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 3ml6_1_F DATA FIRST_RESID 421 DATA SEQUENCE MDMASVTKAM AAPESGLEVR DRMWLKITIP NAFLGSDVVD WLYHHVEGFP DATA SEQUENCE ERREARKYAS GLLKAGLIRH TVNKITFSEQ CYYVFGDLSG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXPPPYHE LEFGGSGGSR DATA SEQUENCE NELFLDVLES VNLLMSPQGQ VLSAHVSGRV VMKSYLSGMP ECKFGMNDXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXDCTFHQ CVRLSXXXXX RSISFIPPDG DATA SEQUENCE EFELMRYRTT KDIILPFRVI PLVREVGRTK LEVKVVIKSN FKPSLLAQKI DATA SEQUENCE EVRIPTPLNT SGVQVICMKG KAKYKASENA IVWKIKRMAG MKESQISAEI DATA SEQUENCE ELLPTNDKKK WARPPISMNF EVPFAPSGLK VRYLKVFEPK LNYSDHDVIK DATA SEQUENCE WVRYIGRSGI YETRC 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 421 M HA 0.000 nan 4.480 nan 0.000 0.227 421 M C 0.000 176.298 176.300 -0.003 0.000 1.140 421 M CA 0.000 55.286 55.300 -0.022 0.000 0.988 421 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 422 D N 0.374 120.794 120.400 0.033 0.000 2.313 422 D HA 0.423 5.062 4.640 -0.000 0.000 0.247 422 D C 0.532 176.904 176.300 0.120 0.000 1.094 422 D CA -0.075 53.961 54.000 0.060 0.000 0.925 422 D CB 1.234 42.065 40.800 0.053 0.000 1.188 422 D HN 0.662 nan 8.370 nan 0.000 0.430 423 M N 1.573 121.271 119.600 0.163 0.000 2.080 423 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 423 M C 2.056 178.458 176.300 0.170 0.000 1.068 423 M CA 1.694 57.146 55.300 0.253 0.000 1.109 423 M CB -0.337 32.396 32.600 0.221 0.000 1.342 423 M HN 0.513 nan 8.290 nan 0.000 0.405 424 A N 0.804 123.691 122.820 0.112 0.000 1.892 424 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 424 A C 2.287 179.921 177.584 0.083 0.000 1.188 424 A CA 2.660 54.747 52.037 0.084 0.000 0.631 424 A CB -1.107 17.930 19.000 0.063 0.000 0.822 424 A HN 0.626 nan 8.150 nan 0.000 0.447 425 S N -0.178 115.574 115.700 0.087 0.000 2.368 425 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 425 S C 1.763 176.437 174.600 0.122 0.000 1.030 425 S CA 1.393 59.643 58.200 0.082 0.000 0.999 425 S CB -1.177 62.065 63.200 0.070 0.000 0.844 425 S HN 0.334 nan 8.310 nan 0.000 0.459 426 V N 3.414 123.436 119.914 0.180 0.000 2.231 426 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 426 V C 3.135 179.369 176.094 0.233 0.000 1.054 426 V CA 2.351 64.820 62.300 0.282 0.000 1.015 426 V CB -2.113 29.962 31.823 0.419 0.000 0.638 426 V HN 0.794 nan 8.190 nan 0.000 0.444 427 T N -0.641 113.998 114.554 0.142 0.000 2.720 427 T HA -0.282 4.067 4.350 -0.000 0.000 0.268 427 T C 1.759 176.456 174.700 -0.004 0.000 1.037 427 T CA 1.671 63.811 62.100 0.067 0.000 1.144 427 T CB -0.530 68.408 68.868 0.117 0.000 0.864 427 T HN 0.452 nan 8.240 nan 0.000 0.444 428 K N 1.609 122.008 120.400 -0.002 0.000 2.286 428 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 428 K C 2.596 179.161 176.600 -0.059 0.000 1.045 428 K CA 1.002 57.248 56.287 -0.069 0.000 0.935 428 K CB -0.413 32.076 32.500 -0.019 0.000 0.737 428 K HN 0.511 nan 8.250 nan 0.000 0.460 429 A N 1.283 124.123 122.820 0.034 0.000 1.872 429 A HA -0.131 4.188 4.320 -0.000 0.000 0.214 429 A C 2.104 179.699 177.584 0.018 0.000 1.187 429 A CA 1.270 53.390 52.037 0.138 0.000 0.614 429 A CB -0.383 18.873 19.000 0.427 0.000 0.826 429 A HN 0.171 nan 8.150 nan 0.000 0.442 430 M N -0.070 119.338 119.600 -0.320 0.000 2.213 430 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 430 M C 2.440 178.534 176.300 -0.342 0.000 1.062 430 M CA 1.234 56.147 55.300 -0.647 0.000 1.105 430 M CB -0.672 31.385 32.600 -0.905 0.000 1.385 430 M HN 0.440 nan 8.290 nan 0.000 0.417 431 A N 1.323 123.919 122.820 -0.374 0.000 1.869 431 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 431 A C 1.550 178.976 177.584 -0.265 0.000 1.203 431 A CA 1.606 53.347 52.037 -0.494 0.000 0.638 431 A CB -1.262 17.451 19.000 -0.478 0.000 0.831 431 A HN 0.547 nan 8.150 nan 0.000 0.450 432 A N 0.546 123.274 122.820 -0.153 0.000 2.583 432 A HA 0.280 4.600 4.320 -0.000 0.000 0.249 432 A C -0.454 177.085 177.584 -0.074 0.000 1.035 432 A CA -0.034 51.954 52.037 -0.082 0.000 0.777 432 A CB -0.212 18.770 19.000 -0.031 0.000 0.942 432 A HN 0.444 nan 8.150 nan 0.000 0.516 433 P HA -0.154 nan 4.420 nan 0.000 0.223 433 P C 0.561 177.850 177.300 -0.018 0.000 1.144 433 P CA 1.367 64.444 63.100 -0.038 0.000 0.783 433 P CB 0.317 32.002 31.700 -0.026 0.000 0.771 434 E N -0.340 119.854 120.200 -0.011 0.000 2.250 434 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 434 E C 1.240 177.847 176.600 0.012 0.000 0.986 434 E CA 0.001 56.402 56.400 0.002 0.000 0.849 434 E CB -0.401 29.301 29.700 0.003 0.000 0.797 434 E HN 0.114 nan 8.360 nan 0.000 0.482 435 S N -0.606 115.105 115.700 0.018 0.000 2.564 435 S HA 0.030 4.500 4.470 -0.000 0.000 0.263 435 S C 1.588 176.253 174.600 0.108 0.000 1.378 435 S CA 0.324 58.571 58.200 0.080 0.000 0.996 435 S CB 0.637 63.906 63.200 0.114 0.000 0.881 435 S HN 0.308 nan 8.310 nan 0.000 0.555 436 G N 1.530 110.479 108.800 0.249 0.000 2.480 436 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.216 436 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.216 436 G C 0.571 175.639 174.900 0.280 0.000 1.200 436 G CA 0.628 45.934 45.100 0.343 0.000 0.782 436 G HN 0.714 nan 8.290 nan 0.000 0.554 437 L N 1.468 122.790 121.223 0.165 0.000 2.706 437 L HA 0.062 4.401 4.340 -0.000 0.000 0.282 437 L C 0.603 177.434 176.870 -0.066 0.000 1.219 437 L CA -0.005 54.768 54.840 -0.112 0.000 0.935 437 L CB 0.055 41.777 42.059 -0.561 0.000 1.204 437 L HN 0.414 nan 8.230 nan 0.000 0.491 438 E N 4.179 124.376 120.200 -0.005 0.000 2.259 438 E HA 0.442 4.792 4.350 -0.000 0.000 0.281 438 E C -1.456 175.160 176.600 0.026 0.000 1.037 438 E CA -0.592 55.816 56.400 0.014 0.000 0.854 438 E CB 0.761 30.479 29.700 0.030 0.000 1.051 438 E HN 0.501 nan 8.360 nan 0.000 0.409 439 V N 6.034 125.970 119.914 0.038 0.000 2.488 439 V HA 0.471 4.591 4.120 -0.000 0.000 0.293 439 V C -0.178 175.943 176.094 0.045 0.000 1.027 439 V CA -0.776 61.586 62.300 0.103 0.000 0.862 439 V CB 1.293 33.224 31.823 0.179 0.000 1.008 439 V HN 0.724 nan 8.190 nan 0.000 0.428 440 R N 1.723 122.215 120.500 -0.013 0.000 2.869 440 R HA 0.528 4.867 4.340 -0.000 0.000 0.263 440 R C -1.444 174.797 176.300 -0.099 0.000 1.066 440 R CA -0.857 55.218 56.100 -0.042 0.000 0.960 440 R CB 1.997 32.272 30.300 -0.041 0.000 1.221 440 R HN 0.604 nan 8.270 nan 0.000 0.474 441 D N 2.002 122.354 120.400 -0.080 0.000 2.358 441 D HA 0.156 4.796 4.640 -0.000 0.000 0.258 441 D C -0.394 175.845 176.300 -0.102 0.000 1.223 441 D CA 0.190 54.127 54.000 -0.105 0.000 0.886 441 D CB 0.672 41.426 40.800 -0.077 0.000 1.120 441 D HN 0.142 nan 8.370 nan 0.000 0.482 442 R N 1.933 122.356 120.500 -0.130 0.000 2.668 442 R HA 0.536 4.876 4.340 -0.000 0.000 0.279 442 R C -0.067 176.290 176.300 0.096 0.000 0.976 442 R CA -0.833 55.256 56.100 -0.019 0.000 0.978 442 R CB 0.986 31.214 30.300 -0.121 0.000 1.133 442 R HN 0.439 nan 8.270 nan 0.000 0.484 443 M N 2.023 121.738 119.600 0.192 0.000 2.125 443 M HA 0.356 4.836 4.480 -0.000 0.000 0.321 443 M C -1.579 174.895 176.300 0.290 0.000 0.983 443 M CA -0.323 55.083 55.300 0.177 0.000 0.934 443 M CB 1.427 34.076 32.600 0.080 0.000 1.542 443 M HN 0.562 nan 8.290 nan 0.000 0.424 444 W N 8.419 129.738 121.300 0.030 0.000 2.532 444 W HA 0.463 5.123 4.660 0.000 0.000 0.321 444 W C -0.385 176.138 176.519 0.006 0.000 1.037 444 W CA -0.449 56.897 57.345 0.002 0.000 1.220 444 W CB 1.026 30.476 29.460 -0.016 0.000 1.361 444 W HN 0.833 nan 8.180 nan 0.000 0.468 445 L N 2.771 123.878 121.223 -0.194 0.000 6.706 445 L HA -0.481 3.858 4.340 -0.000 0.000 0.053 445 L C 1.483 178.343 176.870 -0.016 0.000 1.950 445 L CA 1.002 55.775 54.840 -0.112 0.000 1.620 445 L CB -1.154 40.902 42.059 -0.005 0.000 2.781 445 L HN 0.445 nan 8.230 nan 0.000 1.068 446 K N -0.046 120.373 120.400 0.032 0.000 2.137 446 K HA 0.206 4.525 4.320 -0.000 0.000 0.202 446 K C 0.869 177.525 176.600 0.093 0.000 1.052 446 K CA 1.121 57.442 56.287 0.056 0.000 0.961 446 K CB -0.130 32.413 32.500 0.070 0.000 0.741 446 K HN 0.280 nan 8.250 nan 0.000 0.452 447 I N 0.944 121.592 120.570 0.130 0.000 3.427 447 I HA -0.090 4.080 4.170 -0.000 0.000 0.272 447 I C 0.202 176.387 176.117 0.114 0.000 1.285 447 I CA 0.559 61.947 61.300 0.148 0.000 1.300 447 I CB 0.134 38.271 38.000 0.229 0.000 1.378 447 I HN -0.103 nan 8.210 nan 0.000 0.634 448 T N 4.148 118.746 114.554 0.073 0.000 3.089 448 T HA 0.368 4.717 4.350 -0.000 0.000 0.340 448 T C -0.258 174.373 174.700 -0.114 0.000 1.008 448 T CA -0.447 61.653 62.100 -0.001 0.000 1.096 448 T CB 0.187 69.028 68.868 -0.045 0.000 1.024 448 T HN 0.218 nan 8.240 nan 0.000 0.477 449 I N 5.510 125.967 120.570 -0.188 0.000 2.598 449 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 449 I C -1.919 173.946 176.117 -0.421 0.000 1.140 449 I CA -2.873 58.097 61.300 -0.550 0.000 1.420 449 I CB -0.205 37.504 38.000 -0.485 0.000 1.387 449 I HN 0.275 nan 8.210 nan 0.000 0.553 450 P HA 0.096 nan 4.420 nan 0.000 0.280 450 P C -0.610 176.570 177.300 -0.200 0.000 1.244 450 P CA -0.341 62.606 63.100 -0.255 0.000 0.784 450 P CB 0.542 32.123 31.700 -0.198 0.000 0.913 451 N N 0.312 118.952 118.700 -0.100 0.000 2.652 451 N HA -0.174 4.566 4.740 -0.000 0.000 0.281 451 N C -0.171 175.319 175.510 -0.033 0.000 1.084 451 N CA 1.053 54.096 53.050 -0.011 0.000 0.775 451 N CB -1.396 37.134 38.487 0.071 0.000 0.923 451 N HN 0.635 nan 8.380 nan 0.000 0.558 452 A N 0.672 123.390 122.820 -0.171 0.000 2.380 452 A HA 0.900 5.220 4.320 -0.000 0.000 0.315 452 A C -0.307 177.068 177.584 -0.347 0.000 1.101 452 A CA -0.855 50.937 52.037 -0.408 0.000 0.771 452 A CB 1.281 19.972 19.000 -0.515 0.000 1.287 452 A HN 0.369 nan 8.150 nan 0.000 0.436 453 F N -0.525 119.257 119.950 -0.280 0.000 2.613 453 F HA 0.749 5.276 4.527 -0.000 0.000 0.314 453 F C -0.862 174.871 175.800 -0.111 0.000 1.075 453 F CA -1.453 56.404 58.000 -0.238 0.000 0.945 453 F CB 0.995 39.885 39.000 -0.184 0.000 1.310 453 F HN 0.451 nan 8.300 nan 0.000 0.467 454 L N 2.103 123.411 121.223 0.141 0.000 2.397 454 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 454 L C 1.417 178.471 176.870 0.307 0.000 1.148 454 L CA 0.453 55.447 54.840 0.256 0.000 0.825 454 L CB 1.346 43.545 42.059 0.233 0.000 1.117 454 L HN 0.947 nan 8.230 nan 0.000 0.456 455 G N 1.207 110.215 108.800 0.348 0.000 2.535 455 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 455 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 455 G C 1.244 176.265 174.900 0.201 0.000 1.122 455 G CA 0.899 46.162 45.100 0.272 0.000 0.769 455 G HN 0.787 nan 8.290 nan 0.000 0.549 456 S N 0.993 116.796 115.700 0.171 0.000 2.341 456 S HA -0.062 4.408 4.470 -0.000 0.000 0.216 456 S C 1.755 176.450 174.600 0.158 0.000 1.034 456 S CA 1.207 59.496 58.200 0.148 0.000 0.964 456 S CB -0.385 62.884 63.200 0.115 0.000 0.882 456 S HN 0.175 nan 8.310 nan 0.000 0.469 457 D N 1.658 122.148 120.400 0.151 0.000 2.280 457 D HA -0.075 4.565 4.640 -0.000 0.000 0.206 457 D C 1.856 178.247 176.300 0.152 0.000 0.988 457 D CA 0.909 54.994 54.000 0.141 0.000 0.886 457 D CB -0.526 40.345 40.800 0.118 0.000 0.914 457 D HN 0.348 nan 8.370 nan 0.000 0.473 458 V N -0.075 119.913 119.914 0.123 0.000 2.379 458 V HA -0.161 3.958 4.120 -0.000 0.000 0.245 458 V C 2.442 178.625 176.094 0.148 0.000 1.044 458 V CA 0.908 63.243 62.300 0.058 0.000 1.036 458 V CB -0.264 31.544 31.823 -0.026 0.000 0.664 458 V HN 0.110 nan 8.190 nan 0.000 0.453 459 V N 0.113 120.117 119.914 0.149 0.000 2.515 459 V HA -0.201 3.918 4.120 -0.000 0.000 0.250 459 V C 2.128 178.335 176.094 0.189 0.000 1.058 459 V CA 1.837 64.206 62.300 0.115 0.000 1.064 459 V CB -0.671 31.220 31.823 0.113 0.000 0.675 459 V HN 0.516 nan 8.190 nan 0.000 0.461 460 D N -0.666 119.890 120.400 0.259 0.000 2.119 460 D HA -0.240 4.400 4.640 -0.000 0.000 0.199 460 D C 1.665 178.299 176.300 0.556 0.000 0.987 460 D CA 1.770 56.019 54.000 0.415 0.000 0.858 460 D CB -0.470 40.462 40.800 0.219 0.000 1.008 460 D HN 0.559 nan 8.370 nan 0.000 0.450 461 W N 1.219 122.629 121.300 0.183 0.000 2.321 461 W HA -0.181 4.479 4.660 -0.000 0.000 0.285 461 W C 1.900 178.564 176.519 0.242 0.000 1.213 461 W CA 0.986 58.469 57.345 0.229 0.000 1.205 461 W CB -0.107 29.461 29.460 0.179 0.000 1.134 461 W HN -0.024 nan 8.180 nan 0.000 0.549 462 L N -0.539 121.066 121.223 0.638 0.000 2.056 462 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 462 L C 2.318 179.318 176.870 0.215 0.000 1.078 462 L CA 1.795 56.934 54.840 0.498 0.000 0.749 462 L CB -0.887 41.330 42.059 0.264 0.000 0.901 462 L HN 0.166 nan 8.230 nan 0.000 0.433 463 Y N -0.659 119.614 120.300 -0.045 0.000 2.262 463 Y HA -0.127 4.423 4.550 -0.000 0.000 0.295 463 Y C 2.794 178.618 175.900 -0.126 0.000 1.121 463 Y CA 1.021 59.046 58.100 -0.125 0.000 1.144 463 Y CB -0.269 38.033 38.460 -0.264 0.000 1.043 463 Y HN 0.154 nan 8.280 nan 0.000 0.528 464 H N -0.893 118.058 119.070 -0.199 0.000 2.289 464 H HA -0.210 4.346 4.556 -0.000 0.000 0.294 464 H C 1.565 176.511 175.328 -0.636 0.000 1.095 464 H CA 2.546 58.324 56.048 -0.451 0.000 1.256 464 H CB -0.429 29.032 29.762 -0.502 0.000 1.359 464 H HN 0.579 nan 8.280 nan 0.000 0.487 465 H N -1.028 117.814 119.070 -0.380 0.000 2.582 465 H HA 0.185 4.740 4.556 -0.000 0.000 0.269 465 H C 0.397 175.440 175.328 -0.475 0.000 0.962 465 H CA -0.170 55.550 56.048 -0.547 0.000 1.230 465 H CB 0.790 29.960 29.762 -0.987 0.000 1.445 465 H HN -0.067 nan 8.280 nan 0.000 0.528 466 V N 3.075 122.818 119.914 -0.285 0.000 2.364 466 V HA 0.080 4.200 4.120 -0.000 0.000 0.272 466 V C -0.158 175.924 176.094 -0.020 0.000 1.036 466 V CA -0.511 61.748 62.300 -0.068 0.000 0.880 466 V CB 1.089 33.057 31.823 0.242 0.000 0.991 466 V HN 0.253 nan 8.190 nan 0.000 0.460 467 E N 3.091 123.222 120.200 -0.116 0.000 2.242 467 E HA 0.645 4.995 4.350 -0.000 0.000 0.275 467 E C 0.940 177.403 176.600 -0.229 0.000 1.002 467 E CA 0.182 56.489 56.400 -0.155 0.000 0.841 467 E CB 1.683 31.295 29.700 -0.147 0.000 1.109 467 E HN 0.874 nan 8.360 nan 0.000 0.394 468 G N 1.302 109.972 108.800 -0.217 0.000 2.183 468 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.168 468 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.168 468 G C -0.552 174.150 174.900 -0.329 0.000 1.008 468 G CA -0.700 44.226 45.100 -0.290 0.000 0.677 468 G HN 0.251 nan 8.290 nan 0.000 0.498 469 F N 1.794 121.743 119.950 -0.002 0.000 2.388 469 F HA 0.491 5.018 4.527 -0.000 0.000 0.358 469 F C -0.270 175.669 175.800 0.232 0.000 1.122 469 F CA -2.070 56.009 58.000 0.130 0.000 1.056 469 F CB 1.860 41.042 39.000 0.304 0.000 1.155 469 F HN -0.111 nan 8.300 nan 0.000 0.461 470 P HA -0.075 nan 4.420 nan 0.000 0.214 470 P C 0.204 177.598 177.300 0.157 0.000 1.162 470 P CA 1.377 64.600 63.100 0.204 0.000 0.874 470 P CB 0.831 32.600 31.700 0.115 0.000 0.784 471 E N -1.520 118.706 120.200 0.044 0.000 2.410 471 E HA 0.214 4.564 4.350 -0.000 0.000 0.269 471 E C 0.564 176.922 176.600 -0.404 0.000 0.937 471 E CA -0.806 55.462 56.400 -0.219 0.000 0.793 471 E CB 1.870 31.498 29.700 -0.121 0.000 1.314 471 E HN -0.203 nan 8.360 nan 0.000 0.447 472 R N 0.771 120.932 120.500 -0.566 0.000 2.328 472 R HA -0.004 4.336 4.340 -0.000 0.000 0.207 472 R C 1.194 177.354 176.300 -0.232 0.000 1.056 472 R CA 1.007 56.818 56.100 -0.481 0.000 1.016 472 R CB 0.156 30.225 30.300 -0.384 0.000 0.872 472 R HN 0.261 nan 8.270 nan 0.000 0.471 473 R N -0.392 120.016 120.500 -0.154 0.000 2.236 473 R HA 0.012 4.351 4.340 -0.000 0.000 0.208 473 R C 1.537 177.824 176.300 -0.021 0.000 1.036 473 R CA 0.587 56.652 56.100 -0.059 0.000 1.001 473 R CB 0.176 30.458 30.300 -0.031 0.000 0.896 473 R HN 0.135 nan 8.270 nan 0.000 0.464 474 E N 0.147 120.334 120.200 -0.022 0.000 2.307 474 E HA 0.111 4.461 4.350 -0.000 0.000 0.195 474 E C 1.678 178.249 176.600 -0.048 0.000 0.975 474 E CA 0.584 57.056 56.400 0.119 0.000 0.878 474 E CB 0.313 30.211 29.700 0.331 0.000 0.845 474 E HN 0.250 nan 8.360 nan 0.000 0.488 475 A N 0.939 123.426 122.820 -0.555 0.000 2.015 475 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 475 A C 2.145 179.509 177.584 -0.366 0.000 1.163 475 A CA 1.155 52.526 52.037 -1.110 0.000 0.646 475 A CB -0.258 18.279 19.000 -0.772 0.000 0.806 475 A HN 0.044 nan 8.150 nan 0.000 0.448 476 R N -0.748 119.650 120.500 -0.170 0.000 2.100 476 R HA 0.010 4.350 4.340 -0.000 0.000 0.220 476 R C 1.902 178.145 176.300 -0.095 0.000 1.091 476 R CA 0.727 56.787 56.100 -0.066 0.000 0.986 476 R CB -0.119 30.224 30.300 0.071 0.000 0.888 476 R HN 0.195 nan 8.270 nan 0.000 0.444 477 K N 0.014 120.420 120.400 0.010 0.000 2.147 477 K HA -0.185 4.134 4.320 -0.000 0.000 0.205 477 K C 1.839 178.493 176.600 0.091 0.000 1.049 477 K CA 1.156 57.479 56.287 0.060 0.000 0.936 477 K CB -0.311 32.259 32.500 0.117 0.000 0.722 477 K HN 0.214 nan 8.250 nan 0.000 0.446 478 Y N 1.147 121.456 120.300 0.015 0.000 2.184 478 Y HA -0.088 4.462 4.550 -0.000 0.000 0.290 478 Y C 2.077 177.914 175.900 -0.105 0.000 1.129 478 Y CA 1.037 59.183 58.100 0.076 0.000 1.144 478 Y CB -0.676 38.017 38.460 0.388 0.000 0.995 478 Y HN 0.036 nan 8.280 nan 0.000 0.513 479 A N -0.834 121.780 122.820 -0.343 0.000 1.917 479 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 479 A C 2.566 179.609 177.584 -0.901 0.000 1.182 479 A CA 2.206 53.821 52.037 -0.703 0.000 0.633 479 A CB -1.452 17.073 19.000 -0.793 0.000 0.819 479 A HN 0.489 nan 8.150 nan 0.000 0.448 480 S N -0.798 114.378 115.700 -0.873 0.000 2.419 480 S HA -0.016 4.453 4.470 -0.000 0.000 0.233 480 S C 1.930 176.395 174.600 -0.225 0.000 1.016 480 S CA 1.569 59.444 58.200 -0.540 0.000 0.974 480 S CB -0.569 62.521 63.200 -0.183 0.000 0.786 480 S HN 0.720 nan 8.310 nan 0.000 0.492 481 G N 1.511 110.198 108.800 -0.189 0.000 2.403 481 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 481 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 481 G C 1.332 176.151 174.900 -0.135 0.000 1.154 481 G CA 0.746 45.801 45.100 -0.074 0.000 0.784 481 G HN 0.550 nan 8.290 nan 0.000 0.538 482 L N -0.118 120.921 121.223 -0.307 0.000 2.141 482 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 482 L C 2.625 179.414 176.870 -0.136 0.000 1.094 482 L CA 0.387 55.069 54.840 -0.264 0.000 0.763 482 L CB -0.588 41.227 42.059 -0.407 0.000 0.908 482 L HN 0.222 nan 8.230 nan 0.000 0.437 483 L N 0.241 121.385 121.223 -0.132 0.000 2.056 483 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 483 L C 2.495 179.403 176.870 0.063 0.000 1.078 483 L CA 1.798 56.651 54.840 0.021 0.000 0.749 483 L CB -0.547 41.596 42.059 0.140 0.000 0.901 483 L HN 0.077 nan 8.230 nan 0.000 0.433 484 K N -0.768 119.655 120.400 0.038 0.000 2.217 484 K HA -0.004 4.315 4.320 -0.000 0.000 0.202 484 K C 1.948 178.573 176.600 0.041 0.000 1.051 484 K CA 0.848 57.166 56.287 0.052 0.000 0.952 484 K CB -0.062 32.466 32.500 0.047 0.000 0.736 484 K HN 0.497 nan 8.250 nan 0.000 0.453 485 A N 0.061 122.893 122.820 0.020 0.000 1.969 485 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 485 A C 1.646 179.252 177.584 0.037 0.000 1.169 485 A CA 1.780 53.832 52.037 0.025 0.000 0.635 485 A CB -0.411 18.593 19.000 0.007 0.000 0.810 485 A HN 0.500 nan 8.150 nan 0.000 0.445 486 G N -1.518 107.306 108.800 0.040 0.000 2.254 486 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.225 486 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.225 486 G C 0.963 175.903 174.900 0.067 0.000 1.003 486 G CA 0.316 45.452 45.100 0.059 0.000 0.622 486 G HN 0.433 nan 8.290 nan 0.000 0.507 487 L N 0.255 121.509 121.223 0.050 0.000 2.263 487 L HA 0.077 4.417 4.340 -0.000 0.000 0.216 487 L C 0.711 177.638 176.870 0.096 0.000 1.111 487 L CA 0.883 55.770 54.840 0.079 0.000 0.773 487 L CB -0.250 41.836 42.059 0.044 0.000 0.906 487 L HN 0.226 nan 8.230 nan 0.000 0.439 488 I N -0.262 120.329 120.570 0.036 0.000 2.478 488 I HA 0.293 4.462 4.170 -0.000 0.000 0.287 488 I C -0.077 176.095 176.117 0.093 0.000 1.042 488 I CA -0.295 61.017 61.300 0.021 0.000 1.067 488 I CB 1.777 39.719 38.000 -0.097 0.000 1.233 488 I HN 0.036 nan 8.210 nan 0.000 0.431 489 R N 3.686 124.253 120.500 0.113 0.000 2.474 489 R HA 0.368 4.708 4.340 -0.000 0.000 0.295 489 R C -0.134 176.254 176.300 0.147 0.000 0.980 489 R CA -0.852 55.332 56.100 0.139 0.000 0.934 489 R CB 1.480 31.844 30.300 0.106 0.000 1.101 489 R HN 0.453 nan 8.270 nan 0.000 0.469 490 H N 1.627 120.750 119.070 0.088 0.000 2.819 490 H HA -0.002 4.554 4.556 -0.000 0.000 0.303 490 H C 0.659 175.896 175.328 -0.152 0.000 1.058 490 H CA 0.524 56.519 56.048 -0.089 0.000 1.471 490 H CB 1.206 30.933 29.762 -0.059 0.000 1.480 490 H HN 0.606 nan 8.280 nan 0.000 0.517 491 T N 3.586 118.017 114.554 -0.205 0.000 2.624 491 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 491 T C 0.856 175.563 174.700 0.012 0.000 1.041 491 T CA 1.828 63.876 62.100 -0.086 0.000 1.159 491 T CB -0.084 68.636 68.868 -0.246 0.000 0.863 491 T HN 0.529 nan 8.240 nan 0.000 0.434 492 V N 0.121 120.020 119.914 -0.025 0.000 2.540 492 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 492 V C -0.506 175.544 176.094 -0.073 0.000 1.035 492 V CA -1.620 60.654 62.300 -0.044 0.000 0.873 492 V CB 1.543 33.315 31.823 -0.085 0.000 0.992 492 V HN 0.152 nan 8.190 nan 0.000 0.428 493 N N 3.865 122.519 118.700 -0.077 0.000 1.939 493 N HA -0.057 4.683 4.740 -0.000 0.000 0.301 493 N C -0.381 175.003 175.510 -0.211 0.000 1.353 493 N CA 1.088 54.071 53.050 -0.111 0.000 0.851 493 N CB -0.113 38.331 38.487 -0.071 0.000 1.153 493 N HN 0.811 nan 8.380 nan 0.000 0.496 494 K N 1.949 122.131 120.400 -0.363 0.000 2.557 494 K HA 0.200 4.519 4.320 -0.000 0.000 0.257 494 K C 1.245 177.607 176.600 -0.396 0.000 0.933 494 K CA -0.603 55.399 56.287 -0.475 0.000 0.820 494 K CB 1.282 33.306 32.500 -0.792 0.000 1.330 494 K HN 0.306 nan 8.250 nan 0.000 0.432 495 I N -1.046 119.411 120.570 -0.188 0.000 2.296 495 I HA 0.008 4.178 4.170 -0.000 0.000 0.242 495 I C 1.046 177.171 176.117 0.013 0.000 1.087 495 I CA 0.256 61.518 61.300 -0.062 0.000 1.393 495 I CB -0.550 37.433 38.000 -0.028 0.000 1.093 495 I HN 0.531 nan 8.210 nan 0.000 0.421 496 T N 0.029 114.587 114.554 0.007 0.000 2.919 496 T HA 0.201 4.551 4.350 -0.000 0.000 0.302 496 T C -0.372 174.454 174.700 0.211 0.000 1.031 496 T CA -0.526 61.631 62.100 0.096 0.000 1.127 496 T CB 0.789 69.688 68.868 0.051 0.000 0.952 496 T HN 0.251 nan 8.240 nan 0.000 0.540 497 F N 3.554 123.603 119.950 0.165 0.000 2.468 497 F HA 0.440 4.967 4.527 -0.000 0.000 0.356 497 F C 0.219 176.155 175.800 0.226 0.000 1.167 497 F CA -0.591 57.560 58.000 0.252 0.000 1.135 497 F CB -0.525 38.550 39.000 0.126 0.000 1.197 497 F HN 0.662 nan 8.300 nan 0.000 0.569 498 S N 4.328 119.848 115.700 -0.299 0.000 2.669 498 S HA 0.174 4.644 4.470 -0.000 0.000 0.270 498 S C 0.867 175.003 174.600 -0.772 0.000 1.225 498 S CA -0.660 57.297 58.200 -0.405 0.000 0.991 498 S CB 1.516 64.634 63.200 -0.138 0.000 0.987 498 S HN 0.851 nan 8.310 nan 0.000 0.552 499 E N -0.449 119.491 120.200 -0.435 0.000 2.539 499 E HA 0.041 4.391 4.350 -0.000 0.000 0.215 499 E C 0.321 176.878 176.600 -0.073 0.000 0.965 499 E CA 0.010 56.243 56.400 -0.278 0.000 1.019 499 E CB 0.224 29.839 29.700 -0.141 0.000 1.059 499 E HN 0.681 nan 8.360 nan 0.000 0.496 500 Q N 0.440 120.183 119.800 -0.094 0.000 2.225 500 Q HA 0.217 4.556 4.340 -0.000 0.000 0.259 500 Q C -0.238 175.672 176.000 -0.150 0.000 0.872 500 Q CA -0.332 55.432 55.803 -0.065 0.000 1.042 500 Q CB 0.171 28.880 28.738 -0.049 0.000 1.142 500 Q HN 0.151 nan 8.270 nan 0.000 0.463 501 C N -1.710 117.476 119.300 -0.191 0.000 2.797 501 C HA 0.694 5.154 4.460 -0.000 0.000 0.306 501 C C -0.392 174.361 174.990 -0.395 0.000 1.207 501 C CA -1.296 57.463 59.018 -0.432 0.000 1.507 501 C CB 0.426 27.893 27.740 -0.454 0.000 2.028 501 C HN 0.253 nan 8.230 nan 0.000 0.475 502 Y N 0.512 120.442 120.300 -0.617 0.000 2.357 502 Y HA 0.508 5.058 4.550 -0.001 0.000 0.340 502 Y C 0.203 175.592 175.900 -0.851 0.000 1.260 502 Y CA -0.382 57.376 58.100 -0.570 0.000 1.425 502 Y CB 0.076 38.213 38.460 -0.537 0.000 1.326 502 Y HN 0.747 nan 8.280 nan 0.000 0.580 503 Y N -1.185 118.708 120.300 -0.678 0.000 2.615 503 Y HA 0.604 5.154 4.550 -0.000 0.000 0.341 503 Y C -0.496 174.649 175.900 -1.257 0.000 1.089 503 Y CA -1.411 56.180 58.100 -0.849 0.000 1.049 503 Y CB 2.051 40.078 38.460 -0.721 0.000 1.296 503 Y HN 0.357 nan 8.280 nan 0.000 0.470 504 V N -1.323 118.276 119.914 -0.526 0.000 2.925 504 V HA 0.622 4.742 4.120 -0.000 0.000 0.311 504 V C -0.894 175.192 176.094 -0.013 0.000 1.104 504 V CA -1.301 60.813 62.300 -0.310 0.000 0.954 504 V CB 1.463 33.194 31.823 -0.153 0.000 1.022 504 V HN 0.596 nan 8.190 nan 0.000 0.427 505 F N 2.435 122.523 119.950 0.229 0.000 2.535 505 F HA 0.612 5.139 4.527 -0.001 0.000 0.332 505 F C 1.536 177.393 175.800 0.094 0.000 1.208 505 F CA 1.790 59.893 58.000 0.172 0.000 1.330 505 F CB 0.574 39.642 39.000 0.113 0.000 1.167 505 F HN 0.945 nan 8.300 nan 0.000 0.597 506 G N -0.251 108.732 108.800 0.305 0.000 2.828 506 G HA2 0.297 4.257 3.960 -0.000 0.000 0.244 506 G HA3 0.297 4.257 3.960 -0.000 0.000 0.244 506 G C -1.507 173.485 174.900 0.154 0.000 1.365 506 G CA -0.657 44.551 45.100 0.180 0.000 1.041 506 G HN 0.608 nan 8.290 nan 0.000 0.560 507 D N -0.233 120.230 120.400 0.105 0.000 2.359 507 D HA 0.153 4.793 4.640 -0.000 0.000 0.250 507 D C 1.253 177.596 176.300 0.071 0.000 1.264 507 D CA -0.179 53.869 54.000 0.079 0.000 0.911 507 D CB 0.176 41.012 40.800 0.061 0.000 1.056 507 D HN 0.146 nan 8.370 nan 0.000 0.499 508 L N 2.590 123.847 121.223 0.057 0.000 2.492 508 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 508 L C 1.532 178.418 176.870 0.027 0.000 1.132 508 L CA -0.072 54.790 54.840 0.035 0.000 0.850 508 L CB -0.620 41.429 42.059 -0.016 0.000 0.966 508 L HN 0.434 nan 8.230 nan 0.000 0.454 509 S N -0.383 115.337 115.700 0.034 0.000 2.546 509 S HA 0.408 4.878 4.470 -0.000 0.000 0.265 509 S C 0.738 175.359 174.600 0.035 0.000 1.190 509 S CA -0.189 58.031 58.200 0.034 0.000 1.014 509 S CB 0.502 63.730 63.200 0.047 0.000 1.087 509 S HN 0.092 nan 8.310 nan 0.000 0.525 1156 P HA 0.087 nan 4.420 nan 0.000 0.256 1156 P C -1.721 175.535 177.300 -0.073 0.000 1.173 1156 P CA -0.153 62.920 63.100 -0.045 0.000 0.768 1156 P CB 0.196 31.854 31.700 -0.071 0.000 0.758 1157 P HA 0.068 nan 4.420 nan 0.000 0.270 1157 P C -0.189 177.121 177.300 0.016 0.000 1.223 1157 P CA -0.019 63.097 63.100 0.026 0.000 0.785 1157 P CB 0.715 32.455 31.700 0.066 0.000 0.923 1158 Y N -0.288 120.043 120.300 0.051 0.000 2.370 1158 Y HA 0.319 4.868 4.550 -0.000 0.000 0.377 1158 Y C 1.313 177.308 175.900 0.159 0.000 1.371 1158 Y CA 0.489 58.632 58.100 0.070 0.000 1.756 1158 Y CB 0.564 39.024 38.460 -0.001 0.000 1.693 1158 Y HN 0.420 nan 8.280 nan 0.000 0.595 1159 H N -0.382 118.815 119.070 0.213 0.000 3.094 1159 H HA 0.086 4.641 4.556 -0.000 0.000 0.346 1159 H C -1.454 173.923 175.328 0.083 0.000 1.238 1159 H CA -0.887 55.220 56.048 0.097 0.000 1.209 1159 H CB 1.874 31.668 29.762 0.053 0.000 1.911 1159 H HN 0.632 nan 8.280 nan 0.000 0.540 1160 E N 2.754 123.014 120.200 0.100 0.000 2.376 1160 E HA 0.034 4.384 4.350 -0.000 0.000 0.266 1160 E C -0.529 176.136 176.600 0.108 0.000 1.009 1160 E CA -0.619 55.828 56.400 0.077 0.000 0.902 1160 E CB 0.612 30.333 29.700 0.036 0.000 0.972 1160 E HN 0.210 nan 8.360 nan 0.000 0.439 1161 L N 5.126 126.401 121.223 0.087 0.000 2.433 1161 L HA 0.158 4.498 4.340 -0.000 0.000 0.275 1161 L C -0.556 176.362 176.870 0.080 0.000 1.128 1161 L CA 0.754 55.642 54.840 0.081 0.000 0.875 1161 L CB 0.289 42.388 42.059 0.067 0.000 1.171 1161 L HN 0.620 nan 8.230 nan 0.000 0.463 1162 E N 3.332 123.582 120.200 0.083 0.000 2.334 1162 E HA 0.236 4.585 4.350 -0.000 0.000 0.256 1162 E C -1.273 175.402 176.600 0.126 0.000 0.958 1162 E CA -0.871 55.592 56.400 0.104 0.000 0.821 1162 E CB 1.558 31.315 29.700 0.095 0.000 1.269 1162 E HN 0.474 nan 8.360 nan 0.000 0.413 1163 F N 1.526 121.486 119.950 0.017 0.000 2.652 1163 F HA 0.310 4.837 4.527 -0.000 0.000 0.352 1163 F C 0.650 176.456 175.800 0.009 0.000 1.259 1163 F CA 0.217 58.224 58.000 0.011 0.000 1.249 1163 F CB -0.498 38.508 39.000 0.009 0.000 1.628 1163 F HN 0.596 nan 8.300 nan 0.000 0.654 1164 G N 3.197 111.833 108.800 -0.273 0.000 2.385 1164 G HA2 0.124 4.084 3.960 -0.000 0.000 0.294 1164 G HA3 0.124 4.084 3.960 -0.000 0.000 0.294 1164 G C 0.025 174.887 174.900 -0.063 0.000 1.070 1164 G CA -0.038 44.929 45.100 -0.223 0.000 1.172 1164 G HN 1.363 nan 8.290 nan 0.000 0.516 1165 G N -1.199 107.591 108.800 -0.016 0.000 2.673 1165 G HA2 0.787 4.747 3.960 -0.000 0.000 0.292 1165 G HA3 0.787 4.747 3.960 -0.000 0.000 0.292 1165 G C -0.158 174.769 174.900 0.045 0.000 1.450 1165 G CA 0.417 45.532 45.100 0.025 0.000 0.837 1165 G HN 1.656 nan 8.290 nan 0.000 0.505 1166 S N 0.303 116.043 115.700 0.065 0.000 2.642 1166 S HA 0.579 5.049 4.470 -0.000 0.000 0.309 1166 S C 0.768 175.494 174.600 0.209 0.000 1.125 1166 S CA -0.051 58.237 58.200 0.148 0.000 1.055 1166 S CB 0.785 64.055 63.200 0.116 0.000 1.157 1166 S HN 1.256 nan 8.310 nan 0.000 0.513 1167 G N 2.046 110.986 108.800 0.234 0.000 2.442 1167 G HA2 0.492 4.452 3.960 -0.000 0.000 0.249 1167 G HA3 0.492 4.452 3.960 -0.000 0.000 0.249 1167 G C 0.593 175.480 174.900 -0.022 0.000 1.263 1167 G CA -0.490 44.675 45.100 0.109 0.000 0.846 1167 G HN 0.975 nan 8.290 nan 0.000 0.555 1168 G N 1.042 109.792 108.800 -0.084 0.000 2.368 1168 G HA2 0.307 4.267 3.960 -0.000 0.000 0.233 1168 G HA3 0.307 4.267 3.960 -0.000 0.000 0.233 1168 G C 0.716 175.400 174.900 -0.360 0.000 1.267 1168 G CA 0.090 45.076 45.100 -0.190 0.000 0.873 1168 G HN 0.803 nan 8.290 nan 0.000 0.539 1169 S N 0.508 115.919 115.700 -0.482 0.000 2.554 1169 S HA 0.037 4.507 4.470 -0.000 0.000 0.290 1169 S C 1.025 175.493 174.600 -0.221 0.000 1.309 1169 S CA -0.051 57.890 58.200 -0.431 0.000 1.047 1169 S CB 0.395 63.428 63.200 -0.279 0.000 0.828 1169 S HN 0.866 nan 8.310 nan 0.000 0.509 1170 R N 1.744 122.180 120.500 -0.108 0.000 2.389 1170 R HA 0.231 4.571 4.340 -0.000 0.000 0.295 1170 R C -0.867 175.407 176.300 -0.044 0.000 1.075 1170 R CA -0.152 55.922 56.100 -0.043 0.000 1.005 1170 R CB 0.176 30.483 30.300 0.013 0.000 0.987 1170 R HN 0.482 nan 8.270 nan 0.000 0.452 1171 N N 2.858 121.538 118.700 -0.033 0.000 2.716 1171 N HA 0.048 4.787 4.740 -0.000 0.000 0.245 1171 N C -1.446 174.117 175.510 0.088 0.000 1.495 1171 N CA -0.376 52.663 53.050 -0.018 0.000 0.759 1171 N CB 1.238 39.578 38.487 -0.246 0.000 1.261 1171 N HN 0.855 nan 8.380 nan 0.000 0.515 1172 E N 0.455 120.767 120.200 0.186 0.000 2.334 1172 E HA 0.732 5.081 4.350 -0.000 0.000 0.256 1172 E C -0.889 175.900 176.600 0.316 0.000 0.958 1172 E CA -0.800 55.722 56.400 0.204 0.000 0.821 1172 E CB 1.700 31.536 29.700 0.227 0.000 1.269 1172 E HN 0.063 nan 8.360 nan 0.000 0.413 1173 L N -2.326 119.016 121.223 0.198 0.000 2.540 1173 L HA 0.650 4.989 4.340 -0.000 0.000 0.256 1173 L C -1.424 175.514 176.870 0.114 0.000 1.001 1173 L CA -0.935 54.071 54.840 0.277 0.000 0.843 1173 L CB 1.062 43.227 42.059 0.176 0.000 1.436 1173 L HN 0.508 nan 8.230 nan 0.000 0.410 1174 F N 1.472 121.513 119.950 0.152 0.000 2.529 1174 F HA 0.746 5.273 4.527 -0.000 0.000 0.320 1174 F C -0.485 175.347 175.800 0.054 0.000 1.118 1174 F CA -0.733 57.351 58.000 0.140 0.000 0.915 1174 F CB 2.066 41.137 39.000 0.118 0.000 1.161 1174 F HN 0.338 nan 8.300 nan 0.000 0.445 1175 L N 3.877 125.206 121.223 0.177 0.000 2.305 1175 L HA 0.478 4.817 4.340 -0.000 0.000 0.284 1175 L C -1.049 175.890 176.870 0.114 0.000 1.013 1175 L CA -0.528 54.376 54.840 0.107 0.000 0.819 1175 L CB 1.578 43.657 42.059 0.033 0.000 1.227 1175 L HN 0.509 nan 8.230 nan 0.000 0.417 1176 D N 2.979 123.449 120.400 0.116 0.000 2.502 1176 D HA 0.315 4.954 4.640 -0.000 0.000 0.249 1176 D C -0.762 175.637 176.300 0.166 0.000 1.092 1176 D CA -0.201 53.873 54.000 0.122 0.000 0.839 1176 D CB 3.200 44.053 40.800 0.090 0.000 1.264 1176 D HN 0.039 nan 8.370 nan 0.000 0.511 1177 V N 4.264 124.330 119.914 0.254 0.000 2.311 1177 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 1177 V C 0.169 176.405 176.094 0.237 0.000 1.022 1177 V CA -0.484 61.997 62.300 0.302 0.000 0.830 1177 V CB 0.940 33.063 31.823 0.500 0.000 1.012 1177 V HN 0.351 nan 8.190 nan 0.000 0.452 1178 L N 5.764 127.094 121.223 0.178 0.000 2.283 1178 L HA 0.540 4.879 4.340 -0.000 0.000 0.281 1178 L C 0.231 177.161 176.870 0.099 0.000 1.033 1178 L CA -0.061 54.851 54.840 0.121 0.000 0.848 1178 L CB 1.029 43.138 42.059 0.082 0.000 1.226 1178 L HN 0.603 nan 8.230 nan 0.000 0.429 1179 E N 1.308 121.553 120.200 0.075 0.000 2.235 1179 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 1179 E C -0.910 175.681 176.600 -0.015 0.000 0.940 1179 E CA -0.620 55.787 56.400 0.011 0.000 0.819 1179 E CB 2.465 32.180 29.700 0.024 0.000 1.206 1179 E HN 0.270 nan 8.360 nan 0.000 0.409 1180 S N 1.253 116.912 115.700 -0.067 0.000 2.707 1180 S HA 0.324 4.794 4.470 -0.000 0.000 0.303 1180 S C -0.994 173.546 174.600 -0.101 0.000 1.132 1180 S CA -0.787 57.371 58.200 -0.070 0.000 1.046 1180 S CB 0.801 63.951 63.200 -0.084 0.000 1.004 1180 S HN 0.391 nan 8.310 nan 0.000 0.483 1181 V N 3.598 123.503 119.914 -0.016 0.000 2.546 1181 V HA 0.690 4.810 4.120 -0.000 0.000 0.284 1181 V C -0.480 175.657 176.094 0.072 0.000 1.050 1181 V CA -0.494 61.830 62.300 0.040 0.000 0.981 1181 V CB 1.265 33.228 31.823 0.234 0.000 0.990 1181 V HN 0.832 nan 8.190 nan 0.000 0.474 1182 N N 4.473 123.170 118.700 -0.005 0.000 2.448 1182 N HA 0.641 5.381 4.740 -0.000 0.000 0.279 1182 N C -1.251 174.309 175.510 0.084 0.000 1.025 1182 N CA -0.319 52.767 53.050 0.060 0.000 0.898 1182 N CB 2.472 40.978 38.487 0.032 0.000 1.303 1182 N HN 0.767 nan 8.380 nan 0.000 0.495 1183 L N 1.761 122.973 121.223 -0.019 0.000 2.303 1183 L HA 0.715 5.055 4.340 -0.000 0.000 0.256 1183 L C -1.665 175.111 176.870 -0.157 0.000 1.034 1183 L CA -0.860 53.882 54.840 -0.163 0.000 0.832 1183 L CB 2.077 43.850 42.059 -0.477 0.000 1.403 1183 L HN 0.389 nan 8.230 nan 0.000 0.419 1184 L N 3.009 124.155 121.223 -0.127 0.000 2.420 1184 L HA 0.453 4.793 4.340 -0.000 0.000 0.260 1184 L C -0.894 175.930 176.870 -0.078 0.000 1.508 1184 L CA -0.015 54.773 54.840 -0.086 0.000 0.835 1184 L CB 0.604 42.637 42.059 -0.043 0.000 1.018 1184 L HN 0.782 nan 8.230 nan 0.000 0.520 1185 M N 1.432 120.971 119.600 -0.101 0.000 2.240 1185 M HA 0.420 4.900 4.480 -0.000 0.000 0.333 1185 M C 0.459 176.736 176.300 -0.038 0.000 1.110 1185 M CA 0.248 55.509 55.300 -0.065 0.000 1.173 1185 M CB 1.204 33.763 32.600 -0.068 0.000 1.458 1185 M HN 0.735 nan 8.290 nan 0.000 0.458 1186 S N 3.374 119.059 115.700 -0.025 0.000 2.693 1186 S HA 0.450 4.919 4.470 -0.000 0.000 0.276 1186 S C -2.189 172.405 174.600 -0.010 0.000 1.192 1186 S CA -1.167 57.021 58.200 -0.020 0.000 0.994 1186 S CB 0.880 64.069 63.200 -0.019 0.000 1.012 1186 S HN 0.613 nan 8.310 nan 0.000 0.550 1187 P HA -0.139 nan 4.420 nan 0.000 0.218 1187 P C 0.529 177.833 177.300 0.006 0.000 1.150 1187 P CA 1.485 64.584 63.100 -0.001 0.000 0.841 1187 P CB -0.062 31.632 31.700 -0.009 0.000 0.784 1188 Q N -2.580 117.221 119.800 0.003 0.000 2.282 1188 Q HA 0.414 4.753 4.340 -0.000 0.000 0.206 1188 Q C 1.372 177.377 176.000 0.009 0.000 0.878 1188 Q CA 0.685 56.492 55.803 0.006 0.000 0.944 1188 Q CB -0.158 28.582 28.738 0.003 0.000 1.100 1188 Q HN 0.213 nan 8.270 nan 0.000 0.509 1189 G N -0.701 108.104 108.800 0.008 0.000 2.253 1189 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.209 1189 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.209 1189 G C -0.120 174.781 174.900 0.001 0.000 0.997 1189 G CA -0.609 44.498 45.100 0.010 0.000 0.640 1189 G HN 0.170 nan 8.290 nan 0.000 0.496 1190 Q N 1.600 121.399 119.800 -0.003 0.000 2.318 1190 Q HA 0.320 4.660 4.340 -0.000 0.000 0.270 1190 Q C 0.697 176.689 176.000 -0.014 0.000 1.237 1190 Q CA 0.204 56.002 55.803 -0.007 0.000 0.937 1190 Q CB 0.488 29.220 28.738 -0.009 0.000 1.375 1190 Q HN 0.378 nan 8.270 nan 0.000 0.452 1191 V N 5.244 125.149 119.914 -0.014 0.000 2.529 1191 V HA -0.039 4.081 4.120 -0.000 0.000 0.292 1191 V C 1.541 177.623 176.094 -0.021 0.000 1.028 1191 V CA 0.352 62.639 62.300 -0.022 0.000 1.074 1191 V CB 0.187 31.999 31.823 -0.017 0.000 0.958 1191 V HN 0.675 nan 8.190 nan 0.000 0.481 1192 L N 3.422 124.629 121.223 -0.027 0.000 2.471 1192 L HA 0.265 4.605 4.340 -0.000 0.000 0.186 1192 L C 1.268 178.125 176.870 -0.021 0.000 1.191 1192 L CA 0.451 55.276 54.840 -0.024 0.000 0.835 1192 L CB -0.342 41.700 42.059 -0.028 0.000 1.092 1192 L HN 0.622 nan 8.230 nan 0.000 0.495 1193 S N 0.021 115.707 115.700 -0.023 0.000 2.508 1193 S HA 0.733 5.203 4.470 -0.000 0.000 0.284 1193 S C -0.606 174.005 174.600 0.018 0.000 1.192 1193 S CA -0.218 57.976 58.200 -0.009 0.000 1.070 1193 S CB 1.305 64.499 63.200 -0.011 0.000 1.004 1193 S HN 0.352 nan 8.310 nan 0.000 0.493 1194 A N 3.749 126.606 122.820 0.062 0.000 2.532 1194 A HA 0.672 4.991 4.320 -0.000 0.000 0.296 1194 A C -1.000 176.702 177.584 0.197 0.000 1.058 1194 A CA -0.685 51.414 52.037 0.104 0.000 0.729 1194 A CB 1.015 20.042 19.000 0.046 0.000 1.285 1194 A HN 1.426 nan 8.150 nan 0.000 0.396 1195 H N -0.548 118.520 119.070 -0.003 0.000 3.020 1195 H HA 0.560 5.115 4.556 -0.000 0.000 0.303 1195 H C -2.503 172.816 175.328 -0.015 0.000 1.332 1195 H CA -0.696 55.341 56.048 -0.017 0.000 1.282 1195 H CB 0.381 30.124 29.762 -0.032 0.000 1.928 1195 H HN 0.728 nan 8.280 nan 0.000 0.519 1196 V N 1.812 121.583 119.914 -0.238 0.000 2.495 1196 V HA 0.392 4.511 4.120 -0.000 0.000 0.298 1196 V C 0.203 176.097 176.094 -0.333 0.000 1.031 1196 V CA -0.562 61.556 62.300 -0.304 0.000 0.871 1196 V CB 1.541 33.261 31.823 -0.171 0.000 0.988 1196 V HN 0.799 nan 8.190 nan 0.000 0.432 1197 S N 3.478 118.978 115.700 -0.333 0.000 2.474 1197 S HA 0.732 5.201 4.470 -0.000 0.000 0.320 1197 S C 0.168 174.601 174.600 -0.279 0.000 1.067 1197 S CA -0.126 57.916 58.200 -0.263 0.000 1.127 1197 S CB 0.303 63.415 63.200 -0.147 0.000 0.971 1197 S HN 1.048 nan 8.310 nan 0.000 0.472 1198 G N 3.071 111.569 108.800 -0.505 0.000 2.644 1198 G HA2 0.840 4.800 3.960 -0.000 0.000 0.307 1198 G HA3 0.840 4.800 3.960 -0.000 0.000 0.307 1198 G C -1.283 173.662 174.900 0.073 0.000 1.250 1198 G CA -1.040 43.862 45.100 -0.330 0.000 0.996 1198 G HN 0.789 nan 8.290 nan 0.000 0.489 1199 R N -1.332 119.390 120.500 0.370 0.000 2.579 1199 R HA 0.467 4.806 4.340 -0.000 0.000 0.260 1199 R C -2.084 174.343 176.300 0.211 0.000 1.103 1199 R CA -0.810 55.462 56.100 0.288 0.000 0.942 1199 R CB 1.440 31.820 30.300 0.132 0.000 1.251 1199 R HN 0.342 nan 8.270 nan 0.000 0.450 1200 V N 2.649 122.626 119.914 0.106 0.000 2.328 1200 V HA 0.348 4.468 4.120 -0.000 0.000 0.278 1200 V C 0.297 176.389 176.094 -0.003 0.000 1.021 1200 V CA -0.729 61.603 62.300 0.053 0.000 0.838 1200 V CB 1.235 33.043 31.823 -0.026 0.000 0.999 1200 V HN 0.550 nan 8.190 nan 0.000 0.447 1201 V N 4.991 124.904 119.914 -0.002 0.000 2.837 1201 V HA 0.624 4.744 4.120 -0.000 0.000 0.310 1201 V C -0.059 175.939 176.094 -0.160 0.000 1.059 1201 V CA -0.652 61.590 62.300 -0.097 0.000 1.004 1201 V CB 1.797 33.596 31.823 -0.040 0.000 1.045 1201 V HN 0.906 nan 8.190 nan 0.000 0.465 1202 M N 2.731 122.105 119.600 -0.377 0.000 2.324 1202 M HA 0.499 4.979 4.480 -0.000 0.000 0.288 1202 M C -1.511 174.619 176.300 -0.283 0.000 1.097 1202 M CA -0.551 54.544 55.300 -0.341 0.000 0.928 1202 M CB 2.022 34.322 32.600 -0.501 0.000 1.648 1202 M HN 0.615 nan 8.290 nan 0.000 0.460 1203 K N 2.753 123.115 120.400 -0.064 0.000 2.263 1203 K HA 0.378 4.698 4.320 -0.000 0.000 0.272 1203 K C -0.761 175.787 176.600 -0.087 0.000 1.033 1203 K CA -0.339 55.874 56.287 -0.123 0.000 0.884 1203 K CB 1.765 34.170 32.500 -0.159 0.000 1.107 1203 K HN 0.615 nan 8.250 nan 0.000 0.460 1204 S N 3.383 118.997 115.700 -0.143 0.000 2.437 1204 S HA 0.372 4.842 4.470 -0.000 0.000 0.305 1204 S C -1.070 173.403 174.600 -0.212 0.000 1.109 1204 S CA -0.560 57.631 58.200 -0.015 0.000 1.099 1204 S CB 0.321 63.648 63.200 0.211 0.000 1.004 1204 S HN 0.515 nan 8.310 nan 0.000 0.475 1205 Y N 5.079 125.517 120.300 0.230 0.000 2.473 1205 Y HA 0.447 4.997 4.550 -0.001 0.000 0.345 1205 Y C -0.590 175.399 175.900 0.149 0.000 0.932 1205 Y CA -0.620 57.590 58.100 0.184 0.000 1.124 1205 Y CB 0.344 38.926 38.460 0.204 0.000 1.162 1205 Y HN 0.500 nan 8.280 nan 0.000 0.629 1206 L N 0.415 121.788 121.223 0.251 0.000 2.329 1206 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 1206 L C 0.180 177.162 176.870 0.188 0.000 1.014 1206 L CA -0.860 54.114 54.840 0.222 0.000 0.814 1206 L CB 1.836 44.051 42.059 0.260 0.000 1.257 1206 L HN 0.086 nan 8.230 nan 0.000 0.424 1207 S N 1.913 117.686 115.700 0.122 0.000 2.481 1207 S HA 0.591 5.061 4.470 -0.000 0.000 0.276 1207 S C 0.756 175.479 174.600 0.205 0.000 1.247 1207 S CA 0.240 58.501 58.200 0.101 0.000 1.053 1207 S CB 0.936 64.098 63.200 -0.063 0.000 0.925 1207 S HN 1.058 nan 8.310 nan 0.000 0.491 1208 G N 3.288 112.172 108.800 0.139 0.000 2.603 1208 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.245 1208 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.245 1208 G C -0.297 174.664 174.900 0.102 0.000 1.195 1208 G CA -0.076 45.095 45.100 0.119 0.000 0.953 1208 G HN 0.642 nan 8.290 nan 0.000 0.566 1209 M N 2.469 122.120 119.600 0.085 0.000 3.269 1209 M HA 0.281 4.761 4.480 -0.000 0.000 0.340 1209 M C -2.776 173.545 176.300 0.035 0.000 1.662 1209 M CA -1.065 54.271 55.300 0.060 0.000 0.547 1209 M CB 2.265 34.897 32.600 0.054 0.000 1.449 1209 M HN 0.402 nan 8.290 nan 0.000 0.459 1210 P HA 0.052 nan 4.420 nan 0.000 0.271 1210 P C -0.809 176.473 177.300 -0.030 0.000 1.216 1210 P CA 0.288 63.358 63.100 -0.050 0.000 0.771 1210 P CB 0.906 32.544 31.700 -0.103 0.000 0.864 1211 E N 1.971 122.186 120.200 0.025 0.000 2.289 1211 E HA 0.288 4.638 4.350 -0.000 0.000 0.278 1211 E C -0.905 175.629 176.600 -0.109 0.000 1.032 1211 E CA -0.479 55.904 56.400 -0.028 0.000 0.854 1211 E CB 0.396 30.119 29.700 0.037 0.000 1.046 1211 E HN 0.463 nan 8.360 nan 0.000 0.409 1212 C N 3.804 122.910 119.300 -0.322 0.000 2.614 1212 C HA 0.544 5.003 4.460 -0.000 0.000 0.320 1212 C C -0.463 174.353 174.990 -0.290 0.000 1.200 1212 C CA -0.878 57.912 59.018 -0.379 0.000 1.700 1212 C CB 1.216 28.559 27.740 -0.661 0.000 2.275 1212 C HN 0.749 nan 8.230 nan 0.000 0.492 1213 K N 1.600 121.983 120.400 -0.029 0.000 2.535 1213 K HA 0.501 4.820 4.320 -0.000 0.000 0.253 1213 K C -1.554 175.219 176.600 0.287 0.000 0.953 1213 K CA -0.282 56.103 56.287 0.163 0.000 0.863 1213 K CB 0.720 33.336 32.500 0.194 0.000 1.111 1213 K HN 0.601 nan 8.250 nan 0.000 0.431 1214 F N 2.683 122.720 119.950 0.146 0.000 2.404 1214 F HA 0.624 5.151 4.527 -0.000 0.000 0.345 1214 F C 0.024 175.634 175.800 -0.316 0.000 1.110 1214 F CA -0.595 57.395 58.000 -0.017 0.000 1.130 1214 F CB 1.457 40.530 39.000 0.122 0.000 1.129 1214 F HN 0.561 nan 8.300 nan 0.000 0.500 1215 G N 7.755 116.458 108.800 -0.162 0.000 2.638 1215 G HA2 0.631 4.591 3.960 -0.000 0.000 0.302 1215 G HA3 0.631 4.591 3.960 -0.000 0.000 0.302 1215 G C -1.314 173.511 174.900 -0.126 0.000 1.365 1215 G CA -0.977 43.863 45.100 -0.433 0.000 0.987 1215 G HN 0.746 nan 8.290 nan 0.000 0.495 1216 M N 0.368 119.970 119.600 0.004 0.000 2.745 1216 M HA 0.554 5.034 4.480 -0.000 0.000 0.290 1216 M C -1.020 175.300 176.300 0.033 0.000 1.262 1216 M CA -1.115 54.226 55.300 0.069 0.000 0.795 1216 M CB 1.535 34.188 32.600 0.089 0.000 1.758 1216 M HN 0.460 nan 8.290 nan 0.000 0.461 1217 N N 1.142 119.867 118.700 0.043 0.000 2.447 1217 N HA 0.144 4.883 4.740 -0.000 0.000 0.263 1217 N C -0.881 174.643 175.510 0.022 0.000 1.226 1217 N CA 0.235 53.306 53.050 0.036 0.000 0.906 1217 N CB -0.223 38.281 38.487 0.029 0.000 1.060 1217 N HN 0.608 nan 8.380 nan 0.000 0.468 1246 C N -1.966 117.243 119.300 -0.153 0.000 2.969 1246 C HA 0.822 5.281 4.460 -0.000 0.000 0.338 1246 C C -0.303 174.383 174.990 -0.506 0.000 1.217 1246 C CA -0.381 58.481 59.018 -0.259 0.000 1.146 1246 C CB 0.729 28.319 27.740 -0.251 0.000 1.366 1246 C HN 1.129 nan 8.230 nan 0.000 0.488 1247 T N -1.182 113.068 114.554 -0.508 0.000 2.938 1247 T HA 0.893 5.243 4.350 -0.000 0.000 0.285 1247 T C -0.921 173.363 174.700 -0.693 0.000 1.028 1247 T CA -0.599 61.205 62.100 -0.494 0.000 1.005 1247 T CB 1.511 70.262 68.868 -0.196 0.000 1.157 1247 T HN 0.864 nan 8.240 nan 0.000 0.550 1248 F N -0.295 119.641 119.950 -0.024 0.000 2.608 1248 F HA 0.334 4.861 4.527 -0.000 0.000 0.309 1248 F C 0.281 176.083 175.800 0.004 0.000 1.103 1248 F CA -1.477 56.508 58.000 -0.025 0.000 0.954 1248 F CB 1.815 40.789 39.000 -0.044 0.000 1.267 1248 F HN 0.735 nan 8.300 nan 0.000 0.444 1249 H N 3.524 122.704 119.070 0.183 0.000 2.928 1249 H HA -0.021 4.535 4.556 -0.000 0.000 0.338 1249 H C 1.093 176.462 175.328 0.069 0.000 1.047 1249 H CA 0.896 57.012 56.048 0.114 0.000 1.435 1249 H CB 1.408 31.262 29.762 0.154 0.000 1.428 1249 H HN 0.911 nan 8.280 nan 0.000 0.590 1250 Q N 3.574 123.331 119.800 -0.072 0.000 2.103 1250 Q HA -0.267 4.073 4.340 -0.000 0.000 0.213 1250 Q C 2.155 178.255 176.000 0.167 0.000 1.008 1250 Q CA 2.655 58.489 55.803 0.052 0.000 0.879 1250 Q CB -1.030 27.693 28.738 -0.025 0.000 0.946 1250 Q HN 0.747 nan 8.270 nan 0.000 0.413 1251 C N 0.073 119.558 119.300 0.307 0.000 2.434 1251 C HA 0.256 4.716 4.460 -0.000 0.000 0.298 1251 C C 1.077 176.158 174.990 0.152 0.000 1.495 1251 C CA -0.818 58.297 59.018 0.162 0.000 1.756 1251 C CB -1.393 26.377 27.740 0.049 0.000 1.647 1251 C HN 0.338 nan 8.230 nan 0.000 0.579 1252 V N 2.826 122.814 119.914 0.122 0.000 2.432 1252 V HA 0.231 4.351 4.120 -0.000 0.000 0.271 1252 V C 0.625 176.735 176.094 0.027 0.000 1.046 1252 V CA -0.014 62.320 62.300 0.056 0.000 0.945 1252 V CB 0.392 32.175 31.823 -0.066 0.000 0.992 1252 V HN 0.521 nan 8.190 nan 0.000 0.471 1253 R N 4.613 125.124 120.500 0.019 0.000 2.442 1253 R HA 0.304 4.644 4.340 -0.000 0.000 0.291 1253 R C -0.877 175.381 176.300 -0.069 0.000 1.069 1253 R CA -0.753 55.317 56.100 -0.051 0.000 1.022 1253 R CB 0.277 30.529 30.300 -0.080 0.000 0.976 1253 R HN 0.430 nan 8.270 nan 0.000 0.443 1254 L N 3.078 124.261 121.223 -0.066 0.000 2.597 1254 L HA 0.046 4.386 4.340 -0.000 0.000 0.271 1254 L C 0.376 177.211 176.870 -0.058 0.000 1.157 1254 L CA 0.944 55.759 54.840 -0.041 0.000 0.928 1254 L CB -0.303 41.743 42.059 -0.021 0.000 1.216 1254 L HN 0.886 nan 8.230 nan 0.000 0.481 1262 S N -0.071 115.633 115.700 0.007 0.000 2.535 1262 S HA 0.768 5.238 4.470 -0.000 0.000 0.272 1262 S C -1.347 173.240 174.600 -0.021 0.000 1.149 1262 S CA -0.669 57.528 58.200 -0.004 0.000 0.888 1262 S CB 1.338 64.589 63.200 0.085 0.000 1.110 1262 S HN 1.059 nan 8.310 nan 0.000 0.463 1263 I N 2.305 122.842 120.570 -0.056 0.000 2.498 1263 I HA 0.724 4.894 4.170 -0.000 0.000 0.301 1263 I C 0.575 176.769 176.117 0.127 0.000 0.984 1263 I CA -0.136 61.115 61.300 -0.082 0.000 1.204 1263 I CB 1.886 39.677 38.000 -0.348 0.000 1.362 1263 I HN 0.847 nan 8.210 nan 0.000 0.471 1264 S N 4.625 120.406 115.700 0.135 0.000 2.664 1264 S HA 0.960 5.430 4.470 -0.000 0.000 0.304 1264 S C -0.965 173.864 174.600 0.381 0.000 1.099 1264 S CA -0.322 58.004 58.200 0.208 0.000 1.003 1264 S CB 0.900 64.153 63.200 0.087 0.000 1.092 1264 S HN 0.514 nan 8.310 nan 0.000 0.525 1265 F N 0.124 120.095 119.950 0.036 0.000 2.890 1265 F HA 0.496 5.023 4.527 -0.001 0.000 0.326 1265 F C -2.284 173.549 175.800 0.055 0.000 1.143 1265 F CA -1.299 56.723 58.000 0.035 0.000 0.906 1265 F CB 0.426 39.451 39.000 0.041 0.000 1.303 1265 F HN 0.323 nan 8.300 nan 0.000 0.447 1266 I N 3.539 124.195 120.570 0.143 0.000 2.371 1266 I HA 0.302 4.472 4.170 -0.000 0.000 0.282 1266 I C -2.343 173.852 176.117 0.131 0.000 1.031 1266 I CA -2.304 59.019 61.300 0.037 0.000 1.180 1266 I CB 1.062 39.093 38.000 0.053 0.000 1.336 1266 I HN 0.357 nan 8.210 nan 0.000 0.467 1267 P HA 0.157 nan 4.420 nan 0.000 0.262 1267 P C -2.607 174.645 177.300 -0.080 0.000 1.199 1267 P CA -0.833 62.389 63.100 0.204 0.000 0.763 1267 P CB -0.131 31.819 31.700 0.418 0.000 0.790 1268 P HA 0.155 nan 4.420 nan 0.000 0.272 1268 P C -0.018 177.199 177.300 -0.138 0.000 1.230 1268 P CA 0.086 62.990 63.100 -0.328 0.000 0.788 1268 P CB 0.447 31.809 31.700 -0.563 0.000 0.949 1269 D N 0.124 120.505 120.400 -0.030 0.000 2.341 1269 D HA 0.433 5.073 4.640 -0.000 0.000 0.245 1269 D C 1.073 177.402 176.300 0.048 0.000 1.106 1269 D CA 1.055 55.079 54.000 0.039 0.000 0.905 1269 D CB 0.951 41.787 40.800 0.059 0.000 1.202 1269 D HN 0.599 nan 8.370 nan 0.000 0.426 1270 G N 1.682 110.493 108.800 0.018 0.000 2.466 1270 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.218 1270 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.218 1270 G C -0.505 174.423 174.900 0.047 0.000 1.237 1270 G CA -0.198 44.900 45.100 -0.004 0.000 0.954 1270 G HN 0.596 nan 8.290 nan 0.000 0.580 1271 E N -0.014 120.245 120.200 0.099 0.000 2.195 1271 E HA 0.704 5.053 4.350 -0.000 0.000 0.271 1271 E C -0.660 176.099 176.600 0.266 0.000 0.923 1271 E CA -0.926 55.533 56.400 0.098 0.000 0.790 1271 E CB 1.212 30.917 29.700 0.007 0.000 1.155 1271 E HN 1.163 nan 8.360 nan 0.000 0.402 1272 F N 0.157 120.107 119.950 0.000 0.000 2.713 1272 F HA 0.365 4.891 4.527 -0.000 0.000 0.311 1272 F C -1.122 174.714 175.800 0.060 0.000 1.141 1272 F CA -1.234 56.787 58.000 0.035 0.000 0.939 1272 F CB 1.024 39.995 39.000 -0.048 0.000 1.325 1272 F HN 0.354 nan 8.300 nan 0.000 0.453 1273 E N 2.129 122.472 120.200 0.239 0.000 1.963 1273 E HA 0.242 4.592 4.350 -0.000 0.000 0.274 1273 E C 0.651 177.371 176.600 0.200 0.000 1.061 1273 E CA -0.477 55.991 56.400 0.113 0.000 0.847 1273 E CB 0.822 30.606 29.700 0.141 0.000 1.083 1273 E HN 0.797 nan 8.360 nan 0.000 0.402 1274 L N 5.419 126.603 121.223 -0.065 0.000 1.997 1274 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 1274 L C 0.606 177.538 176.870 0.104 0.000 1.074 1274 L CA 2.034 56.875 54.840 0.001 0.000 0.763 1274 L CB -0.201 41.718 42.059 -0.233 0.000 0.890 1274 L HN 0.764 nan 8.230 nan 0.000 0.434 1275 M N -2.762 116.879 119.600 0.068 0.000 2.773 1275 M HA 0.442 4.922 4.480 -0.000 0.000 0.270 1275 M C -0.643 175.716 176.300 0.097 0.000 1.238 1275 M CA -0.889 54.506 55.300 0.158 0.000 0.832 1275 M CB 1.978 34.744 32.600 0.277 0.000 1.672 1275 M HN -0.021 nan 8.290 nan 0.000 0.480 1276 R N 1.016 121.564 120.500 0.081 0.000 2.867 1276 R HA 0.891 5.231 4.340 -0.000 0.000 0.268 1276 R C -2.029 174.430 176.300 0.265 0.000 1.014 1276 R CA -0.324 55.881 56.100 0.175 0.000 0.946 1276 R CB 2.231 32.565 30.300 0.056 0.000 1.208 1276 R HN 1.041 nan 8.270 nan 0.000 0.477 1277 Y N -1.724 118.528 120.300 -0.080 0.000 2.852 1277 Y HA 0.552 5.102 4.550 -0.000 0.000 0.350 1277 Y C -1.798 174.077 175.900 -0.043 0.000 1.272 1277 Y CA -1.530 56.520 58.100 -0.083 0.000 1.086 1277 Y CB 1.327 39.747 38.460 -0.066 0.000 1.408 1277 Y HN 0.560 nan 8.280 nan 0.000 0.447 1278 R N 0.991 121.375 120.500 -0.193 0.000 2.522 1278 R HA 0.525 4.865 4.340 -0.000 0.000 0.273 1278 R C -1.710 174.532 176.300 -0.096 0.000 1.133 1278 R CA -0.715 55.251 56.100 -0.224 0.000 0.969 1278 R CB 2.367 32.616 30.300 -0.085 0.000 1.235 1278 R HN 0.865 nan 8.270 nan 0.000 0.433 1279 T N -0.396 114.097 114.554 -0.102 0.000 2.930 1279 T HA 0.502 4.851 4.350 -0.000 0.000 0.290 1279 T C 0.624 175.332 174.700 0.015 0.000 1.052 1279 T CA -0.079 62.014 62.100 -0.013 0.000 1.017 1279 T CB 1.648 70.525 68.868 0.016 0.000 1.137 1279 T HN 0.755 nan 8.240 nan 0.000 0.511 1280 T N -1.092 113.479 114.554 0.029 0.000 3.073 1280 T HA 0.404 4.753 4.350 -0.000 0.000 0.264 1280 T C 0.269 174.986 174.700 0.030 0.000 0.893 1280 T CA -0.290 61.836 62.100 0.043 0.000 0.863 1280 T CB 0.104 68.996 68.868 0.041 0.000 1.247 1280 T HN 0.367 nan 8.240 nan 0.000 0.546 1281 K N 1.756 122.170 120.400 0.023 0.000 2.118 1281 K HA 0.377 4.697 4.320 -0.000 0.000 0.267 1281 K C -0.532 176.077 176.600 0.016 0.000 0.991 1281 K CA -0.337 55.960 56.287 0.018 0.000 0.916 1281 K CB 0.847 33.356 32.500 0.016 0.000 1.041 1281 K HN -0.013 nan 8.250 nan 0.000 0.455 1282 D N 0.816 121.223 120.400 0.011 0.000 2.911 1282 D HA -0.207 4.433 4.640 -0.000 0.000 0.227 1282 D C -0.293 176.008 176.300 0.003 0.000 1.164 1282 D CA 0.840 54.843 54.000 0.005 0.000 0.782 1282 D CB -1.245 39.556 40.800 0.002 0.000 1.094 1282 D HN 0.439 nan 8.370 nan 0.000 0.425 1283 I N 1.012 121.590 120.570 0.013 0.000 2.692 1283 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 1283 I C 1.445 177.573 176.117 0.018 0.000 1.159 1283 I CA -0.201 61.110 61.300 0.019 0.000 1.423 1283 I CB 0.385 38.408 38.000 0.038 0.000 1.380 1283 I HN 0.048 nan 8.210 nan 0.000 0.580 1284 I N 5.165 125.736 120.570 0.001 0.000 2.325 1284 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 1284 I C -0.650 175.518 176.117 0.085 0.000 1.019 1284 I CA -0.461 60.831 61.300 -0.014 0.000 1.302 1284 I CB 0.663 38.564 38.000 -0.165 0.000 1.401 1284 I HN 0.389 nan 8.210 nan 0.000 0.485 1285 L N 8.260 129.553 121.223 0.118 0.000 2.268 1285 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 1285 L C -1.461 175.535 176.870 0.209 0.000 1.064 1285 L CA -1.451 53.524 54.840 0.225 0.000 0.824 1285 L CB 0.944 43.127 42.059 0.206 0.000 1.202 1285 L HN 0.445 nan 8.230 nan 0.000 0.433 1286 P HA -0.197 nan 4.420 nan 0.000 0.212 1286 P C -0.077 177.240 177.300 0.029 0.000 1.174 1286 P CA 1.534 64.618 63.100 -0.027 0.000 0.934 1286 P CB 0.183 31.348 31.700 -0.892 0.000 0.791 1287 F N -2.504 117.518 119.950 0.121 0.000 2.497 1287 F HA 0.590 5.116 4.527 -0.001 0.000 0.331 1287 F C 0.987 176.931 175.800 0.240 0.000 1.060 1287 F CA -1.377 56.703 58.000 0.134 0.000 0.989 1287 F CB 1.428 40.522 39.000 0.157 0.000 1.245 1287 F HN -0.373 nan 8.300 nan 0.000 0.486 1288 R N 0.827 121.545 120.500 0.363 0.000 2.575 1288 R HA 0.627 4.967 4.340 -0.000 0.000 0.293 1288 R C -2.266 174.157 176.300 0.205 0.000 0.983 1288 R CA -0.509 55.731 56.100 0.233 0.000 0.887 1288 R CB 1.742 32.124 30.300 0.137 0.000 1.184 1288 R HN 0.471 nan 8.270 nan 0.000 0.445 1289 V N 6.368 126.392 119.914 0.183 0.000 2.384 1289 V HA 0.444 4.563 4.120 -0.000 0.000 0.287 1289 V C -0.491 175.665 176.094 0.103 0.000 1.020 1289 V CA -0.696 61.698 62.300 0.158 0.000 0.850 1289 V CB 1.476 33.411 31.823 0.186 0.000 0.987 1289 V HN 0.653 nan 8.190 nan 0.000 0.436 1290 I N 8.651 129.275 120.570 0.090 0.000 2.313 1290 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 1290 I C -2.153 174.000 176.117 0.059 0.000 1.091 1290 I CA -1.994 59.343 61.300 0.062 0.000 1.216 1290 I CB 1.221 39.250 38.000 0.050 0.000 1.434 1290 I HN 0.427 nan 8.210 nan 0.000 0.487 1291 P HA 0.329 nan 4.420 nan 0.000 0.292 1291 P C -0.994 176.326 177.300 0.034 0.000 1.287 1291 P CA -0.588 62.542 63.100 0.051 0.000 0.800 1291 P CB 2.225 33.958 31.700 0.054 0.000 0.945 1292 L N 5.705 126.946 121.223 0.029 0.000 2.471 1292 L HA 0.327 4.667 4.340 -0.000 0.000 0.263 1292 L C -0.935 175.948 176.870 0.023 0.000 0.985 1292 L CA -0.857 53.995 54.840 0.021 0.000 0.868 1292 L CB 1.438 43.505 42.059 0.014 0.000 1.203 1292 L HN 0.182 nan 8.230 nan 0.000 0.429 1293 V N 2.765 122.698 119.914 0.032 0.000 2.448 1293 V HA 0.753 4.873 4.120 -0.000 0.000 0.295 1293 V C -0.273 175.844 176.094 0.038 0.000 1.025 1293 V CA -0.712 61.614 62.300 0.045 0.000 0.859 1293 V CB 1.481 33.355 31.823 0.085 0.000 0.988 1293 V HN 0.872 nan 8.190 nan 0.000 0.431 1294 R N 2.502 123.019 120.500 0.029 0.000 2.803 1294 R HA 0.633 4.973 4.340 -0.000 0.000 0.276 1294 R C -1.060 175.255 176.300 0.025 0.000 0.978 1294 R CA -0.601 55.513 56.100 0.023 0.000 0.939 1294 R CB 2.140 32.446 30.300 0.010 0.000 1.179 1294 R HN 0.779 nan 8.270 nan 0.000 0.472 1295 E N 2.535 122.749 120.200 0.025 0.000 2.151 1295 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 1295 E C -1.224 175.382 176.600 0.010 0.000 0.936 1295 E CA -0.572 55.841 56.400 0.023 0.000 0.777 1295 E CB 2.085 31.806 29.700 0.035 0.000 1.108 1295 E HN 0.360 nan 8.360 nan 0.000 0.401 1296 V N 3.306 123.221 119.914 0.002 0.000 2.276 1296 V HA 0.512 4.632 4.120 -0.000 0.000 0.268 1296 V C 0.823 176.914 176.094 -0.005 0.000 1.032 1296 V CA 0.104 62.402 62.300 -0.003 0.000 0.810 1296 V CB 0.307 32.125 31.823 -0.009 0.000 1.060 1296 V HN 0.897 nan 8.190 nan 0.000 0.446 1297 G N 4.736 113.536 108.800 -0.000 0.000 2.509 1297 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.259 1297 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.259 1297 G C 0.635 175.535 174.900 -0.000 0.000 1.169 1297 G CA 0.419 45.518 45.100 -0.001 0.000 0.953 1297 G HN 0.455 nan 8.290 nan 0.000 0.563 1298 R N -0.295 120.202 120.500 -0.005 0.000 2.194 1298 R HA 0.176 4.516 4.340 -0.000 0.000 0.194 1298 R C 2.983 179.271 176.300 -0.020 0.000 0.985 1298 R CA 2.055 58.150 56.100 -0.007 0.000 1.104 1298 R CB -1.317 28.981 30.300 -0.005 0.000 1.092 1298 R HN 0.827 nan 8.270 nan 0.000 0.555 1299 T N -0.339 114.201 114.554 -0.023 0.000 2.867 1299 T HA 0.053 4.403 4.350 -0.000 0.000 0.268 1299 T C 0.843 175.517 174.700 -0.043 0.000 1.057 1299 T CA 0.810 62.890 62.100 -0.033 0.000 1.136 1299 T CB 0.144 68.996 68.868 -0.028 0.000 0.874 1299 T HN -0.023 nan 8.240 nan 0.000 0.466 1300 K N 1.226 121.606 120.400 -0.034 0.000 2.156 1300 K HA 0.600 4.919 4.320 -0.000 0.000 0.271 1300 K C -1.364 175.215 176.600 -0.034 0.000 0.995 1300 K CA -0.887 55.377 56.287 -0.038 0.000 0.890 1300 K CB 1.727 34.209 32.500 -0.029 0.000 1.073 1300 K HN 0.164 nan 8.250 nan 0.000 0.454 1301 L N 2.407 123.602 121.223 -0.046 0.000 2.611 1301 L HA 0.249 4.589 4.340 -0.000 0.000 0.263 1301 L C -1.265 175.580 176.870 -0.043 0.000 0.969 1301 L CA -0.420 54.398 54.840 -0.035 0.000 0.894 1301 L CB 1.429 43.454 42.059 -0.057 0.000 1.229 1301 L HN 0.456 nan 8.230 nan 0.000 0.416 1302 E N 3.853 124.039 120.200 -0.024 0.000 2.313 1302 E HA 0.696 5.046 4.350 -0.000 0.000 0.272 1302 E C -0.811 175.778 176.600 -0.019 0.000 1.038 1302 E CA -0.548 55.834 56.400 -0.029 0.000 0.863 1302 E CB 2.393 32.080 29.700 -0.022 0.000 1.060 1302 E HN 0.386 nan 8.360 nan 0.000 0.402 1303 V N 1.866 121.759 119.914 -0.035 0.000 2.711 1303 V HA 0.351 4.470 4.120 -0.000 0.000 0.304 1303 V C -0.410 175.658 176.094 -0.044 0.000 1.097 1303 V CA -0.877 61.407 62.300 -0.025 0.000 0.906 1303 V CB 2.139 33.946 31.823 -0.027 0.000 1.015 1303 V HN 0.567 nan 8.190 nan 0.000 0.427 1304 K N 3.826 124.209 120.400 -0.028 0.000 2.640 1304 K HA 0.718 5.038 4.320 -0.000 0.000 0.245 1304 K C -1.855 174.735 176.600 -0.018 0.000 0.962 1304 K CA -0.329 55.934 56.287 -0.040 0.000 0.896 1304 K CB 1.988 34.470 32.500 -0.029 0.000 1.147 1304 K HN 0.513 nan 8.250 nan 0.000 0.445 1305 V N 4.054 123.951 119.914 -0.029 0.000 2.513 1305 V HA 0.500 4.620 4.120 -0.000 0.000 0.299 1305 V C -0.451 175.672 176.094 0.047 0.000 1.035 1305 V CA -0.861 61.454 62.300 0.025 0.000 0.889 1305 V CB 1.743 33.601 31.823 0.058 0.000 0.988 1305 V HN 0.454 nan 8.190 nan 0.000 0.440 1306 V N 5.487 125.451 119.914 0.083 0.000 2.588 1306 V HA 0.597 4.716 4.120 -0.000 0.000 0.304 1306 V C -0.328 175.838 176.094 0.120 0.000 1.042 1306 V CA -0.608 61.754 62.300 0.103 0.000 0.877 1306 V CB 1.818 33.677 31.823 0.059 0.000 0.996 1306 V HN 0.812 nan 8.190 nan 0.000 0.425 1307 I N 0.883 121.529 120.570 0.126 0.000 2.441 1307 I HA 0.696 4.865 4.170 -0.000 0.000 0.295 1307 I C -0.537 175.561 176.117 -0.032 0.000 0.994 1307 I CA -0.764 60.567 61.300 0.052 0.000 1.144 1307 I CB 1.787 39.770 38.000 -0.028 0.000 1.314 1307 I HN 0.477 nan 8.210 nan 0.000 0.445 1308 K N 4.425 124.817 120.400 -0.013 0.000 2.307 1308 K HA 0.363 4.682 4.320 -0.000 0.000 0.263 1308 K C -0.292 176.273 176.600 -0.059 0.000 0.973 1308 K CA -0.571 55.690 56.287 -0.043 0.000 0.846 1308 K CB 2.023 34.523 32.500 -0.000 0.000 1.100 1308 K HN 0.849 nan 8.250 nan 0.000 0.438 1309 S N 1.953 117.543 115.700 -0.182 0.000 2.549 1309 S HA 0.109 4.578 4.470 -0.000 0.000 0.279 1309 S C -0.018 174.310 174.600 -0.453 0.000 1.321 1309 S CA -0.617 57.416 58.200 -0.278 0.000 1.054 1309 S CB 0.568 63.533 63.200 -0.390 0.000 0.899 1309 S HN 0.636 nan 8.310 nan 0.000 0.497 1310 N N 2.489 120.826 118.700 -0.605 0.000 2.746 1310 N HA 0.562 5.301 4.740 -0.000 0.000 0.250 1310 N C -1.393 173.927 175.510 -0.318 0.000 1.146 1310 N CA -0.756 52.069 53.050 -0.375 0.000 0.828 1310 N CB -0.088 38.360 38.487 -0.066 0.000 1.158 1310 N HN 0.662 nan 8.380 nan 0.000 0.519 1311 F N -0.960 119.055 119.950 0.108 0.000 2.952 1311 F HA 0.349 4.876 4.527 -0.001 0.000 0.329 1311 F C -0.387 175.464 175.800 0.084 0.000 1.137 1311 F CA -1.415 56.640 58.000 0.090 0.000 0.889 1311 F CB 0.410 39.571 39.000 0.268 0.000 1.335 1311 F HN -0.028 nan 8.300 nan 0.000 0.449 1312 K N 1.974 122.587 120.400 0.356 0.000 2.511 1312 K HA 0.041 4.361 4.320 -0.000 0.000 0.277 1312 K C -1.868 174.910 176.600 0.296 0.000 1.025 1312 K CA -0.460 55.968 56.287 0.236 0.000 1.112 1312 K CB 0.499 33.100 32.500 0.169 0.000 0.859 1312 K HN 0.378 nan 8.250 nan 0.000 0.485 1313 P HA -0.212 nan 4.420 nan 0.000 0.220 1313 P C 0.841 178.237 177.300 0.161 0.000 1.144 1313 P CA 1.375 64.574 63.100 0.166 0.000 0.800 1313 P CB 0.176 31.933 31.700 0.093 0.000 0.772 1314 S N -1.440 114.343 115.700 0.137 0.000 2.428 1314 S HA -0.042 4.428 4.470 -0.000 0.000 0.230 1314 S C 0.818 175.473 174.600 0.092 0.000 1.014 1314 S CA 0.512 58.772 58.200 0.099 0.000 0.957 1314 S CB -1.119 62.129 63.200 0.079 0.000 0.784 1314 S HN 0.056 nan 8.310 nan 0.000 0.499 1315 L N 1.678 122.971 121.223 0.116 0.000 2.312 1315 L HA 0.524 4.863 4.340 -0.000 0.000 0.281 1315 L C -1.018 175.840 176.870 -0.020 0.000 1.070 1315 L CA -0.876 53.970 54.840 0.010 0.000 0.805 1315 L CB 1.069 43.096 42.059 -0.052 0.000 1.174 1315 L HN 0.104 nan 8.230 nan 0.000 0.434 1316 L N 3.098 124.275 121.223 -0.077 0.000 2.313 1316 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 1316 L C 0.242 177.020 176.870 -0.152 0.000 1.013 1316 L CA -0.132 54.686 54.840 -0.036 0.000 0.816 1316 L CB 1.636 43.699 42.059 0.007 0.000 1.236 1316 L HN 0.647 nan 8.230 nan 0.000 0.419 1317 A N 3.687 126.439 122.820 -0.112 0.000 2.301 1317 A HA 0.726 5.046 4.320 -0.000 0.000 0.298 1317 A C -0.188 177.394 177.584 -0.003 0.000 1.185 1317 A CA -0.378 51.568 52.037 -0.152 0.000 0.830 1317 A CB 0.434 19.399 19.000 -0.059 0.000 1.112 1317 A HN 0.768 nan 8.150 nan 0.000 0.508 1318 Q N 0.973 120.753 119.800 -0.033 0.000 2.699 1318 Q HA 0.512 4.852 4.340 -0.000 0.000 0.240 1318 Q C -0.840 175.179 176.000 0.031 0.000 1.033 1318 Q CA -1.262 54.542 55.803 0.001 0.000 0.938 1318 Q CB 0.743 29.470 28.738 -0.019 0.000 1.312 1318 Q HN 0.706 nan 8.270 nan 0.000 0.507 1319 K N 0.307 120.717 120.400 0.017 0.000 4.418 1319 K HA -0.214 4.106 4.320 -0.000 0.000 0.285 1319 K C -0.988 175.651 176.600 0.064 0.000 0.874 1319 K CA 0.461 56.762 56.287 0.023 0.000 0.844 1319 K CB -2.053 30.457 32.500 0.016 0.000 1.691 1319 K HN 0.413 nan 8.250 nan 0.000 0.433 1320 I N 1.047 121.643 120.570 0.043 0.000 2.437 1320 I HA 0.281 4.451 4.170 -0.000 0.000 0.298 1320 I C 0.067 176.182 176.117 -0.004 0.000 0.984 1320 I CA -0.764 60.583 61.300 0.079 0.000 1.214 1320 I CB 1.751 39.753 38.000 0.004 0.000 1.365 1320 I HN 0.312 nan 8.210 nan 0.000 0.469 1321 E N 4.158 124.383 120.200 0.042 0.000 2.278 1321 E HA 0.487 4.837 4.350 -0.000 0.000 0.272 1321 E C -1.632 175.024 176.600 0.092 0.000 0.890 1321 E CA -0.376 56.046 56.400 0.037 0.000 0.770 1321 E CB 2.156 31.879 29.700 0.037 0.000 1.212 1321 E HN 0.218 nan 8.360 nan 0.000 0.415 1322 V N 4.090 124.090 119.914 0.145 0.000 2.495 1322 V HA 0.572 4.692 4.120 -0.000 0.000 0.298 1322 V C -0.306 175.934 176.094 0.244 0.000 1.031 1322 V CA -0.836 61.609 62.300 0.242 0.000 0.871 1322 V CB 1.770 33.839 31.823 0.409 0.000 0.988 1322 V HN 0.553 nan 8.190 nan 0.000 0.432 1323 R N 4.169 124.789 120.500 0.200 0.000 2.320 1323 R HA 0.616 4.955 4.340 -0.000 0.000 0.319 1323 R C -1.574 174.828 176.300 0.171 0.000 0.969 1323 R CA -0.576 55.629 56.100 0.173 0.000 0.857 1323 R CB 1.010 31.392 30.300 0.135 0.000 1.160 1323 R HN 0.650 nan 8.270 nan 0.000 0.491 1324 I N 7.392 128.065 120.570 0.171 0.000 2.307 1324 I HA 0.314 4.483 4.170 -0.000 0.000 0.289 1324 I C -1.986 174.232 176.117 0.169 0.000 1.021 1324 I CA -2.498 58.895 61.300 0.155 0.000 1.224 1324 I CB 1.863 39.932 38.000 0.115 0.000 1.376 1324 I HN 0.525 nan 8.210 nan 0.000 0.470 1325 P HA 0.110 nan 4.420 nan 0.000 0.276 1325 P C -0.535 176.939 177.300 0.290 0.000 1.264 1325 P CA -0.263 63.009 63.100 0.286 0.000 0.769 1325 P CB 0.314 32.222 31.700 0.346 0.000 0.840 1326 T N 1.885 116.486 114.554 0.078 0.000 2.909 1326 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 1326 T C -2.503 171.839 174.700 -0.597 0.000 1.002 1326 T CA -2.569 59.367 62.100 -0.274 0.000 1.074 1326 T CB 0.427 69.125 68.868 -0.283 0.000 0.984 1326 T HN 0.110 nan 8.240 nan 0.000 0.495 1327 P HA 0.118 nan 4.420 nan 0.000 0.271 1327 P C 1.002 177.957 177.300 -0.575 0.000 1.238 1327 P CA -0.392 61.775 63.100 -1.554 0.000 0.794 1327 P CB 0.389 31.329 31.700 -1.266 0.000 0.959 1328 L N 0.353 121.362 121.223 -0.356 0.000 2.179 1328 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 1328 L C 1.651 178.460 176.870 -0.102 0.000 1.096 1328 L CA 1.078 55.847 54.840 -0.117 0.000 0.779 1328 L CB -1.088 40.961 42.059 -0.017 0.000 0.922 1328 L HN 0.435 nan 8.230 nan 0.000 0.443 1329 N N 0.161 118.777 118.700 -0.139 0.000 2.471 1329 N HA -0.065 4.675 4.740 -0.000 0.000 0.205 1329 N C 0.069 175.514 175.510 -0.109 0.000 1.251 1329 N CA 0.116 53.109 53.050 -0.096 0.000 0.843 1329 N CB -0.653 37.785 38.487 -0.082 0.000 1.044 1329 N HN 0.061 nan 8.380 nan 0.000 0.461 1330 T N 0.471 114.949 114.554 -0.127 0.000 2.853 1330 T HA 0.011 4.361 4.350 -0.000 0.000 0.298 1330 T C 1.018 175.696 174.700 -0.036 0.000 0.978 1330 T CA 0.054 62.084 62.100 -0.116 0.000 1.152 1330 T CB 1.166 69.969 68.868 -0.110 0.000 0.914 1330 T HN 0.278 nan 8.240 nan 0.000 0.539 1331 S N 2.224 117.896 115.700 -0.047 0.000 2.506 1331 S HA 0.431 4.900 4.470 -0.000 0.000 0.230 1331 S C 0.814 175.416 174.600 0.004 0.000 1.066 1331 S CA 0.318 58.509 58.200 -0.016 0.000 0.940 1331 S CB 0.170 63.354 63.200 -0.027 0.000 0.818 1331 S HN 0.922 nan 8.310 nan 0.000 0.518 1332 G N 0.566 109.349 108.800 -0.028 0.000 2.746 1332 G HA2 0.568 4.528 3.960 -0.000 0.000 0.297 1332 G HA3 0.568 4.528 3.960 -0.000 0.000 0.297 1332 G C -1.847 173.001 174.900 -0.086 0.000 1.426 1332 G CA -0.373 44.717 45.100 -0.017 0.000 0.989 1332 G HN 0.261 nan 8.290 nan 0.000 0.520 1333 V N 1.680 121.543 119.914 -0.086 0.000 2.638 1333 V HA 0.586 4.706 4.120 -0.000 0.000 0.306 1333 V C -1.099 174.940 176.094 -0.091 0.000 1.052 1333 V CA -1.051 61.136 62.300 -0.188 0.000 0.885 1333 V CB 1.837 33.356 31.823 -0.507 0.000 0.999 1333 V HN 0.681 nan 8.190 nan 0.000 0.424 1334 Q N 3.379 123.121 119.800 -0.098 0.000 2.333 1334 Q HA 0.647 4.987 4.340 -0.000 0.000 0.268 1334 Q C -0.494 175.456 176.000 -0.083 0.000 1.007 1334 Q CA -0.456 55.308 55.803 -0.065 0.000 0.810 1334 Q CB 2.453 31.158 28.738 -0.054 0.000 1.264 1334 Q HN 0.844 nan 8.270 nan 0.000 0.452 1335 V N 0.073 119.944 119.914 -0.071 0.000 2.769 1335 V HA 0.790 4.910 4.120 -0.000 0.000 0.312 1335 V C -0.327 175.707 176.094 -0.099 0.000 1.058 1335 V CA -0.810 61.428 62.300 -0.102 0.000 0.952 1335 V CB 2.041 33.800 31.823 -0.107 0.000 1.019 1335 V HN 0.663 nan 8.190 nan 0.000 0.445 1336 I N 3.375 123.861 120.570 -0.139 0.000 2.607 1336 I HA 0.693 4.863 4.170 -0.000 0.000 0.290 1336 I C -0.856 175.152 176.117 -0.183 0.000 1.129 1336 I CA -0.392 60.836 61.300 -0.120 0.000 1.042 1336 I CB 2.088 40.034 38.000 -0.091 0.000 1.242 1336 I HN 1.157 nan 8.210 nan 0.000 0.421 1337 C N 5.575 124.795 119.300 -0.132 0.000 2.931 1337 C HA 0.468 4.928 4.460 -0.000 0.000 0.370 1337 C C 0.665 175.665 174.990 0.017 0.000 1.071 1337 C CA -0.722 58.220 59.018 -0.127 0.000 1.266 1337 C CB 1.718 29.298 27.740 -0.266 0.000 1.691 1337 C HN 0.824 nan 8.230 nan 0.000 0.511 1338 M N 2.012 121.647 119.600 0.058 0.000 2.388 1338 M HA 0.117 4.597 4.480 -0.000 0.000 0.265 1338 M C 0.902 177.274 176.300 0.119 0.000 1.088 1338 M CA 1.173 56.517 55.300 0.074 0.000 1.134 1338 M CB -0.894 31.741 32.600 0.058 0.000 1.384 1338 M HN 0.831 nan 8.290 nan 0.000 0.447 1339 K N 0.489 121.013 120.400 0.207 0.000 2.203 1339 K HA 0.648 4.968 4.320 -0.000 0.000 0.251 1339 K C 0.563 177.347 176.600 0.306 0.000 0.944 1339 K CA -0.241 56.171 56.287 0.208 0.000 0.829 1339 K CB 1.934 34.536 32.500 0.171 0.000 1.125 1339 K HN 0.165 nan 8.250 nan 0.000 0.430 1340 G N 1.601 110.502 108.800 0.167 0.000 2.601 1340 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.261 1340 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.261 1340 G C -0.960 174.092 174.900 0.253 0.000 1.289 1340 G CA 0.146 45.339 45.100 0.154 0.000 0.920 1340 G HN 0.817 nan 8.290 nan 0.000 0.571 1341 K N -0.627 119.945 120.400 0.286 0.000 2.502 1341 K HA 0.707 5.026 4.320 -0.000 0.000 0.257 1341 K C -0.890 175.932 176.600 0.369 0.000 0.938 1341 K CA -0.302 56.140 56.287 0.257 0.000 0.819 1341 K CB 1.809 34.395 32.500 0.144 0.000 1.333 1341 K HN 1.810 nan 8.250 nan 0.000 0.434 1342 A N 3.623 126.580 122.820 0.228 0.000 2.402 1342 A HA 0.504 4.824 4.320 -0.000 0.000 0.291 1342 A C -1.411 176.237 177.584 0.106 0.000 1.051 1342 A CA -0.828 51.322 52.037 0.189 0.000 0.716 1342 A CB 1.115 20.116 19.000 0.001 0.000 1.223 1342 A HN 0.680 nan 8.150 nan 0.000 0.425 1343 K N 0.564 121.038 120.400 0.124 0.000 2.238 1343 K HA 0.450 4.770 4.320 -0.000 0.000 0.239 1343 K C -1.562 175.133 176.600 0.158 0.000 0.987 1343 K CA -0.701 55.651 56.287 0.107 0.000 0.857 1343 K CB 1.997 34.542 32.500 0.075 0.000 1.154 1343 K HN 0.640 nan 8.250 nan 0.000 0.439 1344 Y N 2.185 122.491 120.300 0.010 0.000 2.721 1344 Y HA 0.218 4.767 4.550 -0.000 0.000 0.328 1344 Y C -0.990 174.913 175.900 0.006 0.000 1.003 1344 Y CA -1.221 56.881 58.100 0.003 0.000 1.275 1344 Y CB 0.143 38.593 38.460 -0.016 0.000 1.097 1344 Y HN 0.331 nan 8.280 nan 0.000 0.514 1345 K N 4.902 125.178 120.400 -0.206 0.000 2.228 1345 K HA 0.381 4.701 4.320 -0.000 0.000 0.284 1345 K C 1.002 177.264 176.600 -0.563 0.000 1.088 1345 K CA 0.409 56.513 56.287 -0.304 0.000 0.941 1345 K CB 0.794 33.230 32.500 -0.105 0.000 1.158 1345 K HN 0.736 nan 8.250 nan 0.000 0.438 1346 A N 2.432 124.713 122.820 -0.899 0.000 2.015 1346 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 1346 A C 1.884 179.310 177.584 -0.263 0.000 1.163 1346 A CA 1.173 52.746 52.037 -0.773 0.000 0.646 1346 A CB -0.177 18.459 19.000 -0.606 0.000 0.806 1346 A HN 0.623 nan 8.150 nan 0.000 0.448 1347 S N -0.793 114.784 115.700 -0.206 0.000 2.493 1347 S HA -0.151 4.318 4.470 -0.000 0.000 0.243 1347 S C 1.499 176.065 174.600 -0.056 0.000 0.991 1347 S CA 1.531 59.671 58.200 -0.100 0.000 0.957 1347 S CB -0.090 63.061 63.200 -0.082 0.000 0.756 1347 S HN 0.806 nan 8.310 nan 0.000 0.521 1348 E N 0.560 120.726 120.200 -0.058 0.000 2.601 1348 E HA 0.111 4.461 4.350 -0.000 0.000 0.219 1348 E C -0.686 175.948 176.600 0.057 0.000 0.964 1348 E CA -0.151 56.252 56.400 0.006 0.000 1.050 1348 E CB 0.156 29.864 29.700 0.014 0.000 1.068 1348 E HN 0.211 nan 8.360 nan 0.000 0.496 1349 N N 0.561 119.298 118.700 0.061 0.000 2.696 1349 N HA -0.209 4.531 4.740 -0.000 0.000 0.256 1349 N C -1.091 174.569 175.510 0.250 0.000 1.031 1349 N CA 1.065 54.224 53.050 0.182 0.000 0.730 1349 N CB -1.057 37.503 38.487 0.122 0.000 0.894 1349 N HN 0.319 nan 8.380 nan 0.000 0.544 1350 A N -0.023 123.000 122.820 0.339 0.000 2.590 1350 A HA 0.659 4.979 4.320 -0.000 0.000 0.294 1350 A C -0.738 177.061 177.584 0.358 0.000 1.046 1350 A CA -0.635 51.573 52.037 0.286 0.000 0.684 1350 A CB 1.249 20.361 19.000 0.187 0.000 1.279 1350 A HN 0.157 nan 8.150 nan 0.000 0.415 1351 I N 1.543 122.275 120.570 0.269 0.000 2.331 1351 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 1351 I C -0.589 175.645 176.117 0.195 0.000 0.998 1351 I CA -0.699 60.749 61.300 0.246 0.000 1.267 1351 I CB 1.705 39.776 38.000 0.119 0.000 1.386 1351 I HN 0.389 nan 8.210 nan 0.000 0.476 1352 V N 6.736 126.763 119.914 0.188 0.000 2.370 1352 V HA 0.198 4.318 4.120 -0.000 0.000 0.279 1352 V C -0.810 175.447 176.094 0.272 0.000 1.029 1352 V CA -0.497 61.920 62.300 0.196 0.000 0.870 1352 V CB 1.214 33.120 31.823 0.138 0.000 0.984 1352 V HN 0.606 nan 8.190 nan 0.000 0.451 1353 W N 6.644 127.981 121.300 0.062 0.000 2.318 1353 W HA 0.553 5.213 4.660 -0.000 0.000 0.315 1353 W C -0.369 176.179 176.519 0.050 0.000 1.033 1353 W CA -1.691 55.685 57.345 0.051 0.000 1.275 1353 W CB 1.162 30.651 29.460 0.048 0.000 1.250 1353 W HN 0.457 nan 8.180 nan 0.000 0.421 1354 K N 7.721 128.212 120.400 0.152 0.000 2.274 1354 K HA 0.558 4.877 4.320 -0.000 0.000 0.262 1354 K C -0.744 175.754 176.600 -0.170 0.000 0.961 1354 K CA -0.831 55.432 56.287 -0.039 0.000 0.833 1354 K CB 2.052 34.575 32.500 0.038 0.000 1.102 1354 K HN 0.358 nan 8.250 nan 0.000 0.436 1355 I N 4.091 124.493 120.570 -0.280 0.000 2.411 1355 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 1355 I C 1.011 177.052 176.117 -0.127 0.000 1.012 1355 I CA -0.905 60.235 61.300 -0.267 0.000 1.119 1355 I CB 1.479 39.199 38.000 -0.467 0.000 1.261 1355 I HN 0.440 nan 8.210 nan 0.000 0.448 1356 K N 5.481 125.841 120.400 -0.066 0.000 2.071 1356 K HA -0.177 4.142 4.320 -0.000 0.000 0.217 1356 K C 0.606 177.189 176.600 -0.029 0.000 1.054 1356 K CA 1.762 58.030 56.287 -0.032 0.000 0.937 1356 K CB -0.405 32.086 32.500 -0.014 0.000 0.719 1356 K HN 0.795 nan 8.250 nan 0.000 0.454 1357 R N -1.684 118.795 120.500 -0.034 0.000 2.728 1357 R HA 0.564 4.903 4.340 -0.000 0.000 0.274 1357 R C -1.339 174.953 176.300 -0.013 0.000 1.032 1357 R CA -0.755 55.337 56.100 -0.013 0.000 0.866 1357 R CB 0.971 31.269 30.300 -0.002 0.000 1.263 1357 R HN 0.057 nan 8.270 nan 0.000 0.475 1358 M N 1.609 121.229 119.600 0.033 0.000 2.371 1358 M HA 0.632 5.112 4.480 -0.000 0.000 0.287 1358 M C -1.167 175.234 176.300 0.169 0.000 1.149 1358 M CA -0.448 54.879 55.300 0.046 0.000 0.929 1358 M CB 2.497 35.066 32.600 -0.053 0.000 1.683 1358 M HN 0.988 nan 8.290 nan 0.000 0.470 1359 A N 2.614 125.521 122.820 0.145 0.000 2.262 1359 A HA 0.740 5.060 4.320 -0.000 0.000 0.273 1359 A C 0.429 178.238 177.584 0.375 0.000 1.202 1359 A CA 0.119 52.292 52.037 0.225 0.000 0.811 1359 A CB -0.279 18.797 19.000 0.126 0.000 1.159 1359 A HN 0.962 nan 8.150 nan 0.000 0.505 1360 G N -2.108 106.941 108.800 0.415 0.000 2.528 1360 G HA2 0.493 4.453 3.960 -0.000 0.000 0.289 1360 G HA3 0.493 4.453 3.960 -0.000 0.000 0.289 1360 G C 0.064 174.945 174.900 -0.032 0.000 1.192 1360 G CA -0.523 44.706 45.100 0.216 0.000 0.921 1360 G HN 0.747 nan 8.290 nan 0.000 0.512 1361 M N -0.276 119.215 119.600 -0.181 0.000 3.480 1361 M HA -0.145 4.335 4.480 -0.000 0.000 0.163 1361 M C -0.030 176.230 176.300 -0.066 0.000 1.420 1361 M CA 0.920 56.158 55.300 -0.104 0.000 0.919 1361 M CB -2.103 30.477 32.600 -0.033 0.000 1.294 1361 M HN 0.692 nan 8.290 nan 0.000 0.559 1362 K N 0.208 120.551 120.400 -0.094 0.000 2.597 1362 K HA 0.575 4.894 4.320 -0.000 0.000 0.282 1362 K C -0.439 176.117 176.600 -0.073 0.000 0.975 1362 K CA -0.991 55.261 56.287 -0.058 0.000 0.867 1362 K CB 2.797 35.274 32.500 -0.039 0.000 1.465 1362 K HN 0.503 nan 8.250 nan 0.000 0.417 1363 E N 0.113 120.289 120.200 -0.039 0.000 2.336 1363 E HA 0.720 5.070 4.350 -0.000 0.000 0.267 1363 E C -1.189 175.413 176.600 0.005 0.000 0.906 1363 E CA -0.877 55.507 56.400 -0.026 0.000 0.781 1363 E CB 2.166 31.865 29.700 -0.002 0.000 1.261 1363 E HN 0.315 nan 8.360 nan 0.000 0.436 1364 S N 0.452 116.181 115.700 0.047 0.000 2.541 1364 S HA 0.337 4.806 4.470 -0.000 0.000 0.271 1364 S C -1.479 173.271 174.600 0.250 0.000 1.133 1364 S CA -0.862 57.429 58.200 0.152 0.000 0.876 1364 S CB 1.892 65.183 63.200 0.152 0.000 1.105 1364 S HN 0.606 nan 8.310 nan 0.000 0.470 1365 Q N 1.511 121.444 119.800 0.222 0.000 2.423 1365 Q HA 0.770 5.109 4.340 -0.000 0.000 0.278 1365 Q C -1.892 173.998 176.000 -0.184 0.000 1.097 1365 Q CA -0.734 55.108 55.803 0.065 0.000 0.809 1365 Q CB 2.060 30.805 28.738 0.012 0.000 1.391 1365 Q HN 0.788 nan 8.270 nan 0.000 0.428 1366 I N 1.575 121.904 120.570 -0.401 0.000 2.607 1366 I HA 0.464 4.633 4.170 -0.000 0.000 0.290 1366 I C -1.644 174.266 176.117 -0.345 0.000 1.129 1366 I CA -0.258 60.655 61.300 -0.645 0.000 1.042 1366 I CB 2.294 39.478 38.000 -1.361 0.000 1.242 1366 I HN 0.657 nan 8.210 nan 0.000 0.421 1367 S N 5.248 120.791 115.700 -0.262 0.000 2.570 1367 S HA 0.984 5.453 4.470 -0.000 0.000 0.286 1367 S C -1.033 173.474 174.600 -0.155 0.000 1.099 1367 S CA -0.656 57.445 58.200 -0.164 0.000 0.913 1367 S CB 2.043 65.176 63.200 -0.112 0.000 1.085 1367 S HN 0.852 nan 8.310 nan 0.000 0.480 1368 A N 1.251 123.997 122.820 -0.124 0.000 2.589 1368 A HA 0.712 5.032 4.320 -0.000 0.000 0.296 1368 A C -1.478 176.043 177.584 -0.106 0.000 1.062 1368 A CA -0.669 51.296 52.037 -0.121 0.000 0.686 1368 A CB 1.357 20.270 19.000 -0.145 0.000 1.282 1368 A HN 0.741 nan 8.150 nan 0.000 0.404 1369 E N 1.454 121.593 120.200 -0.103 0.000 2.151 1369 E HA 0.610 4.959 4.350 -0.000 0.000 0.275 1369 E C -1.253 175.271 176.600 -0.127 0.000 0.936 1369 E CA -0.411 55.932 56.400 -0.095 0.000 0.777 1369 E CB 0.898 30.555 29.700 -0.072 0.000 1.108 1369 E HN 0.546 nan 8.360 nan 0.000 0.401 1370 I N 4.083 124.570 120.570 -0.138 0.000 2.339 1370 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 1370 I C 0.148 176.180 176.117 -0.141 0.000 0.994 1370 I CA -0.701 60.488 61.300 -0.185 0.000 1.191 1370 I CB 1.369 39.225 38.000 -0.239 0.000 1.343 1370 I HN 0.394 nan 8.210 nan 0.000 0.458 1371 E N 6.956 127.078 120.200 -0.130 0.000 2.283 1371 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 1371 E C -0.928 175.612 176.600 -0.100 0.000 1.027 1371 E CA -0.414 55.931 56.400 -0.092 0.000 0.843 1371 E CB 1.909 31.569 29.700 -0.066 0.000 1.062 1371 E HN 0.410 nan 8.360 nan 0.000 0.401 1372 L N 3.125 124.300 121.223 -0.080 0.000 2.386 1372 L HA 0.347 4.686 4.340 -0.000 0.000 0.271 1372 L C -0.621 176.218 176.870 -0.051 0.000 0.993 1372 L CA -0.989 53.803 54.840 -0.080 0.000 0.819 1372 L CB 1.369 43.377 42.059 -0.086 0.000 1.294 1372 L HN 0.148 nan 8.230 nan 0.000 0.414 1373 L N 4.047 125.242 121.223 -0.046 0.000 2.305 1373 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 1373 L C -1.840 175.015 176.870 -0.024 0.000 1.085 1373 L CA -1.779 53.044 54.840 -0.029 0.000 0.813 1373 L CB 0.241 42.286 42.059 -0.023 0.000 1.157 1373 L HN 0.381 nan 8.230 nan 0.000 0.436 1374 P HA -0.032 nan 4.420 nan 0.000 0.263 1374 P C -0.197 177.101 177.300 -0.004 0.000 1.168 1374 P CA 0.030 63.124 63.100 -0.009 0.000 0.759 1374 P CB 0.052 31.748 31.700 -0.006 0.000 0.782 1375 T N -0.471 114.084 114.554 0.002 0.000 2.889 1375 T HA 0.267 4.617 4.350 -0.000 0.000 0.291 1375 T C 0.753 175.458 174.700 0.010 0.000 0.995 1375 T CA -0.749 61.356 62.100 0.008 0.000 1.092 1375 T CB 0.120 68.999 68.868 0.019 0.000 0.954 1375 T HN 0.461 nan 8.240 nan 0.000 0.506 1376 N N 0.159 118.866 118.700 0.011 0.000 2.273 1376 N HA 0.239 4.979 4.740 -0.000 0.000 0.231 1376 N C -0.396 175.122 175.510 0.014 0.000 1.134 1376 N CA -0.635 52.421 53.050 0.011 0.000 0.856 1376 N CB 0.399 38.891 38.487 0.008 0.000 1.068 1376 N HN 0.793 nan 8.380 nan 0.000 0.510 1377 D N -1.486 118.925 120.400 0.019 0.000 3.561 1377 D HA 0.222 4.862 4.640 -0.000 0.000 0.302 1377 D C -0.776 175.540 176.300 0.025 0.000 1.417 1377 D CA -0.567 53.447 54.000 0.022 0.000 0.994 1377 D CB 0.170 40.986 40.800 0.028 0.000 1.358 1377 D HN -0.289 nan 8.370 nan 0.000 0.626 1378 K N 0.558 120.976 120.400 0.030 0.000 2.401 1378 K HA 0.146 4.466 4.320 -0.000 0.000 0.278 1378 K C 0.101 176.726 176.600 0.042 0.000 1.018 1378 K CA -0.219 56.087 56.287 0.032 0.000 0.981 1378 K CB 0.502 33.021 32.500 0.032 0.000 0.933 1378 K HN 0.304 nan 8.250 nan 0.000 0.477 1379 K N 3.401 123.824 120.400 0.037 0.000 2.989 1379 K HA 0.058 4.378 4.320 -0.000 0.000 0.264 1379 K C 0.085 176.722 176.600 0.063 0.000 1.228 1379 K CA 0.179 56.492 56.287 0.044 0.000 1.186 1379 K CB -0.120 32.399 32.500 0.032 0.000 1.409 1379 K HN 0.190 nan 8.250 nan 0.000 0.271 1380 K N 0.338 120.788 120.400 0.083 0.000 2.469 1380 K HA 0.317 4.637 4.320 -0.000 0.000 0.254 1380 K C -1.412 175.302 176.600 0.190 0.000 0.939 1380 K CA -0.695 55.655 56.287 0.105 0.000 0.812 1380 K CB 2.229 34.764 32.500 0.058 0.000 1.301 1380 K HN 0.232 nan 8.250 nan 0.000 0.433 1381 W N 2.370 123.670 121.300 0.001 0.000 2.728 1381 W HA 0.519 5.179 4.660 -0.001 0.000 0.324 1381 W C -0.997 175.524 176.519 0.004 0.000 1.012 1381 W CA -0.564 56.783 57.345 0.003 0.000 1.279 1381 W CB 0.889 30.350 29.460 0.002 0.000 1.289 1381 W HN 0.663 nan 8.180 nan 0.000 0.418 1382 A N 5.698 128.300 122.820 -0.363 0.000 2.520 1382 A HA 0.459 4.779 4.320 -0.000 0.000 0.245 1382 A C 0.139 177.137 177.584 -0.976 0.000 1.072 1382 A CA -0.086 51.676 52.037 -0.459 0.000 0.761 1382 A CB 0.217 19.082 19.000 -0.225 0.000 1.004 1382 A HN 0.662 nan 8.150 nan 0.000 0.499 1383 R N 3.244 123.210 120.500 -0.889 0.000 2.215 1383 R HA 0.345 4.685 4.340 -0.000 0.000 0.336 1383 R C -2.717 173.321 176.300 -0.435 0.000 0.996 1383 R CA -1.558 53.916 56.100 -1.044 0.000 0.847 1383 R CB 0.667 30.409 30.300 -0.931 0.000 1.127 1383 R HN 0.473 nan 8.270 nan 0.000 0.465 1384 P HA 0.067 nan 4.420 nan 0.000 0.267 1384 P C -2.386 174.896 177.300 -0.031 0.000 1.205 1384 P CA -1.100 61.963 63.100 -0.062 0.000 0.765 1384 P CB 0.235 31.968 31.700 0.056 0.000 0.828 1385 P HA 0.030 nan 4.420 nan 0.000 0.268 1385 P C -0.253 177.077 177.300 0.050 0.000 1.208 1385 P CA 0.335 63.436 63.100 0.002 0.000 0.777 1385 P CB 0.255 31.953 31.700 -0.004 0.000 0.875 1386 I N 1.185 121.796 120.570 0.069 0.000 2.363 1386 I HA 0.057 4.227 4.170 -0.000 0.000 0.292 1386 I C 0.840 177.030 176.117 0.121 0.000 1.075 1386 I CA 0.230 61.596 61.300 0.110 0.000 1.333 1386 I CB -0.047 38.028 38.000 0.126 0.000 1.415 1386 I HN 0.237 nan 8.210 nan 0.000 0.502 1387 S N 7.124 122.897 115.700 0.122 0.000 2.614 1387 S HA 0.618 5.088 4.470 -0.000 0.000 0.265 1387 S C -0.249 174.448 174.600 0.162 0.000 1.303 1387 S CA -0.485 57.789 58.200 0.124 0.000 1.000 1387 S CB 1.161 64.415 63.200 0.091 0.000 0.935 1387 S HN 0.638 nan 8.310 nan 0.000 0.551 1388 M N 2.162 121.859 119.600 0.161 0.000 2.365 1388 M HA 0.381 4.860 4.480 -0.000 0.000 0.287 1388 M C -2.094 174.173 176.300 -0.055 0.000 1.154 1388 M CA -0.407 54.987 55.300 0.156 0.000 0.941 1388 M CB 1.478 34.285 32.600 0.346 0.000 1.704 1388 M HN 0.564 nan 8.290 nan 0.000 0.479 1389 N N 3.342 121.983 118.700 -0.098 0.000 2.229 1389 N HA 0.798 5.538 4.740 -0.000 0.000 0.298 1389 N C -1.646 173.749 175.510 -0.192 0.000 1.114 1389 N CA -0.022 52.844 53.050 -0.306 0.000 0.776 1389 N CB 2.440 40.837 38.487 -0.149 0.000 1.501 1389 N HN 0.619 nan 8.380 nan 0.000 0.474 1390 F N -0.852 119.046 119.950 -0.087 0.000 3.913 1390 F HA 0.574 5.101 4.527 -0.000 0.000 0.331 1390 F C -1.466 174.243 175.800 -0.151 0.000 1.092 1390 F CA -0.855 57.090 58.000 -0.091 0.000 0.849 1390 F CB 1.037 39.979 39.000 -0.096 0.000 1.719 1390 F HN 0.251 nan 8.300 nan 0.000 0.510 1391 E N 1.214 121.638 120.200 0.374 0.000 2.677 1391 E HA 0.487 4.837 4.350 -0.000 0.000 0.330 1391 E C -2.180 174.281 176.600 -0.231 0.000 0.933 1391 E CA -0.391 56.055 56.400 0.077 0.000 0.797 1391 E CB 2.239 31.942 29.700 0.005 0.000 1.326 1391 E HN 0.965 nan 8.360 nan 0.000 0.404 1392 V N 1.917 121.545 119.914 -0.476 0.000 2.555 1392 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 1392 V C -2.082 173.572 176.094 -0.732 0.000 1.038 1392 V CA -1.939 59.832 62.300 -0.882 0.000 0.887 1392 V CB 1.534 32.370 31.823 -1.646 0.000 0.991 1392 V HN 0.512 nan 8.190 nan 0.000 0.434 1393 P HA 0.136 nan 4.420 nan 0.000 0.271 1393 P C -0.592 176.665 177.300 -0.071 0.000 1.535 1393 P CA 0.465 63.413 63.100 -0.253 0.000 0.820 1393 P CB -0.778 30.816 31.700 -0.177 0.000 1.606 1394 F N -2.693 117.237 119.950 -0.033 0.000 2.715 1394 F HA 0.756 5.283 4.527 -0.001 0.000 0.318 1394 F C -1.301 174.456 175.800 -0.073 0.000 1.141 1394 F CA -3.036 54.968 58.000 0.006 0.000 0.950 1394 F CB 0.355 39.318 39.000 -0.061 0.000 1.374 1394 F HN -0.173 nan 8.300 nan 0.000 0.477 1395 A N 1.873 124.835 122.820 0.237 0.000 2.415 1395 A HA 0.579 4.898 4.320 -0.000 0.000 0.309 1395 A C -2.150 175.520 177.584 0.143 0.000 1.356 1395 A CA -1.394 50.672 52.037 0.048 0.000 0.998 1395 A CB -0.531 18.290 19.000 -0.298 0.000 1.145 1395 A HN 0.593 nan 8.150 nan 0.000 0.545 1396 P HA -0.185 nan 4.420 nan 0.000 0.222 1396 P C 1.502 178.830 177.300 0.048 0.000 1.142 1396 P CA 1.870 65.097 63.100 0.211 0.000 0.788 1396 P CB 0.243 32.083 31.700 0.234 0.000 0.767 1397 S N -2.688 113.031 115.700 0.031 0.000 2.501 1397 S HA 0.244 4.714 4.470 -0.000 0.000 0.220 1397 S C 1.756 176.351 174.600 -0.008 0.000 0.997 1397 S CA 0.680 58.892 58.200 0.020 0.000 0.919 1397 S CB -0.812 62.428 63.200 0.067 0.000 0.778 1397 S HN 0.263 nan 8.310 nan 0.000 0.523 1398 G N 0.753 109.518 108.800 -0.057 0.000 2.195 1398 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.224 1398 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.224 1398 G C -0.090 174.764 174.900 -0.076 0.000 0.990 1398 G CA -0.007 45.042 45.100 -0.085 0.000 0.639 1398 G HN 0.541 nan 8.290 nan 0.000 0.514 1399 L N 1.086 122.274 121.223 -0.059 0.000 2.455 1399 L HA 0.501 4.840 4.340 -0.000 0.000 0.272 1399 L C 0.208 176.970 176.870 -0.180 0.000 1.174 1399 L CA 0.377 55.176 54.840 -0.067 0.000 0.869 1399 L CB 0.442 42.492 42.059 -0.015 0.000 1.130 1399 L HN 0.154 nan 8.230 nan 0.000 0.474 1400 K N 3.562 123.919 120.400 -0.071 0.000 2.468 1400 K HA 0.415 4.734 4.320 -0.000 0.000 0.252 1400 K C -1.296 175.403 176.600 0.165 0.000 0.932 1400 K CA -0.846 55.447 56.287 0.010 0.000 0.794 1400 K CB 2.654 35.186 32.500 0.053 0.000 1.241 1400 K HN 0.257 nan 8.250 nan 0.000 0.428 1401 V N 4.232 124.351 119.914 0.341 0.000 2.488 1401 V HA 0.138 4.258 4.120 -0.000 0.000 0.277 1401 V C 1.179 177.329 176.094 0.093 0.000 1.046 1401 V CA -0.174 62.258 62.300 0.220 0.000 0.986 1401 V CB 0.882 32.787 31.823 0.137 0.000 0.989 1401 V HN 0.696 nan 8.190 nan 0.000 0.475 1402 R N 3.526 124.045 120.500 0.033 0.000 2.206 1402 R HA 0.195 4.535 4.340 -0.000 0.000 0.198 1402 R C -0.189 176.186 176.300 0.126 0.000 0.986 1402 R CA 0.636 56.778 56.100 0.071 0.000 1.029 1402 R CB 0.347 30.714 30.300 0.112 0.000 0.966 1402 R HN 0.847 nan 8.270 nan 0.000 0.487 1403 Y N -3.162 117.076 120.300 -0.103 0.000 2.786 1403 Y HA 0.453 5.003 4.550 -0.000 0.000 0.365 1403 Y C -1.931 173.814 175.900 -0.258 0.000 1.171 1403 Y CA -1.373 56.635 58.100 -0.153 0.000 1.214 1403 Y CB 0.712 39.125 38.460 -0.079 0.000 1.411 1403 Y HN -0.168 nan 8.280 nan 0.000 0.485 1404 L N 4.064 125.311 121.223 0.040 0.000 2.514 1404 L HA 0.492 4.831 4.340 -0.000 0.000 0.257 1404 L C -1.183 175.733 176.870 0.077 0.000 1.101 1404 L CA -0.641 54.175 54.840 -0.040 0.000 0.911 1404 L CB 0.988 42.911 42.059 -0.227 0.000 1.162 1404 L HN 0.804 nan 8.230 nan 0.000 0.477 1405 K N 2.396 122.907 120.400 0.185 0.000 2.401 1405 K HA 0.422 4.742 4.320 -0.000 0.000 0.278 1405 K C -0.811 175.797 176.600 0.014 0.000 1.018 1405 K CA -0.179 56.142 56.287 0.057 0.000 0.981 1405 K CB 1.663 34.183 32.500 0.032 0.000 0.933 1405 K HN 0.262 nan 8.250 nan 0.000 0.477 1406 V N 4.355 124.271 119.914 0.003 0.000 2.588 1406 V HA 0.464 4.584 4.120 -0.000 0.000 0.304 1406 V C -1.127 174.973 176.094 0.011 0.000 1.042 1406 V CA -0.906 61.391 62.300 -0.006 0.000 0.877 1406 V CB 1.190 33.024 31.823 0.018 0.000 0.996 1406 V HN 0.691 nan 8.190 nan 0.000 0.425 1407 F N 3.601 123.418 119.950 -0.221 0.000 2.607 1407 F HA 0.702 5.228 4.527 -0.001 0.000 0.322 1407 F C -0.639 174.959 175.800 -0.337 0.000 1.176 1407 F CA -0.473 57.364 58.000 -0.272 0.000 0.977 1407 F CB 1.766 40.660 39.000 -0.175 0.000 1.242 1407 F HN 0.558 nan 8.300 nan 0.000 0.465 1408 E N 8.852 128.422 120.200 -1.050 0.000 2.134 1408 E HA 0.444 4.794 4.350 -0.000 0.000 0.278 1408 E C -2.337 173.744 176.600 -0.864 0.000 0.959 1408 E CA -2.809 53.104 56.400 -0.811 0.000 0.783 1408 E CB 1.624 30.735 29.700 -0.980 0.000 1.095 1408 E HN 0.323 nan 8.360 nan 0.000 0.399 1409 P HA -0.058 nan 4.420 nan 0.000 0.216 1409 P C 0.779 177.989 177.300 -0.150 0.000 1.156 1409 P CA 0.625 63.602 63.100 -0.206 0.000 0.855 1409 P CB 0.423 32.179 31.700 0.095 0.000 0.786 1410 K N 0.162 120.510 120.400 -0.086 0.000 1.965 1410 K HA 0.004 4.323 4.320 -0.000 0.000 0.214 1410 K C 1.646 178.219 176.600 -0.045 0.000 1.046 1410 K CA 0.709 56.973 56.287 -0.038 0.000 0.944 1410 K CB -1.247 31.254 32.500 0.002 0.000 0.726 1410 K HN 0.185 nan 8.250 nan 0.000 0.441 1411 L N 1.125 122.334 121.223 -0.023 0.000 2.456 1411 L HA -0.081 4.259 4.340 -0.000 0.000 0.246 1411 L C 1.617 178.470 176.870 -0.029 0.000 1.238 1411 L CA 0.248 55.114 54.840 0.044 0.000 0.826 1411 L CB 0.009 42.209 42.059 0.235 0.000 1.150 1411 L HN 0.355 nan 8.230 nan 0.000 0.514 1412 N N -1.254 117.477 118.700 0.052 0.000 2.395 1412 N HA -0.090 4.650 4.740 -0.000 0.000 0.175 1412 N C 0.200 175.706 175.510 -0.007 0.000 1.029 1412 N CA -0.116 52.934 53.050 -0.001 0.000 0.897 1412 N CB -0.301 38.202 38.487 0.026 0.000 0.991 1412 N HN 0.523 nan 8.380 nan 0.000 0.441 1413 Y N 0.990 121.214 120.300 -0.126 0.000 2.480 1413 Y HA 0.381 4.931 4.550 -0.001 0.000 0.338 1413 Y C 0.314 176.126 175.900 -0.146 0.000 1.220 1413 Y CA -1.139 56.901 58.100 -0.100 0.000 1.430 1413 Y CB 0.548 38.970 38.460 -0.063 0.000 1.311 1413 Y HN 0.097 nan 8.280 nan 0.000 0.575 1414 S N 0.718 116.409 115.700 -0.015 0.000 2.745 1414 S HA 0.294 4.764 4.470 -0.000 0.000 0.306 1414 S C 0.108 174.721 174.600 0.021 0.000 1.137 1414 S CA -0.438 57.728 58.200 -0.056 0.000 0.900 1414 S CB 1.581 64.801 63.200 0.034 0.000 1.176 1414 S HN 0.770 nan 8.310 nan 0.000 0.520 1415 D N 0.837 121.210 120.400 -0.045 0.000 2.154 1415 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 1415 D C 1.700 177.988 176.300 -0.020 0.000 1.003 1415 D CA 2.069 56.028 54.000 -0.067 0.000 0.849 1415 D CB -0.550 40.147 40.800 -0.171 0.000 0.942 1415 D HN 0.657 nan 8.370 nan 0.000 0.446 1416 H N 0.258 119.334 119.070 0.011 0.000 2.472 1416 H HA -0.133 4.423 4.556 -0.001 0.000 0.296 1416 H C 1.148 176.480 175.328 0.007 0.000 1.120 1416 H CA 1.516 57.564 56.048 -0.000 0.000 1.250 1416 H CB -0.122 29.642 29.762 0.003 0.000 1.366 1416 H HN 0.369 nan 8.280 nan 0.000 0.524 1417 D N 0.216 120.715 120.400 0.165 0.000 2.350 1417 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 1417 D C 0.528 176.876 176.300 0.080 0.000 1.031 1417 D CA 0.122 54.191 54.000 0.115 0.000 0.861 1417 D CB 0.745 41.638 40.800 0.154 0.000 0.926 1417 D HN 0.040 nan 8.370 nan 0.000 0.520 1418 V N 1.926 121.891 119.914 0.085 0.000 2.481 1418 V HA 0.262 4.382 4.120 -0.000 0.000 0.286 1418 V C 0.425 176.500 176.094 -0.030 0.000 1.042 1418 V CA -0.663 61.670 62.300 0.055 0.000 0.928 1418 V CB 2.331 34.211 31.823 0.095 0.000 0.986 1418 V HN -0.062 nan 8.190 nan 0.000 0.462 1419 I N 5.116 125.657 120.570 -0.048 0.000 2.304 1419 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 1419 I C 0.016 175.965 176.117 -0.280 0.000 1.018 1419 I CA -0.390 60.807 61.300 -0.170 0.000 1.260 1419 I CB 0.869 38.840 38.000 -0.049 0.000 1.390 1419 I HN 0.542 nan 8.210 nan 0.000 0.475 1420 K N 6.146 126.272 120.400 -0.456 0.000 2.274 1420 K HA 0.448 4.768 4.320 -0.000 0.000 0.262 1420 K C -1.627 174.555 176.600 -0.696 0.000 0.961 1420 K CA -0.536 55.493 56.287 -0.431 0.000 0.833 1420 K CB 1.625 33.967 32.500 -0.264 0.000 1.102 1420 K HN 0.357 nan 8.250 nan 0.000 0.436 1421 W N 2.263 123.336 121.300 -0.378 0.000 2.532 1421 W HA 0.464 5.124 4.660 -0.000 0.000 0.321 1421 W C -0.461 175.925 176.519 -0.222 0.000 1.037 1421 W CA -0.693 56.445 57.345 -0.345 0.000 1.220 1421 W CB 1.345 30.472 29.460 -0.554 0.000 1.361 1421 W HN 0.153 nan 8.180 nan 0.000 0.468 1422 V N 2.653 122.573 119.914 0.009 0.000 3.166 1422 V HA 0.728 4.848 4.120 -0.000 0.000 0.317 1422 V C -0.508 175.526 176.094 -0.100 0.000 1.136 1422 V CA -1.509 60.738 62.300 -0.088 0.000 1.035 1422 V CB 2.204 33.882 31.823 -0.241 0.000 1.110 1422 V HN 0.507 nan 8.190 nan 0.000 0.450 1423 R N 0.684 121.051 120.500 -0.221 0.000 3.170 1423 R HA 0.318 4.658 4.340 -0.000 0.000 0.257 1423 R C -2.481 173.753 176.300 -0.111 0.000 1.139 1423 R CA -0.524 55.473 56.100 -0.171 0.000 1.158 1423 R CB 0.942 31.241 30.300 -0.001 0.000 1.269 1423 R HN 0.630 nan 8.270 nan 0.000 0.459 1424 Y N 4.695 125.030 120.300 0.060 0.000 2.330 1424 Y HA 0.513 5.063 4.550 -0.001 0.000 0.336 1424 Y C 0.484 176.390 175.900 0.011 0.000 1.036 1424 Y CA -0.970 57.165 58.100 0.059 0.000 1.125 1424 Y CB 1.442 39.956 38.460 0.088 0.000 1.194 1424 Y HN 0.392 nan 8.280 nan 0.000 0.469 1425 I N 3.101 123.774 120.570 0.173 0.000 2.698 1425 I HA 0.288 4.458 4.170 -0.000 0.000 0.276 1425 I C 0.269 176.400 176.117 0.024 0.000 1.166 1425 I CA -0.428 60.903 61.300 0.051 0.000 1.101 1425 I CB 0.967 38.991 38.000 0.039 0.000 1.305 1425 I HN 0.816 nan 8.210 nan 0.000 0.526 1426 G N 5.352 114.128 108.800 -0.039 0.000 2.338 1426 G HA2 0.550 4.510 3.960 -0.000 0.000 0.295 1426 G HA3 0.550 4.510 3.960 -0.000 0.000 0.295 1426 G C -0.074 174.811 174.900 -0.025 0.000 1.132 1426 G CA -0.284 44.796 45.100 -0.034 0.000 0.922 1426 G HN 0.470 nan 8.290 nan 0.000 0.427 1427 R N 0.869 121.380 120.500 0.018 0.000 2.705 1427 R HA 0.722 5.061 4.340 -0.000 0.000 0.246 1427 R C 0.181 176.465 176.300 -0.026 0.000 1.142 1427 R CA -0.674 55.436 56.100 0.016 0.000 1.114 1427 R CB 1.364 31.643 30.300 -0.034 0.000 1.256 1427 R HN 0.595 nan 8.270 nan 0.000 0.536 1428 S N -1.112 114.412 115.700 -0.293 0.000 2.513 1428 S HA 0.669 5.139 4.470 -0.000 0.000 0.299 1428 S C -0.019 174.400 174.600 -0.303 0.000 1.087 1428 S CA -0.589 57.295 58.200 -0.526 0.000 1.012 1428 S CB 2.107 64.298 63.200 -1.681 0.000 1.044 1428 S HN 0.702 nan 8.310 nan 0.000 0.485 1429 G N 1.333 110.040 108.800 -0.156 0.000 2.968 1429 G HA2 0.390 4.350 3.960 -0.000 0.000 0.206 1429 G HA3 0.390 4.350 3.960 -0.000 0.000 0.206 1429 G C -0.173 174.713 174.900 -0.023 0.000 2.051 1429 G CA -0.830 44.224 45.100 -0.078 0.000 0.773 1429 G HN 0.745 nan 8.290 nan 0.000 0.741 1430 I N 1.393 121.981 120.570 0.031 0.000 2.270 1430 I HA 0.174 4.344 4.170 -0.000 0.000 0.300 1430 I C -1.077 175.099 176.117 0.099 0.000 1.186 1430 I CA 0.075 61.409 61.300 0.056 0.000 1.431 1430 I CB -0.144 37.892 38.000 0.060 0.000 1.485 1430 I HN 0.199 nan 8.210 nan 0.000 0.650 1431 Y N 5.742 126.012 120.300 -0.050 0.000 2.721 1431 Y HA 0.361 4.911 4.550 -0.000 0.000 0.328 1431 Y C -0.058 175.856 175.900 0.023 0.000 1.003 1431 Y CA -0.484 57.606 58.100 -0.017 0.000 1.275 1431 Y CB 0.557 38.964 38.460 -0.087 0.000 1.097 1431 Y HN 0.480 nan 8.280 nan 0.000 0.514 1432 E N 2.337 122.524 120.200 -0.022 0.000 2.293 1432 E HA 0.429 4.779 4.350 -0.000 0.000 0.270 1432 E C -1.050 175.530 176.600 -0.032 0.000 0.879 1432 E CA -1.120 55.290 56.400 0.016 0.000 0.756 1432 E CB 2.219 31.932 29.700 0.022 0.000 1.208 1432 E HN 0.261 nan 8.360 nan 0.000 0.428 1433 T N 2.048 116.613 114.554 0.018 0.000 2.779 1433 T HA 0.264 4.614 4.350 -0.000 0.000 0.280 1433 T C -0.242 174.464 174.700 0.010 0.000 0.987 1433 T CA -0.786 61.319 62.100 0.008 0.000 0.966 1433 T CB 0.620 69.517 68.868 0.048 0.000 0.933 1433 T HN 0.229 nan 8.240 nan 0.000 0.442 1434 R N 2.036 122.530 120.500 -0.011 0.000 2.480 1434 R HA 0.105 4.444 4.340 -0.000 0.000 0.303 1434 R C 0.519 176.809 176.300 -0.017 0.000 0.985 1434 R CA -0.331 55.754 56.100 -0.024 0.000 1.051 1434 R CB -0.309 29.971 30.300 -0.032 0.000 0.935 1434 R HN 0.670 nan 8.270 nan 0.000 0.410 1435 C N 0.000 119.281 119.300 -0.031 0.000 2.653 1435 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 1435 C CA 0.000 59.004 59.018 -0.024 0.000 1.963 1435 C CB 0.000 27.699 27.740 -0.068 0.000 2.134 1435 C HN 0.000 nan 8.230 nan 0.000 0.568