 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.726 177.080 176.117 0.395 0.000 1.082 618 I CA 0.634 61.884 61.300 -0.083 0.000 1.447 618 I CB -0.380 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 1.058 122.512 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.182 175.468 176.519 0.220 0.000 1.190 619 W CA -1.201 56.323 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.334 124.450 122.820 0.493 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.414 176.343 177.584 0.287 0.000 1.060 620 A CA -1.116 51.122 52.037 0.335 0.000 0.710 620 A CB 1.391 20.503 19.000 0.186 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.299 122.824 120.400 0.208 0.000 2.412 621 K HA 0.389 4.709 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 -0.050 56.180 56.287 -0.094 0.000 0.989 621 K CB 0.147 32.404 32.500 -0.405 0.000 0.935 621 K HN 0.579 nan 8.250 nan 0.000 0.475 622 I N 7.753 128.238 120.570 -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 -2.282 58.923 61.300 -0.157 0.000 1.351 622 I CB 0.933 38.759 38.000 -0.289 0.000 1.410 622 I HN 0.520 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.515 176.859 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.194 31.956 31.700 0.103 0.000 0.795 624 H N 2.470 121.562 119.070 0.036 0.000 3.216 624 H HA 0.239 4.795 4.556 -0.001 0.000 0.263 624 H C 0.269 175.651 175.328 0.090 0.000 1.601 624 H CA 0.083 56.167 56.048 0.060 0.000 1.509 624 H CB -0.505 29.261 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.456 114.112 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.489 174.700 -0.235 0.000 1.031 625 T CA -0.938 61.127 62.100 -0.057 0.000 1.002 625 T CB 1.296 70.143 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.462 120.752 120.400 -0.183 0.000 2.224 626 D HA 0.192 4.831 4.640 -0.001 0.000 0.205 626 D C 0.919 177.035 176.300 -0.308 0.000 0.965 626 D CA 1.099 54.984 54.000 -0.192 0.000 0.852 626 D CB -0.222 40.519 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.720 107.830 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.108 173.447 174.900 -0.575 0.000 1.391 627 G CA -0.609 44.236 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.977 120.070 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.676 174.754 175.328 0.171 0.000 1.212 628 H CA -0.652 55.439 56.048 0.071 0.000 1.136 628 H CB 2.362 32.138 29.762 0.023 0.000 1.869 628 H HN 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.101 120.155 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.508 176.451 175.800 0.239 0.000 1.010 629 F CA 0.375 58.474 58.000 0.166 0.000 1.100 629 F CB 0.437 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.176 121.265 119.070 0.032 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 0.103 0.000 1.298 630 H CA -1.883 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.766 30.636 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 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.704 56.559 58.200 0.105 0.000 1.050 632 S CB -0.187 63.129 63.200 0.193 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.030 nan 4.420 nan 0.000 0.262 633 P C 0.596 177.969 177.300 0.121 0.000 1.182 633 P CA 0.129 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.249 123.538 121.223 0.110 0.000 2.201 634 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.365 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 -0.518 119.147 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.205 176.300 0.153 0.000 1.111 635 M CA 0.492 55.863 55.300 0.118 0.000 1.070 635 M CB -0.193 32.463 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.201 108.682 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.237 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.237 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 -1.027 107.767 108.800 -0.010 0.000 2.428 637 G HA2 0.389 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.348 3.960 -0.001 0.000 0.202 637 G C -0.446 174.331 174.900 -0.205 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.823 121.930 119.950 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 0.169 58.304 58.000 0.225 0.000 1.044 638 F CB 2.069 41.214 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.880 113.847 108.800 0.279 0.000 2.320 639 G HA2 0.611 4.571 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.571 3.960 -0.001 0.000 0.300 639 G C -1.019 173.953 174.900 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 2.926 124.201 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.071 177.838 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.336 44.422 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.922 121.181 120.400 -0.235 0.000 2.057 641 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.381 176.600 -0.832 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.491 0.000 0.931 641 K CB 0.063 32.295 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.267 119.168 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.457 172.795 175.328 -0.127 0.000 1.346 642 H CA -2.121 53.702 56.048 -0.375 0.000 1.502 642 H CB 1.169 30.886 29.762 -0.075 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.441 177.300 -0.434 0.000 1.261 643 P CA -1.877 61.047 63.100 -0.294 0.000 0.800 643 P CB 0.025 31.562 31.700 -0.271 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.100 175.029 177.300 -0.286 0.000 1.172 644 P CA -0.269 62.108 63.100 -1.204 0.000 0.762 644 P CB -1.123 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 -0.486 176.733 177.300 -0.134 0.000 1.240 645 P CA -0.039 63.013 63.100 -0.080 0.000 0.791 645 P CB 0.719 32.272 31.700 -0.245 0.000 0.978 646 Q N 0.629 120.326 119.800 -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 -0.285 55.325 55.803 -0.323 0.000 0.912 646 Q CB 0.217 28.712 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.037 123.339 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.508 175.376 176.117 -0.388 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.612 38.254 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.585 125.759 119.600 -0.710 0.000 2.250 648 M HA 0.550 5.029 4.480 -0.001 0.000 0.344 648 M C -0.645 175.637 176.300 -0.029 0.000 1.150 648 M CA -0.246 54.772 55.300 -0.470 0.000 1.147 648 M CB 1.201 33.169 32.600 -1.053 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.117 123.837 120.570 0.249 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.002 0.000 1.267 649 I CA -0.294 61.085 61.300 0.131 0.000 1.036 649 I CB 1.638 39.626 38.000 -0.020 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.967 124.220 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.906 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.581 32.500 -1.038 0.000 1.397 650 K HN 0.348 nan 8.250 nan 0.000 0.422 651 N N 1.305 119.908 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 651 N C -0.742 174.684 175.510 -0.142 0.000 1.169 651 N CA -0.213 52.787 53.050 -0.085 0.000 0.947 651 N CB 0.914 39.402 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.655 118.125 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.698 61.292 62.100 -0.184 0.000 1.147 652 T CB 0.295 69.102 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.205 177.300 -0.291 0.000 1.195 653 P CA -0.132 62.464 63.100 -0.841 0.000 0.762 653 P CB 0.344 31.434 31.700 -1.017 0.000 0.799 654 V N 7.065 126.927 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.107 174.159 176.094 0.286 0.000 1.018 654 V CA -2.101 60.249 62.300 0.084 0.000 0.814 654 V CB 1.350 33.208 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 0.000 1.195 655 P CA 0.416 63.515 63.100 -0.002 0.000 0.768 655 P CB 0.772 32.170 31.700 -0.504 0.000 0.838 656 A N 3.114 126.038 122.820 0.174 0.000 2.450 656 A HA 0.251 4.570 4.320 -0.001 0.000 0.281 656 A C 0.103 177.784 177.584 0.161 0.000 1.372 656 A CA -0.668 51.456 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 1.066 119.827 118.700 0.101 0.000 2.315 657 N HA 0.164 4.903 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.432 52.669 53.050 0.084 0.000 0.860 657 N CB 0.072 38.585 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.310 61.877 63.100 0.145 0.000 0.844 658 P CB 0.411 32.248 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 -0.056 63.049 63.100 0.007 0.000 0.781 659 P CB 0.213 31.893 31.700 -0.033 0.000 0.906 660 T N -0.667 113.909 114.554 0.036 0.000 2.977 660 T HA -0.057 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 63.437 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.983 115.571 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.906 173.863 174.700 0.114 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.298 69.190 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.628 124.585 119.950 0.011 0.000 2.506 662 F HA 0.489 5.015 4.527 -0.001 0.000 0.371 662 F C 0.299 176.105 175.800 0.010 0.000 1.078 662 F CA -0.317 57.694 58.000 0.018 0.000 1.195 662 F CB 0.353 39.366 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.582 122.893 115.700 -0.648 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.683 172.411 174.600 -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 64.292 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.292 177.492 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.116 63.100 -0.400 0.000 0.798 664 P CB -0.108 31.465 31.700 -0.210 0.000 0.796 665 A N 0.870 123.585 122.820 -0.175 0.000 2.586 665 A HA -0.064 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.027 51.950 52.037 -0.101 0.000 0.756 665 A CB -0.417 18.508 19.000 -0.125 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.833 121.234 120.400 0.002 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.731 175.903 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.041 32.596 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.018 122.972 119.950 0.007 0.000 2.467 667 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 667 F C 0.704 176.430 175.800 -0.124 0.000 1.090 667 F CA 0.603 58.547 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 3.035 125.722 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.512 177.982 177.584 -0.190 0.000 1.298 668 A CA 0.080 52.077 52.037 -0.067 0.000 1.008 668 A CB -0.074 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.723 116.182 115.700 -0.401 0.000 2.411 669 S HA 0.639 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.213 0.000 1.068 669 S CB -0.621 62.448 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.363 123.450 119.950 0.228 0.000 2.579 670 F HA 0.554 5.080 4.527 -0.001 0.000 0.324 670 F C 0.417 176.306 175.800 0.147 0.000 1.058 670 F CA -1.194 56.931 58.000 0.209 0.000 0.944 670 F CB 1.306 40.460 39.000 0.256 0.000 1.245 670 F HN 0.295 nan 8.300 nan 0.000 0.477 671 I N 1.794 122.569 120.570 0.343 0.000 2.416 671 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.391 61.035 61.300 0.209 0.000 1.375 671 I CB 0.919 39.008 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.400 119.044 114.554 0.149 0.000 2.834 672 T HA 0.405 4.754 4.350 -0.001 0.000 0.298 672 T C -0.366 174.401 174.700 0.111 0.000 0.966 672 T CA -0.601 61.568 62.100 0.114 0.000 1.141 672 T CB 0.904 69.817 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.054 121.921 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.708 174.382 176.000 0.150 0.000 0.977 673 Q CA -1.347 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.236 30.005 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.022 119.258 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.792 175.097 175.900 -0.017 0.000 1.045 674 Y CA -0.720 57.355 58.100 -0.042 0.000 1.098 674 Y CB 1.979 40.397 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.344 116.025 115.700 -0.032 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.666 174.600 -0.098 0.000 1.094 675 S CA -0.451 57.691 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.132 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.312 113.998 114.554 -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 -1.169 0.000 1.265 676 T CA 0.236 61.830 62.100 -0.843 0.000 1.036 676 T CB 1.031 69.639 68.868 -0.433 0.000 1.209 676 T HN 1.686 nan 8.240 nan 0.000 0.484 677 G N 2.126 109.773 108.800 -1.922 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.511 3.960 -0.001 0.000 0.305 677 G C -1.987 172.223 174.900 -1.150 0.000 1.311 677 G CA -0.667 43.729 45.100 -1.174 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.272 118.186 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.588 175.218 176.000 -0.325 0.000 0.972 678 Q CA -0.707 54.811 55.803 -0.475 0.000 0.889 678 Q CB 2.398 30.731 28.738 -0.675 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.293 120.146 119.914 -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 -0.154 0.000 1.062 679 V CA -0.290 61.911 62.300 -0.164 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 4.150 119.765 115.700 -0.142 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.413 173.054 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 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 4.377 124.192 119.914 -0.166 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 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 5.349 125.501 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.457 175.091 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.073 0.000 0.761 682 E CB 1.461 31.099 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.394 123.901 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.240 175.669 176.117 -0.348 0.000 1.020 683 I CA -0.818 60.319 61.300 -0.271 0.000 1.088 683 I CB 2.082 39.810 38.000 -0.454 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.389 125.334 120.200 -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 -0.448 0.000 0.969 684 E CA -0.615 55.609 56.400 -0.292 0.000 0.796 684 E CB 1.199 30.798 29.700 -0.169 0.000 1.104 684 E HN 0.392 nan 8.360 nan 0.000 0.395 685 W N 2.885 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.094 176.463 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.207 30.728 29.460 0.102 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.352 123.733 120.200 0.301 0.000 2.227 686 E HA 0.464 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.960 176.600 0.578 0.000 1.015 686 E CA -0.399 56.203 56.400 0.336 0.000 0.823 686 E CB 0.773 30.611 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.676 125.176 121.223 0.463 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 -0.742 54.344 54.840 0.410 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 3.215 122.990 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.819 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.333 0.000 0.887 688 Q CB 1.116 29.416 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.327 122.634 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.160 176.145 176.600 -0.492 0.000 1.007 689 K CA -0.088 56.069 56.287 -0.217 0.000 0.941 689 K CB 0.927 33.321 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.217 122.034 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.003 0.000 1.029 690 E CA -0.006 55.606 56.400 -1.314 0.000 0.871 690 E CB 0.447 29.573 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.982 120.980 118.700 -1.170 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.923 173.468 175.510 -0.199 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.962 39.278 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.036 116.644 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.802 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.152 122.607 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.949 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.063 32.492 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.988 121.569 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.247 56.440 56.100 0.154 0.000 1.056 694 R CB 0.038 30.420 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.813 127.132 121.300 0.031 0.000 2.441 695 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.951 58.309 57.345 0.021 0.000 1.327 695 W CB -0.114 29.356 29.460 0.018 0.000 1.128 695 W HN 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.947 120.761 118.700 0.190 0.000 2.503 696 N HA 0.147 4.886 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 -1.298 51.802 53.050 0.084 0.000 0.959 696 N CB -0.392 38.191 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.243 177.078 177.300 0.035 0.000 1.200 697 P CA 0.314 63.408 63.100 -0.010 0.000 0.772 697 P CB 0.550 32.241 31.700 -0.014 0.000 0.855 698 E N 1.216 121.446 120.200 0.050 0.000 2.254 698 E HA 0.381 4.730 4.350 -0.001 0.000 0.261 698 E C 0.236 176.892 176.600 0.094 0.000 1.051 698 E CA -1.055 55.396 56.400 0.084 0.000 0.902 698 E CB 0.920 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 -0.956 119.682 120.570 0.113 0.000 2.529 699 I HA 0.155 4.324 4.170 -0.001 0.000 0.284 699 I C -0.347 175.928 176.117 0.264 0.000 1.082 699 I CA -0.365 61.020 61.300 0.143 0.000 1.406 699 I CB 0.536 38.593 38.000 0.095 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.869 124.828 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.842 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 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 0.829 121.082 120.300 -0.077 0.000 2.346 701 Y HA 0.302 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.118 175.786 175.900 0.006 0.000 1.178 701 Y CA 0.846 58.904 58.100 -0.070 0.000 1.331 701 Y CB 0.973 39.170 38.460 -0.438 0.000 1.253 701 Y HN 0.621 nan 8.280 nan 0.000 0.529 702 T N 3.602 117.790 114.554 -0.609 0.000 2.840 702 T HA 0.443 4.793 4.350 -0.001 0.000 0.317 702 T C -1.225 173.235 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.842 69.657 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.856 117.504 115.700 -0.088 0.000 2.632 703 S HA 0.408 4.877 4.470 -0.001 0.000 0.271 703 S C 0.053 174.673 174.600 0.033 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.283 63.550 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.716 120.432 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.609 176.130 175.510 0.018 0.000 1.195 704 N CA -0.155 52.901 53.050 0.011 0.000 0.943 704 N CB 0.183 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.312 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.599 4.550 -0.001 0.000 0.294 705 Y C 0.062 175.966 175.900 0.007 0.000 1.142 705 Y CA -0.406 57.697 58.100 0.006 0.000 1.314 705 Y CB -0.237 38.225 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.823 121.154 118.700 -0.615 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.026 175.510 -0.200 0.000 1.242 706 N CA -0.000 52.747 53.050 -0.504 0.000 0.898 706 N CB 0.557 38.788 38.487 -0.427 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.873 121.190 120.400 -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 0.169 32.640 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.745 118.417 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.860 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.131 58.200 -0.042 0.000 0.920 708 S CB 1.569 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.703 122.598 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.720 176.798 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 62.300 -0.030 0.000 0.991 709 V CB -0.832 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.747 117.933 118.700 -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 52.417 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 1.395 121.308 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.070 176.041 176.094 0.028 0.000 1.051 711 V CA -0.397 61.921 62.300 0.030 0.000 1.010 711 V CB 0.825 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 4.255 124.696 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.108 176.542 176.300 0.223 0.000 1.142 712 D CA 0.596 54.638 54.000 0.069 0.000 0.872 712 D CB -0.051 40.876 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.150 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.321 176.148 175.800 0.045 0.000 1.048 713 F CA 0.342 58.287 58.000 -0.093 0.000 1.134 713 F CB -1.765 37.297 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.837 113.680 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.069 0.000 1.007 714 T CB 2.145 71.049 68.868 0.059 0.000 1.335 714 T HN 0.364 nan 8.240 nan 0.000 0.504 715 V N 0.384 120.255 119.914 -0.072 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.037 176.083 176.094 -0.080 0.000 1.073 715 V CA -0.630 61.593 62.300 -0.128 0.000 1.064 715 V CB 0.646 32.368 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.995 121.349 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 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 0.255 54.221 54.000 -0.058 0.000 1.087 716 D CB -0.006 40.754 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.141 112.395 114.554 -0.030 0.000 2.737 717 T HA -0.244 4.106 4.350 -0.001 0.000 0.269 717 T C 0.829 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.670 63.758 62.100 -0.019 0.000 1.142 717 T CB -0.978 67.878 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.866 119.554 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.192 175.510 -0.013 0.000 1.158 718 N CA -0.083 52.959 53.050 -0.013 0.000 0.878 718 N CB 0.080 38.559 38.487 -0.013 0.000 1.138 718 N HN 0.578 nan 8.380 nan 0.000 0.509 719 G N 0.019 108.808 108.800 -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 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.857 122.739 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.041 176.003 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.518 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 0.686 176.486 175.900 -0.165 0.000 1.177 721 Y CA 0.306 58.230 58.100 -0.294 0.000 1.422 721 Y CB 1.060 39.279 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.397 119.587 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.499 174.600 -0.835 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.371 64.346 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.998 122.812 120.200 -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 -0.674 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.736 0.000 0.817 723 E CB 0.734 30.281 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.321 64.120 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.634 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 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.369 53.734 56.100 0.005 0.000 0.917 725 R CB 0.431 30.799 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.171 nan 4.420 nan 0.000 0.271 726 P C -0.596 176.833 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.008 0.000 0.864 727 I N 2.687 123.404 120.570 0.246 0.000 2.339 727 I HA 0.310 4.480 4.170 -0.001 0.000 0.290 727 I C 1.271 177.745 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.857 38.912 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.626 112.811 108.800 0.641 0.000 2.468 728 G HA2 0.244 4.204 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.204 3.960 -0.001 0.000 0.264 728 G C 0.510 175.637 174.900 0.378 0.000 1.460 728 G CA 0.302 45.683 45.100 0.468 0.000 1.060 728 G HN 0.571 nan 8.290 nan 0.000 0.543 729 T N -1.616 113.091 114.554 0.255 0.000 3.073 729 T HA 0.171 4.520 4.350 -0.001 0.000 0.264 729 T C 0.794 175.633 174.700 0.232 0.000 0.893 729 T CA -0.283 61.914 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.103 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 0.342 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 -0.169 55.978 56.100 0.077 0.000 1.353 730 R CB 0.202 30.445 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.219 120.545 120.300 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 0.019 58.163 58.100 0.073 0.000 1.263 731 Y CB 0.583 39.099 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.842 122.230 121.223 0.274 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.442 177.387 176.870 0.125 0.000 1.153 732 L CA -0.399 54.612 54.840 0.286 0.000 0.808 732 L CB 0.918 43.300 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.034 114.587 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.513 174.069 174.700 -0.195 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.210 71.107 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.076 122.378 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.884 175.370 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.401 0.000 0.945 734 R CB 1.398 31.074 30.300 -1.040 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.037 119.729 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.023 4.740 -0.001 0.000 0.270 735 N C -0.135 175.439 175.510 0.107 0.000 1.205 735 N CA -0.391 52.698 53.050 0.066 0.000 0.974 735 N CB 0.574 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502