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_B 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 ECKFGMNXXX 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 0.000 176.343 176.300 0.071 0.000 1.140 421 M CA 0.000 55.318 55.300 0.030 0.000 0.988 421 M CB 0.000 32.622 32.600 0.036 0.000 1.302 422 D N 0.459 120.909 120.400 0.084 0.000 2.313 422 D HA 0.539 5.177 4.640 -0.003 0.000 0.247 422 D C 1.136 177.531 176.300 0.158 0.000 1.094 422 D CA -0.236 53.826 54.000 0.104 0.000 0.925 422 D CB 1.143 41.987 40.800 0.073 0.000 1.188 422 D HN 0.602 nan 8.370 nan 0.000 0.430 423 M N 2.160 121.862 119.600 0.170 0.000 2.080 423 M HA -0.206 4.272 4.480 -0.003 0.000 0.260 423 M C 2.026 178.417 176.300 0.152 0.000 1.068 423 M CA 1.850 57.264 55.300 0.189 0.000 1.109 423 M CB -0.531 32.103 32.600 0.056 0.000 1.342 423 M HN 0.635 nan 8.290 nan 0.000 0.405 424 A N -0.228 122.654 122.820 0.102 0.000 1.892 424 A HA -0.208 4.110 4.320 -0.003 0.000 0.218 424 A C 2.275 179.913 177.584 0.089 0.000 1.188 424 A CA 2.496 54.584 52.037 0.085 0.000 0.631 424 A CB -1.002 18.034 19.000 0.060 0.000 0.822 424 A HN 0.490 nan 8.150 nan 0.000 0.447 425 S N -0.663 115.094 115.700 0.094 0.000 2.368 425 S HA -0.124 4.345 4.470 -0.003 0.000 0.225 425 S C 1.935 176.614 174.600 0.132 0.000 1.030 425 S CA 1.371 59.624 58.200 0.090 0.000 0.999 425 S CB -0.544 62.705 63.200 0.080 0.000 0.844 425 S HN 0.389 nan 8.310 nan 0.000 0.459 426 V N 2.316 122.345 119.914 0.192 0.000 2.252 426 V HA -0.249 3.870 4.120 -0.003 0.000 0.249 426 V C 2.688 178.942 176.094 0.267 0.000 1.056 426 V CA 2.290 64.760 62.300 0.284 0.000 1.022 426 V CB -1.889 30.172 31.823 0.398 0.000 0.641 426 V HN 0.653 nan 8.190 nan 0.000 0.445 427 T N -0.549 114.132 114.554 0.212 0.000 2.684 427 T HA -0.261 4.087 4.350 -0.003 0.000 0.267 427 T C 1.768 176.483 174.700 0.025 0.000 1.036 427 T CA 1.526 63.733 62.100 0.179 0.000 1.148 427 T CB -0.465 68.553 68.868 0.250 0.000 0.863 427 T HN 0.447 nan 8.240 nan 0.000 0.436 428 K N 1.514 121.911 120.400 -0.006 0.000 2.286 428 K HA -0.006 4.312 4.320 -0.003 0.000 0.203 428 K C 2.611 179.165 176.600 -0.077 0.000 1.045 428 K CA 1.020 57.248 56.287 -0.097 0.000 0.935 428 K CB -0.388 32.090 32.500 -0.035 0.000 0.737 428 K HN 0.477 nan 8.250 nan 0.000 0.460 429 A N 1.406 124.245 122.820 0.032 0.000 1.854 429 A HA -0.123 4.195 4.320 -0.003 0.000 0.214 429 A C 2.115 179.690 177.584 -0.016 0.000 1.192 429 A CA 1.189 53.314 52.037 0.145 0.000 0.611 429 A CB -0.368 18.915 19.000 0.471 0.000 0.832 429 A HN 0.157 nan 8.150 nan 0.000 0.442 430 M N -0.136 119.226 119.600 -0.396 0.000 2.202 430 M HA -0.139 4.339 4.480 -0.003 0.000 0.262 430 M C 2.464 178.541 176.300 -0.373 0.000 1.063 430 M CA 1.214 56.068 55.300 -0.742 0.000 1.097 430 M CB -0.662 31.454 32.600 -0.807 0.000 1.382 430 M HN 0.471 nan 8.290 nan 0.000 0.413 431 A N 1.272 123.850 122.820 -0.402 0.000 1.869 431 A HA -0.044 4.274 4.320 -0.003 0.000 0.218 431 A C 1.520 178.940 177.584 -0.274 0.000 1.203 431 A CA 1.587 53.315 52.037 -0.514 0.000 0.638 431 A CB -1.245 17.438 19.000 -0.528 0.000 0.831 431 A HN 0.536 nan 8.150 nan 0.000 0.450 432 A N 0.579 123.301 122.820 -0.163 0.000 2.583 432 A HA 0.271 4.589 4.320 -0.003 0.000 0.249 432 A C -0.444 177.095 177.584 -0.074 0.000 1.035 432 A CA -0.002 51.982 52.037 -0.087 0.000 0.777 432 A CB -0.226 18.764 19.000 -0.018 0.000 0.942 432 A HN 0.454 nan 8.150 nan 0.000 0.516 433 P HA -0.162 nan 4.420 nan 0.000 0.223 433 P C 0.774 178.068 177.300 -0.010 0.000 1.144 433 P CA 1.306 64.377 63.100 -0.048 0.000 0.783 433 P CB 0.424 32.095 31.700 -0.049 0.000 0.771 434 E N 0.084 120.289 120.200 0.008 0.000 2.250 434 E HA 0.034 4.382 4.350 -0.003 0.000 0.192 434 E C 1.041 177.698 176.600 0.095 0.000 0.986 434 E CA 0.026 56.450 56.400 0.041 0.000 0.849 434 E CB -0.565 29.155 29.700 0.033 0.000 0.797 434 E HN 0.033 nan 8.360 nan 0.000 0.482 435 S N -1.196 114.574 115.700 0.117 0.000 2.564 435 S HA 0.088 4.556 4.470 -0.003 0.000 0.263 435 S C 1.499 176.306 174.600 0.345 0.000 1.378 435 S CA 0.391 58.756 58.200 0.276 0.000 0.996 435 S CB 0.535 63.868 63.200 0.223 0.000 0.881 435 S HN 0.375 nan 8.310 nan 0.000 0.555 436 G N 1.629 110.883 108.800 0.757 0.000 2.459 436 G HA2 -0.129 3.829 3.960 -0.003 0.000 0.217 436 G HA3 -0.129 3.829 3.960 -0.003 0.000 0.217 436 G C 0.605 175.712 174.900 0.344 0.000 1.183 436 G CA 0.742 46.279 45.100 0.729 0.000 0.776 436 G HN 0.753 nan 8.290 nan 0.000 0.552 437 L N 1.738 122.982 121.223 0.035 0.000 2.706 437 L HA 0.128 4.466 4.340 -0.003 0.000 0.282 437 L C 0.514 177.325 176.870 -0.099 0.000 1.219 437 L CA -0.291 54.428 54.840 -0.203 0.000 0.935 437 L CB 0.005 41.683 42.059 -0.634 0.000 1.204 437 L HN 0.489 nan 8.230 nan 0.000 0.491 438 E N 4.675 124.861 120.200 -0.024 0.000 2.259 438 E HA 0.504 4.852 4.350 -0.003 0.000 0.281 438 E C -1.408 175.192 176.600 0.000 0.000 1.037 438 E CA -0.598 55.803 56.400 0.002 0.000 0.854 438 E CB 1.065 30.784 29.700 0.031 0.000 1.051 438 E HN 0.420 nan 8.360 nan 0.000 0.409 439 V N 5.701 125.611 119.914 -0.006 0.000 2.488 439 V HA 0.520 4.638 4.120 -0.003 0.000 0.293 439 V C -0.151 175.951 176.094 0.014 0.000 1.027 439 V CA -0.846 61.474 62.300 0.033 0.000 0.862 439 V CB 0.957 32.788 31.823 0.014 0.000 1.008 439 V HN 0.776 nan 8.190 nan 0.000 0.428 440 R N 1.934 122.421 120.500 -0.022 0.000 2.831 440 R HA 0.450 4.789 4.340 -0.003 0.000 0.266 440 R C -1.550 174.676 176.300 -0.124 0.000 1.051 440 R CA -0.742 55.324 56.100 -0.057 0.000 0.943 440 R CB 2.331 32.597 30.300 -0.057 0.000 1.228 440 R HN 0.663 nan 8.270 nan 0.000 0.467 441 D N 2.149 122.478 120.400 -0.117 0.000 2.358 441 D HA 0.175 4.813 4.640 -0.003 0.000 0.258 441 D C -0.141 176.032 176.300 -0.211 0.000 1.223 441 D CA 0.158 54.060 54.000 -0.163 0.000 0.886 441 D CB 0.931 41.652 40.800 -0.131 0.000 1.120 441 D HN 0.113 nan 8.370 nan 0.000 0.482 442 R N 1.272 121.579 120.500 -0.321 0.000 2.668 442 R HA 0.541 4.880 4.340 -0.003 0.000 0.279 442 R C -0.303 175.887 176.300 -0.184 0.000 0.976 442 R CA -0.687 55.215 56.100 -0.331 0.000 0.978 442 R CB 1.653 31.490 30.300 -0.771 0.000 1.133 442 R HN 0.409 nan 8.270 nan 0.000 0.484 443 M N 2.549 122.143 119.600 -0.011 0.000 2.078 443 M HA 0.379 4.858 4.480 -0.003 0.000 0.320 443 M C -1.755 174.743 176.300 0.330 0.000 0.969 443 M CA -0.174 55.174 55.300 0.081 0.000 0.929 443 M CB 0.972 33.600 32.600 0.046 0.000 1.504 443 M HN 0.578 nan 8.290 nan 0.000 0.419 444 W N 8.504 129.776 121.300 -0.047 0.000 2.471 444 W HA 0.496 5.155 4.660 -0.002 0.000 0.318 444 W C -0.398 176.114 176.519 -0.012 0.000 1.034 444 W CA -0.806 56.538 57.345 -0.003 0.000 1.224 444 W CB 1.130 30.599 29.460 0.014 0.000 1.335 444 W HN 0.857 nan 8.180 nan 0.000 0.452 445 L N 2.535 123.712 121.223 -0.077 0.000 6.889 445 L HA -0.474 3.864 4.340 -0.003 0.000 0.053 445 L C 1.363 178.232 176.870 -0.002 0.000 1.907 445 L CA 1.015 55.804 54.840 -0.084 0.000 1.578 445 L CB -1.140 40.890 42.059 -0.048 0.000 2.819 445 L HN 0.459 nan 8.230 nan 0.000 1.095 446 K N -0.215 120.198 120.400 0.021 0.000 2.116 446 K HA 0.248 4.566 4.320 -0.003 0.000 0.203 446 K C 0.840 177.449 176.600 0.015 0.000 1.052 446 K CA 1.060 57.374 56.287 0.046 0.000 0.952 446 K CB -0.125 32.428 32.500 0.089 0.000 0.729 446 K HN 0.245 nan 8.250 nan 0.000 0.446 447 I N 1.677 122.246 120.570 -0.002 0.000 3.466 447 I HA -0.116 4.053 4.170 -0.003 0.000 0.272 447 I C 0.361 176.438 176.117 -0.067 0.000 1.305 447 I CA 0.639 61.901 61.300 -0.064 0.000 1.307 447 I CB 0.150 38.166 38.000 0.027 0.000 1.365 447 I HN 0.186 nan 8.210 nan 0.000 0.629 448 T N 1.080 115.544 114.554 -0.149 0.000 3.176 448 T HA 0.459 4.807 4.350 -0.003 0.000 0.337 448 T C -0.571 173.945 174.700 -0.306 0.000 0.957 448 T CA -0.686 61.312 62.100 -0.171 0.000 1.092 448 T CB 0.216 69.001 68.868 -0.139 0.000 1.018 448 T HN 0.146 nan 8.240 nan 0.000 0.473 449 I N 5.835 126.146 120.570 -0.433 0.000 2.598 449 I HA 0.274 4.442 4.170 -0.003 0.000 0.284 449 I C -1.752 174.115 176.117 -0.416 0.000 1.140 449 I CA -2.220 58.670 61.300 -0.683 0.000 1.420 449 I CB 0.295 37.830 38.000 -0.776 0.000 1.387 449 I HN 0.423 nan 8.210 nan 0.000 0.553 450 P HA 0.081 nan 4.420 nan 0.000 0.281 450 P C -0.775 176.484 177.300 -0.067 0.000 1.252 450 P CA -0.278 62.747 63.100 -0.125 0.000 0.778 450 P CB 0.555 32.241 31.700 -0.024 0.000 0.895 451 N N 0.209 118.891 118.700 -0.029 0.000 2.652 451 N HA -0.176 4.562 4.740 -0.003 0.000 0.281 451 N C -0.190 175.377 175.510 0.096 0.000 1.084 451 N CA 1.214 54.293 53.050 0.048 0.000 0.775 451 N CB -1.301 37.256 38.487 0.117 0.000 0.923 451 N HN 0.642 nan 8.380 nan 0.000 0.558 452 A N 0.789 123.588 122.820 -0.034 0.000 2.380 452 A HA 0.895 5.213 4.320 -0.003 0.000 0.315 452 A C -0.247 177.318 177.584 -0.033 0.000 1.101 452 A CA -0.856 51.109 52.037 -0.120 0.000 0.771 452 A CB 1.287 20.026 19.000 -0.436 0.000 1.287 452 A HN 0.338 nan 8.150 nan 0.000 0.436 453 F N -0.275 119.570 119.950 -0.175 0.000 2.603 453 F HA 0.739 5.265 4.527 -0.003 0.000 0.317 453 F C -0.740 175.127 175.800 0.111 0.000 1.066 453 F CA -1.477 56.468 58.000 -0.092 0.000 0.941 453 F CB 1.168 40.083 39.000 -0.140 0.000 1.291 453 F HN 0.474 nan 8.300 nan 0.000 0.472 454 L N 2.327 123.697 121.223 0.245 0.000 2.397 454 L HA 0.518 4.856 4.340 -0.003 0.000 0.271 454 L C 1.317 178.137 176.870 -0.083 0.000 1.148 454 L CA 0.384 55.287 54.840 0.104 0.000 0.825 454 L CB 1.284 43.381 42.059 0.064 0.000 1.117 454 L HN 0.930 nan 8.230 nan 0.000 0.456 455 G N 2.066 110.704 108.800 -0.270 0.000 2.535 455 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.218 455 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.218 455 G C 1.087 175.871 174.900 -0.193 0.000 1.122 455 G CA 0.903 45.716 45.100 -0.478 0.000 0.769 455 G HN 0.721 nan 8.290 nan 0.000 0.549 456 S N 0.394 116.023 115.700 -0.118 0.000 2.341 456 S HA -0.031 4.437 4.470 -0.003 0.000 0.216 456 S C 1.897 176.499 174.600 0.004 0.000 1.034 456 S CA 0.563 58.732 58.200 -0.052 0.000 0.964 456 S CB -0.217 62.949 63.200 -0.057 0.000 0.882 456 S HN 0.302 nan 8.310 nan 0.000 0.469 457 D N 1.386 121.798 120.400 0.019 0.000 2.280 457 D HA -0.108 4.530 4.640 -0.003 0.000 0.206 457 D C 1.856 178.201 176.300 0.075 0.000 0.988 457 D CA 0.840 54.868 54.000 0.048 0.000 0.886 457 D CB -0.129 40.709 40.800 0.064 0.000 0.914 457 D HN 0.211 nan 8.370 nan 0.000 0.473 458 V N 0.462 120.419 119.914 0.071 0.000 2.379 458 V HA -0.181 3.937 4.120 -0.003 0.000 0.245 458 V C 2.684 178.843 176.094 0.109 0.000 1.044 458 V CA 0.925 63.271 62.300 0.077 0.000 1.036 458 V CB -0.522 31.329 31.823 0.047 0.000 0.664 458 V HN 0.048 nan 8.190 nan 0.000 0.453 459 V N 0.798 120.763 119.914 0.085 0.000 2.515 459 V HA -0.182 3.936 4.120 -0.003 0.000 0.250 459 V C 2.208 178.333 176.094 0.052 0.000 1.058 459 V CA 1.785 64.117 62.300 0.052 0.000 1.064 459 V CB -0.897 30.963 31.823 0.062 0.000 0.675 459 V HN 0.531 nan 8.190 nan 0.000 0.461 460 D N -0.314 120.126 120.400 0.066 0.000 2.088 460 D HA -0.247 4.391 4.640 -0.003 0.000 0.196 460 D C 1.748 178.102 176.300 0.090 0.000 0.983 460 D CA 1.616 55.649 54.000 0.056 0.000 0.846 460 D CB -0.777 40.023 40.800 -0.000 0.000 0.992 460 D HN 0.584 nan 8.370 nan 0.000 0.448 461 W N 1.425 122.639 121.300 -0.144 0.000 2.359 461 W HA -0.151 4.507 4.660 -0.003 0.000 0.275 461 W C 1.986 178.422 176.519 -0.138 0.000 1.217 461 W CA 0.957 58.137 57.345 -0.276 0.000 1.196 461 W CB -0.172 29.131 29.460 -0.261 0.000 1.129 461 W HN -0.069 nan 8.180 nan 0.000 0.566 462 L N -0.999 120.379 121.223 0.258 0.000 1.976 462 L HA -0.256 4.082 4.340 -0.003 0.000 0.209 462 L C 2.286 179.083 176.870 -0.122 0.000 1.071 462 L CA 1.693 56.592 54.840 0.097 0.000 0.746 462 L CB -1.119 40.912 42.059 -0.046 0.000 0.890 462 L HN 0.026 nan 8.230 nan 0.000 0.432 463 Y N -1.444 118.709 120.300 -0.245 0.000 2.523 463 Y HA -0.110 4.438 4.550 -0.003 0.000 0.279 463 Y C 2.542 178.426 175.900 -0.027 0.000 1.139 463 Y CA 0.758 58.760 58.100 -0.164 0.000 1.296 463 Y CB -0.163 38.203 38.460 -0.157 0.000 1.045 463 Y HN 0.211 nan 8.280 nan 0.000 0.538 464 H N -1.427 117.545 119.070 -0.163 0.000 2.372 464 H HA -0.050 4.504 4.556 -0.003 0.000 0.301 464 H C 0.889 176.168 175.328 -0.082 0.000 1.065 464 H CA 1.945 57.900 56.048 -0.154 0.000 1.364 464 H CB 0.123 29.784 29.762 -0.168 0.000 1.406 464 H HN 0.558 nan 8.280 nan 0.000 0.521 465 H N -1.068 117.627 119.070 -0.626 0.000 3.046 465 H HA 0.206 4.760 4.556 -0.003 0.000 0.262 465 H C -0.023 174.937 175.328 -0.614 0.000 1.044 465 H CA -0.204 55.357 56.048 -0.812 0.000 1.209 465 H CB 1.418 30.389 29.762 -1.318 0.000 1.507 465 H HN -0.021 nan 8.280 nan 0.000 0.507 466 V N 2.745 122.466 119.914 -0.321 0.000 2.350 466 V HA 0.120 4.238 4.120 -0.003 0.000 0.276 466 V C 0.069 176.186 176.094 0.039 0.000 1.028 466 V CA -0.522 61.731 62.300 -0.078 0.000 0.860 466 V CB 1.699 33.631 31.823 0.181 0.000 0.990 466 V HN 0.246 nan 8.190 nan 0.000 0.453 467 E N 2.744 122.896 120.200 -0.080 0.000 2.248 467 E HA 0.622 4.970 4.350 -0.003 0.000 0.272 467 E C 0.883 177.352 176.600 -0.219 0.000 1.008 467 E CA 0.183 56.514 56.400 -0.115 0.000 0.856 467 E CB 1.775 31.390 29.700 -0.142 0.000 1.120 467 E HN 0.968 nan 8.360 nan 0.000 0.397 468 G N 1.825 110.495 108.800 -0.216 0.000 2.164 468 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.154 468 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.154 468 G C -0.552 174.102 174.900 -0.410 0.000 1.014 468 G CA -0.730 44.171 45.100 -0.331 0.000 0.683 468 G HN 0.325 nan 8.290 nan 0.000 0.500 469 F N 0.460 120.438 119.950 0.047 0.000 2.427 469 F HA 0.551 5.077 4.527 -0.003 0.000 0.346 469 F C -0.971 175.034 175.800 0.341 0.000 1.120 469 F CA -2.297 55.821 58.000 0.197 0.000 1.033 469 F CB 2.152 41.388 39.000 0.394 0.000 1.126 469 F HN -0.179 nan 8.300 nan 0.000 0.462 470 P HA -0.030 nan 4.420 nan 0.000 0.216 470 P C -0.222 177.137 177.300 0.099 0.000 1.156 470 P CA 0.985 64.212 63.100 0.211 0.000 0.855 470 P CB 0.465 32.228 31.700 0.105 0.000 0.786 471 E N -2.396 117.743 120.200 -0.102 0.000 2.433 471 E HA 0.330 4.678 4.350 -0.003 0.000 0.273 471 E C 0.356 176.571 176.600 -0.642 0.000 0.950 471 E CA -0.746 55.411 56.400 -0.405 0.000 0.796 471 E CB 0.876 30.474 29.700 -0.171 0.000 1.330 471 E HN -0.370 nan 8.360 nan 0.000 0.455 472 R N 0.590 120.684 120.500 -0.677 0.000 2.328 472 R HA 0.036 4.374 4.340 -0.003 0.000 0.207 472 R C 1.752 177.923 176.300 -0.216 0.000 1.056 472 R CA 0.804 56.623 56.100 -0.467 0.000 1.016 472 R CB 0.070 30.200 30.300 -0.284 0.000 0.872 472 R HN 0.372 nan 8.270 nan 0.000 0.471 473 R N 0.210 120.616 120.500 -0.158 0.000 2.236 473 R HA -0.045 4.293 4.340 -0.003 0.000 0.208 473 R C 1.024 177.320 176.300 -0.008 0.000 1.036 473 R CA 0.879 56.946 56.100 -0.055 0.000 1.001 473 R CB 0.304 30.583 30.300 -0.034 0.000 0.896 473 R HN 0.169 nan 8.270 nan 0.000 0.464 474 E N -0.169 120.027 120.200 -0.007 0.000 2.216 474 E HA 0.017 4.365 4.350 -0.003 0.000 0.192 474 E C 1.645 178.304 176.600 0.098 0.000 0.973 474 E CA 0.713 57.199 56.400 0.143 0.000 0.851 474 E CB 0.358 30.228 29.700 0.283 0.000 0.804 474 E HN 0.365 nan 8.360 nan 0.000 0.477 475 A N 1.374 124.044 122.820 -0.250 0.000 2.015 475 A HA -0.111 4.207 4.320 -0.003 0.000 0.219 475 A C 2.119 179.571 177.584 -0.220 0.000 1.163 475 A CA 0.891 52.523 52.037 -0.674 0.000 0.646 475 A CB -0.242 18.440 19.000 -0.530 0.000 0.806 475 A HN -0.009 nan 8.150 nan 0.000 0.448 476 R N -0.219 120.242 120.500 -0.065 0.000 2.100 476 R HA 0.005 4.343 4.340 -0.003 0.000 0.220 476 R C 1.796 178.113 176.300 0.029 0.000 1.091 476 R CA 1.094 57.223 56.100 0.048 0.000 0.986 476 R CB -0.120 30.254 30.300 0.123 0.000 0.888 476 R HN 0.505 nan 8.270 nan 0.000 0.444 477 K N -0.738 119.706 120.400 0.072 0.000 2.147 477 K HA -0.193 4.126 4.320 -0.003 0.000 0.205 477 K C 1.834 178.481 176.600 0.078 0.000 1.049 477 K CA 1.367 57.707 56.287 0.087 0.000 0.936 477 K CB -0.208 32.370 32.500 0.130 0.000 0.722 477 K HN 0.163 nan 8.250 nan 0.000 0.446 478 Y N 1.442 121.752 120.300 0.016 0.000 2.184 478 Y HA -0.141 4.407 4.550 -0.003 0.000 0.290 478 Y C 2.339 178.171 175.900 -0.113 0.000 1.129 478 Y CA 1.113 59.248 58.100 0.058 0.000 1.144 478 Y CB -0.389 38.238 38.460 0.279 0.000 0.995 478 Y HN 0.025 nan 8.280 nan 0.000 0.513 479 A N -1.078 121.644 122.820 -0.163 0.000 1.917 479 A HA -0.251 4.067 4.320 -0.003 0.000 0.219 479 A C 2.491 179.522 177.584 -0.923 0.000 1.182 479 A CA 2.162 53.886 52.037 -0.523 0.000 0.633 479 A CB -1.371 17.257 19.000 -0.620 0.000 0.819 479 A HN 0.450 nan 8.150 nan 0.000 0.448 480 S N -1.011 114.134 115.700 -0.925 0.000 2.419 480 S HA -0.024 4.444 4.470 -0.003 0.000 0.233 480 S C 1.912 176.348 174.600 -0.274 0.000 1.016 480 S CA 1.240 59.081 58.200 -0.598 0.000 0.974 480 S CB -0.459 62.659 63.200 -0.137 0.000 0.786 480 S HN 0.771 nan 8.310 nan 0.000 0.492 481 G N 1.264 109.898 108.800 -0.275 0.000 2.408 481 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.217 481 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.217 481 G C 1.275 176.034 174.900 -0.235 0.000 1.150 481 G CA 0.448 45.410 45.100 -0.229 0.000 0.776 481 G HN 0.493 nan 8.290 nan 0.000 0.542 482 L N -0.362 120.678 121.223 -0.305 0.000 2.141 482 L HA 0.037 4.375 4.340 -0.003 0.000 0.209 482 L C 2.666 179.491 176.870 -0.074 0.000 1.094 482 L CA 0.294 55.021 54.840 -0.188 0.000 0.763 482 L CB -0.479 41.478 42.059 -0.169 0.000 0.908 482 L HN 0.180 nan 8.230 nan 0.000 0.437 483 L N 0.508 121.684 121.223 -0.078 0.000 2.072 483 L HA -0.172 4.166 4.340 -0.003 0.000 0.205 483 L C 2.595 179.496 176.870 0.052 0.000 1.079 483 L CA 1.761 56.639 54.840 0.064 0.000 0.752 483 L CB -0.510 41.661 42.059 0.186 0.000 0.906 483 L HN 0.129 nan 8.230 nan 0.000 0.436 484 K N -0.924 119.484 120.400 0.013 0.000 2.217 484 K HA -0.058 4.260 4.320 -0.003 0.000 0.202 484 K C 1.883 178.487 176.600 0.007 0.000 1.051 484 K CA 0.939 57.237 56.287 0.019 0.000 0.952 484 K CB -0.039 32.467 32.500 0.009 0.000 0.736 484 K HN 0.380 nan 8.250 nan 0.000 0.453 485 A N 0.269 123.079 122.820 -0.017 0.000 1.969 485 A HA 0.066 4.384 4.320 -0.003 0.000 0.218 485 A C 1.734 179.329 177.584 0.018 0.000 1.169 485 A CA 1.662 53.692 52.037 -0.012 0.000 0.635 485 A CB -0.538 18.434 19.000 -0.046 0.000 0.810 485 A HN 0.580 nan 8.150 nan 0.000 0.445 486 G N -1.610 107.211 108.800 0.034 0.000 2.254 486 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.225 486 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.225 486 G C 0.934 175.885 174.900 0.085 0.000 1.003 486 G CA 0.333 45.467 45.100 0.057 0.000 0.622 486 G HN 0.436 nan 8.290 nan 0.000 0.507 487 L N 0.272 121.546 121.223 0.085 0.000 2.263 487 L HA 0.107 4.446 4.340 -0.003 0.000 0.216 487 L C 0.713 177.702 176.870 0.198 0.000 1.111 487 L CA 0.899 55.824 54.840 0.142 0.000 0.773 487 L CB -0.151 41.981 42.059 0.122 0.000 0.906 487 L HN 0.238 nan 8.230 nan 0.000 0.439 488 I N -0.329 120.324 120.570 0.139 0.000 2.512 488 I HA 0.280 4.448 4.170 -0.003 0.000 0.287 488 I C -0.192 176.011 176.117 0.143 0.000 1.069 488 I CA -0.321 61.071 61.300 0.153 0.000 1.056 488 I CB 1.809 39.901 38.000 0.154 0.000 1.229 488 I HN 0.044 nan 8.210 nan 0.000 0.429 489 R N 3.650 124.210 120.500 0.100 0.000 2.474 489 R HA 0.383 4.721 4.340 -0.003 0.000 0.295 489 R C -0.173 176.055 176.300 -0.121 0.000 0.980 489 R CA -0.895 55.227 56.100 0.036 0.000 0.934 489 R CB 1.547 31.880 30.300 0.054 0.000 1.101 489 R HN 0.430 nan 8.270 nan 0.000 0.469 490 H N 1.679 120.604 119.070 -0.243 0.000 2.819 490 H HA 0.015 4.569 4.556 -0.003 0.000 0.303 490 H C 0.552 175.714 175.328 -0.276 0.000 1.058 490 H CA 0.438 56.196 56.048 -0.484 0.000 1.471 490 H CB 1.078 30.621 29.762 -0.366 0.000 1.480 490 H HN 0.579 nan 8.280 nan 0.000 0.517 491 T N 3.858 118.359 114.554 -0.088 0.000 2.624 491 T HA -0.137 4.211 4.350 -0.003 0.000 0.268 491 T C 0.738 175.568 174.700 0.217 0.000 1.041 491 T CA 1.953 64.118 62.100 0.107 0.000 1.159 491 T CB -0.122 68.728 68.868 -0.029 0.000 0.863 491 T HN 0.531 nan 8.240 nan 0.000 0.434 492 V N -0.053 119.975 119.914 0.190 0.000 2.540 492 V HA 0.585 4.703 4.120 -0.003 0.000 0.302 492 V C -0.839 175.150 176.094 -0.176 0.000 1.035 492 V CA -1.774 60.557 62.300 0.053 0.000 0.873 492 V CB 1.420 33.295 31.823 0.087 0.000 0.992 492 V HN 0.111 nan 8.190 nan 0.000 0.428 493 N N 3.358 121.981 118.700 -0.128 0.000 1.939 493 N HA 0.020 4.758 4.740 -0.003 0.000 0.301 493 N C -0.402 174.928 175.510 -0.300 0.000 1.353 493 N CA 1.022 53.967 53.050 -0.176 0.000 0.851 493 N CB -0.342 38.090 38.487 -0.092 0.000 1.153 493 N HN 0.916 nan 8.380 nan 0.000 0.496 494 K N 1.814 121.956 120.400 -0.429 0.000 2.557 494 K HA 0.235 4.553 4.320 -0.003 0.000 0.257 494 K C 0.186 176.668 176.600 -0.198 0.000 0.933 494 K CA -0.678 55.367 56.287 -0.404 0.000 0.820 494 K CB 1.039 33.103 32.500 -0.727 0.000 1.330 494 K HN 0.157 nan 8.250 nan 0.000 0.432 495 I N 2.203 122.729 120.570 -0.074 0.000 2.296 495 I HA -0.024 4.144 4.170 -0.003 0.000 0.242 495 I C 0.639 176.805 176.117 0.082 0.000 1.087 495 I CA 1.441 62.746 61.300 0.010 0.000 1.393 495 I CB 0.001 38.005 38.000 0.008 0.000 1.093 495 I HN 0.741 nan 8.210 nan 0.000 0.421 496 T N -0.598 114.003 114.554 0.078 0.000 2.919 496 T HA 0.139 4.487 4.350 -0.003 0.000 0.302 496 T C -0.136 174.700 174.700 0.227 0.000 1.031 496 T CA -0.473 61.706 62.100 0.131 0.000 1.127 496 T CB 0.219 69.134 68.868 0.078 0.000 0.952 496 T HN 0.196 nan 8.240 nan 0.000 0.540 497 F N 3.584 123.615 119.950 0.135 0.000 2.468 497 F HA 0.433 4.958 4.527 -0.003 0.000 0.356 497 F C 0.634 176.528 175.800 0.157 0.000 1.167 497 F CA -0.642 57.472 58.000 0.189 0.000 1.135 497 F CB -0.300 38.776 39.000 0.126 0.000 1.197 497 F HN 0.768 nan 8.300 nan 0.000 0.569 498 S N 3.724 119.239 115.700 -0.308 0.000 2.669 498 S HA 0.289 4.757 4.470 -0.003 0.000 0.270 498 S C 0.815 174.947 174.600 -0.780 0.000 1.225 498 S CA -0.379 57.590 58.200 -0.385 0.000 0.991 498 S CB 1.016 64.162 63.200 -0.089 0.000 0.987 498 S HN 0.820 nan 8.310 nan 0.000 0.552 499 E N -0.262 119.632 120.200 -0.510 0.000 2.514 499 E HA 0.053 4.401 4.350 -0.003 0.000 0.215 499 E C 0.368 176.802 176.600 -0.276 0.000 0.946 499 E CA 0.022 56.143 56.400 -0.465 0.000 1.038 499 E CB 0.417 29.930 29.700 -0.310 0.000 1.069 499 E HN 0.781 nan 8.360 nan 0.000 0.503 500 Q N 0.685 120.356 119.800 -0.215 0.000 2.225 500 Q HA 0.193 4.531 4.340 -0.003 0.000 0.259 500 Q C 0.025 175.883 176.000 -0.237 0.000 0.872 500 Q CA -0.276 55.411 55.803 -0.193 0.000 1.042 500 Q CB 0.007 28.669 28.738 -0.127 0.000 1.142 500 Q HN 0.118 nan 8.270 nan 0.000 0.463 501 C N -1.825 117.336 119.300 -0.232 0.000 2.797 501 C HA 0.697 5.155 4.460 -0.003 0.000 0.306 501 C C -0.425 174.436 174.990 -0.216 0.000 1.207 501 C CA -1.228 57.625 59.018 -0.275 0.000 1.507 501 C CB 0.314 28.012 27.740 -0.071 0.000 2.028 501 C HN 0.304 nan 8.230 nan 0.000 0.475 502 Y N 0.749 120.861 120.300 -0.313 0.000 2.357 502 Y HA 0.476 5.024 4.550 -0.003 0.000 0.340 502 Y C 0.346 176.062 175.900 -0.307 0.000 1.260 502 Y CA 0.160 58.059 58.100 -0.334 0.000 1.425 502 Y CB 0.222 38.380 38.460 -0.503 0.000 1.326 502 Y HN 0.736 nan 8.280 nan 0.000 0.580 503 Y N -0.801 119.086 120.300 -0.688 0.000 2.609 503 Y HA 0.636 5.184 4.550 -0.003 0.000 0.342 503 Y C -0.704 174.566 175.900 -1.051 0.000 1.058 503 Y CA -1.536 56.044 58.100 -0.866 0.000 1.055 503 Y CB 2.174 40.047 38.460 -0.978 0.000 1.292 503 Y HN 0.328 nan 8.280 nan 0.000 0.476 504 V N -1.456 118.255 119.914 -0.338 0.000 2.925 504 V HA 0.571 4.689 4.120 -0.003 0.000 0.311 504 V C -0.810 175.401 176.094 0.195 0.000 1.104 504 V CA -1.321 60.997 62.300 0.030 0.000 0.954 504 V CB 1.504 33.386 31.823 0.099 0.000 1.022 504 V HN 0.583 nan 8.190 nan 0.000 0.427 505 F N 2.113 122.284 119.950 0.368 0.000 2.535 505 F HA 0.607 5.133 4.527 -0.003 0.000 0.332 505 F C 1.513 177.393 175.800 0.132 0.000 1.208 505 F CA 1.804 59.941 58.000 0.228 0.000 1.330 505 F CB 0.602 39.672 39.000 0.116 0.000 1.167 505 F HN 0.945 nan 8.300 nan 0.000 0.597 506 G N -0.329 108.681 108.800 0.349 0.000 2.828 506 G HA2 0.246 4.204 3.960 -0.003 0.000 0.244 506 G HA3 0.246 4.204 3.960 -0.003 0.000 0.244 506 G C -1.453 173.536 174.900 0.149 0.000 1.365 506 G CA -0.547 44.669 45.100 0.193 0.000 1.041 506 G HN 0.482 nan 8.290 nan 0.000 0.560 507 D N 0.194 120.650 120.400 0.094 0.000 2.359 507 D HA 0.160 4.798 4.640 -0.003 0.000 0.250 507 D C 1.466 177.800 176.300 0.057 0.000 1.264 507 D CA -0.102 53.935 54.000 0.062 0.000 0.911 507 D CB 0.302 41.129 40.800 0.045 0.000 1.056 507 D HN 0.160 nan 8.370 nan 0.000 0.499 508 L N 1.894 123.139 121.223 0.036 0.000 2.492 508 L HA 0.047 4.385 4.340 -0.003 0.000 0.223 508 L C 1.547 178.422 176.870 0.009 0.000 1.132 508 L CA 0.002 54.849 54.840 0.013 0.000 0.850 508 L CB -0.261 41.763 42.059 -0.058 0.000 0.966 508 L HN 0.251 nan 8.230 nan 0.000 0.454 509 S N -0.479 115.230 115.700 0.015 0.000 2.598 509 S HA 0.449 4.917 4.470 -0.003 0.000 0.267 509 S C 0.741 175.357 174.600 0.027 0.000 1.189 509 S CA -0.124 58.088 58.200 0.020 0.000 1.010 509 S CB 0.740 63.958 63.200 0.029 0.000 1.084 509 S HN 0.224 nan 8.310 nan 0.000 0.541 1156 P HA 0.223 nan 4.420 nan 0.000 0.261 1156 P C -2.097 175.229 177.300 0.044 0.000 1.203 1156 P CA -0.253 62.866 63.100 0.032 0.000 0.767 1156 P CB 0.317 32.029 31.700 0.020 0.000 0.785 1157 P HA 0.115 nan 4.420 nan 0.000 0.270 1157 P C 0.096 177.367 177.300 -0.047 0.000 1.223 1157 P CA 0.053 63.145 63.100 -0.015 0.000 0.785 1157 P CB 0.337 31.968 31.700 -0.116 0.000 0.923 1158 Y N -0.074 120.071 120.300 -0.257 0.000 2.370 1158 Y HA 0.296 4.844 4.550 -0.003 0.000 0.377 1158 Y C 1.099 176.712 175.900 -0.479 0.000 1.371 1158 Y CA 0.038 58.004 58.100 -0.223 0.000 1.756 1158 Y CB 0.770 39.149 38.460 -0.136 0.000 1.693 1158 Y HN 0.350 nan 8.280 nan 0.000 0.595 1159 H N -0.310 118.847 119.070 0.145 0.000 3.094 1159 H HA 0.094 4.649 4.556 -0.003 0.000 0.346 1159 H C -1.561 173.813 175.328 0.077 0.000 1.238 1159 H CA -0.998 55.091 56.048 0.068 0.000 1.209 1159 H CB 1.659 31.425 29.762 0.006 0.000 1.911 1159 H HN 0.570 nan 8.280 nan 0.000 0.540 1160 E N 1.960 122.281 120.200 0.201 0.000 2.376 1160 E HA 0.116 4.464 4.350 -0.003 0.000 0.266 1160 E C -0.435 176.235 176.600 0.115 0.000 1.009 1160 E CA -0.589 55.894 56.400 0.139 0.000 0.902 1160 E CB 0.546 30.311 29.700 0.109 0.000 0.972 1160 E HN 0.269 nan 8.360 nan 0.000 0.439 1161 L N 5.331 126.613 121.223 0.099 0.000 2.433 1161 L HA 0.162 4.500 4.340 -0.003 0.000 0.275 1161 L C -0.654 176.259 176.870 0.072 0.000 1.128 1161 L CA 0.704 55.587 54.840 0.072 0.000 0.875 1161 L CB 0.093 42.192 42.059 0.066 0.000 1.171 1161 L HN 0.593 nan 8.230 nan 0.000 0.463 1162 E N 3.818 124.053 120.200 0.060 0.000 2.334 1162 E HA 0.219 4.567 4.350 -0.003 0.000 0.256 1162 E C -1.128 175.536 176.600 0.107 0.000 0.958 1162 E CA -0.887 55.564 56.400 0.086 0.000 0.821 1162 E CB 1.130 30.871 29.700 0.069 0.000 1.269 1162 E HN 0.487 nan 8.360 nan 0.000 0.413 1163 F N 1.634 121.585 119.950 0.001 0.000 2.652 1163 F HA 0.311 4.836 4.527 -0.003 0.000 0.352 1163 F C 0.736 176.531 175.800 -0.009 0.000 1.259 1163 F CA 0.287 58.286 58.000 -0.002 0.000 1.249 1163 F CB -0.600 38.399 39.000 -0.001 0.000 1.628 1163 F HN 0.667 nan 8.300 nan 0.000 0.654 1164 G N 3.112 111.740 108.800 -0.286 0.000 2.370 1164 G HA2 0.114 4.072 3.960 -0.003 0.000 0.295 1164 G HA3 0.114 4.072 3.960 -0.003 0.000 0.295 1164 G C 0.049 174.895 174.900 -0.089 0.000 1.045 1164 G CA -0.015 44.940 45.100 -0.242 0.000 1.199 1164 G HN 1.349 nan 8.290 nan 0.000 0.513 1165 G N -1.540 107.227 108.800 -0.056 0.000 2.673 1165 G HA2 0.695 4.653 3.960 -0.003 0.000 0.292 1165 G HA3 0.695 4.653 3.960 -0.003 0.000 0.292 1165 G C -0.411 174.458 174.900 -0.051 0.000 1.450 1165 G CA 0.471 45.554 45.100 -0.029 0.000 0.837 1165 G HN 1.428 nan 8.290 nan 0.000 0.505 1166 S N 0.209 115.871 115.700 -0.063 0.000 2.642 1166 S HA 0.548 5.016 4.470 -0.003 0.000 0.309 1166 S C 0.932 175.521 174.600 -0.019 0.000 1.125 1166 S CA 0.129 58.264 58.200 -0.108 0.000 1.055 1166 S CB -0.563 62.548 63.200 -0.148 0.000 1.157 1166 S HN 1.235 nan 8.310 nan 0.000 0.513 1167 G N 3.057 111.878 108.800 0.035 0.000 2.483 1167 G HA2 0.466 4.424 3.960 -0.003 0.000 0.248 1167 G HA3 0.466 4.424 3.960 -0.003 0.000 0.248 1167 G C 0.571 175.572 174.900 0.168 0.000 1.248 1167 G CA -0.335 44.822 45.100 0.095 0.000 0.838 1167 G HN 0.910 nan 8.290 nan 0.000 0.566 1168 G N 0.825 109.697 108.800 0.119 0.000 2.391 1168 G HA2 0.325 4.283 3.960 -0.003 0.000 0.234 1168 G HA3 0.325 4.283 3.960 -0.003 0.000 0.234 1168 G C 0.713 175.677 174.900 0.107 0.000 1.284 1168 G CA 0.027 45.193 45.100 0.109 0.000 0.873 1168 G HN 0.741 nan 8.290 nan 0.000 0.549 1169 S N 0.330 116.059 115.700 0.049 0.000 2.550 1169 S HA -0.016 4.452 4.470 -0.003 0.000 0.285 1169 S C 1.090 175.643 174.600 -0.078 0.000 1.326 1169 S CA -0.024 58.096 58.200 -0.133 0.000 1.037 1169 S CB 0.377 63.471 63.200 -0.176 0.000 0.838 1169 S HN 0.692 nan 8.310 nan 0.000 0.519 1170 R N 1.835 122.282 120.500 -0.087 0.000 2.590 1170 R HA 0.105 4.443 4.340 -0.003 0.000 0.274 1170 R C -0.721 175.576 176.300 -0.005 0.000 1.061 1170 R CA 0.223 56.305 56.100 -0.030 0.000 1.081 1170 R CB 0.145 30.407 30.300 -0.064 0.000 0.984 1170 R HN 0.552 nan 8.270 nan 0.000 0.448 1171 N N 3.529 122.258 118.700 0.049 0.000 2.824 1171 N HA 0.073 4.811 4.740 -0.003 0.000 0.224 1171 N C -1.763 173.805 175.510 0.098 0.000 1.418 1171 N CA -0.429 52.697 53.050 0.128 0.000 0.743 1171 N CB 1.158 39.785 38.487 0.234 0.000 1.395 1171 N HN 0.734 nan 8.380 nan 0.000 0.548 1172 E N 0.183 120.432 120.200 0.081 0.000 2.410 1172 E HA 0.780 5.128 4.350 -0.003 0.000 0.269 1172 E C -0.975 175.616 176.600 -0.016 0.000 0.937 1172 E CA -0.984 55.415 56.400 -0.001 0.000 0.793 1172 E CB 1.969 31.668 29.700 -0.002 0.000 1.314 1172 E HN 0.061 nan 8.360 nan 0.000 0.447 1173 L N -2.097 119.013 121.223 -0.189 0.000 2.469 1173 L HA 0.673 5.011 4.340 -0.003 0.000 0.256 1173 L C -1.386 175.268 176.870 -0.361 0.000 1.006 1173 L CA -0.968 53.766 54.840 -0.176 0.000 0.832 1173 L CB 0.872 42.892 42.059 -0.064 0.000 1.421 1173 L HN 0.623 nan 8.230 nan 0.000 0.410 1174 F N 1.417 121.407 119.950 0.066 0.000 2.507 1174 F HA 0.757 5.282 4.527 -0.003 0.000 0.325 1174 F C -0.460 175.323 175.800 -0.028 0.000 1.116 1174 F CA -0.596 57.445 58.000 0.067 0.000 0.930 1174 F CB 2.083 41.097 39.000 0.024 0.000 1.146 1174 F HN 0.288 nan 8.300 nan 0.000 0.447 1175 L N 3.911 125.232 121.223 0.163 0.000 2.325 1175 L HA 0.500 4.838 4.340 -0.003 0.000 0.281 1175 L C -1.141 175.773 176.870 0.073 0.000 1.004 1175 L CA -0.652 54.213 54.840 0.042 0.000 0.823 1175 L CB 1.610 43.656 42.059 -0.021 0.000 1.236 1175 L HN 0.532 nan 8.230 nan 0.000 0.415 1176 D N 3.176 123.604 120.400 0.046 0.000 2.502 1176 D HA 0.353 4.991 4.640 -0.003 0.000 0.249 1176 D C -0.682 175.685 176.300 0.113 0.000 1.092 1176 D CA -0.244 53.801 54.000 0.075 0.000 0.839 1176 D CB 3.293 44.113 40.800 0.033 0.000 1.264 1176 D HN 0.066 nan 8.370 nan 0.000 0.511 1177 V N 3.298 123.337 119.914 0.208 0.000 2.311 1177 V HA 0.328 4.447 4.120 -0.003 0.000 0.275 1177 V C 0.190 176.401 176.094 0.194 0.000 1.022 1177 V CA -0.641 61.801 62.300 0.235 0.000 0.830 1177 V CB 0.936 32.958 31.823 0.332 0.000 1.012 1177 V HN 0.340 nan 8.190 nan 0.000 0.452 1178 L N 5.384 126.700 121.223 0.155 0.000 2.301 1178 L HA 0.582 4.920 4.340 -0.003 0.000 0.278 1178 L C 0.176 177.091 176.870 0.076 0.000 1.022 1178 L CA -0.114 54.785 54.840 0.099 0.000 0.854 1178 L CB 1.049 43.146 42.059 0.064 0.000 1.226 1178 L HN 0.631 nan 8.230 nan 0.000 0.429 1179 E N 1.479 121.707 120.200 0.047 0.000 2.235 1179 E HA 0.591 4.939 4.350 -0.003 0.000 0.265 1179 E C -0.897 175.687 176.600 -0.026 0.000 0.940 1179 E CA -0.773 55.616 56.400 -0.018 0.000 0.819 1179 E CB 2.465 32.158 29.700 -0.011 0.000 1.206 1179 E HN 0.302 nan 8.360 nan 0.000 0.409 1180 S N 1.018 116.678 115.700 -0.067 0.000 2.707 1180 S HA 0.291 4.759 4.470 -0.003 0.000 0.303 1180 S C -0.697 173.856 174.600 -0.078 0.000 1.132 1180 S CA -0.672 57.496 58.200 -0.053 0.000 1.046 1180 S CB 1.161 64.316 63.200 -0.076 0.000 1.004 1180 S HN 0.258 nan 8.310 nan 0.000 0.483 1181 V N 4.583 124.515 119.914 0.030 0.000 2.546 1181 V HA 0.486 4.604 4.120 -0.003 0.000 0.284 1181 V C -0.027 176.090 176.094 0.039 0.000 1.050 1181 V CA -0.735 61.603 62.300 0.064 0.000 0.981 1181 V CB 0.952 32.958 31.823 0.305 0.000 0.990 1181 V HN 0.749 nan 8.190 nan 0.000 0.474 1182 N N 3.881 122.513 118.700 -0.112 0.000 2.399 1182 N HA 0.668 5.406 4.740 -0.003 0.000 0.284 1182 N C -1.134 174.308 175.510 -0.113 0.000 1.025 1182 N CA -0.365 52.623 53.050 -0.105 0.000 0.885 1182 N CB 2.765 41.160 38.487 -0.152 0.000 1.339 1182 N HN 0.586 nan 8.380 nan 0.000 0.487 1183 L N 1.463 122.539 121.223 -0.246 0.000 2.303 1183 L HA 0.676 5.014 4.340 -0.003 0.000 0.256 1183 L C -1.450 175.287 176.870 -0.221 0.000 1.034 1183 L CA -0.696 53.965 54.840 -0.300 0.000 0.832 1183 L CB 2.508 44.191 42.059 -0.626 0.000 1.403 1183 L HN 0.504 nan 8.230 nan 0.000 0.419 1184 L N 3.425 124.559 121.223 -0.149 0.000 2.392 1184 L HA 0.383 4.722 4.340 -0.003 0.000 0.262 1184 L C -0.936 175.894 176.870 -0.067 0.000 1.498 1184 L CA -0.098 54.689 54.840 -0.089 0.000 0.820 1184 L CB 0.825 42.853 42.059 -0.052 0.000 0.990 1184 L HN 0.768 nan 8.230 nan 0.000 0.520 1185 M N 1.252 120.809 119.600 -0.072 0.000 2.241 1185 M HA 0.269 4.747 4.480 -0.003 0.000 0.335 1185 M C 0.614 176.906 176.300 -0.012 0.000 1.122 1185 M CA 0.414 55.694 55.300 -0.033 0.000 1.164 1185 M CB 1.417 34.007 32.600 -0.016 0.000 1.459 1185 M HN 0.587 nan 8.290 nan 0.000 0.461 1186 S N 3.252 118.950 115.700 -0.003 0.000 2.669 1186 S HA 0.436 4.904 4.470 -0.003 0.000 0.270 1186 S C -2.057 172.551 174.600 0.013 0.000 1.225 1186 S CA -1.225 56.975 58.200 0.001 0.000 0.991 1186 S CB 0.954 64.153 63.200 -0.001 0.000 0.987 1186 S HN 0.610 nan 8.310 nan 0.000 0.552 1187 P HA -0.121 nan 4.420 nan 0.000 0.218 1187 P C 0.752 178.069 177.300 0.028 0.000 1.150 1187 P CA 1.339 64.453 63.100 0.023 0.000 0.841 1187 P CB 0.053 31.763 31.700 0.018 0.000 0.784 1188 Q N -2.591 117.222 119.800 0.022 0.000 2.282 1188 Q HA 0.304 4.642 4.340 -0.003 0.000 0.206 1188 Q C 1.464 177.480 176.000 0.026 0.000 0.878 1188 Q CA 0.798 56.615 55.803 0.024 0.000 0.944 1188 Q CB 0.341 29.090 28.738 0.018 0.000 1.100 1188 Q HN 0.309 nan 8.270 nan 0.000 0.509 1189 G N 0.580 109.396 108.800 0.027 0.000 2.253 1189 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.209 1189 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.209 1189 G C 0.086 174.997 174.900 0.018 0.000 0.997 1189 G CA -0.561 44.556 45.100 0.029 0.000 0.640 1189 G HN 0.219 nan 8.290 nan 0.000 0.496 1190 Q N 1.626 121.433 119.800 0.012 0.000 2.282 1190 Q HA 0.305 4.643 4.340 -0.003 0.000 0.276 1190 Q C 0.739 176.739 176.000 -0.000 0.000 1.198 1190 Q CA 0.257 56.063 55.803 0.006 0.000 0.943 1190 Q CB 0.579 29.319 28.738 0.003 0.000 1.275 1190 Q HN 0.409 nan 8.270 nan 0.000 0.424 1191 V N 5.338 125.251 119.914 -0.001 0.000 2.529 1191 V HA -0.051 4.067 4.120 -0.003 0.000 0.292 1191 V C 1.569 177.655 176.094 -0.013 0.000 1.028 1191 V CA 0.361 62.655 62.300 -0.011 0.000 1.074 1191 V CB 0.004 31.823 31.823 -0.007 0.000 0.958 1191 V HN 0.664 nan 8.190 nan 0.000 0.481 1192 L N 3.135 124.346 121.223 -0.021 0.000 2.471 1192 L HA 0.248 4.586 4.340 -0.003 0.000 0.186 1192 L C 1.377 178.235 176.870 -0.019 0.000 1.191 1192 L CA 0.448 55.277 54.840 -0.019 0.000 0.835 1192 L CB -0.351 41.694 42.059 -0.022 0.000 1.092 1192 L HN 0.610 nan 8.230 nan 0.000 0.495 1193 S N -0.404 115.282 115.700 -0.024 0.000 2.632 1193 S HA 0.730 5.198 4.470 -0.003 0.000 0.271 1193 S C -0.573 174.027 174.600 0.000 0.000 1.260 1193 S CA -0.027 58.166 58.200 -0.011 0.000 1.010 1193 S CB 1.286 64.481 63.200 -0.009 0.000 0.965 1193 S HN 0.374 nan 8.310 nan 0.000 0.534 1194 A N 3.128 125.979 122.820 0.051 0.000 2.540 1194 A HA 0.553 4.871 4.320 -0.003 0.000 0.315 1194 A C -1.001 176.682 177.584 0.164 0.000 1.037 1194 A CA -0.665 51.412 52.037 0.068 0.000 0.940 1194 A CB 0.265 19.279 19.000 0.023 0.000 1.262 1194 A HN 1.314 nan 8.150 nan 0.000 0.377 1195 H N -0.295 118.760 119.070 -0.026 0.000 3.043 1195 H HA 0.624 5.179 4.556 -0.003 0.000 0.317 1195 H C -2.409 172.903 175.328 -0.025 0.000 1.321 1195 H CA -0.657 55.376 56.048 -0.026 0.000 1.243 1195 H CB 0.674 30.414 29.762 -0.036 0.000 1.924 1195 H HN 0.758 nan 8.280 nan 0.000 0.527 1196 V N 1.795 121.607 119.914 -0.170 0.000 2.495 1196 V HA 0.373 4.491 4.120 -0.003 0.000 0.298 1196 V C 0.211 176.142 176.094 -0.271 0.000 1.031 1196 V CA -0.617 61.533 62.300 -0.250 0.000 0.871 1196 V CB 1.551 33.295 31.823 -0.132 0.000 0.988 1196 V HN 0.789 nan 8.190 nan 0.000 0.432 1197 S N 3.113 118.636 115.700 -0.294 0.000 2.520 1197 S HA 0.734 5.202 4.470 -0.003 0.000 0.324 1197 S C 0.213 174.633 174.600 -0.300 0.000 1.069 1197 S CA -0.199 57.855 58.200 -0.242 0.000 1.121 1197 S CB 0.488 63.610 63.200 -0.129 0.000 0.971 1197 S HN 1.055 nan 8.310 nan 0.000 0.463 1198 G N 2.819 111.272 108.800 -0.578 0.000 2.644 1198 G HA2 0.843 4.801 3.960 -0.003 0.000 0.307 1198 G HA3 0.843 4.801 3.960 -0.003 0.000 0.307 1198 G C -1.233 173.635 174.900 -0.054 0.000 1.250 1198 G CA -0.998 43.805 45.100 -0.496 0.000 0.996 1198 G HN 0.756 nan 8.290 nan 0.000 0.489 1199 R N -1.435 119.287 120.500 0.369 0.000 2.604 1199 R HA 0.519 4.857 4.340 -0.003 0.000 0.261 1199 R C -2.238 174.217 176.300 0.258 0.000 1.080 1199 R CA -0.799 55.499 56.100 0.329 0.000 0.917 1199 R CB 1.611 31.994 30.300 0.137 0.000 1.252 1199 R HN 0.349 nan 8.270 nan 0.000 0.456 1200 V N 3.015 123.016 119.914 0.146 0.000 2.328 1200 V HA 0.313 4.431 4.120 -0.003 0.000 0.278 1200 V C -0.043 176.080 176.094 0.048 0.000 1.021 1200 V CA -0.625 61.717 62.300 0.068 0.000 0.838 1200 V CB 1.512 33.333 31.823 -0.003 0.000 0.999 1200 V HN 0.550 nan 8.190 nan 0.000 0.447 1201 V N 6.217 126.146 119.914 0.026 0.000 2.716 1201 V HA 0.594 4.712 4.120 -0.003 0.000 0.304 1201 V C -0.003 176.025 176.094 -0.111 0.000 1.053 1201 V CA -0.554 61.734 62.300 -0.021 0.000 0.984 1201 V CB 1.807 33.616 31.823 -0.023 0.000 1.021 1201 V HN 0.891 nan 8.190 nan 0.000 0.467 1202 M N 3.502 122.928 119.600 -0.290 0.000 2.324 1202 M HA 0.519 4.997 4.480 -0.003 0.000 0.288 1202 M C -1.577 174.382 176.300 -0.568 0.000 1.097 1202 M CA -0.595 54.464 55.300 -0.401 0.000 0.928 1202 M CB 1.904 34.255 32.600 -0.415 0.000 1.648 1202 M HN 0.514 nan 8.290 nan 0.000 0.460 1203 K N 2.881 123.113 120.400 -0.279 0.000 2.263 1203 K HA 0.387 4.705 4.320 -0.003 0.000 0.272 1203 K C -0.837 175.576 176.600 -0.312 0.000 1.033 1203 K CA -0.341 55.763 56.287 -0.305 0.000 0.884 1203 K CB 1.826 34.280 32.500 -0.078 0.000 1.107 1203 K HN 0.646 nan 8.250 nan 0.000 0.460 1204 S N 3.184 118.623 115.700 -0.434 0.000 2.437 1204 S HA 0.387 4.855 4.470 -0.003 0.000 0.305 1204 S C -1.127 173.280 174.600 -0.323 0.000 1.109 1204 S CA -0.548 57.503 58.200 -0.248 0.000 1.099 1204 S CB 0.324 63.490 63.200 -0.057 0.000 1.004 1204 S HN 0.499 nan 8.310 nan 0.000 0.475 1205 Y N 5.073 125.398 120.300 0.041 0.000 2.473 1205 Y HA 0.438 4.986 4.550 -0.003 0.000 0.345 1205 Y C -0.497 175.428 175.900 0.042 0.000 0.932 1205 Y CA -0.621 57.500 58.100 0.035 0.000 1.124 1205 Y CB 0.397 38.875 38.460 0.030 0.000 1.162 1205 Y HN 0.482 nan 8.280 nan 0.000 0.629 1206 L N 0.575 121.904 121.223 0.177 0.000 2.329 1206 L HA 0.550 4.888 4.340 -0.003 0.000 0.279 1206 L C 0.153 177.126 176.870 0.172 0.000 1.014 1206 L CA -0.888 54.065 54.840 0.188 0.000 0.814 1206 L CB 1.833 43.966 42.059 0.123 0.000 1.257 1206 L HN 0.108 nan 8.230 nan 0.000 0.424 1207 S N 1.906 117.714 115.700 0.179 0.000 2.481 1207 S HA 0.581 5.049 4.470 -0.003 0.000 0.276 1207 S C 0.734 175.392 174.600 0.098 0.000 1.247 1207 S CA 0.271 58.508 58.200 0.062 0.000 1.053 1207 S CB 1.114 64.242 63.200 -0.121 0.000 0.925 1207 S HN 1.052 nan 8.310 nan 0.000 0.491 1208 G N 3.128 111.963 108.800 0.057 0.000 2.554 1208 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.253 1208 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.253 1208 G C -0.244 174.682 174.900 0.044 0.000 1.172 1208 G CA -0.035 45.092 45.100 0.046 0.000 0.950 1208 G HN 0.632 nan 8.290 nan 0.000 0.557 1209 M N 2.557 122.176 119.600 0.030 0.000 3.269 1209 M HA 0.284 4.762 4.480 -0.003 0.000 0.340 1209 M C -2.667 173.615 176.300 -0.031 0.000 1.662 1209 M CA -1.072 54.229 55.300 0.002 0.000 0.547 1209 M CB 2.227 34.830 32.600 0.005 0.000 1.449 1209 M HN 0.401 nan 8.290 nan 0.000 0.459 1210 P HA 0.033 nan 4.420 nan 0.000 0.271 1210 P C -0.820 176.398 177.300 -0.138 0.000 1.216 1210 P CA 0.251 63.270 63.100 -0.135 0.000 0.776 1210 P CB 0.757 32.324 31.700 -0.221 0.000 0.881 1211 E N 1.990 122.144 120.200 -0.077 0.000 2.289 1211 E HA 0.289 4.638 4.350 -0.003 0.000 0.278 1211 E C -0.989 175.557 176.600 -0.090 0.000 1.032 1211 E CA -0.485 55.884 56.400 -0.052 0.000 0.854 1211 E CB 0.300 30.051 29.700 0.086 0.000 1.046 1211 E HN 0.431 nan 8.360 nan 0.000 0.409 1212 C N 4.172 123.325 119.300 -0.245 0.000 2.561 1212 C HA 0.540 4.998 4.460 -0.003 0.000 0.319 1212 C C -0.488 174.559 174.990 0.095 0.000 1.198 1212 C CA -0.854 58.048 59.018 -0.193 0.000 1.665 1212 C CB 1.224 28.653 27.740 -0.518 0.000 2.258 1212 C HN 0.732 nan 8.230 nan 0.000 0.493 1213 K N 1.891 122.457 120.400 0.276 0.000 2.559 1213 K HA 0.456 4.774 4.320 -0.003 0.000 0.249 1213 K C -1.569 175.330 176.600 0.499 0.000 0.958 1213 K CA -0.300 56.221 56.287 0.389 0.000 0.901 1213 K CB 0.849 33.528 32.500 0.298 0.000 1.124 1213 K HN 0.630 nan 8.250 nan 0.000 0.437 1214 F N 2.620 122.735 119.950 0.276 0.000 2.404 1214 F HA 0.623 5.148 4.527 -0.003 0.000 0.345 1214 F C -0.099 175.569 175.800 -0.219 0.000 1.110 1214 F CA -0.747 57.283 58.000 0.051 0.000 1.130 1214 F CB 1.401 40.423 39.000 0.036 0.000 1.129 1214 F HN 0.533 nan 8.300 nan 0.000 0.500 1215 G N 7.894 116.055 108.800 -1.065 0.000 2.638 1215 G HA2 0.634 4.592 3.960 -0.003 0.000 0.302 1215 G HA3 0.634 4.592 3.960 -0.003 0.000 0.302 1215 G C -1.252 172.988 174.900 -1.099 0.000 1.365 1215 G CA -0.935 43.377 45.100 -1.312 0.000 0.987 1215 G HN 0.800 nan 8.290 nan 0.000 0.495 1216 M N 0.619 119.779 119.600 -0.733 0.000 2.970 1216 M HA 0.777 5.255 4.480 -0.003 0.000 0.284 1216 M C -1.364 174.809 176.300 -0.212 0.000 1.254 1216 M CA -0.918 54.136 55.300 -0.410 0.000 0.744 1216 M CB 1.880 34.248 32.600 -0.386 0.000 1.758 1216 M HN 0.600 nan 8.290 nan 0.000 0.428 1246 C N -0.184 119.112 119.300 -0.006 0.000 3.068 1246 C HA 0.696 5.154 4.460 -0.003 0.000 0.344 1246 C C -1.145 173.706 174.990 -0.231 0.000 1.223 1246 C CA 0.348 59.297 59.018 -0.115 0.000 1.153 1246 C CB 0.864 28.500 27.740 -0.174 0.000 1.396 1246 C HN 1.015 nan 8.230 nan 0.000 0.485 1247 T N 0.993 115.333 114.554 -0.357 0.000 2.938 1247 T HA 0.900 5.248 4.350 -0.003 0.000 0.285 1247 T C -0.916 173.387 174.700 -0.662 0.000 1.028 1247 T CA -0.491 61.434 62.100 -0.292 0.000 1.005 1247 T CB 1.424 70.219 68.868 -0.121 0.000 1.157 1247 T HN 0.739 nan 8.240 nan 0.000 0.550 1248 F N -0.661 119.285 119.950 -0.007 0.000 2.608 1248 F HA 0.333 4.858 4.527 -0.003 0.000 0.309 1248 F C 0.212 176.000 175.800 -0.019 0.000 1.103 1248 F CA -1.220 56.772 58.000 -0.013 0.000 0.954 1248 F CB 1.543 40.524 39.000 -0.030 0.000 1.267 1248 F HN 0.676 nan 8.300 nan 0.000 0.444 1249 H N 2.797 121.928 119.070 0.100 0.000 3.001 1249 H HA -0.000 4.554 4.556 -0.003 0.000 0.334 1249 H C 0.892 176.210 175.328 -0.015 0.000 1.034 1249 H CA 0.562 56.602 56.048 -0.013 0.000 1.420 1249 H CB 1.373 31.034 29.762 -0.169 0.000 1.405 1249 H HN 0.812 nan 8.280 nan 0.000 0.593 1250 Q N 3.477 123.343 119.800 0.110 0.000 2.103 1250 Q HA -0.272 4.066 4.340 -0.003 0.000 0.213 1250 Q C 2.372 178.450 176.000 0.130 0.000 1.008 1250 Q CA 2.479 58.352 55.803 0.117 0.000 0.879 1250 Q CB -1.329 27.457 28.738 0.081 0.000 0.946 1250 Q HN 0.723 nan 8.270 nan 0.000 0.413 1251 C N -0.259 119.142 119.300 0.168 0.000 2.434 1251 C HA 0.226 4.684 4.460 -0.003 0.000 0.298 1251 C C 1.078 176.130 174.990 0.103 0.000 1.495 1251 C CA -0.836 58.221 59.018 0.065 0.000 1.756 1251 C CB -1.290 26.417 27.740 -0.055 0.000 1.647 1251 C HN 0.409 nan 8.230 nan 0.000 0.579 1252 V N 3.896 123.854 119.914 0.074 0.000 2.432 1252 V HA 0.316 4.434 4.120 -0.003 0.000 0.271 1252 V C 0.372 176.444 176.094 -0.036 0.000 1.046 1252 V CA -0.202 62.111 62.300 0.022 0.000 0.945 1252 V CB 0.363 32.140 31.823 -0.076 0.000 0.992 1252 V HN 0.470 nan 8.190 nan 0.000 0.471 1253 R N 6.305 126.788 120.500 -0.028 0.000 2.370 1253 R HA 0.217 4.555 4.340 -0.003 0.000 0.309 1253 R C -0.455 175.745 176.300 -0.167 0.000 1.059 1253 R CA -0.267 55.770 56.100 -0.105 0.000 0.981 1253 R CB 0.170 30.403 30.300 -0.111 0.000 0.972 1253 R HN 0.595 nan 8.270 nan 0.000 0.437 1254 L N 2.345 123.465 121.223 -0.173 0.000 2.654 1254 L HA -0.022 4.317 4.340 -0.003 0.000 0.271 1254 L C 0.971 177.729 176.870 -0.186 0.000 1.169 1254 L CA 0.782 55.509 54.840 -0.188 0.000 0.947 1254 L CB -0.055 41.926 42.059 -0.129 0.000 1.232 1254 L HN 0.706 nan 8.230 nan 0.000 0.486 1262 S N 0.411 116.014 115.700 -0.161 0.000 2.709 1262 S HA 0.580 5.048 4.470 -0.003 0.000 0.305 1262 S C -1.413 173.116 174.600 -0.118 0.000 0.974 1262 S CA -0.500 57.594 58.200 -0.177 0.000 0.837 1262 S CB 0.709 63.892 63.200 -0.029 0.000 1.032 1262 S HN 2.008 nan 8.310 nan 0.000 0.461 1263 I N 2.416 122.920 120.570 -0.109 0.000 2.693 1263 I HA 0.844 5.012 4.170 -0.003 0.000 0.303 1263 I C 0.047 176.226 176.117 0.103 0.000 1.025 1263 I CA -0.085 61.163 61.300 -0.087 0.000 1.086 1263 I CB 2.312 40.176 38.000 -0.227 0.000 1.268 1263 I HN 1.091 nan 8.210 nan 0.000 0.440 1264 S N 5.680 121.455 115.700 0.125 0.000 2.664 1264 S HA 0.959 5.427 4.470 -0.003 0.000 0.304 1264 S C -0.797 174.083 174.600 0.467 0.000 1.099 1264 S CA -0.349 58.034 58.200 0.305 0.000 1.003 1264 S CB 1.875 65.171 63.200 0.160 0.000 1.092 1264 S HN 0.887 nan 8.310 nan 0.000 0.525 1265 F N -1.777 118.191 119.950 0.030 0.000 2.890 1265 F HA 0.527 5.052 4.527 -0.003 0.000 0.326 1265 F C -2.441 173.368 175.800 0.015 0.000 1.143 1265 F CA -1.673 56.328 58.000 0.001 0.000 0.906 1265 F CB 0.241 39.227 39.000 -0.023 0.000 1.303 1265 F HN 0.464 nan 8.300 nan 0.000 0.447 1266 I N 3.760 124.282 120.570 -0.080 0.000 2.371 1266 I HA 0.302 4.470 4.170 -0.003 0.000 0.282 1266 I C -2.347 173.675 176.117 -0.158 0.000 1.031 1266 I CA -2.362 58.834 61.300 -0.173 0.000 1.180 1266 I CB 1.241 39.213 38.000 -0.047 0.000 1.336 1266 I HN 0.340 nan 8.210 nan 0.000 0.467 1267 P HA 0.147 nan 4.420 nan 0.000 0.261 1267 P C -2.592 174.732 177.300 0.040 0.000 1.203 1267 P CA -0.854 62.231 63.100 -0.024 0.000 0.767 1267 P CB -0.165 31.566 31.700 0.051 0.000 0.785 1268 P HA 0.116 nan 4.420 nan 0.000 0.272 1268 P C -0.097 177.313 177.300 0.184 0.000 1.230 1268 P CA 0.137 63.260 63.100 0.039 0.000 0.788 1268 P CB 0.351 32.017 31.700 -0.057 0.000 0.949 1269 D N -0.068 120.401 120.400 0.115 0.000 2.339 1269 D HA 0.462 5.101 4.640 -0.003 0.000 0.245 1269 D C 0.854 177.193 176.300 0.065 0.000 1.115 1269 D CA 1.155 55.207 54.000 0.087 0.000 0.917 1269 D CB 0.403 41.247 40.800 0.073 0.000 1.192 1269 D HN 0.590 nan 8.370 nan 0.000 0.428 1270 G N 2.276 111.043 108.800 -0.055 0.000 2.475 1270 G HA2 -0.159 3.799 3.960 -0.003 0.000 0.223 1270 G HA3 -0.159 3.799 3.960 -0.003 0.000 0.223 1270 G C -0.613 174.143 174.900 -0.240 0.000 1.201 1270 G CA -0.036 44.987 45.100 -0.129 0.000 0.962 1270 G HN 0.703 nan 8.290 nan 0.000 0.586 1271 E N -0.070 120.025 120.200 -0.175 0.000 2.212 1271 E HA 0.707 5.055 4.350 -0.003 0.000 0.268 1271 E C -0.679 175.843 176.600 -0.130 0.000 0.902 1271 E CA -0.933 55.296 56.400 -0.285 0.000 0.779 1271 E CB 1.232 30.819 29.700 -0.188 0.000 1.172 1271 E HN 1.153 nan 8.360 nan 0.000 0.409 1272 F N 0.200 120.162 119.950 0.020 0.000 2.713 1272 F HA 0.348 4.873 4.527 -0.003 0.000 0.311 1272 F C -1.156 174.719 175.800 0.126 0.000 1.141 1272 F CA -1.310 56.752 58.000 0.105 0.000 0.939 1272 F CB 0.913 39.958 39.000 0.075 0.000 1.325 1272 F HN 0.356 nan 8.300 nan 0.000 0.453 1273 E N 2.248 122.793 120.200 0.575 0.000 1.893 1273 E HA 0.216 4.564 4.350 -0.003 0.000 0.269 1273 E C 0.631 177.542 176.600 0.518 0.000 1.129 1273 E CA -0.438 56.189 56.400 0.379 0.000 0.904 1273 E CB 0.789 30.606 29.700 0.196 0.000 1.077 1273 E HN 0.811 nan 8.360 nan 0.000 0.407 1274 L N 5.400 126.951 121.223 0.547 0.000 2.021 1274 L HA -0.140 4.198 4.340 -0.003 0.000 0.215 1274 L C 0.492 177.476 176.870 0.189 0.000 1.074 1274 L CA 2.088 57.145 54.840 0.362 0.000 0.760 1274 L CB -0.219 41.963 42.059 0.205 0.000 0.889 1274 L HN 0.755 nan 8.230 nan 0.000 0.433 1275 M N -3.018 116.642 119.600 0.100 0.000 2.773 1275 M HA 0.561 5.039 4.480 -0.003 0.000 0.270 1275 M C -0.530 175.732 176.300 -0.063 0.000 1.238 1275 M CA -0.927 54.326 55.300 -0.079 0.000 0.832 1275 M CB 1.866 34.356 32.600 -0.183 0.000 1.672 1275 M HN -0.096 nan 8.290 nan 0.000 0.480 1276 R N 0.495 120.911 120.500 -0.139 0.000 2.867 1276 R HA 0.928 5.266 4.340 -0.003 0.000 0.268 1276 R C -1.987 174.408 176.300 0.159 0.000 1.014 1276 R CA -0.452 55.693 56.100 0.074 0.000 0.946 1276 R CB 1.707 32.010 30.300 0.005 0.000 1.208 1276 R HN 0.969 nan 8.270 nan 0.000 0.477 1277 Y N -1.761 118.470 120.300 -0.115 0.000 2.852 1277 Y HA 0.607 5.155 4.550 -0.003 0.000 0.350 1277 Y C -1.643 174.238 175.900 -0.033 0.000 1.272 1277 Y CA -1.516 56.529 58.100 -0.093 0.000 1.086 1277 Y CB 1.277 39.687 38.460 -0.083 0.000 1.408 1277 Y HN 0.595 nan 8.280 nan 0.000 0.447 1278 R N 1.780 122.230 120.500 -0.084 0.000 2.522 1278 R HA 0.464 4.802 4.340 -0.003 0.000 0.273 1278 R C -2.127 174.153 176.300 -0.034 0.000 1.133 1278 R CA -0.043 55.970 56.100 -0.145 0.000 0.969 1278 R CB 2.315 32.593 30.300 -0.038 0.000 1.235 1278 R HN 1.050 nan 8.270 nan 0.000 0.433 1279 T N 0.361 114.888 114.554 -0.045 0.000 2.930 1279 T HA 0.587 4.935 4.350 -0.003 0.000 0.290 1279 T C 0.538 175.268 174.700 0.049 0.000 1.052 1279 T CA 0.259 62.376 62.100 0.029 0.000 1.017 1279 T CB 1.424 70.325 68.868 0.055 0.000 1.137 1279 T HN 0.683 nan 8.240 nan 0.000 0.511 1280 T N -0.935 113.652 114.554 0.055 0.000 3.073 1280 T HA 0.373 4.721 4.350 -0.003 0.000 0.264 1280 T C 0.132 174.860 174.700 0.047 0.000 0.893 1280 T CA -0.357 61.781 62.100 0.064 0.000 0.863 1280 T CB 0.054 68.954 68.868 0.053 0.000 1.247 1280 T HN 0.506 nan 8.240 nan 0.000 0.546 1281 K N 2.618 123.043 120.400 0.041 0.000 2.118 1281 K HA 0.407 4.725 4.320 -0.003 0.000 0.267 1281 K C -0.497 176.125 176.600 0.037 0.000 0.991 1281 K CA -0.408 55.900 56.287 0.034 0.000 0.916 1281 K CB 0.702 33.219 32.500 0.029 0.000 1.041 1281 K HN 0.094 nan 8.250 nan 0.000 0.455 1282 D N 0.511 120.930 120.400 0.032 0.000 2.882 1282 D HA -0.220 4.418 4.640 -0.003 0.000 0.229 1282 D C 0.006 176.331 176.300 0.042 0.000 1.167 1282 D CA 0.856 54.875 54.000 0.031 0.000 0.759 1282 D CB -1.812 39.003 40.800 0.025 0.000 1.088 1282 D HN 0.473 nan 8.370 nan 0.000 0.425 1283 I N 0.728 121.329 120.570 0.053 0.000 2.692 1283 I HA 0.009 4.177 4.170 -0.003 0.000 0.284 1283 I C 1.424 177.596 176.117 0.091 0.000 1.159 1283 I CA -0.041 61.303 61.300 0.074 0.000 1.423 1283 I CB 0.382 38.426 38.000 0.073 0.000 1.380 1283 I HN -0.091 nan 8.210 nan 0.000 0.580 1284 I N 6.630 127.277 120.570 0.128 0.000 2.342 1284 I HA 0.216 4.384 4.170 -0.003 0.000 0.291 1284 I C -0.222 176.034 176.117 0.231 0.000 1.010 1284 I CA -0.368 61.020 61.300 0.147 0.000 1.308 1284 I CB 0.521 38.608 38.000 0.145 0.000 1.400 1284 I HN 0.328 nan 8.210 nan 0.000 0.488 1285 L N 8.625 129.972 121.223 0.206 0.000 2.259 1285 L HA 0.253 4.591 4.340 -0.003 0.000 0.288 1285 L C -1.520 175.517 176.870 0.279 0.000 1.051 1285 L CA -1.476 53.545 54.840 0.303 0.000 0.824 1285 L CB 0.869 43.079 42.059 0.252 0.000 1.206 1285 L HN 0.348 nan 8.230 nan 0.000 0.429 1286 P HA -0.197 nan 4.420 nan 0.000 0.212 1286 P C -0.129 177.007 177.300 -0.274 0.000 1.174 1286 P CA 1.580 64.716 63.100 0.060 0.000 0.934 1286 P CB 0.194 31.730 31.700 -0.274 0.000 0.791 1287 F N -2.695 117.320 119.950 0.109 0.000 2.497 1287 F HA 0.577 5.102 4.527 -0.003 0.000 0.331 1287 F C 0.924 176.860 175.800 0.226 0.000 1.060 1287 F CA -0.777 57.279 58.000 0.093 0.000 0.989 1287 F CB 1.084 40.125 39.000 0.068 0.000 1.245 1287 F HN -0.392 nan 8.300 nan 0.000 0.486 1288 R N 0.712 121.420 120.500 0.347 0.000 2.561 1288 R HA 0.737 5.075 4.340 -0.003 0.000 0.297 1288 R C -2.296 174.151 176.300 0.245 0.000 0.969 1288 R CA -0.591 55.664 56.100 0.259 0.000 0.879 1288 R CB 1.530 31.916 30.300 0.143 0.000 1.178 1288 R HN 0.459 nan 8.270 nan 0.000 0.445 1289 V N 5.919 125.966 119.914 0.222 0.000 2.384 1289 V HA 0.465 4.584 4.120 -0.003 0.000 0.287 1289 V C -0.340 175.834 176.094 0.134 0.000 1.020 1289 V CA -0.751 61.660 62.300 0.184 0.000 0.850 1289 V CB 1.410 33.348 31.823 0.192 0.000 0.987 1289 V HN 0.638 nan 8.190 nan 0.000 0.436 1290 I N 8.260 128.903 120.570 0.122 0.000 2.313 1290 I HA 0.354 4.522 4.170 -0.003 0.000 0.286 1290 I C -2.096 174.075 176.117 0.089 0.000 1.091 1290 I CA -2.208 59.148 61.300 0.093 0.000 1.216 1290 I CB 1.337 39.387 38.000 0.083 0.000 1.434 1290 I HN 0.457 nan 8.210 nan 0.000 0.487 1291 P HA 0.308 nan 4.420 nan 0.000 0.292 1291 P C -1.006 176.330 177.300 0.059 0.000 1.287 1291 P CA -0.582 62.563 63.100 0.075 0.000 0.800 1291 P CB 2.133 33.878 31.700 0.076 0.000 0.945 1292 L N 5.215 126.470 121.223 0.054 0.000 2.471 1292 L HA 0.380 4.718 4.340 -0.003 0.000 0.263 1292 L C -1.475 175.420 176.870 0.041 0.000 0.985 1292 L CA -0.719 54.147 54.840 0.043 0.000 0.868 1292 L CB 1.462 43.542 42.059 0.035 0.000 1.203 1292 L HN 0.036 nan 8.230 nan 0.000 0.429 1293 V N 5.718 125.662 119.914 0.051 0.000 2.448 1293 V HA 0.644 4.762 4.120 -0.003 0.000 0.295 1293 V C -0.012 176.110 176.094 0.046 0.000 1.025 1293 V CA -0.567 61.766 62.300 0.056 0.000 0.859 1293 V CB 1.955 33.836 31.823 0.096 0.000 0.988 1293 V HN 0.785 nan 8.190 nan 0.000 0.431 1294 R N 2.859 123.376 120.500 0.029 0.000 2.803 1294 R HA 0.608 4.947 4.340 -0.003 0.000 0.276 1294 R C -0.921 175.387 176.300 0.012 0.000 0.978 1294 R CA -0.701 55.412 56.100 0.021 0.000 0.939 1294 R CB 2.118 32.424 30.300 0.011 0.000 1.179 1294 R HN 0.759 nan 8.270 nan 0.000 0.472 1295 E N 2.029 122.236 120.200 0.012 0.000 2.158 1295 E HA 0.290 4.638 4.350 -0.003 0.000 0.271 1295 E C -1.114 175.483 176.600 -0.006 0.000 0.911 1295 E CA -0.776 55.625 56.400 0.002 0.000 0.767 1295 E CB 2.391 32.099 29.700 0.013 0.000 1.120 1295 E HN 0.212 nan 8.360 nan 0.000 0.405 1296 V N 2.639 122.543 119.914 -0.017 0.000 2.276 1296 V HA 0.517 4.635 4.120 -0.003 0.000 0.268 1296 V C 0.713 176.794 176.094 -0.022 0.000 1.032 1296 V CA -0.100 62.190 62.300 -0.018 0.000 0.810 1296 V CB -0.040 31.770 31.823 -0.022 0.000 1.060 1296 V HN 1.012 nan 8.190 nan 0.000 0.446 1297 G N 5.292 114.082 108.800 -0.016 0.000 2.509 1297 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.259 1297 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.259 1297 G C 0.512 175.399 174.900 -0.022 0.000 1.169 1297 G CA 0.642 45.731 45.100 -0.018 0.000 0.953 1297 G HN 0.592 nan 8.290 nan 0.000 0.563 1298 R N -0.704 119.779 120.500 -0.029 0.000 2.194 1298 R HA 0.218 4.556 4.340 -0.003 0.000 0.194 1298 R C 2.897 179.165 176.300 -0.052 0.000 0.985 1298 R CA 1.322 57.400 56.100 -0.036 0.000 1.104 1298 R CB -0.549 29.733 30.300 -0.030 0.000 1.092 1298 R HN 0.672 nan 8.270 nan 0.000 0.555 1299 T N -0.042 114.482 114.554 -0.050 0.000 2.867 1299 T HA 0.046 4.394 4.350 -0.003 0.000 0.268 1299 T C 0.914 175.570 174.700 -0.072 0.000 1.057 1299 T CA 0.788 62.851 62.100 -0.061 0.000 1.136 1299 T CB 0.066 68.903 68.868 -0.051 0.000 0.874 1299 T HN -0.135 nan 8.240 nan 0.000 0.466 1300 K N 1.324 121.687 120.400 -0.061 0.000 2.130 1300 K HA 0.600 4.918 4.320 -0.003 0.000 0.268 1300 K C -0.981 175.581 176.600 -0.065 0.000 0.983 1300 K CA -0.626 55.623 56.287 -0.063 0.000 0.893 1300 K CB 2.035 34.506 32.500 -0.048 0.000 1.066 1300 K HN 0.291 nan 8.250 nan 0.000 0.450 1301 L N 2.697 123.875 121.223 -0.075 0.000 2.611 1301 L HA 0.214 4.552 4.340 -0.003 0.000 0.263 1301 L C -0.863 175.970 176.870 -0.062 0.000 0.969 1301 L CA -0.487 54.311 54.840 -0.069 0.000 0.894 1301 L CB 1.305 43.299 42.059 -0.110 0.000 1.229 1301 L HN 0.482 nan 8.230 nan 0.000 0.416 1302 E N 3.501 123.679 120.200 -0.038 0.000 2.313 1302 E HA 0.583 4.931 4.350 -0.003 0.000 0.272 1302 E C -0.894 175.693 176.600 -0.021 0.000 1.038 1302 E CA -0.455 55.925 56.400 -0.035 0.000 0.863 1302 E CB 2.637 32.322 29.700 -0.025 0.000 1.060 1302 E HN 0.341 nan 8.360 nan 0.000 0.402 1303 V N 1.940 121.836 119.914 -0.029 0.000 2.711 1303 V HA 0.358 4.476 4.120 -0.003 0.000 0.304 1303 V C -0.360 175.716 176.094 -0.029 0.000 1.097 1303 V CA -0.890 61.401 62.300 -0.015 0.000 0.906 1303 V CB 2.142 33.957 31.823 -0.013 0.000 1.015 1303 V HN 0.524 nan 8.190 nan 0.000 0.427 1304 K N 3.630 124.025 120.400 -0.009 0.000 2.640 1304 K HA 0.713 5.032 4.320 -0.003 0.000 0.245 1304 K C -1.943 174.666 176.600 0.015 0.000 0.962 1304 K CA -0.325 55.953 56.287 -0.014 0.000 0.896 1304 K CB 2.082 34.579 32.500 -0.005 0.000 1.147 1304 K HN 0.518 nan 8.250 nan 0.000 0.445 1305 V N 4.220 124.142 119.914 0.014 0.000 2.459 1305 V HA 0.487 4.605 4.120 -0.003 0.000 0.295 1305 V C -0.516 175.655 176.094 0.129 0.000 1.029 1305 V CA -0.799 61.547 62.300 0.077 0.000 0.874 1305 V CB 1.840 33.724 31.823 0.103 0.000 0.985 1305 V HN 0.463 nan 8.190 nan 0.000 0.438 1306 V N 5.837 125.841 119.914 0.150 0.000 2.588 1306 V HA 0.587 4.705 4.120 -0.003 0.000 0.304 1306 V C -0.326 175.882 176.094 0.190 0.000 1.042 1306 V CA -0.626 61.782 62.300 0.181 0.000 0.877 1306 V CB 1.871 33.769 31.823 0.126 0.000 0.996 1306 V HN 0.814 nan 8.190 nan 0.000 0.425 1307 I N 0.710 121.407 120.570 0.212 0.000 2.441 1307 I HA 0.697 4.866 4.170 -0.003 0.000 0.295 1307 I C -0.524 175.712 176.117 0.199 0.000 0.994 1307 I CA -0.676 60.744 61.300 0.200 0.000 1.144 1307 I CB 1.746 39.827 38.000 0.134 0.000 1.314 1307 I HN 0.460 nan 8.210 nan 0.000 0.445 1308 K N 4.373 124.894 120.400 0.201 0.000 2.307 1308 K HA 0.358 4.676 4.320 -0.003 0.000 0.263 1308 K C -0.286 176.317 176.600 0.005 0.000 0.973 1308 K CA -0.555 55.788 56.287 0.093 0.000 0.846 1308 K CB 1.983 34.505 32.500 0.038 0.000 1.100 1308 K HN 0.883 nan 8.250 nan 0.000 0.438 1309 S N 2.150 117.750 115.700 -0.167 0.000 2.548 1309 S HA 0.144 4.612 4.470 -0.003 0.000 0.277 1309 S C -0.070 173.989 174.600 -0.900 0.000 1.315 1309 S CA -0.566 57.181 58.200 -0.754 0.000 1.050 1309 S CB 0.680 63.502 63.200 -0.632 0.000 0.918 1309 S HN 0.604 nan 8.310 nan 0.000 0.497 1310 N N 2.601 120.549 118.700 -1.254 0.000 2.746 1310 N HA 0.576 5.314 4.740 -0.003 0.000 0.250 1310 N C -1.498 173.600 175.510 -0.686 0.000 1.146 1310 N CA -0.706 51.891 53.050 -0.754 0.000 0.828 1310 N CB -0.025 38.268 38.487 -0.323 0.000 1.158 1310 N HN 0.660 nan 8.380 nan 0.000 0.519 1311 F N -1.237 118.621 119.950 -0.153 0.000 2.952 1311 F HA 0.356 4.881 4.527 -0.003 0.000 0.329 1311 F C -0.660 175.064 175.800 -0.126 0.000 1.137 1311 F CA -1.445 56.448 58.000 -0.178 0.000 0.889 1311 F CB 0.301 39.213 39.000 -0.146 0.000 1.335 1311 F HN -0.134 nan 8.300 nan 0.000 0.449 1312 K N 1.497 121.992 120.400 0.158 0.000 2.513 1312 K HA 0.007 4.325 4.320 -0.003 0.000 0.275 1312 K C -2.032 174.673 176.600 0.176 0.000 1.025 1312 K CA -0.328 56.018 56.287 0.099 0.000 1.125 1312 K CB 0.101 32.627 32.500 0.043 0.000 0.843 1312 K HN 0.345 nan 8.250 nan 0.000 0.486 1313 P HA -0.237 nan 4.420 nan 0.000 0.220 1313 P C 1.060 178.422 177.300 0.104 0.000 1.144 1313 P CA 1.327 64.485 63.100 0.097 0.000 0.800 1313 P CB 0.160 31.886 31.700 0.045 0.000 0.772 1314 S N -1.867 113.882 115.700 0.082 0.000 2.423 1314 S HA -0.048 4.420 4.470 -0.003 0.000 0.231 1314 S C 0.717 175.350 174.600 0.055 0.000 1.014 1314 S CA 0.624 58.860 58.200 0.059 0.000 0.965 1314 S CB -1.017 62.209 63.200 0.043 0.000 0.785 1314 S HN -0.044 nan 8.310 nan 0.000 0.495 1315 L N 2.179 123.439 121.223 0.062 0.000 2.312 1315 L HA 0.505 4.843 4.340 -0.003 0.000 0.281 1315 L C -0.256 176.590 176.870 -0.040 0.000 1.070 1315 L CA -0.212 54.618 54.840 -0.017 0.000 0.805 1315 L CB 1.070 43.078 42.059 -0.085 0.000 1.174 1315 L HN 0.228 nan 8.230 nan 0.000 0.434 1316 L N 2.783 123.966 121.223 -0.068 0.000 2.313 1316 L HA 0.789 5.127 4.340 -0.003 0.000 0.283 1316 L C 0.079 176.879 176.870 -0.117 0.000 1.013 1316 L CA -0.864 53.958 54.840 -0.030 0.000 0.816 1316 L CB 1.521 43.588 42.059 0.013 0.000 1.236 1316 L HN 0.701 nan 8.230 nan 0.000 0.419 1317 A N 3.740 126.503 122.820 -0.094 0.000 2.301 1317 A HA 0.610 4.928 4.320 -0.003 0.000 0.298 1317 A C -0.143 177.452 177.584 0.019 0.000 1.185 1317 A CA -0.404 51.569 52.037 -0.107 0.000 0.830 1317 A CB 0.767 19.740 19.000 -0.045 0.000 1.112 1317 A HN 0.826 nan 8.150 nan 0.000 0.508 1318 Q N 1.060 120.856 119.800 -0.007 0.000 2.712 1318 Q HA 0.679 5.017 4.340 -0.003 0.000 0.267 1318 Q C -1.057 174.954 176.000 0.018 0.000 1.062 1318 Q CA -1.285 54.522 55.803 0.006 0.000 0.888 1318 Q CB 0.424 29.156 28.738 -0.010 0.000 1.374 1318 Q HN 0.441 nan 8.270 nan 0.000 0.498 1319 K N 0.212 120.610 120.400 -0.003 0.000 4.418 1319 K HA -0.168 4.150 4.320 -0.003 0.000 0.285 1319 K C -1.160 175.436 176.600 -0.007 0.000 0.874 1319 K CA 0.665 56.946 56.287 -0.010 0.000 0.844 1319 K CB -1.691 30.808 32.500 -0.002 0.000 1.691 1319 K HN 0.447 nan 8.250 nan 0.000 0.433 1320 I N 0.881 121.417 120.570 -0.058 0.000 2.437 1320 I HA 0.301 4.469 4.170 -0.003 0.000 0.298 1320 I C 0.211 176.229 176.117 -0.165 0.000 0.984 1320 I CA -0.641 60.586 61.300 -0.121 0.000 1.214 1320 I CB 1.826 39.684 38.000 -0.238 0.000 1.365 1320 I HN 0.360 nan 8.210 nan 0.000 0.469 1321 E N 4.904 125.003 120.200 -0.169 0.000 2.278 1321 E HA 0.520 4.868 4.350 -0.003 0.000 0.272 1321 E C -1.933 174.602 176.600 -0.107 0.000 0.890 1321 E CA -0.531 55.796 56.400 -0.121 0.000 0.770 1321 E CB 2.151 31.805 29.700 -0.076 0.000 1.212 1321 E HN 0.291 nan 8.360 nan 0.000 0.415 1322 V N 4.536 124.438 119.914 -0.019 0.000 2.495 1322 V HA 0.529 4.647 4.120 -0.003 0.000 0.298 1322 V C -0.384 175.790 176.094 0.134 0.000 1.031 1322 V CA -0.731 61.614 62.300 0.075 0.000 0.871 1322 V CB 1.672 33.632 31.823 0.228 0.000 0.988 1322 V HN 0.640 nan 8.190 nan 0.000 0.432 1323 R N 5.204 125.765 120.500 0.100 0.000 2.371 1323 R HA 0.600 4.939 4.340 -0.003 0.000 0.312 1323 R C -1.446 174.921 176.300 0.112 0.000 0.980 1323 R CA -0.453 55.706 56.100 0.097 0.000 0.867 1323 R CB 0.892 31.226 30.300 0.057 0.000 1.163 1323 R HN 0.724 nan 8.270 nan 0.000 0.492 1324 I N 7.275 127.924 120.570 0.131 0.000 2.330 1324 I HA 0.329 4.497 4.170 -0.003 0.000 0.289 1324 I C -1.922 174.297 176.117 0.171 0.000 1.001 1324 I CA -2.555 58.830 61.300 0.140 0.000 1.193 1324 I CB 2.037 40.111 38.000 0.124 0.000 1.345 1324 I HN 0.467 nan 8.210 nan 0.000 0.461 1325 P HA 0.070 nan 4.420 nan 0.000 0.276 1325 P C -0.325 177.238 177.300 0.437 0.000 1.253 1325 P CA -0.058 63.219 63.100 0.295 0.000 0.766 1325 P CB 0.662 32.516 31.700 0.256 0.000 0.845 1326 T N 1.752 116.496 114.554 0.317 0.000 2.907 1326 T HA 0.509 4.857 4.350 -0.003 0.000 0.284 1326 T C -2.532 172.118 174.700 -0.084 0.000 1.004 1326 T CA -2.598 59.564 62.100 0.103 0.000 1.063 1326 T CB 0.518 69.490 68.868 0.173 0.000 0.992 1326 T HN 0.115 nan 8.240 nan 0.000 0.483 1327 P HA 0.133 nan 4.420 nan 0.000 0.271 1327 P C 0.858 177.976 177.300 -0.303 0.000 1.238 1327 P CA -0.434 62.016 63.100 -1.084 0.000 0.794 1327 P CB 0.478 31.453 31.700 -1.207 0.000 0.959 1328 L N 0.807 121.930 121.223 -0.166 0.000 2.179 1328 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 1328 L C 1.452 178.290 176.870 -0.053 0.000 1.096 1328 L CA 1.165 55.995 54.840 -0.017 0.000 0.779 1328 L CB -0.561 41.530 42.059 0.053 0.000 0.922 1328 L HN 0.437 nan 8.230 nan 0.000 0.443 1329 N N -1.224 117.406 118.700 -0.116 0.000 2.471 1329 N HA -0.062 4.676 4.740 -0.003 0.000 0.205 1329 N C -0.078 175.363 175.510 -0.115 0.000 1.251 1329 N CA 0.062 53.053 53.050 -0.097 0.000 0.843 1329 N CB -0.898 37.527 38.487 -0.103 0.000 1.044 1329 N HN -0.032 nan 8.380 nan 0.000 0.461 1330 T N 0.054 114.539 114.554 -0.115 0.000 2.853 1330 T HA 0.095 4.444 4.350 -0.003 0.000 0.298 1330 T C 1.251 175.901 174.700 -0.084 0.000 0.978 1330 T CA 0.144 62.167 62.100 -0.129 0.000 1.152 1330 T CB 0.970 69.773 68.868 -0.110 0.000 0.914 1330 T HN 0.510 nan 8.240 nan 0.000 0.539 1331 S N 2.370 118.005 115.700 -0.108 0.000 2.506 1331 S HA 0.426 4.894 4.470 -0.003 0.000 0.230 1331 S C 0.956 175.502 174.600 -0.090 0.000 1.066 1331 S CA 0.042 58.197 58.200 -0.075 0.000 0.940 1331 S CB 0.402 63.561 63.200 -0.068 0.000 0.818 1331 S HN 0.903 nan 8.310 nan 0.000 0.518 1332 G N 0.524 109.235 108.800 -0.148 0.000 2.759 1332 G HA2 0.561 4.519 3.960 -0.003 0.000 0.297 1332 G HA3 0.561 4.519 3.960 -0.003 0.000 0.297 1332 G C -1.993 172.749 174.900 -0.262 0.000 1.434 1332 G CA -0.309 44.689 45.100 -0.170 0.000 0.980 1332 G HN 0.782 nan 8.290 nan 0.000 0.531 1333 V N 1.358 121.073 119.914 -0.332 0.000 2.638 1333 V HA 0.747 4.865 4.120 -0.003 0.000 0.306 1333 V C -1.415 174.548 176.094 -0.217 0.000 1.052 1333 V CA -0.775 61.306 62.300 -0.365 0.000 0.885 1333 V CB 1.987 33.385 31.823 -0.709 0.000 0.999 1333 V HN 0.679 nan 8.190 nan 0.000 0.424 1334 Q N 4.779 124.482 119.800 -0.162 0.000 2.333 1334 Q HA 0.564 4.902 4.340 -0.003 0.000 0.268 1334 Q C -0.620 175.316 176.000 -0.107 0.000 1.007 1334 Q CA -0.365 55.373 55.803 -0.108 0.000 0.810 1334 Q CB 2.076 30.762 28.738 -0.088 0.000 1.264 1334 Q HN 1.011 nan 8.270 nan 0.000 0.452 1335 V N 0.351 120.209 119.914 -0.093 0.000 2.919 1335 V HA 0.783 4.901 4.120 -0.003 0.000 0.316 1335 V C -0.406 175.620 176.094 -0.113 0.000 1.077 1335 V CA -0.756 61.474 62.300 -0.118 0.000 0.977 1335 V CB 2.153 33.899 31.823 -0.127 0.000 1.039 1335 V HN 0.676 nan 8.190 nan 0.000 0.441 1336 I N 3.072 123.552 120.570 -0.151 0.000 2.607 1336 I HA 0.690 4.858 4.170 -0.003 0.000 0.290 1336 I C -0.992 175.018 176.117 -0.178 0.000 1.129 1336 I CA -0.390 60.837 61.300 -0.122 0.000 1.042 1336 I CB 2.175 40.124 38.000 -0.085 0.000 1.242 1336 I HN 1.137 nan 8.210 nan 0.000 0.421 1337 C N 4.346 123.579 119.300 -0.112 0.000 2.931 1337 C HA 0.473 4.931 4.460 -0.003 0.000 0.370 1337 C C 0.632 175.663 174.990 0.070 0.000 1.071 1337 C CA -0.822 58.156 59.018 -0.068 0.000 1.266 1337 C CB 1.573 29.216 27.740 -0.160 0.000 1.691 1337 C HN 0.776 nan 8.230 nan 0.000 0.511 1338 M N 1.222 120.892 119.600 0.116 0.000 2.388 1338 M HA 0.146 4.625 4.480 -0.003 0.000 0.265 1338 M C 0.665 177.052 176.300 0.145 0.000 1.088 1338 M CA 1.171 56.537 55.300 0.110 0.000 1.134 1338 M CB -0.811 31.844 32.600 0.091 0.000 1.384 1338 M HN 0.775 nan 8.290 nan 0.000 0.447 1339 K N 0.086 120.624 120.400 0.231 0.000 2.259 1339 K HA 0.596 4.914 4.320 -0.003 0.000 0.249 1339 K C 0.543 177.305 176.600 0.270 0.000 0.942 1339 K CA -0.183 56.224 56.287 0.201 0.000 0.816 1339 K CB 1.826 34.418 32.500 0.154 0.000 1.155 1339 K HN 0.210 nan 8.250 nan 0.000 0.428 1340 G N 1.824 110.712 108.800 0.147 0.000 2.601 1340 G HA2 -0.285 3.674 3.960 -0.003 0.000 0.261 1340 G HA3 -0.285 3.674 3.960 -0.003 0.000 0.261 1340 G C -0.886 174.155 174.900 0.234 0.000 1.289 1340 G CA -0.272 44.907 45.100 0.132 0.000 0.920 1340 G HN 0.568 nan 8.290 nan 0.000 0.571 1341 K N -0.337 120.222 120.400 0.264 0.000 2.502 1341 K HA 0.696 5.014 4.320 -0.003 0.000 0.257 1341 K C -0.959 175.848 176.600 0.346 0.000 0.938 1341 K CA -0.181 56.251 56.287 0.242 0.000 0.819 1341 K CB 1.889 34.469 32.500 0.133 0.000 1.333 1341 K HN 1.776 nan 8.250 nan 0.000 0.434 1342 A N 3.566 126.511 122.820 0.207 0.000 2.408 1342 A HA 0.541 4.859 4.320 -0.003 0.000 0.295 1342 A C -1.369 176.261 177.584 0.077 0.000 1.040 1342 A CA -0.795 51.335 52.037 0.155 0.000 0.707 1342 A CB 1.058 20.018 19.000 -0.066 0.000 1.235 1342 A HN 0.680 nan 8.150 nan 0.000 0.418 1343 K N 0.430 120.885 120.400 0.092 0.000 2.238 1343 K HA 0.481 4.799 4.320 -0.003 0.000 0.239 1343 K C -1.469 175.200 176.600 0.114 0.000 0.987 1343 K CA -0.641 55.695 56.287 0.082 0.000 0.857 1343 K CB 2.007 34.540 32.500 0.055 0.000 1.154 1343 K HN 0.657 nan 8.250 nan 0.000 0.439 1344 Y N 1.821 122.121 120.300 -0.000 0.000 2.721 1344 Y HA 0.223 4.771 4.550 -0.003 0.000 0.328 1344 Y C -0.982 174.920 175.900 0.003 0.000 1.003 1344 Y CA -0.793 57.305 58.100 -0.003 0.000 1.275 1344 Y CB 0.391 38.840 38.460 -0.018 0.000 1.097 1344 Y HN 0.313 nan 8.280 nan 0.000 0.514 1345 K N 5.071 125.223 120.400 -0.413 0.000 2.228 1345 K HA 0.336 4.654 4.320 -0.003 0.000 0.284 1345 K C 0.939 177.113 176.600 -0.709 0.000 1.088 1345 K CA 0.390 56.429 56.287 -0.413 0.000 0.941 1345 K CB 0.916 33.301 32.500 -0.191 0.000 1.158 1345 K HN 0.810 nan 8.250 nan 0.000 0.438 1346 A N 2.376 124.664 122.820 -0.887 0.000 1.969 1346 A HA -0.158 4.160 4.320 -0.003 0.000 0.218 1346 A C 2.101 179.536 177.584 -0.247 0.000 1.169 1346 A CA 1.634 53.267 52.037 -0.674 0.000 0.635 1346 A CB -0.357 18.515 19.000 -0.213 0.000 0.810 1346 A HN 0.720 nan 8.150 nan 0.000 0.445 1347 S N 0.181 115.768 115.700 -0.188 0.000 2.493 1347 S HA -0.173 4.295 4.470 -0.003 0.000 0.243 1347 S C 1.017 175.569 174.600 -0.079 0.000 0.991 1347 S CA 1.466 59.609 58.200 -0.096 0.000 0.957 1347 S CB -0.366 62.786 63.200 -0.079 0.000 0.756 1347 S HN 0.772 nan 8.310 nan 0.000 0.521 1348 E N 0.559 120.690 120.200 -0.114 0.000 2.601 1348 E HA 0.200 4.548 4.350 -0.003 0.000 0.219 1348 E C -0.631 175.949 176.600 -0.033 0.000 0.964 1348 E CA -0.388 55.974 56.400 -0.063 0.000 1.050 1348 E CB 0.035 29.697 29.700 -0.062 0.000 1.068 1348 E HN 0.377 nan 8.360 nan 0.000 0.496 1349 N N 1.130 119.792 118.700 -0.064 0.000 2.696 1349 N HA -0.187 4.551 4.740 -0.003 0.000 0.256 1349 N C -0.769 174.809 175.510 0.114 0.000 1.031 1349 N CA 1.090 54.171 53.050 0.052 0.000 0.730 1349 N CB -1.004 37.552 38.487 0.115 0.000 0.894 1349 N HN 0.336 nan 8.380 nan 0.000 0.544 1350 A N -0.089 122.754 122.820 0.038 0.000 2.599 1350 A HA 0.666 4.984 4.320 -0.003 0.000 0.294 1350 A C -0.680 176.964 177.584 0.101 0.000 1.055 1350 A CA -0.697 51.412 52.037 0.120 0.000 0.683 1350 A CB 1.291 20.341 19.000 0.083 0.000 1.278 1350 A HN 0.161 nan 8.150 nan 0.000 0.412 1351 I N 1.596 122.278 120.570 0.187 0.000 2.331 1351 I HA 0.380 4.548 4.170 -0.003 0.000 0.292 1351 I C -0.530 175.662 176.117 0.125 0.000 0.998 1351 I CA -0.809 60.598 61.300 0.178 0.000 1.267 1351 I CB 1.638 39.735 38.000 0.162 0.000 1.386 1351 I HN 0.336 nan 8.210 nan 0.000 0.476 1352 V N 6.524 126.502 119.914 0.107 0.000 2.383 1352 V HA 0.207 4.325 4.120 -0.003 0.000 0.275 1352 V C -0.787 175.438 176.094 0.217 0.000 1.036 1352 V CA -0.387 61.988 62.300 0.126 0.000 0.889 1352 V CB 1.396 33.260 31.823 0.069 0.000 0.985 1352 V HN 0.590 nan 8.190 nan 0.000 0.459 1353 W N 6.570 127.873 121.300 0.005 0.000 2.318 1353 W HA 0.550 5.208 4.660 -0.003 0.000 0.315 1353 W C -0.365 176.146 176.519 -0.014 0.000 1.033 1353 W CA -1.730 55.615 57.345 0.001 0.000 1.275 1353 W CB 1.162 30.623 29.460 0.001 0.000 1.250 1353 W HN 0.432 nan 8.180 nan 0.000 0.421 1354 K N 6.940 127.421 120.400 0.136 0.000 2.274 1354 K HA 0.551 4.869 4.320 -0.003 0.000 0.262 1354 K C -0.730 175.782 176.600 -0.147 0.000 0.961 1354 K CA -0.730 55.528 56.287 -0.048 0.000 0.833 1354 K CB 2.098 34.605 32.500 0.013 0.000 1.102 1354 K HN 0.332 nan 8.250 nan 0.000 0.436 1355 I N 4.403 124.823 120.570 -0.251 0.000 2.411 1355 I HA 0.104 4.272 4.170 -0.003 0.000 0.284 1355 I C 1.043 177.089 176.117 -0.120 0.000 1.012 1355 I CA -0.683 60.477 61.300 -0.234 0.000 1.119 1355 I CB 1.474 39.232 38.000 -0.404 0.000 1.261 1355 I HN 0.523 nan 8.210 nan 0.000 0.448 1356 K N 5.941 126.304 120.400 -0.060 0.000 2.071 1356 K HA -0.173 4.145 4.320 -0.003 0.000 0.217 1356 K C 0.363 176.949 176.600 -0.024 0.000 1.054 1356 K CA 1.725 57.994 56.287 -0.030 0.000 0.937 1356 K CB -0.314 32.180 32.500 -0.010 0.000 0.719 1356 K HN 0.695 nan 8.250 nan 0.000 0.454 1357 R N -1.415 119.075 120.500 -0.017 0.000 2.753 1357 R HA 0.536 4.874 4.340 -0.003 0.000 0.272 1357 R C -1.136 175.186 176.300 0.038 0.000 1.034 1357 R CA -0.712 55.395 56.100 0.012 0.000 0.869 1357 R CB 1.056 31.365 30.300 0.015 0.000 1.264 1357 R HN 0.071 nan 8.270 nan 0.000 0.481 1358 M N 1.448 121.108 119.600 0.100 0.000 2.322 1358 M HA 0.631 5.109 4.480 -0.003 0.000 0.286 1358 M C -1.262 175.162 176.300 0.207 0.000 1.111 1358 M CA -0.485 54.904 55.300 0.148 0.000 0.941 1358 M CB 2.477 35.202 32.600 0.207 0.000 1.671 1358 M HN 0.982 nan 8.290 nan 0.000 0.470 1359 A N 2.731 125.651 122.820 0.166 0.000 2.262 1359 A HA 0.746 5.064 4.320 -0.003 0.000 0.273 1359 A C 0.433 178.196 177.584 0.297 0.000 1.202 1359 A CA 0.153 52.308 52.037 0.197 0.000 0.811 1359 A CB -0.240 18.829 19.000 0.114 0.000 1.159 1359 A HN 0.977 nan 8.150 nan 0.000 0.505 1360 G N -1.927 107.062 108.800 0.314 0.000 2.528 1360 G HA2 0.489 4.447 3.960 -0.003 0.000 0.289 1360 G HA3 0.489 4.447 3.960 -0.003 0.000 0.289 1360 G C 0.162 174.995 174.900 -0.112 0.000 1.192 1360 G CA -0.568 44.601 45.100 0.115 0.000 0.921 1360 G HN 0.774 nan 8.290 nan 0.000 0.512 1361 M N -0.183 119.246 119.600 -0.286 0.000 3.480 1361 M HA -0.150 4.328 4.480 -0.003 0.000 0.163 1361 M C -0.106 176.135 176.300 -0.099 0.000 1.420 1361 M CA 1.328 56.523 55.300 -0.176 0.000 0.919 1361 M CB -2.025 30.518 32.600 -0.094 0.000 1.294 1361 M HN 0.677 nan 8.290 nan 0.000 0.559 1362 K N 0.322 120.658 120.400 -0.105 0.000 2.597 1362 K HA 0.594 4.912 4.320 -0.003 0.000 0.282 1362 K C -0.667 175.933 176.600 0.000 0.000 0.975 1362 K CA -0.937 55.334 56.287 -0.027 0.000 0.867 1362 K CB 2.466 34.970 32.500 0.007 0.000 1.465 1362 K HN 0.408 nan 8.250 nan 0.000 0.417 1363 E N 0.418 120.641 120.200 0.039 0.000 2.336 1363 E HA 0.609 4.957 4.350 -0.003 0.000 0.267 1363 E C -1.269 175.391 176.600 0.101 0.000 0.906 1363 E CA -0.989 55.455 56.400 0.073 0.000 0.781 1363 E CB 2.336 32.077 29.700 0.067 0.000 1.261 1363 E HN 0.385 nan 8.360 nan 0.000 0.436 1364 S N 0.717 116.504 115.700 0.144 0.000 2.541 1364 S HA 0.350 4.818 4.470 -0.003 0.000 0.271 1364 S C -1.387 173.404 174.600 0.318 0.000 1.133 1364 S CA -0.869 57.453 58.200 0.203 0.000 0.876 1364 S CB 2.133 65.422 63.200 0.149 0.000 1.105 1364 S HN 0.531 nan 8.310 nan 0.000 0.470 1365 Q N 1.411 121.420 119.800 0.348 0.000 2.423 1365 Q HA 0.802 5.140 4.340 -0.003 0.000 0.278 1365 Q C -1.874 174.169 176.000 0.071 0.000 1.097 1365 Q CA -0.811 55.143 55.803 0.252 0.000 0.809 1365 Q CB 2.030 30.834 28.738 0.110 0.000 1.391 1365 Q HN 0.797 nan 8.270 nan 0.000 0.428 1366 I N 1.589 122.006 120.570 -0.256 0.000 2.607 1366 I HA 0.501 4.669 4.170 -0.003 0.000 0.290 1366 I C -1.697 174.215 176.117 -0.342 0.000 1.129 1366 I CA -0.275 60.629 61.300 -0.661 0.000 1.042 1366 I CB 2.289 39.280 38.000 -1.681 0.000 1.242 1366 I HN 0.689 nan 8.210 nan 0.000 0.421 1367 S N 5.277 120.820 115.700 -0.261 0.000 2.570 1367 S HA 0.989 5.458 4.470 -0.003 0.000 0.286 1367 S C -1.050 173.458 174.600 -0.154 0.000 1.099 1367 S CA -0.654 57.452 58.200 -0.157 0.000 0.913 1367 S CB 2.005 65.147 63.200 -0.097 0.000 1.085 1367 S HN 0.878 nan 8.310 nan 0.000 0.480 1368 A N 1.427 124.176 122.820 -0.117 0.000 2.589 1368 A HA 0.692 5.011 4.320 -0.003 0.000 0.296 1368 A C -1.593 175.932 177.584 -0.099 0.000 1.062 1368 A CA -0.777 51.191 52.037 -0.114 0.000 0.686 1368 A CB 1.195 20.119 19.000 -0.128 0.000 1.282 1368 A HN 0.710 nan 8.150 nan 0.000 0.404 1369 E N 1.114 121.251 120.200 -0.104 0.000 2.151 1369 E HA 0.539 4.887 4.350 -0.003 0.000 0.275 1369 E C -1.058 175.460 176.600 -0.137 0.000 0.936 1369 E CA -0.308 56.031 56.400 -0.101 0.000 0.777 1369 E CB 1.619 31.268 29.700 -0.085 0.000 1.108 1369 E HN 0.531 nan 8.360 nan 0.000 0.401 1370 I N 2.783 123.266 120.570 -0.144 0.000 2.339 1370 I HA 0.213 4.381 4.170 -0.003 0.000 0.290 1370 I C 0.034 176.051 176.117 -0.166 0.000 0.994 1370 I CA -0.750 60.436 61.300 -0.191 0.000 1.191 1370 I CB 1.487 39.359 38.000 -0.213 0.000 1.343 1370 I HN 0.419 nan 8.210 nan 0.000 0.458 1371 E N 6.695 126.793 120.200 -0.170 0.000 2.301 1371 E HA 0.560 4.908 4.350 -0.003 0.000 0.275 1371 E C -1.346 175.170 176.600 -0.140 0.000 1.030 1371 E CA -0.196 56.124 56.400 -0.133 0.000 0.852 1371 E CB 0.989 30.621 29.700 -0.114 0.000 1.060 1371 E HN 0.408 nan 8.360 nan 0.000 0.401 1372 L N 4.377 125.530 121.223 -0.116 0.000 2.386 1372 L HA 0.467 4.805 4.340 -0.003 0.000 0.271 1372 L C -0.605 176.216 176.870 -0.082 0.000 0.993 1372 L CA -1.202 53.568 54.840 -0.116 0.000 0.819 1372 L CB 1.534 43.514 42.059 -0.131 0.000 1.294 1372 L HN 0.489 nan 8.230 nan 0.000 0.414 1373 L N 4.192 125.371 121.223 -0.073 0.000 2.305 1373 L HA 0.498 4.836 4.340 -0.003 0.000 0.281 1373 L C -2.083 174.760 176.870 -0.046 0.000 1.085 1373 L CA -1.283 53.526 54.840 -0.051 0.000 0.813 1373 L CB 1.181 43.215 42.059 -0.041 0.000 1.157 1373 L HN 0.341 nan 8.230 nan 0.000 0.436 1374 P HA -0.095 nan 4.420 nan 0.000 0.261 1374 P C -0.970 176.316 177.300 -0.023 0.000 1.158 1374 P CA 0.566 63.650 63.100 -0.028 0.000 0.758 1374 P CB 0.315 32.002 31.700 -0.021 0.000 0.763 1375 T N 2.249 116.790 114.554 -0.020 0.000 2.855 1375 T HA 0.270 4.618 4.350 -0.003 0.000 0.281 1375 T C 1.063 175.761 174.700 -0.003 0.000 1.007 1375 T CA -0.688 61.405 62.100 -0.011 0.000 1.009 1375 T CB 0.429 69.291 68.868 -0.010 0.000 0.983 1375 T HN 0.168 nan 8.240 nan 0.000 0.455 1376 N N 2.700 121.402 118.700 0.002 0.000 2.402 1376 N HA 0.063 4.801 4.740 -0.003 0.000 0.174 1376 N C 0.009 175.525 175.510 0.010 0.000 1.027 1376 N CA 0.331 53.384 53.050 0.005 0.000 0.891 1376 N CB -0.018 38.472 38.487 0.004 0.000 1.016 1376 N HN 0.678 nan 8.380 nan 0.000 0.439 1377 D N 0.714 121.123 120.400 0.016 0.000 2.319 1377 D HA 0.003 4.641 4.640 -0.003 0.000 0.235 1377 D C 1.162 177.476 176.300 0.025 0.000 1.304 1377 D CA 0.733 54.746 54.000 0.022 0.000 0.894 1377 D CB 0.997 41.816 40.800 0.031 0.000 1.183 1377 D HN 0.017 nan 8.370 nan 0.000 0.472 1378 K N -0.421 119.995 120.400 0.027 0.000 2.399 1378 K HA 0.074 4.392 4.320 -0.003 0.000 0.196 1378 K C -0.170 176.452 176.600 0.036 0.000 1.117 1378 K CA -0.004 56.299 56.287 0.027 0.000 0.965 1378 K CB 0.376 32.888 32.500 0.020 0.000 0.983 1378 K HN 0.215 nan 8.250 nan 0.000 0.531 1379 K N 4.055 124.480 120.400 0.041 0.000 2.163 1379 K HA -0.027 4.291 4.320 -0.003 0.000 0.267 1379 K C -0.524 176.122 176.600 0.077 0.000 1.098 1379 K CA 0.346 56.663 56.287 0.049 0.000 1.062 1379 K CB -0.332 32.198 32.500 0.049 0.000 1.033 1379 K HN 0.104 nan 8.250 nan 0.000 0.396 1380 K N 2.329 122.773 120.400 0.072 0.000 2.453 1380 K HA -0.091 4.227 4.320 -0.003 0.000 0.280 1380 K C -0.229 176.465 176.600 0.156 0.000 1.045 1380 K CA -0.477 55.874 56.287 0.108 0.000 1.059 1380 K CB 0.238 32.785 32.500 0.078 0.000 0.901 1380 K HN 0.406 nan 8.250 nan 0.000 0.475 1381 W N 3.245 124.548 121.300 0.004 0.000 2.568 1381 W HA -0.132 4.526 4.660 -0.003 0.000 0.343 1381 W C -0.266 176.257 176.519 0.007 0.000 1.097 1381 W CA 0.581 57.930 57.345 0.006 0.000 1.171 1381 W CB -0.137 29.328 29.460 0.007 0.000 1.142 1381 W HN 0.698 nan 8.180 nan 0.000 0.569 1382 A N 8.653 131.265 122.820 -0.347 0.000 2.437 1382 A HA 0.315 4.633 4.320 -0.003 0.000 0.303 1382 A C 0.291 177.332 177.584 -0.904 0.000 1.324 1382 A CA -0.696 51.084 52.037 -0.428 0.000 0.983 1382 A CB -0.288 18.562 19.000 -0.249 0.000 1.142 1382 A HN 0.605 nan 8.150 nan 0.000 0.541 1383 R N 2.929 122.895 120.500 -0.889 0.000 2.345 1383 R HA 0.291 4.629 4.340 -0.003 0.000 0.331 1383 R C -2.786 173.173 176.300 -0.570 0.000 1.067 1383 R CA -1.259 54.170 56.100 -1.117 0.000 0.962 1383 R CB -0.446 29.472 30.300 -0.636 0.000 0.987 1383 R HN 0.283 nan 8.270 nan 0.000 0.451 1384 P HA 0.090 nan 4.420 nan 0.000 0.268 1384 P C -2.328 174.897 177.300 -0.125 0.000 1.204 1384 P CA -0.994 61.979 63.100 -0.211 0.000 0.768 1384 P CB 0.265 31.895 31.700 -0.116 0.000 0.842 1385 P HA 0.044 nan 4.420 nan 0.000 0.268 1385 P C -0.220 177.087 177.300 0.011 0.000 1.208 1385 P CA 0.299 63.380 63.100 -0.031 0.000 0.777 1385 P CB 0.288 31.973 31.700 -0.025 0.000 0.875 1386 I N 1.399 121.994 120.570 0.042 0.000 2.363 1386 I HA 0.048 4.216 4.170 -0.003 0.000 0.292 1386 I C 0.809 176.971 176.117 0.076 0.000 1.075 1386 I CA 0.222 61.565 61.300 0.073 0.000 1.333 1386 I CB 0.001 38.059 38.000 0.097 0.000 1.415 1386 I HN 0.281 nan 8.210 nan 0.000 0.502 1387 S N 7.228 122.965 115.700 0.061 0.000 2.614 1387 S HA 0.599 5.067 4.470 -0.003 0.000 0.265 1387 S C -0.247 174.378 174.600 0.042 0.000 1.303 1387 S CA -0.453 57.777 58.200 0.050 0.000 1.000 1387 S CB 1.245 64.457 63.200 0.020 0.000 0.935 1387 S HN 0.631 nan 8.310 nan 0.000 0.551 1388 M N 2.499 122.102 119.600 0.004 0.000 2.365 1388 M HA 0.423 4.901 4.480 -0.003 0.000 0.287 1388 M C -2.061 174.073 176.300 -0.277 0.000 1.154 1388 M CA -0.508 54.730 55.300 -0.102 0.000 0.941 1388 M CB 1.614 34.168 32.600 -0.077 0.000 1.704 1388 M HN 0.548 nan 8.290 nan 0.000 0.479 1389 N N 2.958 121.470 118.700 -0.312 0.000 2.229 1389 N HA 0.811 5.549 4.740 -0.003 0.000 0.298 1389 N C -1.685 173.631 175.510 -0.323 0.000 1.114 1389 N CA 0.046 52.850 53.050 -0.410 0.000 0.776 1389 N CB 1.985 40.343 38.487 -0.215 0.000 1.501 1389 N HN 0.666 nan 8.380 nan 0.000 0.474 1390 F N -0.533 119.336 119.950 -0.136 0.000 3.913 1390 F HA 0.607 5.132 4.527 -0.003 0.000 0.331 1390 F C -1.405 174.344 175.800 -0.084 0.000 1.092 1390 F CA -0.997 56.934 58.000 -0.115 0.000 0.849 1390 F CB 0.654 39.599 39.000 -0.091 0.000 1.719 1390 F HN 0.381 nan 8.300 nan 0.000 0.510 1391 E N 1.160 121.641 120.200 0.468 0.000 2.677 1391 E HA 0.523 4.871 4.350 -0.003 0.000 0.330 1391 E C -2.261 174.271 176.600 -0.114 0.000 0.933 1391 E CA -0.722 55.778 56.400 0.166 0.000 0.797 1391 E CB 2.071 31.807 29.700 0.061 0.000 1.326 1391 E HN 1.159 nan 8.360 nan 0.000 0.404 1392 V N 2.075 121.797 119.914 -0.320 0.000 2.555 1392 V HA 0.692 4.810 4.120 -0.003 0.000 0.302 1392 V C -2.198 173.606 176.094 -0.483 0.000 1.038 1392 V CA -1.985 59.958 62.300 -0.595 0.000 0.887 1392 V CB 1.490 32.630 31.823 -1.139 0.000 0.991 1392 V HN 0.611 nan 8.190 nan 0.000 0.434 1393 P HA 0.143 nan 4.420 nan 0.000 0.271 1393 P C -0.544 176.813 177.300 0.094 0.000 1.535 1393 P CA 0.460 63.505 63.100 -0.092 0.000 0.820 1393 P CB -0.888 30.780 31.700 -0.053 0.000 1.606 1394 F N -2.745 117.209 119.950 0.007 0.000 2.715 1394 F HA 0.764 5.289 4.527 -0.003 0.000 0.318 1394 F C -1.342 174.452 175.800 -0.010 0.000 1.141 1394 F CA -2.404 55.638 58.000 0.070 0.000 0.950 1394 F CB 0.501 39.490 39.000 -0.019 0.000 1.374 1394 F HN -0.187 nan 8.300 nan 0.000 0.477 1395 A N 1.946 124.952 122.820 0.311 0.000 2.415 1395 A HA 0.559 4.878 4.320 -0.003 0.000 0.309 1395 A C -2.155 175.645 177.584 0.360 0.000 1.356 1395 A CA -1.441 50.675 52.037 0.133 0.000 0.998 1395 A CB -0.520 18.392 19.000 -0.146 0.000 1.145 1395 A HN 0.607 nan 8.150 nan 0.000 0.545 1396 P HA -0.186 nan 4.420 nan 0.000 0.222 1396 P C 1.519 178.949 177.300 0.216 0.000 1.142 1396 P CA 1.863 65.160 63.100 0.329 0.000 0.788 1396 P CB 0.234 32.027 31.700 0.155 0.000 0.767 1397 S N -2.519 113.267 115.700 0.143 0.000 2.501 1397 S HA 0.235 4.703 4.470 -0.003 0.000 0.220 1397 S C 1.760 176.412 174.600 0.087 0.000 0.997 1397 S CA 0.707 58.971 58.200 0.106 0.000 0.919 1397 S CB -0.892 62.381 63.200 0.121 0.000 0.778 1397 S HN 0.268 nan 8.310 nan 0.000 0.523 1398 G N 0.480 109.323 108.800 0.071 0.000 2.195 1398 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.224 1398 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.224 1398 G C -0.134 174.756 174.900 -0.017 0.000 0.990 1398 G CA -0.032 45.075 45.100 0.012 0.000 0.639 1398 G HN 0.705 nan 8.290 nan 0.000 0.514 1399 L N 1.482 122.704 121.223 -0.002 0.000 2.455 1399 L HA 0.666 5.004 4.340 -0.003 0.000 0.272 1399 L C 0.076 176.852 176.870 -0.157 0.000 1.174 1399 L CA 0.066 54.884 54.840 -0.037 0.000 0.869 1399 L CB 0.503 42.579 42.059 0.030 0.000 1.130 1399 L HN 0.113 nan 8.230 nan 0.000 0.474 1400 K N 4.061 124.400 120.400 -0.102 0.000 2.468 1400 K HA 0.430 4.748 4.320 -0.003 0.000 0.252 1400 K C -1.514 175.134 176.600 0.081 0.000 0.932 1400 K CA -0.817 55.425 56.287 -0.074 0.000 0.794 1400 K CB 2.328 34.829 32.500 0.002 0.000 1.241 1400 K HN 0.411 nan 8.250 nan 0.000 0.428 1401 V N 4.733 124.813 119.914 0.276 0.000 2.455 1401 V HA 0.163 4.281 4.120 -0.003 0.000 0.273 1401 V C 1.414 177.635 176.094 0.212 0.000 1.045 1401 V CA -0.125 62.362 62.300 0.311 0.000 0.976 1401 V CB 1.001 33.098 31.823 0.457 0.000 0.993 1401 V HN 0.584 nan 8.190 nan 0.000 0.475 1402 R N 3.521 124.068 120.500 0.079 0.000 2.156 1402 R HA 0.179 4.518 4.340 -0.003 0.000 0.207 1402 R C -0.158 176.300 176.300 0.263 0.000 1.040 1402 R CA 0.725 56.896 56.100 0.119 0.000 1.013 1402 R CB 0.186 30.531 30.300 0.076 0.000 0.931 1402 R HN 0.846 nan 8.270 nan 0.000 0.465 1403 Y N -3.305 117.103 120.300 0.180 0.000 2.717 1403 Y HA 0.469 5.017 4.550 -0.003 0.000 0.345 1403 Y C -1.849 174.218 175.900 0.279 0.000 1.187 1403 Y CA -1.910 56.295 58.100 0.174 0.000 1.128 1403 Y CB 0.514 39.036 38.460 0.103 0.000 1.360 1403 Y HN -0.211 nan 8.280 nan 0.000 0.467 1404 L N 3.092 124.599 121.223 0.473 0.000 2.514 1404 L HA 0.546 4.884 4.340 -0.003 0.000 0.257 1404 L C -1.317 175.735 176.870 0.304 0.000 1.101 1404 L CA -0.997 54.088 54.840 0.408 0.000 0.911 1404 L CB 1.098 43.308 42.059 0.251 0.000 1.162 1404 L HN 0.685 nan 8.230 nan 0.000 0.477 1405 K N 2.740 123.349 120.400 0.348 0.000 2.401 1405 K HA 0.582 4.900 4.320 -0.003 0.000 0.278 1405 K C -0.697 175.959 176.600 0.093 0.000 1.018 1405 K CA -0.223 56.163 56.287 0.165 0.000 0.981 1405 K CB 1.113 33.683 32.500 0.118 0.000 0.933 1405 K HN 0.422 nan 8.250 nan 0.000 0.477 1406 V N 1.855 121.780 119.914 0.018 0.000 2.588 1406 V HA 0.561 4.679 4.120 -0.003 0.000 0.304 1406 V C -1.016 175.043 176.094 -0.059 0.000 1.042 1406 V CA -1.091 61.167 62.300 -0.071 0.000 0.877 1406 V CB 1.000 32.728 31.823 -0.158 0.000 0.996 1406 V HN 0.677 nan 8.190 nan 0.000 0.425 1407 F N 2.899 122.702 119.950 -0.246 0.000 2.588 1407 F HA 0.733 5.258 4.527 -0.004 0.000 0.318 1407 F C -0.678 174.998 175.800 -0.206 0.000 1.155 1407 F CA -0.677 57.183 58.000 -0.233 0.000 0.967 1407 F CB 2.152 41.070 39.000 -0.137 0.000 1.236 1407 F HN 0.681 nan 8.300 nan 0.000 0.455 1408 E N 8.753 128.290 120.200 -1.105 0.000 2.101 1408 E HA 0.444 4.793 4.350 -0.003 0.000 0.260 1408 E C -2.237 173.795 176.600 -0.947 0.000 0.897 1408 E CA -2.639 53.338 56.400 -0.705 0.000 0.744 1408 E CB 1.444 31.119 29.700 -0.041 0.000 1.140 1408 E HN 0.297 nan 8.360 nan 0.000 0.419 1409 P HA -0.198 nan 4.420 nan 0.000 0.216 1409 P C 0.945 178.149 177.300 -0.159 0.000 1.153 1409 P CA 1.108 63.998 63.100 -0.351 0.000 0.848 1409 P CB 0.390 32.080 31.700 -0.016 0.000 0.787 1410 K N 0.451 120.782 120.400 -0.115 0.000 1.973 1410 K HA -0.039 4.279 4.320 -0.003 0.000 0.210 1410 K C 1.326 177.891 176.600 -0.057 0.000 1.045 1410 K CA 0.973 57.224 56.287 -0.060 0.000 0.937 1410 K CB -1.292 31.185 32.500 -0.038 0.000 0.721 1410 K HN 0.049 nan 8.250 nan 0.000 0.438 1411 L N 1.425 122.617 121.223 -0.050 0.000 2.476 1411 L HA 0.075 4.413 4.340 -0.003 0.000 0.255 1411 L C 1.343 178.205 176.870 -0.012 0.000 1.218 1411 L CA 0.257 55.074 54.840 -0.039 0.000 0.819 1411 L CB 0.246 42.261 42.059 -0.073 0.000 1.119 1411 L HN 0.463 nan 8.230 nan 0.000 0.485 1412 N N -0.615 118.091 118.700 0.011 0.000 2.300 1412 N HA -0.124 4.615 4.740 -0.003 0.000 0.179 1412 N C 0.352 175.952 175.510 0.150 0.000 1.016 1412 N CA 0.178 53.262 53.050 0.057 0.000 0.876 1412 N CB -0.421 38.093 38.487 0.045 0.000 0.979 1412 N HN 0.557 nan 8.380 nan 0.000 0.432 1413 Y N 0.543 120.794 120.300 -0.080 0.000 2.578 1413 Y HA 0.272 4.820 4.550 -0.003 0.000 0.339 1413 Y C 0.382 176.253 175.900 -0.049 0.000 1.231 1413 Y CA -1.104 56.968 58.100 -0.046 0.000 1.461 1413 Y CB 0.454 38.893 38.460 -0.034 0.000 1.323 1413 Y HN 0.120 nan 8.280 nan 0.000 0.590 1414 S N 0.908 116.649 115.700 0.068 0.000 2.745 1414 S HA 0.252 4.720 4.470 -0.003 0.000 0.306 1414 S C 0.122 174.695 174.600 -0.044 0.000 1.137 1414 S CA -0.393 57.814 58.200 0.013 0.000 0.900 1414 S CB 1.660 64.879 63.200 0.032 0.000 1.176 1414 S HN 0.795 nan 8.310 nan 0.000 0.520 1415 D N 0.670 121.033 120.400 -0.061 0.000 2.154 1415 D HA -0.178 4.461 4.640 -0.003 0.000 0.190 1415 D C 1.647 178.015 176.300 0.113 0.000 1.003 1415 D CA 2.257 56.255 54.000 -0.002 0.000 0.849 1415 D CB -0.805 40.004 40.800 0.016 0.000 0.942 1415 D HN 0.770 nan 8.370 nan 0.000 0.446 1416 H N -0.432 118.650 119.070 0.019 0.000 2.472 1416 H HA -0.130 4.424 4.556 -0.003 0.000 0.296 1416 H C 0.831 176.177 175.328 0.030 0.000 1.120 1416 H CA 1.029 57.089 56.048 0.020 0.000 1.250 1416 H CB 0.153 29.933 29.762 0.031 0.000 1.366 1416 H HN 0.227 nan 8.280 nan 0.000 0.524 1417 D N 0.302 120.812 120.400 0.182 0.000 2.354 1417 D HA 0.053 4.691 4.640 -0.003 0.000 0.209 1417 D C 0.283 176.668 176.300 0.141 0.000 1.015 1417 D CA 0.222 54.321 54.000 0.165 0.000 0.867 1417 D CB 0.540 41.484 40.800 0.241 0.000 0.933 1417 D HN 0.053 nan 8.370 nan 0.000 0.520 1418 V N 1.710 121.677 119.914 0.088 0.000 2.481 1418 V HA 0.237 4.355 4.120 -0.003 0.000 0.286 1418 V C 0.025 176.093 176.094 -0.043 0.000 1.042 1418 V CA -0.797 61.527 62.300 0.039 0.000 0.928 1418 V CB 1.847 33.666 31.823 -0.007 0.000 0.986 1418 V HN -0.152 nan 8.190 nan 0.000 0.462 1419 I N 4.997 125.513 120.570 -0.089 0.000 2.304 1419 I HA 0.379 4.547 4.170 -0.003 0.000 0.291 1419 I C 0.252 176.148 176.117 -0.368 0.000 1.018 1419 I CA -0.133 61.018 61.300 -0.248 0.000 1.260 1419 I CB 0.780 38.665 38.000 -0.193 0.000 1.390 1419 I HN 0.486 nan 8.210 nan 0.000 0.475 1420 K N 5.617 125.743 120.400 -0.456 0.000 2.274 1420 K HA 0.523 4.841 4.320 -0.003 0.000 0.262 1420 K C -1.564 174.740 176.600 -0.493 0.000 0.961 1420 K CA -0.499 55.567 56.287 -0.369 0.000 0.833 1420 K CB 1.497 33.898 32.500 -0.166 0.000 1.102 1420 K HN 0.414 nan 8.250 nan 0.000 0.436 1421 W N 2.358 123.543 121.300 -0.192 0.000 2.587 1421 W HA 0.503 5.161 4.660 -0.003 0.000 0.324 1421 W C -0.389 176.128 176.519 -0.002 0.000 1.040 1421 W CA -0.859 56.440 57.345 -0.077 0.000 1.222 1421 W CB 1.533 30.980 29.460 -0.021 0.000 1.381 1421 W HN 0.195 nan 8.180 nan 0.000 0.483 1422 V N 3.613 123.660 119.914 0.222 0.000 3.103 1422 V HA 0.796 4.915 4.120 -0.003 0.000 0.318 1422 V C -0.906 175.180 176.094 -0.013 0.000 1.114 1422 V CA -1.359 60.979 62.300 0.064 0.000 1.020 1422 V CB 2.158 33.948 31.823 -0.055 0.000 1.085 1422 V HN 0.628 nan 8.190 nan 0.000 0.446 1423 R N 2.501 122.914 120.500 -0.144 0.000 3.170 1423 R HA 0.298 4.636 4.340 -0.003 0.000 0.257 1423 R C -2.523 173.737 176.300 -0.067 0.000 1.139 1423 R CA -0.517 55.489 56.100 -0.157 0.000 1.158 1423 R CB 0.888 31.177 30.300 -0.018 0.000 1.269 1423 R HN 0.678 nan 8.270 nan 0.000 0.459 1424 Y N 4.701 125.040 120.300 0.064 0.000 2.330 1424 Y HA 0.522 5.071 4.550 -0.003 0.000 0.336 1424 Y C 0.498 176.401 175.900 0.005 0.000 1.036 1424 Y CA -1.104 57.030 58.100 0.055 0.000 1.125 1424 Y CB 1.381 39.895 38.460 0.090 0.000 1.194 1424 Y HN 0.384 nan 8.280 nan 0.000 0.469 1425 I N 3.032 123.692 120.570 0.149 0.000 2.623 1425 I HA 0.293 4.461 4.170 -0.003 0.000 0.275 1425 I C 0.204 176.326 176.117 0.008 0.000 1.108 1425 I CA -0.407 60.917 61.300 0.040 0.000 1.120 1425 I CB 0.965 38.980 38.000 0.025 0.000 1.249 1425 I HN 0.838 nan 8.210 nan 0.000 0.500 1426 G N 5.347 114.104 108.800 -0.071 0.000 2.338 1426 G HA2 0.470 4.428 3.960 -0.003 0.000 0.295 1426 G HA3 0.470 4.428 3.960 -0.003 0.000 0.295 1426 G C -0.325 174.569 174.900 -0.011 0.000 1.132 1426 G CA -0.265 44.784 45.100 -0.086 0.000 0.922 1426 G HN 0.503 nan 8.290 nan 0.000 0.427 1427 R N 0.960 121.494 120.500 0.057 0.000 2.719 1427 R HA 0.695 5.033 4.340 -0.003 0.000 0.233 1427 R C 0.168 176.536 176.300 0.113 0.000 1.257 1427 R CA -0.514 55.649 56.100 0.104 0.000 1.109 1427 R CB 1.179 31.489 30.300 0.018 0.000 1.447 1427 R HN 0.599 nan 8.270 nan 0.000 0.537 1428 S N -0.734 114.892 115.700 -0.125 0.000 2.500 1428 S HA 0.617 5.085 4.470 -0.003 0.000 0.301 1428 S C 0.015 174.483 174.600 -0.220 0.000 1.092 1428 S CA -0.602 57.388 58.200 -0.351 0.000 1.030 1428 S CB 2.068 64.454 63.200 -1.357 0.000 1.031 1428 S HN 0.747 nan 8.310 nan 0.000 0.483 1429 G N 1.556 110.289 108.800 -0.113 0.000 2.968 1429 G HA2 0.351 4.309 3.960 -0.003 0.000 0.206 1429 G HA3 0.351 4.309 3.960 -0.003 0.000 0.206 1429 G C -0.224 174.648 174.900 -0.046 0.000 2.051 1429 G CA -0.559 44.495 45.100 -0.077 0.000 0.773 1429 G HN 0.655 nan 8.290 nan 0.000 0.741 1430 I N 1.564 122.125 120.570 -0.015 0.000 2.270 1430 I HA 0.223 4.391 4.170 -0.003 0.000 0.300 1430 I C -1.182 174.949 176.117 0.024 0.000 1.186 1430 I CA -0.772 60.530 61.300 0.003 0.000 1.431 1430 I CB -0.995 37.010 38.000 0.009 0.000 1.485 1430 I HN 0.190 nan 8.210 nan 0.000 0.650 1431 Y N 5.678 125.922 120.300 -0.093 0.000 2.721 1431 Y HA 0.396 4.945 4.550 -0.003 0.000 0.328 1431 Y C 0.059 175.937 175.900 -0.037 0.000 1.003 1431 Y CA -0.590 57.470 58.100 -0.066 0.000 1.275 1431 Y CB 0.649 39.021 38.460 -0.148 0.000 1.097 1431 Y HN 0.527 nan 8.280 nan 0.000 0.514 1432 E N 2.244 122.460 120.200 0.027 0.000 2.266 1432 E HA 0.491 4.839 4.350 -0.003 0.000 0.268 1432 E C -1.063 175.549 176.600 0.019 0.000 0.879 1432 E CA -1.215 55.215 56.400 0.049 0.000 0.762 1432 E CB 2.141 31.850 29.700 0.014 0.000 1.199 1432 E HN 0.240 nan 8.360 nan 0.000 0.422 1433 T N 2.034 116.623 114.554 0.059 0.000 2.792 1433 T HA 0.252 4.600 4.350 -0.003 0.000 0.280 1433 T C -0.276 174.442 174.700 0.029 0.000 0.990 1433 T CA -0.886 61.242 62.100 0.047 0.000 0.960 1433 T CB 0.624 69.548 68.868 0.093 0.000 0.939 1433 T HN 0.166 nan 8.240 nan 0.000 0.439 1434 R N 2.042 122.547 120.500 0.008 0.000 2.480 1434 R HA 0.076 4.414 4.340 -0.003 0.000 0.303 1434 R C 0.530 176.834 176.300 0.006 0.000 0.985 1434 R CA -0.131 55.965 56.100 -0.007 0.000 1.051 1434 R CB -0.585 29.707 30.300 -0.014 0.000 0.935 1434 R HN 0.726 nan 8.270 nan 0.000 0.410 1435 C N 0.000 119.296 119.300 -0.006 0.000 2.653 1435 C HA 0.000 4.458 4.460 -0.003 0.000 0.325 1435 C CA 0.000 59.027 59.018 0.016 0.000 1.963 1435 C CB 0.000 27.737 27.740 -0.004 0.000 2.134 1435 C HN 0.000 nan 8.230 nan 0.000 0.568