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 3izi_1_B DATA FIRST_RESID 514 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 514 V HA 0.000 nan 4.120 nan 0.000 0.244 514 V C 0.000 176.094 176.094 0.000 0.000 1.182 514 V CA 0.000 62.300 62.300 0.000 0.000 1.235 514 V CB 0.000 31.825 31.823 0.003 0.000 1.184 515 L N 3.837 125.059 121.223 -0.002 0.000 2.334 515 L HA 0.625 4.965 4.340 -0.001 0.000 0.277 515 L C -2.016 174.851 176.870 -0.006 0.000 1.075 515 L CA -1.444 53.394 54.840 -0.003 0.000 0.804 515 L CB 0.255 42.309 42.059 -0.007 0.000 1.174 515 L HN 0.169 nan 8.230 nan 0.000 0.438 516 P HA 0.067 nan 4.420 nan 0.000 0.272 516 P C -0.635 176.659 177.300 -0.010 0.000 1.223 516 P CA -0.570 62.526 63.100 -0.006 0.000 0.784 516 P CB 0.578 32.276 31.700 -0.004 0.000 0.923 517 E N 1.884 122.078 120.200 -0.010 0.000 2.415 517 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 517 E C 0.627 177.220 176.600 -0.013 0.000 1.016 517 E CA 0.810 57.203 56.400 -0.012 0.000 0.924 517 E CB -0.438 29.256 29.700 -0.010 0.000 0.961 517 E HN 0.610 nan 8.360 nan 0.000 0.459 518 N N 2.356 121.045 118.700 -0.017 0.000 2.990 518 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 518 N C -0.634 174.864 175.510 -0.019 0.000 1.452 518 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 518 N CB -1.139 37.341 38.487 -0.011 0.000 1.088 518 N HN 0.483 nan 8.380 nan 0.000 0.695 519 M N 2.607 122.197 119.600 -0.017 0.000 2.238 519 M HA 0.259 4.739 4.480 -0.001 0.000 0.350 519 M C -0.419 175.859 176.300 -0.037 0.000 1.321 519 M CA 0.493 55.784 55.300 -0.015 0.000 1.097 519 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 519 M HN 0.055 nan 8.290 nan 0.000 0.455 520 K N 4.209 124.586 120.400 -0.040 0.000 2.143 520 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 520 K C -0.639 175.871 176.600 -0.150 0.000 1.001 520 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 520 K CB 1.422 33.841 32.500 -0.135 0.000 1.047 520 K HN 0.635 nan 8.250 nan 0.000 0.458 521 R N 2.449 122.777 120.500 -0.287 0.000 2.628 521 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 521 R C -1.601 174.483 176.300 -0.360 0.000 0.980 521 R CA -0.586 55.399 56.100 -0.191 0.000 0.891 521 R CB 0.949 31.200 30.300 -0.083 0.000 1.188 521 R HN 0.534 nan 8.270 nan 0.000 0.450 522 Y N 4.576 124.886 120.300 0.018 0.000 2.446 522 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 522 Y C 0.262 176.168 175.900 0.010 0.000 0.984 522 Y CA -0.893 57.217 58.100 0.016 0.000 1.058 522 Y CB 2.210 40.684 38.460 0.024 0.000 1.220 522 Y HN 0.404 nan 8.280 nan 0.000 0.455 523 M N 1.103 120.787 119.600 0.140 0.000 2.534 523 M HA 0.754 5.234 4.480 -0.001 0.000 0.280 523 M C 0.043 176.377 176.300 0.057 0.000 1.217 523 M CA -0.203 55.144 55.300 0.078 0.000 0.893 523 M CB 1.311 33.936 32.600 0.042 0.000 1.730 523 M HN 0.845 nan 8.290 nan 0.000 0.483 524 G N 3.038 111.858 108.800 0.034 0.000 2.629 524 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 524 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 524 G C 0.511 175.417 174.900 0.010 0.000 1.217 524 G CA 1.525 46.631 45.100 0.010 0.000 0.994 524 G HN 1.172 nan 8.290 nan 0.000 0.549 525 R N 1.027 121.530 120.500 0.005 0.000 2.159 525 R HA -0.004 4.335 4.340 -0.001 0.000 0.237 525 R C 2.130 178.449 176.300 0.031 0.000 1.131 525 R CA 2.631 58.734 56.100 0.005 0.000 0.982 525 R CB -0.622 29.678 30.300 0.001 0.000 0.868 525 R HN 0.603 nan 8.270 nan 0.000 0.453 526 D N -0.421 120.020 120.400 0.067 0.000 2.162 526 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 526 D C 1.620 178.016 176.300 0.161 0.000 0.967 526 D CA 1.380 55.464 54.000 0.141 0.000 0.840 526 D CB -0.139 40.773 40.800 0.187 0.000 0.972 526 D HN 0.354 nan 8.370 nan 0.000 0.482 527 A N 1.095 123.996 122.820 0.133 0.000 1.930 527 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 527 A C 2.146 179.723 177.584 -0.012 0.000 1.175 527 A CA 1.154 53.242 52.037 0.085 0.000 0.627 527 A CB -0.236 18.816 19.000 0.086 0.000 0.815 527 A HN 0.064 nan 8.150 nan 0.000 0.443 528 Q N -0.703 119.094 119.800 -0.006 0.000 2.062 528 Q HA -0.099 4.241 4.340 -0.001 0.000 0.196 528 Q C 2.276 178.250 176.000 -0.043 0.000 0.967 528 Q CA 1.377 57.164 55.803 -0.026 0.000 0.832 528 Q CB -0.412 28.312 28.738 -0.022 0.000 0.899 528 Q HN 0.750 nan 8.270 nan 0.000 0.442 529 R N 0.295 120.776 120.500 -0.032 0.000 2.083 529 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 529 R C 2.285 178.522 176.300 -0.104 0.000 1.137 529 R CA 1.366 57.439 56.100 -0.044 0.000 0.951 529 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 529 R HN 0.184 nan 8.270 nan 0.000 0.434 530 M N 1.032 120.538 119.600 -0.157 0.000 2.086 530 M HA -0.162 4.318 4.480 -0.001 0.000 0.261 530 M C 1.155 177.249 176.300 -0.343 0.000 1.067 530 M CA 1.813 56.910 55.300 -0.338 0.000 1.116 530 M CB -0.768 31.399 32.600 -0.720 0.000 1.348 530 M HN 0.135 nan 8.290 nan 0.000 0.407 531 N N 0.864 119.426 118.700 -0.230 0.000 2.166 531 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 531 N C 1.809 177.235 175.510 -0.141 0.000 1.019 531 N CA 1.439 54.389 53.050 -0.166 0.000 0.856 531 N CB -0.463 37.971 38.487 -0.088 0.000 0.993 531 N HN 0.482 nan 8.380 nan 0.000 0.426 532 I N 0.131 120.632 120.570 -0.115 0.000 2.315 532 I HA -0.197 3.972 4.170 -0.001 0.000 0.248 532 I C 1.610 177.657 176.117 -0.117 0.000 1.117 532 I CA 0.542 61.791 61.300 -0.084 0.000 1.404 532 I CB -0.035 37.935 38.000 -0.051 0.000 1.071 532 I HN 0.019 nan 8.210 nan 0.000 0.419 533 L N 0.659 121.782 121.223 -0.167 0.000 2.093 533 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 533 L C 2.662 179.377 176.870 -0.259 0.000 1.085 533 L CA 1.968 56.695 54.840 -0.189 0.000 0.755 533 L CB -1.264 40.674 42.059 -0.201 0.000 0.904 533 L HN 0.184 nan 8.230 nan 0.000 0.435 534 A N -0.625 121.957 122.820 -0.397 0.000 1.858 534 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 534 A C 2.409 179.900 177.584 -0.157 0.000 1.190 534 A CA 1.724 53.518 52.037 -0.405 0.000 0.617 534 A CB -1.342 17.405 19.000 -0.422 0.000 0.827 534 A HN 0.419 nan 8.150 nan 0.000 0.443 535 G N -0.929 107.799 108.800 -0.120 0.000 2.402 535 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 535 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 535 G C 1.746 176.609 174.900 -0.060 0.000 1.162 535 G CA 0.985 46.045 45.100 -0.066 0.000 0.777 535 G HN 0.551 nan 8.290 nan 0.000 0.539 536 R N 0.004 120.461 120.500 -0.072 0.000 2.075 536 R HA 0.065 4.404 4.340 -0.001 0.000 0.232 536 R C 2.507 178.776 176.300 -0.052 0.000 1.126 536 R CA 1.042 57.106 56.100 -0.059 0.000 0.963 536 R CB -0.311 29.953 30.300 -0.058 0.000 0.858 536 R HN 0.406 nan 8.270 nan 0.000 0.435 537 I N 0.780 121.314 120.570 -0.060 0.000 2.226 537 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 537 I C 2.071 178.173 176.117 -0.026 0.000 1.100 537 I CA 0.824 62.101 61.300 -0.039 0.000 1.374 537 I CB -0.190 37.788 38.000 -0.036 0.000 1.057 537 I HN 0.212 nan 8.210 nan 0.000 0.413 538 I N 1.063 121.617 120.570 -0.026 0.000 2.179 538 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 538 I C 2.831 178.934 176.117 -0.023 0.000 1.088 538 I CA 1.777 63.066 61.300 -0.017 0.000 1.357 538 I CB -1.507 36.486 38.000 -0.013 0.000 1.051 538 I HN 0.186 nan 8.210 nan 0.000 0.409 539 A N 0.156 122.957 122.820 -0.032 0.000 1.969 539 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 539 A C 2.170 179.733 177.584 -0.035 0.000 1.169 539 A CA 1.174 53.189 52.037 -0.037 0.000 0.635 539 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 539 A HN 0.338 nan 8.150 nan 0.000 0.445 540 E N -0.298 119.882 120.200 -0.033 0.000 2.110 540 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 540 E C 2.085 178.670 176.600 -0.025 0.000 0.988 540 E CA 1.700 58.082 56.400 -0.030 0.000 0.804 540 E CB -0.610 29.073 29.700 -0.028 0.000 0.745 540 E HN 0.600 nan 8.360 nan 0.000 0.458 541 T N 0.743 115.284 114.554 -0.022 0.000 2.770 541 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 541 T C 2.121 176.809 174.700 -0.020 0.000 1.039 541 T CA 0.973 63.062 62.100 -0.018 0.000 1.142 541 T CB -0.099 68.762 68.868 -0.012 0.000 0.868 541 T HN -0.036 nan 8.240 nan 0.000 0.435 542 V N 2.758 122.659 119.914 -0.022 0.000 2.591 542 V HA -0.112 4.008 4.120 -0.001 0.000 0.249 542 V C 2.630 178.707 176.094 -0.028 0.000 1.053 542 V CA 1.501 63.787 62.300 -0.023 0.000 1.068 542 V CB -0.679 31.130 31.823 -0.023 0.000 0.689 542 V HN 0.522 nan 8.190 nan 0.000 0.462 543 R N 1.663 122.144 120.500 -0.033 0.000 2.200 543 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 543 R C 2.064 178.342 176.300 -0.037 0.000 1.127 543 R CA 1.731 57.808 56.100 -0.038 0.000 0.989 543 R CB -0.884 29.391 30.300 -0.042 0.000 0.869 543 R HN 0.598 nan 8.270 nan 0.000 0.459 544 S N 0.285 115.966 115.700 -0.033 0.000 2.555 544 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 544 S C 1.699 176.279 174.600 -0.033 0.000 0.978 544 S CA 0.823 59.003 58.200 -0.033 0.000 0.934 544 S CB -0.062 63.121 63.200 -0.028 0.000 0.766 544 S HN 0.587 nan 8.310 nan 0.000 0.533 545 T N -1.034 113.501 114.554 -0.030 0.000 3.060 545 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 545 T C 0.376 175.058 174.700 -0.031 0.000 1.079 545 T CA -0.496 61.588 62.100 -0.028 0.000 1.013 545 T CB -0.447 68.408 68.868 -0.021 0.000 0.975 545 T HN 0.279 nan 8.240 nan 0.000 0.518 546 L N 2.851 124.052 121.223 -0.036 0.000 2.462 546 L HA 0.522 4.862 4.340 -0.001 0.000 0.272 546 L C 0.702 177.544 176.870 -0.048 0.000 1.166 546 L CA 1.597 56.413 54.840 -0.039 0.000 0.880 546 L CB -0.670 41.363 42.059 -0.044 0.000 1.142 546 L HN 0.703 nan 8.230 nan 0.000 0.473 547 G N 4.046 112.820 108.800 -0.042 0.000 2.663 547 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.686 547 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.686 547 G C -2.116 172.745 174.900 -0.064 0.000 1.288 547 G CA -0.455 44.612 45.100 -0.055 0.000 0.836 547 G HN 0.482 nan 8.290 nan 0.000 0.584 548 P HA -0.009 nan 4.420 nan 0.000 0.219 548 P C 1.370 178.554 177.300 -0.192 0.000 1.146 548 P CA 1.477 64.509 63.100 -0.115 0.000 0.808 548 P CB 0.054 31.606 31.700 -0.247 0.000 0.779 549 K N -0.780 119.482 120.400 -0.230 0.000 2.437 549 K HA 0.266 4.586 4.320 -0.001 0.000 0.205 549 K C 0.931 177.469 176.600 -0.103 0.000 1.026 549 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 549 K CB -0.301 32.070 32.500 -0.214 0.000 0.863 549 K HN 0.016 nan 8.250 nan 0.000 0.502 550 G N 0.525 109.277 108.800 -0.079 0.000 2.594 550 G HA2 0.167 4.127 3.960 -0.001 0.000 0.243 550 G HA3 0.167 4.127 3.960 -0.001 0.000 0.243 550 G C 0.037 174.913 174.900 -0.040 0.000 1.229 550 G CA -0.385 44.683 45.100 -0.053 0.000 0.843 550 G HN -0.020 nan 8.290 nan 0.000 0.578 551 M N 0.074 119.654 119.600 -0.033 0.000 2.705 551 M HA 0.401 4.880 4.480 -0.001 0.000 0.272 551 M C -0.481 175.806 176.300 -0.021 0.000 1.172 551 M CA -0.576 54.708 55.300 -0.026 0.000 0.901 551 M CB 1.234 33.818 32.600 -0.027 0.000 1.516 551 M HN 0.344 nan 8.290 nan 0.000 0.530 552 D N 0.555 120.944 120.400 -0.019 0.000 2.326 552 D HA 0.473 5.113 4.640 -0.001 0.000 0.248 552 D C -0.531 175.757 176.300 -0.019 0.000 1.001 552 D CA -0.334 53.655 54.000 -0.017 0.000 0.961 552 D CB 1.270 42.060 40.800 -0.017 0.000 1.183 552 D HN 0.089 nan 8.370 nan 0.000 0.502 553 K N 0.776 121.165 120.400 -0.019 0.000 2.259 553 K HA 0.433 4.753 4.320 -0.001 0.000 0.252 553 K C -0.580 176.006 176.600 -0.024 0.000 0.936 553 K CA -0.651 55.624 56.287 -0.019 0.000 0.810 553 K CB 2.309 34.800 32.500 -0.015 0.000 1.143 553 K HN 0.428 nan 8.250 nan 0.000 0.427 554 M N 4.052 123.637 119.600 -0.026 0.000 2.036 554 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 554 M C -1.544 174.740 176.300 -0.026 0.000 1.012 554 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 554 M CB 0.314 32.893 32.600 -0.036 0.000 1.423 554 M HN 0.333 nan 8.290 nan 0.000 0.405 555 L N 5.966 127.174 121.223 -0.025 0.000 2.265 555 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 555 L C -0.820 176.041 176.870 -0.016 0.000 1.033 555 L CA -0.236 54.594 54.840 -0.016 0.000 0.814 555 L CB 1.665 43.718 42.059 -0.010 0.000 1.203 555 L HN 0.415 nan 8.230 nan 0.000 0.423 556 V N 2.953 122.860 119.914 -0.012 0.000 2.409 556 V HA 0.363 4.483 4.120 -0.001 0.000 0.291 556 V C -0.198 175.893 176.094 -0.004 0.000 1.020 556 V CA -0.947 61.347 62.300 -0.010 0.000 0.848 556 V CB 1.525 33.341 31.823 -0.011 0.000 0.990 556 V HN 0.789 nan 8.190 nan 0.000 0.430 557 D N 2.373 122.773 120.400 0.000 0.000 2.447 557 D HA 0.055 4.694 4.640 -0.001 0.000 0.265 557 D C 0.889 177.190 176.300 0.002 0.000 1.250 557 D CA -0.473 53.529 54.000 0.002 0.000 1.046 557 D CB 0.645 41.448 40.800 0.006 0.000 1.095 557 D HN 0.429 nan 8.370 nan 0.000 0.555 558 D N -1.690 118.711 120.400 0.002 0.000 2.219 558 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 558 D C 1.496 177.798 176.300 0.003 0.000 0.970 558 D CA 0.687 54.688 54.000 0.002 0.000 0.851 558 D CB 0.004 40.805 40.800 0.001 0.000 0.943 558 D HN 0.193 nan 8.370 nan 0.000 0.488 559 L N -1.099 120.127 121.223 0.005 0.000 2.558 559 L HA 0.346 4.685 4.340 -0.001 0.000 0.225 559 L C 2.044 178.919 176.870 0.008 0.000 1.128 559 L CA 0.975 55.819 54.840 0.007 0.000 0.868 559 L CB 0.130 42.194 42.059 0.008 0.000 1.006 559 L HN 0.276 nan 8.230 nan 0.000 0.454 560 G N -1.502 107.303 108.800 0.007 0.000 2.213 560 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 560 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 560 G C 0.321 175.228 174.900 0.011 0.000 0.992 560 G CA 0.113 45.217 45.100 0.007 0.000 0.632 560 G HN 0.333 nan 8.290 nan 0.000 0.511 561 D N 0.953 121.363 120.400 0.017 0.000 2.401 561 D HA 0.414 5.053 4.640 -0.001 0.000 0.254 561 D C 0.258 176.569 176.300 0.019 0.000 1.192 561 D CA 0.506 54.523 54.000 0.029 0.000 0.885 561 D CB 1.315 42.135 40.800 0.034 0.000 1.147 561 D HN 0.587 nan 8.370 nan 0.000 0.478 562 V N 4.888 124.809 119.914 0.012 0.000 2.555 562 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 562 V C -1.054 175.014 176.094 -0.044 0.000 1.038 562 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 562 V CB 1.905 33.695 31.823 -0.055 0.000 0.991 562 V HN 0.344 nan 8.190 nan 0.000 0.434 563 V N 6.931 126.822 119.914 -0.038 0.000 2.604 563 V HA 0.710 4.830 4.120 -0.001 0.000 0.305 563 V C -0.893 175.169 176.094 -0.053 0.000 1.043 563 V CA -0.232 62.049 62.300 -0.032 0.000 0.888 563 V CB 2.272 34.105 31.823 0.016 0.000 0.995 563 V HN 0.786 nan 8.190 nan 0.000 0.429 564 V N 5.853 125.726 119.914 -0.067 0.000 2.417 564 V HA 0.789 4.909 4.120 -0.001 0.000 0.291 564 V C 0.089 176.172 176.094 -0.018 0.000 1.024 564 V CA 0.020 62.289 62.300 -0.052 0.000 0.861 564 V CB 1.596 33.374 31.823 -0.075 0.000 0.985 564 V HN 1.075 nan 8.190 nan 0.000 0.436 565 T N 2.595 117.141 114.554 -0.013 0.000 2.769 565 T HA 0.312 4.661 4.350 -0.001 0.000 0.306 565 T C 0.070 174.766 174.700 -0.006 0.000 1.400 565 T CA -0.360 61.739 62.100 -0.003 0.000 1.007 565 T CB 1.995 70.865 68.868 0.003 0.000 1.392 565 T HN 0.656 nan 8.240 nan 0.000 0.500 566 N N 0.805 119.503 118.700 -0.002 0.000 2.210 566 N HA 0.081 4.821 4.740 -0.001 0.000 0.203 566 N C -0.314 175.193 175.510 -0.004 0.000 1.175 566 N CA 0.014 53.061 53.050 -0.005 0.000 0.894 566 N CB 0.472 38.956 38.487 -0.004 0.000 1.041 566 N HN 0.693 nan 8.380 nan 0.000 0.506 567 D N -0.100 120.300 120.400 -0.001 0.000 2.401 567 D HA 0.186 4.825 4.640 -0.001 0.000 0.254 567 D C 1.497 177.795 176.300 -0.003 0.000 1.192 567 D CA 0.291 54.291 54.000 -0.000 0.000 0.885 567 D CB 1.013 41.815 40.800 0.004 0.000 1.147 567 D HN 0.269 nan 8.370 nan 0.000 0.478 568 G N 2.612 111.409 108.800 -0.005 0.000 2.440 568 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 568 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 568 G C 1.513 176.411 174.900 -0.004 0.000 1.154 568 G CA 0.732 45.828 45.100 -0.007 0.000 0.767 568 G HN 0.488 nan 8.290 nan 0.000 0.552 569 V N 0.825 120.738 119.914 -0.002 0.000 2.270 569 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 569 V C 3.179 179.274 176.094 0.001 0.000 1.043 569 V CA 2.384 64.684 62.300 0.000 0.000 1.014 569 V CB -0.906 30.918 31.823 0.001 0.000 0.645 569 V HN 0.401 nan 8.190 nan 0.000 0.447 570 T N 0.389 114.944 114.554 0.002 0.000 2.720 570 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 570 T C 1.795 176.496 174.700 0.002 0.000 1.037 570 T CA 1.951 64.053 62.100 0.004 0.000 1.144 570 T CB -0.313 68.559 68.868 0.006 0.000 0.864 570 T HN 0.339 nan 8.240 nan 0.000 0.444 571 I N 0.249 120.818 120.570 -0.000 0.000 2.179 571 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 571 I C 2.114 178.230 176.117 -0.000 0.000 1.088 571 I CA 1.007 62.306 61.300 -0.002 0.000 1.357 571 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 571 I HN 0.156 nan 8.210 nan 0.000 0.409 572 L N 0.170 121.393 121.223 0.000 0.000 2.156 572 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 572 L C 2.492 179.364 176.870 0.003 0.000 1.095 572 L CA 1.495 56.336 54.840 0.002 0.000 0.770 572 L CB -0.957 41.103 42.059 0.001 0.000 0.914 572 L HN 0.152 nan 8.230 nan 0.000 0.439 573 R N -0.106 120.396 120.500 0.003 0.000 2.066 573 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 573 R C 1.924 178.226 176.300 0.004 0.000 1.131 573 R CA 1.238 57.340 56.100 0.004 0.000 0.955 573 R CB 0.044 30.346 30.300 0.004 0.000 0.851 573 R HN 0.319 nan 8.270 nan 0.000 0.432 574 E N 1.040 121.242 120.200 0.003 0.000 2.112 574 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 574 E C 1.207 177.809 176.600 0.002 0.000 0.979 574 E CA 0.536 56.939 56.400 0.004 0.000 0.814 574 E CB -0.355 29.348 29.700 0.004 0.000 0.762 574 E HN 0.462 nan 8.360 nan 0.000 0.460 575 M N 0.713 120.314 119.600 0.002 0.000 2.252 575 M HA 0.098 4.578 4.480 -0.001 0.000 0.333 575 M C 0.208 176.509 176.300 0.002 0.000 1.111 575 M CA 0.140 55.441 55.300 0.002 0.000 1.140 575 M CB 0.433 33.035 32.600 0.002 0.000 1.538 575 M HN -0.230 nan 8.290 nan 0.000 0.448 576 S N 2.358 118.058 115.700 0.000 0.000 2.955 576 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 576 S C -0.254 174.344 174.600 -0.003 0.000 1.198 576 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 576 S CB -0.355 62.842 63.200 -0.005 0.000 1.279 576 S HN 0.570 nan 8.310 nan 0.000 0.508 577 V N 3.394 123.308 119.914 0.000 0.000 2.686 577 V HA 0.215 4.334 4.120 -0.001 0.000 0.295 577 V C 1.394 177.478 176.094 -0.016 0.000 1.055 577 V CA -0.101 62.202 62.300 0.005 0.000 1.050 577 V CB 1.269 33.103 31.823 0.018 0.000 0.984 577 V HN 0.874 nan 8.190 nan 0.000 0.482 578 E N 1.938 122.111 120.200 -0.044 0.000 2.256 578 E HA 0.034 4.383 4.350 -0.001 0.000 0.198 578 E C 0.458 176.969 176.600 -0.149 0.000 0.908 578 E CA 0.194 56.519 56.400 -0.127 0.000 0.915 578 E CB 0.297 29.863 29.700 -0.224 0.000 0.890 578 E HN 0.743 nan 8.360 nan 0.000 0.484 579 H N 1.676 120.735 119.070 -0.019 0.000 2.848 579 H HA 0.074 4.630 4.556 -0.000 0.000 0.317 579 H C -1.676 173.637 175.328 -0.026 0.000 1.046 579 H CA -1.216 54.811 56.048 -0.036 0.000 1.470 579 H CB 1.137 30.864 29.762 -0.059 0.000 1.483 579 H HN 0.082 nan 8.280 nan 0.000 0.548 580 P HA -0.133 nan 4.420 nan 0.000 0.218 580 P C 1.334 178.660 177.300 0.042 0.000 1.148 580 P CA 1.492 64.621 63.100 0.048 0.000 0.822 580 P CB 0.269 31.993 31.700 0.039 0.000 0.784 581 A N 0.243 123.089 122.820 0.043 0.000 1.902 581 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 581 A C 2.331 179.923 177.584 0.013 0.000 1.181 581 A CA 2.154 54.197 52.037 0.011 0.000 0.623 581 A CB -1.601 17.380 19.000 -0.032 0.000 0.818 581 A HN 0.203 nan 8.150 nan 0.000 0.443 582 A N -0.279 122.560 122.820 0.033 0.000 1.933 582 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 582 A C 2.070 179.669 177.584 0.025 0.000 1.175 582 A CA 1.731 53.785 52.037 0.028 0.000 0.628 582 A CB -0.407 18.626 19.000 0.055 0.000 0.814 582 A HN 0.554 nan 8.150 nan 0.000 0.444 583 K N -0.994 119.424 120.400 0.031 0.000 2.147 583 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 583 K C 1.829 178.439 176.600 0.017 0.000 1.049 583 K CA 1.327 57.627 56.287 0.021 0.000 0.936 583 K CB -0.185 32.327 32.500 0.021 0.000 0.722 583 K HN 0.376 nan 8.250 nan 0.000 0.446 584 M N 0.344 119.954 119.600 0.017 0.000 2.334 584 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 584 M C 2.136 178.443 176.300 0.013 0.000 1.082 584 M CA 1.026 56.335 55.300 0.015 0.000 1.141 584 M CB -0.606 32.004 32.600 0.017 0.000 1.380 584 M HN 0.183 nan 8.290 nan 0.000 0.440 585 L N 0.336 121.565 121.223 0.010 0.000 2.083 585 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 585 L C 2.218 179.091 176.870 0.005 0.000 1.083 585 L CA 1.041 55.884 54.840 0.006 0.000 0.752 585 L CB -0.198 41.860 42.059 -0.001 0.000 0.899 585 L HN 0.181 nan 8.230 nan 0.000 0.433 586 I N -0.319 120.255 120.570 0.006 0.000 2.335 586 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 586 I C 2.368 178.488 176.117 0.005 0.000 1.129 586 I CA 1.039 62.342 61.300 0.005 0.000 1.402 586 I CB -0.341 37.664 38.000 0.007 0.000 1.069 586 I HN 0.305 nan 8.210 nan 0.000 0.424 587 E N 0.393 120.598 120.200 0.008 0.000 2.204 587 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 587 E C 2.401 179.005 176.600 0.007 0.000 0.990 587 E CA 1.061 57.466 56.400 0.008 0.000 0.821 587 E CB -0.207 29.499 29.700 0.010 0.000 0.750 587 E HN 0.384 nan 8.360 nan 0.000 0.477 588 V N 1.488 121.406 119.914 0.007 0.000 2.307 588 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 588 V C 2.480 178.575 176.094 0.002 0.000 1.045 588 V CA 1.755 64.059 62.300 0.006 0.000 1.024 588 V CB -0.853 30.973 31.823 0.005 0.000 0.651 588 V HN 0.241 nan 8.190 nan 0.000 0.449 589 A N -0.285 122.535 122.820 0.000 0.000 1.940 589 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 589 A C 2.295 179.879 177.584 0.001 0.000 1.176 589 A CA 2.030 54.066 52.037 -0.001 0.000 0.631 589 A CB -0.416 18.583 19.000 -0.002 0.000 0.814 589 A HN 0.557 nan 8.150 nan 0.000 0.446 590 K N -1.607 118.794 120.400 0.002 0.000 2.062 590 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 590 K C 2.137 178.739 176.600 0.003 0.000 1.051 590 K CA 1.533 57.822 56.287 0.003 0.000 0.941 590 K CB -0.366 32.136 32.500 0.004 0.000 0.719 590 K HN 0.422 nan 8.250 nan 0.000 0.440 591 T N 0.774 115.330 114.554 0.004 0.000 2.995 591 T HA -0.073 4.277 4.350 -0.001 0.000 0.269 591 T C 1.774 176.476 174.700 0.004 0.000 1.091 591 T CA 0.808 62.910 62.100 0.004 0.000 1.128 591 T CB 0.067 68.938 68.868 0.006 0.000 0.891 591 T HN 0.085 nan 8.240 nan 0.000 0.492 592 Q N 0.959 120.760 119.800 0.003 0.000 2.020 592 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 592 Q C 2.301 178.302 176.000 0.001 0.000 0.982 592 Q CA 1.238 57.042 55.803 0.001 0.000 0.838 592 Q CB -0.486 28.252 28.738 -0.001 0.000 0.899 592 Q HN 0.538 nan 8.270 nan 0.000 0.423 593 E N 0.904 121.105 120.200 0.001 0.000 2.106 593 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 593 E C 1.721 178.322 176.600 0.002 0.000 0.984 593 E CA 0.954 57.355 56.400 0.002 0.000 0.806 593 E CB 0.229 29.930 29.700 0.002 0.000 0.750 593 E HN 0.282 nan 8.360 nan 0.000 0.458 594 K N 0.074 120.476 120.400 0.002 0.000 2.076 594 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 594 K C 2.155 178.756 176.600 0.002 0.000 1.051 594 K CA 1.188 57.476 56.287 0.002 0.000 0.949 594 K CB -0.013 32.488 32.500 0.002 0.000 0.726 594 K HN -0.088 nan 8.250 nan 0.000 0.443 595 E N 0.337 120.538 120.200 0.002 0.000 2.060 595 E HA -0.097 4.253 4.350 -0.001 0.000 0.189 595 E C 1.595 178.196 176.600 0.002 0.000 0.974 595 E CA 1.104 57.506 56.400 0.003 0.000 0.808 595 E CB 0.515 30.217 29.700 0.003 0.000 0.768 595 E HN 0.160 nan 8.360 nan 0.000 0.453 596 V N -4.942 114.973 119.914 0.002 0.000 3.497 596 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 596 V C 1.389 177.484 176.094 0.003 0.000 1.474 596 V CA 0.742 63.044 62.300 0.003 0.000 1.025 596 V CB 0.494 32.319 31.823 0.003 0.000 0.820 596 V HN 0.304 nan 8.190 nan 0.000 0.437 597 G N 0.692 109.493 108.800 0.002 0.000 3.586 597 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 597 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 597 G C 0.203 175.104 174.900 0.002 0.000 1.411 597 G CA 0.498 45.599 45.100 0.003 0.000 0.898 597 G HN 0.628 nan 8.290 nan 0.000 0.575 598 D N 0.802 121.204 120.400 0.003 0.000 2.511 598 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 598 D C 1.519 177.818 176.300 -0.001 0.000 1.220 598 D CA 1.158 55.159 54.000 0.002 0.000 1.077 598 D CB 0.656 41.459 40.800 0.004 0.000 1.126 598 D HN 1.595 nan 8.370 nan 0.000 0.583 599 G N -0.627 108.170 108.800 -0.004 0.000 2.143 599 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.249 599 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.249 599 G C 1.036 175.930 174.900 -0.011 0.000 0.981 599 G CA 1.481 46.576 45.100 -0.008 0.000 0.665 599 G HN 0.593 nan 8.290 nan 0.000 0.528 600 T N -2.062 112.487 114.554 -0.009 0.000 2.588 600 T HA -0.150 4.200 4.350 -0.001 0.000 0.261 600 T C 2.202 176.893 174.700 -0.016 0.000 1.069 600 T CA 2.621 64.715 62.100 -0.010 0.000 1.172 600 T CB -1.008 67.856 68.868 -0.007 0.000 0.863 600 T HN 0.342 nan 8.240 nan 0.000 0.408 601 T N 1.848 116.392 114.554 -0.017 0.000 2.635 601 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 601 T C 2.275 176.956 174.700 -0.032 0.000 1.040 601 T CA 2.088 64.174 62.100 -0.024 0.000 1.156 601 T CB -1.241 67.613 68.868 -0.024 0.000 0.863 601 T HN 0.566 nan 8.240 nan 0.000 0.430 602 T N 1.998 116.533 114.554 -0.032 0.000 2.635 602 T HA -0.160 4.190 4.350 -0.001 0.000 0.267 602 T C 2.345 177.015 174.700 -0.050 0.000 1.040 602 T CA 1.526 63.601 62.100 -0.042 0.000 1.156 602 T CB -0.697 68.149 68.868 -0.036 0.000 0.863 602 T HN 0.473 nan 8.240 nan 0.000 0.430 603 A N 0.663 123.460 122.820 -0.038 0.000 1.933 603 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 603 A C 2.600 180.159 177.584 -0.042 0.000 1.175 603 A CA 1.438 53.452 52.037 -0.038 0.000 0.628 603 A CB -0.905 18.083 19.000 -0.020 0.000 0.814 603 A HN 0.378 nan 8.150 nan 0.000 0.444 604 V N -0.508 119.384 119.914 -0.036 0.000 2.358 604 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 604 V C 2.547 178.612 176.094 -0.048 0.000 1.047 604 V CA 1.834 64.113 62.300 -0.035 0.000 1.035 604 V CB -0.734 31.073 31.823 -0.026 0.000 0.658 604 V HN 0.362 nan 8.190 nan 0.000 0.452 605 V N 0.848 120.729 119.914 -0.055 0.000 2.307 605 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 605 V C 2.581 178.623 176.094 -0.088 0.000 1.045 605 V CA 2.183 64.445 62.300 -0.065 0.000 1.024 605 V CB -0.537 31.248 31.823 -0.063 0.000 0.651 605 V HN 0.564 nan 8.190 nan 0.000 0.449 606 V N -0.952 118.897 119.914 -0.109 0.000 2.626 606 V HA -0.065 4.055 4.120 -0.001 0.000 0.252 606 V C 2.403 178.396 176.094 -0.170 0.000 1.067 606 V CA 1.687 63.888 62.300 -0.165 0.000 1.081 606 V CB -1.231 30.471 31.823 -0.203 0.000 0.686 606 V HN 0.372 nan 8.190 nan 0.000 0.468 607 A N 1.570 124.324 122.820 -0.111 0.000 1.873 607 A HA 0.096 4.416 4.320 -0.001 0.000 0.215 607 A C 2.396 179.943 177.584 -0.062 0.000 1.186 607 A CA 1.854 53.846 52.037 -0.076 0.000 0.616 607 A CB -1.481 17.495 19.000 -0.040 0.000 0.823 607 A HN 0.670 nan 8.150 nan 0.000 0.442 608 G N -0.742 108.021 108.800 -0.061 0.000 2.422 608 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 608 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 608 G C 1.461 176.326 174.900 -0.057 0.000 1.140 608 G CA 1.288 46.356 45.100 -0.052 0.000 0.775 608 G HN 0.535 nan 8.290 nan 0.000 0.545 609 E N 0.337 120.488 120.200 -0.082 0.000 2.072 609 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 609 E C 2.527 179.070 176.600 -0.094 0.000 0.985 609 E CA 0.512 56.858 56.400 -0.091 0.000 0.801 609 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 609 E HN 0.419 nan 8.360 nan 0.000 0.452 610 L N -0.082 121.057 121.223 -0.141 0.000 2.046 610 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 610 L C 2.423 179.327 176.870 0.056 0.000 1.077 610 L CA 0.941 55.686 54.840 -0.158 0.000 0.747 610 L CB -0.383 41.500 42.059 -0.293 0.000 0.896 610 L HN 0.220 nan 8.230 nan 0.000 0.432 611 L N -0.763 120.484 121.223 0.040 0.000 2.046 611 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 611 L C 2.825 179.719 176.870 0.041 0.000 1.077 611 L CA 1.126 56.003 54.840 0.061 0.000 0.747 611 L CB -0.517 41.550 42.059 0.013 0.000 0.896 611 L HN 0.256 nan 8.230 nan 0.000 0.432 612 R N 0.344 120.850 120.500 0.010 0.000 2.083 612 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 612 R C 2.285 178.602 176.300 0.029 0.000 1.137 612 R CA 1.298 57.401 56.100 0.005 0.000 0.951 612 R CB 0.054 30.345 30.300 -0.015 0.000 0.851 612 R HN 0.148 nan 8.270 nan 0.000 0.434 613 K N 0.224 120.653 120.400 0.050 0.000 2.148 613 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 613 K C 1.944 178.624 176.600 0.134 0.000 1.050 613 K CA 1.184 57.524 56.287 0.089 0.000 0.942 613 K CB -0.327 32.234 32.500 0.102 0.000 0.724 613 K HN 0.272 nan 8.250 nan 0.000 0.446 614 A N 1.423 124.344 122.820 0.168 0.000 1.883 614 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 614 A C 2.198 179.806 177.584 0.040 0.000 1.186 614 A CA 1.914 54.027 52.037 0.126 0.000 0.624 614 A CB -0.465 18.616 19.000 0.135 0.000 0.822 614 A HN 0.456 nan 8.150 nan 0.000 0.444 615 E N -0.469 119.749 120.200 0.030 0.000 2.106 615 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 615 E C 2.003 178.608 176.600 0.008 0.000 0.984 615 E CA 1.125 57.529 56.400 0.006 0.000 0.806 615 E CB -0.149 29.551 29.700 0.001 0.000 0.750 615 E HN 0.750 nan 8.360 nan 0.000 0.458 616 E N -0.086 120.126 120.200 0.021 0.000 2.070 616 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 616 E C 1.910 178.522 176.600 0.019 0.000 1.004 616 E CA 1.142 57.554 56.400 0.021 0.000 0.805 616 E CB 0.050 29.767 29.700 0.030 0.000 0.744 616 E HN 0.209 nan 8.360 nan 0.000 0.451 617 L N 0.278 121.516 121.223 0.025 0.000 2.109 617 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 617 L C 2.261 179.126 176.870 -0.008 0.000 1.086 617 L CA 0.961 55.810 54.840 0.015 0.000 0.760 617 L CB -0.691 41.379 42.059 0.019 0.000 0.910 617 L HN 0.233 nan 8.230 nan 0.000 0.437 618 L N -0.654 120.557 121.223 -0.021 0.000 2.083 618 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 618 L C 2.120 178.972 176.870 -0.030 0.000 1.083 618 L CA 1.649 56.463 54.840 -0.043 0.000 0.752 618 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 618 L HN 0.279 nan 8.230 nan 0.000 0.433 619 D N -1.811 118.580 120.400 -0.015 0.000 2.249 619 D HA -0.110 4.529 4.640 -0.001 0.000 0.205 619 D C 1.778 178.076 176.300 -0.003 0.000 0.962 619 D CA 0.470 54.465 54.000 -0.009 0.000 0.860 619 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 619 D HN 0.192 nan 8.370 nan 0.000 0.505 620 Q N 0.142 119.942 119.800 0.001 0.000 2.373 620 Q HA 0.060 4.399 4.340 -0.001 0.000 0.206 620 Q C 0.004 176.008 176.000 0.007 0.000 0.942 620 Q CA 0.132 55.939 55.803 0.006 0.000 0.953 620 Q CB 0.204 28.949 28.738 0.012 0.000 1.022 620 Q HN 0.252 nan 8.270 nan 0.000 0.502 621 N N -0.855 117.847 118.700 0.003 0.000 2.861 621 N HA -0.139 4.601 4.740 -0.001 0.000 0.247 621 N C -1.582 173.939 175.510 0.019 0.000 1.117 621 N CA 0.262 53.318 53.050 0.010 0.000 0.703 621 N CB -1.070 37.424 38.487 0.013 0.000 1.052 621 N HN -0.046 nan 8.380 nan 0.000 0.555 622 V N 1.823 121.743 119.914 0.010 0.000 2.334 622 V HA 0.230 4.350 4.120 -0.001 0.000 0.281 622 V C 0.621 176.727 176.094 0.019 0.000 1.016 622 V CA -0.870 61.441 62.300 0.019 0.000 0.832 622 V CB 1.246 33.072 31.823 0.004 0.000 0.999 622 V HN 0.306 nan 8.190 nan 0.000 0.439 623 H N 7.784 126.834 119.070 -0.033 0.000 2.928 623 H HA 0.097 4.653 4.556 -0.000 0.000 0.338 623 H C -1.731 173.566 175.328 -0.053 0.000 1.047 623 H CA -1.268 54.759 56.048 -0.035 0.000 1.435 623 H CB 1.946 31.691 29.762 -0.029 0.000 1.428 623 H HN 0.351 nan 8.280 nan 0.000 0.590 624 P HA -0.188 nan 4.420 nan 0.000 0.217 624 P C 1.402 178.729 177.300 0.046 0.000 1.148 624 P CA 2.461 65.500 63.100 -0.102 0.000 0.834 624 P CB 0.018 31.609 31.700 -0.182 0.000 0.783 625 T N -4.100 110.631 114.554 0.295 0.000 2.995 625 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 625 T C 1.624 176.347 174.700 0.039 0.000 1.091 625 T CA 0.808 62.992 62.100 0.141 0.000 1.128 625 T CB -0.940 67.987 68.868 0.099 0.000 0.891 625 T HN -0.048 nan 8.240 nan 0.000 0.492 626 I N 0.876 121.474 120.570 0.046 0.000 2.480 626 I HA 0.043 4.212 4.170 -0.001 0.000 0.251 626 I C 2.576 178.640 176.117 -0.088 0.000 1.124 626 I CA 0.383 61.674 61.300 -0.016 0.000 1.444 626 I CB -0.282 37.720 38.000 0.004 0.000 1.098 626 I HN 0.072 nan 8.210 nan 0.000 0.428 627 V N 0.724 120.551 119.914 -0.144 0.000 2.295 627 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 627 V C 2.561 178.323 176.094 -0.553 0.000 1.049 627 V CA 2.042 64.120 62.300 -0.371 0.000 1.024 627 V CB -0.768 30.841 31.823 -0.356 0.000 0.648 627 V HN 0.439 nan 8.190 nan 0.000 0.447 628 V N -0.705 119.039 119.914 -0.283 0.000 2.667 628 V HA -0.144 3.976 4.120 -0.001 0.000 0.252 628 V C 2.361 178.414 176.094 -0.069 0.000 1.065 628 V CA 2.190 64.398 62.300 -0.153 0.000 1.083 628 V CB -0.799 30.992 31.823 -0.053 0.000 0.692 628 V HN 0.514 nan 8.190 nan 0.000 0.468 629 K N 2.305 122.663 120.400 -0.069 0.000 2.031 629 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 629 K C 2.122 178.714 176.600 -0.013 0.000 1.049 629 K CA 2.009 58.279 56.287 -0.029 0.000 0.939 629 K CB -1.264 31.221 32.500 -0.026 0.000 0.717 629 K HN 0.427 nan 8.250 nan 0.000 0.438 630 G N -0.717 108.067 108.800 -0.027 0.000 2.408 630 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 630 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 630 G C 1.135 176.109 174.900 0.125 0.000 1.150 630 G CA 0.716 45.849 45.100 0.054 0.000 0.776 630 G HN 0.271 nan 8.290 nan 0.000 0.542 631 Y N 0.340 120.589 120.300 -0.086 0.000 2.263 631 Y HA -0.021 4.529 4.550 -0.001 0.000 0.292 631 Y C 2.853 178.537 175.900 -0.360 0.000 1.130 631 Y CA 0.916 58.890 58.100 -0.211 0.000 1.179 631 Y CB -0.928 37.603 38.460 0.117 0.000 0.998 631 Y HN 0.264 nan 8.280 nan 0.000 0.532 632 Q N 0.421 120.228 119.800 0.012 0.000 2.083 632 Q HA -0.047 4.293 4.340 -0.001 0.000 0.198 632 Q C 2.361 178.303 176.000 -0.098 0.000 0.969 632 Q CA 1.740 57.524 55.803 -0.032 0.000 0.838 632 Q CB -0.455 28.287 28.738 0.007 0.000 0.900 632 Q HN 0.319 nan 8.270 nan 0.000 0.436 633 A N 0.266 123.053 122.820 -0.054 0.000 1.873 633 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 633 A C 2.276 179.817 177.584 -0.073 0.000 1.186 633 A CA 1.850 53.902 52.037 0.024 0.000 0.616 633 A CB -1.160 17.930 19.000 0.151 0.000 0.823 633 A HN 0.500 nan 8.150 nan 0.000 0.442 634 A N -0.298 122.390 122.820 -0.221 0.000 1.930 634 A HA 0.224 4.544 4.320 -0.001 0.000 0.217 634 A C 2.452 179.688 177.584 -0.580 0.000 1.175 634 A CA 1.885 53.655 52.037 -0.445 0.000 0.627 634 A CB -0.861 17.764 19.000 -0.625 0.000 0.815 634 A HN 0.995 nan 8.150 nan 0.000 0.443 635 A N -1.154 121.255 122.820 -0.684 0.000 1.930 635 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 635 A C 2.111 179.603 177.584 -0.153 0.000 1.175 635 A CA 1.492 53.366 52.037 -0.272 0.000 0.627 635 A CB -0.392 18.524 19.000 -0.140 0.000 0.815 635 A HN 0.465 nan 8.150 nan 0.000 0.443 636 Q N -0.308 119.389 119.800 -0.172 0.000 2.119 636 Q HA -0.168 4.172 4.340 -0.001 0.000 0.201 636 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 636 Q CA 1.847 57.574 55.803 -0.127 0.000 0.847 636 Q CB -0.338 28.348 28.738 -0.087 0.000 0.903 636 Q HN 0.632 nan 8.270 nan 0.000 0.433 637 K N 0.909 121.111 120.400 -0.330 0.000 2.148 637 K HA 0.010 4.330 4.320 -0.001 0.000 0.204 637 K C 1.821 178.268 176.600 -0.255 0.000 1.050 637 K CA 1.149 57.172 56.287 -0.441 0.000 0.942 637 K CB -0.362 31.491 32.500 -1.079 0.000 0.724 637 K HN 0.124 nan 8.250 nan 0.000 0.446 638 A N 0.533 123.243 122.820 -0.184 0.000 1.933 638 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 638 A C 2.035 179.596 177.584 -0.039 0.000 1.175 638 A CA 1.580 53.582 52.037 -0.058 0.000 0.628 638 A CB -0.484 18.546 19.000 0.049 0.000 0.814 638 A HN 0.496 nan 8.150 nan 0.000 0.444 639 Q N -0.876 118.893 119.800 -0.051 0.000 2.084 639 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 639 Q C 2.139 178.118 176.000 -0.035 0.000 0.978 639 Q CA 1.636 57.420 55.803 -0.033 0.000 0.844 639 Q CB -0.159 28.559 28.738 -0.033 0.000 0.898 639 Q HN 0.863 nan 8.270 nan 0.000 0.426 640 E N 0.767 120.933 120.200 -0.057 0.000 2.072 640 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 640 E C 1.988 178.567 176.600 -0.035 0.000 0.985 640 E CA 0.633 57.005 56.400 -0.047 0.000 0.801 640 E CB 0.001 29.663 29.700 -0.063 0.000 0.750 640 E HN 0.295 nan 8.360 nan 0.000 0.452 641 L N 0.601 121.797 121.223 -0.045 0.000 2.042 641 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 641 L C 2.566 179.434 176.870 -0.002 0.000 1.076 641 L CA 0.923 55.750 54.840 -0.021 0.000 0.749 641 L CB -0.327 41.717 42.059 -0.024 0.000 0.893 641 L HN 0.265 nan 8.230 nan 0.000 0.432 642 L N -0.797 120.423 121.223 -0.005 0.000 2.109 642 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 642 L C 2.610 179.482 176.870 0.004 0.000 1.086 642 L CA 0.783 55.626 54.840 0.004 0.000 0.760 642 L CB -0.429 41.632 42.059 0.004 0.000 0.910 642 L HN 0.164 nan 8.230 nan 0.000 0.437 643 K N -0.149 120.249 120.400 -0.003 0.000 2.211 643 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 643 K C 2.072 178.672 176.600 0.001 0.000 1.050 643 K CA 1.771 58.056 56.287 -0.002 0.000 0.945 643 K CB -0.355 32.141 32.500 -0.006 0.000 0.732 643 K HN 0.467 nan 8.250 nan 0.000 0.451 644 T N -1.884 112.670 114.554 0.001 0.000 3.040 644 T HA 0.062 4.411 4.350 -0.001 0.000 0.252 644 T C 1.832 176.537 174.700 0.009 0.000 1.064 644 T CA -0.014 62.088 62.100 0.004 0.000 1.110 644 T CB -0.007 68.862 68.868 0.002 0.000 0.921 644 T HN -0.063 nan 8.240 nan 0.000 0.480 645 I N 2.133 122.712 120.570 0.015 0.000 2.876 645 I HA 0.442 4.612 4.170 -0.001 0.000 0.264 645 I C 1.403 177.533 176.117 0.022 0.000 1.204 645 I CA -0.627 60.688 61.300 0.025 0.000 1.485 645 I CB -0.617 37.409 38.000 0.043 0.000 1.103 645 I HN 0.347 nan 8.210 nan 0.000 0.446 646 A N 0.036 122.865 122.820 0.016 0.000 2.531 646 A HA 0.097 4.417 4.320 -0.001 0.000 0.236 646 A C 0.089 177.679 177.584 0.011 0.000 1.062 646 A CA 0.044 52.089 52.037 0.013 0.000 0.760 646 A CB -0.467 18.538 19.000 0.009 0.000 0.995 646 A HN 0.432 nan 8.150 nan 0.000 0.501 647 C N 3.125 122.431 119.300 0.011 0.000 2.264 647 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 647 C C 0.365 175.359 174.990 0.006 0.000 1.267 647 C CA -0.579 58.444 59.018 0.008 0.000 1.618 647 C CB -0.511 27.235 27.740 0.010 0.000 2.278 647 C HN 0.932 nan 8.230 nan 0.000 0.499 648 E N 1.337 121.540 120.200 0.004 0.000 2.414 648 E HA 0.358 4.708 4.350 -0.001 0.000 0.263 648 E C -0.137 176.464 176.600 0.003 0.000 1.000 648 E CA 0.404 56.806 56.400 0.003 0.000 0.914 648 E CB 0.521 30.222 29.700 0.002 0.000 0.948 648 E HN 0.497 nan 8.360 nan 0.000 0.444 649 V N 2.148 122.064 119.914 0.003 0.000 3.087 649 V HA 0.627 4.747 4.120 -0.001 0.000 0.306 649 V C -0.186 175.909 176.094 0.002 0.000 1.187 649 V CA -0.589 61.712 62.300 0.003 0.000 0.999 649 V CB 2.255 34.080 31.823 0.003 0.000 1.049 649 V HN 0.752 nan 8.190 nan 0.000 0.431 650 G N 3.162 111.964 108.800 0.002 0.000 2.254 650 G HA2 0.402 4.361 3.960 -0.001 0.000 0.253 650 G HA3 0.402 4.361 3.960 -0.001 0.000 0.253 650 G C 1.028 175.929 174.900 0.002 0.000 1.246 650 G CA 0.383 45.484 45.100 0.002 0.000 0.946 650 G HN 1.560 nan 8.290 nan 0.000 0.474 651 A N 2.637 125.459 122.820 0.002 0.000 1.933 651 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 651 A C 2.052 179.638 177.584 0.003 0.000 1.175 651 A CA 1.215 53.254 52.037 0.002 0.000 0.628 651 A CB -0.023 18.978 19.000 0.002 0.000 0.814 651 A HN 0.577 nan 8.150 nan 0.000 0.444 652 Q N -0.209 119.593 119.800 0.003 0.000 2.198 652 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 652 Q C -0.745 175.256 176.000 0.003 0.000 0.848 652 Q CA -0.124 55.681 55.803 0.003 0.000 0.974 652 Q CB 0.063 28.803 28.738 0.003 0.000 1.115 652 Q HN 0.745 nan 8.270 nan 0.000 0.494 653 D N 1.075 121.476 120.400 0.002 0.000 2.412 653 D HA -0.048 4.591 4.640 -0.001 0.000 0.257 653 D C 1.234 177.535 176.300 0.001 0.000 1.217 653 D CA 0.159 54.160 54.000 0.001 0.000 0.897 653 D CB 0.916 41.717 40.800 0.001 0.000 1.132 653 D HN -0.220 nan 8.370 nan 0.000 0.493 654 K N 2.996 123.396 120.400 0.001 0.000 2.077 654 K HA -0.257 4.062 4.320 -0.001 0.000 0.213 654 K C 1.448 178.048 176.600 -0.001 0.000 1.051 654 K CA 1.688 57.975 56.287 0.000 0.000 0.929 654 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 654 K HN 0.492 nan 8.250 nan 0.000 0.451 655 E N 0.049 120.248 120.200 -0.002 0.000 2.017 655 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 655 E C 2.113 178.711 176.600 -0.003 0.000 0.997 655 E CA 1.399 57.797 56.400 -0.004 0.000 0.804 655 E CB -0.468 29.229 29.700 -0.004 0.000 0.757 655 E HN 0.343 nan 8.360 nan 0.000 0.448 656 I N 1.215 121.784 120.570 -0.001 0.000 2.335 656 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 656 I C 2.247 178.364 176.117 0.001 0.000 1.129 656 I CA 0.939 62.239 61.300 -0.000 0.000 1.402 656 I CB -0.165 37.836 38.000 0.001 0.000 1.069 656 I HN 0.035 nan 8.210 nan 0.000 0.424 657 L N -0.417 120.807 121.223 0.001 0.000 2.056 657 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 657 L C 2.496 179.366 176.870 0.001 0.000 1.078 657 L CA 1.859 56.700 54.840 0.002 0.000 0.749 657 L CB -1.174 40.886 42.059 0.002 0.000 0.901 657 L HN 0.405 nan 8.230 nan 0.000 0.433 658 T N -3.741 110.812 114.554 -0.001 0.000 2.985 658 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 658 T C 1.862 176.559 174.700 -0.005 0.000 1.076 658 T CA 0.575 62.673 62.100 -0.003 0.000 1.135 658 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 658 T HN 0.005 nan 8.240 nan 0.000 0.480 659 K N 0.796 121.192 120.400 -0.005 0.000 2.062 659 K HA 0.249 4.568 4.320 -0.001 0.000 0.205 659 K C 2.126 178.726 176.600 -0.001 0.000 1.051 659 K CA 0.592 56.875 56.287 -0.007 0.000 0.941 659 K CB -0.429 32.068 32.500 -0.006 0.000 0.719 659 K HN 0.266 nan 8.250 nan 0.000 0.440 660 I N 0.740 121.311 120.570 0.002 0.000 2.179 660 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 660 I C 2.162 178.284 176.117 0.007 0.000 1.088 660 I CA 1.437 62.741 61.300 0.006 0.000 1.357 660 I CB -1.336 36.668 38.000 0.006 0.000 1.051 660 I HN 0.090 nan 8.210 nan 0.000 0.409 661 A N 0.815 123.638 122.820 0.005 0.000 1.873 661 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 661 A C 2.409 179.998 177.584 0.007 0.000 1.193 661 A CA 1.999 54.039 52.037 0.006 0.000 0.629 661 A CB -0.636 18.366 19.000 0.004 0.000 0.826 661 A HN 0.355 nan 8.150 nan 0.000 0.447 662 M N -0.311 119.291 119.600 0.003 0.000 2.132 662 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 662 M C 2.427 178.734 176.300 0.012 0.000 1.065 662 M CA 2.017 57.318 55.300 0.000 0.000 1.122 662 M CB -0.745 31.846 32.600 -0.016 0.000 1.365 662 M HN 0.725 nan 8.290 nan 0.000 0.411 663 T N -2.714 111.848 114.554 0.015 0.000 2.867 663 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 663 T C 1.888 176.613 174.700 0.042 0.000 1.057 663 T CA 1.630 63.751 62.100 0.035 0.000 1.136 663 T CB -0.457 68.430 68.868 0.031 0.000 0.874 663 T HN 0.298 nan 8.240 nan 0.000 0.466 664 S N 0.924 116.641 115.700 0.028 0.000 2.368 664 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 664 S C 2.001 176.619 174.600 0.029 0.000 1.029 664 S CA 0.725 58.940 58.200 0.025 0.000 0.988 664 S CB -0.617 62.593 63.200 0.017 0.000 0.838 664 S HN 0.588 nan 8.310 nan 0.000 0.462 665 I N 1.761 122.349 120.570 0.029 0.000 2.361 665 I HA -0.101 4.069 4.170 -0.001 0.000 0.251 665 I C 1.275 177.421 176.117 0.047 0.000 1.133 665 I CA 0.894 62.213 61.300 0.031 0.000 1.413 665 I CB -0.906 37.108 38.000 0.024 0.000 1.073 665 I HN 0.429 nan 8.210 nan 0.000 0.424 666 T N -0.586 114.009 114.554 0.069 0.000 2.932 666 T HA 0.321 4.671 4.350 -0.001 0.000 0.312 666 T C 1.160 175.918 174.700 0.097 0.000 1.071 666 T CA 0.101 62.273 62.100 0.121 0.000 1.128 666 T CB 1.288 70.281 68.868 0.209 0.000 0.984 666 T HN 0.604 nan 8.240 nan 0.000 0.549 667 G N 1.512 110.370 108.800 0.097 0.000 2.176 667 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 667 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 667 G C -0.069 174.848 174.900 0.028 0.000 0.979 667 G CA 0.393 45.515 45.100 0.037 0.000 0.641 667 G HN 0.943 nan 8.290 nan 0.000 0.530 668 K N -0.942 119.482 120.400 0.040 0.000 2.350 668 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 668 K C 1.494 178.115 176.600 0.035 0.000 0.994 668 K CA -0.521 55.784 56.287 0.030 0.000 0.839 668 K CB 1.435 33.952 32.500 0.027 0.000 1.244 668 K HN 0.160 nan 8.250 nan 0.000 0.443 669 G N 0.377 109.194 108.800 0.028 0.000 2.422 669 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 669 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 669 G C 1.290 176.208 174.900 0.030 0.000 1.140 669 G CA 0.986 46.103 45.100 0.029 0.000 0.775 669 G HN 0.616 nan 8.290 nan 0.000 0.545 670 A N 1.690 124.527 122.820 0.028 0.000 2.125 670 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 670 A C 2.131 179.730 177.584 0.025 0.000 1.156 670 A CA 1.763 53.815 52.037 0.025 0.000 0.671 670 A CB -0.438 18.576 19.000 0.023 0.000 0.794 670 A HN 0.662 nan 8.150 nan 0.000 0.459 671 E N 1.234 121.453 120.200 0.033 0.000 2.331 671 E HA -0.293 4.056 4.350 -0.001 0.000 0.199 671 E C 1.614 178.227 176.600 0.022 0.000 1.008 671 E CA 1.367 57.787 56.400 0.033 0.000 0.843 671 E CB -0.546 29.189 29.700 0.060 0.000 0.761 671 E HN 0.820 nan 8.360 nan 0.000 0.507 672 K N 0.860 121.274 120.400 0.024 0.000 2.211 672 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 672 K C 1.502 178.107 176.600 0.008 0.000 1.047 672 K CA 1.491 57.788 56.287 0.016 0.000 0.935 672 K CB -0.006 32.506 32.500 0.019 0.000 0.728 672 K HN 0.160 nan 8.250 nan 0.000 0.452 673 A N 1.769 124.594 122.820 0.009 0.000 2.616 673 A HA 0.145 4.464 4.320 -0.001 0.000 0.294 673 A C 1.303 178.889 177.584 0.003 0.000 1.091 673 A CA -0.563 51.477 52.037 0.005 0.000 0.971 673 A CB -0.055 18.950 19.000 0.008 0.000 1.222 673 A HN 0.415 nan 8.150 nan 0.000 0.521 674 K N 0.161 120.562 120.400 0.002 0.000 2.286 674 K HA -0.210 4.109 4.320 -0.001 0.000 0.203 674 K C 0.862 177.459 176.600 -0.005 0.000 1.045 674 K CA 1.927 58.214 56.287 -0.000 0.000 0.935 674 K CB -0.101 32.397 32.500 -0.004 0.000 0.737 674 K HN 0.333 nan 8.250 nan 0.000 0.460 675 E N 1.488 121.682 120.200 -0.009 0.000 2.046 675 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 675 E C 1.913 178.510 176.600 -0.004 0.000 0.982 675 E CA 1.295 57.689 56.400 -0.010 0.000 0.800 675 E CB -0.072 29.620 29.700 -0.013 0.000 0.756 675 E HN 0.257 nan 8.360 nan 0.000 0.449 676 K N 0.335 120.734 120.400 -0.001 0.000 2.097 676 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 676 K C 1.636 178.239 176.600 0.005 0.000 1.050 676 K CA 0.809 57.097 56.287 0.002 0.000 0.938 676 K CB -0.251 32.251 32.500 0.004 0.000 0.718 676 K HN 0.004 nan 8.250 nan 0.000 0.442 677 L N 0.412 121.638 121.223 0.005 0.000 2.093 677 L HA 0.036 4.375 4.340 -0.001 0.000 0.208 677 L C 2.277 179.150 176.870 0.006 0.000 1.085 677 L CA 1.894 56.738 54.840 0.007 0.000 0.755 677 L CB -1.151 40.914 42.059 0.009 0.000 0.904 677 L HN 0.269 nan 8.230 nan 0.000 0.435 678 A N -0.799 122.022 122.820 0.003 0.000 1.898 678 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 678 A C 2.314 179.900 177.584 0.002 0.000 1.181 678 A CA 1.632 53.670 52.037 0.002 0.000 0.620 678 A CB -0.497 18.502 19.000 -0.002 0.000 0.819 678 A HN 0.380 nan 8.150 nan 0.000 0.442 679 E N 0.331 120.532 120.200 0.002 0.000 2.058 679 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 679 E C 1.697 178.300 176.600 0.006 0.000 0.997 679 E CA 1.594 57.996 56.400 0.003 0.000 0.801 679 E CB -0.388 29.313 29.700 0.002 0.000 0.746 679 E HN 0.639 nan 8.360 nan 0.000 0.450 680 I N -0.328 120.246 120.570 0.007 0.000 2.179 680 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 680 I C 1.932 178.055 176.117 0.009 0.000 1.088 680 I CA 0.760 62.067 61.300 0.010 0.000 1.357 680 I CB -0.154 37.854 38.000 0.012 0.000 1.051 680 I HN 0.161 nan 8.210 nan 0.000 0.409 681 I N -0.361 120.214 120.570 0.008 0.000 2.406 681 I HA -0.163 4.006 4.170 -0.001 0.000 0.249 681 I C 2.295 178.416 176.117 0.006 0.000 1.122 681 I CA 1.069 62.373 61.300 0.007 0.000 1.431 681 I CB -0.288 37.716 38.000 0.006 0.000 1.087 681 I HN -0.063 nan 8.210 nan 0.000 0.424 682 V N 0.229 120.147 119.914 0.006 0.000 2.358 682 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 682 V C 2.511 178.609 176.094 0.006 0.000 1.047 682 V CA 1.916 64.219 62.300 0.005 0.000 1.035 682 V CB -0.547 31.278 31.823 0.004 0.000 0.658 682 V HN 0.403 nan 8.190 nan 0.000 0.452 683 E N 0.847 121.051 120.200 0.007 0.000 2.077 683 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 683 E C 2.133 178.739 176.600 0.010 0.000 0.989 683 E CA 1.680 58.085 56.400 0.009 0.000 0.800 683 E CB -0.492 29.214 29.700 0.010 0.000 0.746 683 E HN 0.492 nan 8.360 nan 0.000 0.452 684 A N 0.029 122.855 122.820 0.010 0.000 1.902 684 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 684 A C 2.505 180.093 177.584 0.008 0.000 1.181 684 A CA 1.728 53.771 52.037 0.009 0.000 0.623 684 A CB -0.783 18.221 19.000 0.008 0.000 0.818 684 A HN 0.205 nan 8.150 nan 0.000 0.443 685 V N -0.330 119.588 119.914 0.007 0.000 2.307 685 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 685 V C 2.763 178.861 176.094 0.007 0.000 1.045 685 V CA 2.241 64.544 62.300 0.006 0.000 1.024 685 V CB -0.851 30.975 31.823 0.005 0.000 0.651 685 V HN 0.546 nan 8.190 nan 0.000 0.449 686 S N 0.191 115.896 115.700 0.008 0.000 2.387 686 S HA -0.219 4.251 4.470 -0.001 0.000 0.230 686 S C 2.168 176.775 174.600 0.011 0.000 1.035 686 S CA 1.511 59.716 58.200 0.009 0.000 1.014 686 S CB -0.472 62.733 63.200 0.009 0.000 0.836 686 S HN 0.659 nan 8.310 nan 0.000 0.466 687 A N 1.112 123.940 122.820 0.013 0.000 1.855 687 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 687 A C 2.402 179.996 177.584 0.016 0.000 1.191 687 A CA 1.758 53.806 52.037 0.018 0.000 0.613 687 A CB -0.821 18.191 19.000 0.019 0.000 0.829 687 A HN 0.579 nan 8.150 nan 0.000 0.442 688 V N -3.209 116.712 119.914 0.011 0.000 3.052 688 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 688 V C 2.033 178.131 176.094 0.006 0.000 1.100 688 V CA 1.365 63.670 62.300 0.009 0.000 1.112 688 V CB -0.365 31.461 31.823 0.005 0.000 0.738 688 V HN 0.194 nan 8.190 nan 0.000 0.469 689 V N 0.553 120.470 119.914 0.006 0.000 2.809 689 V HA -0.059 4.061 4.120 -0.001 0.000 0.256 689 V C 1.571 177.667 176.094 0.003 0.000 1.080 689 V CA 2.291 64.593 62.300 0.004 0.000 1.102 689 V CB -0.538 31.288 31.823 0.004 0.000 0.705 689 V HN 0.842 nan 8.190 nan 0.000 0.475 690 D N -0.651 119.751 120.400 0.004 0.000 4.438 690 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 690 D C 0.632 176.933 176.300 0.001 0.000 0.686 690 D CA 1.927 55.929 54.000 0.002 0.000 1.183 690 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 690 D HN 0.557 nan 8.370 nan 0.000 0.521 691 D N 1.021 121.420 120.400 -0.001 0.000 2.393 691 D HA 0.289 4.929 4.640 -0.001 0.000 0.246 691 D C -0.158 176.142 176.300 0.000 0.000 1.275 691 D CA 0.228 54.227 54.000 -0.001 0.000 0.979 691 D CB 0.403 41.201 40.800 -0.003 0.000 1.101 691 D HN 0.154 nan 8.370 nan 0.000 0.505 692 E N -0.605 119.595 120.200 0.000 0.000 2.731 692 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 692 E C -0.183 176.417 176.600 0.000 0.000 1.087 692 E CA -0.503 55.897 56.400 0.001 0.000 1.020 692 E CB 0.857 30.558 29.700 0.001 0.000 1.339 692 E HN 0.502 nan 8.360 nan 0.000 0.444 693 G N 0.591 109.391 108.800 0.000 0.000 2.328 693 G HA2 0.353 4.313 3.960 -0.001 0.000 0.299 693 G HA3 0.353 4.313 3.960 -0.001 0.000 0.299 693 G C -1.738 173.162 174.900 0.000 0.000 1.435 693 G CA -0.926 44.175 45.100 0.000 0.000 0.865 693 G HN 0.025 nan 8.290 nan 0.000 0.601 694 K N 0.303 120.703 120.400 0.000 0.000 2.581 694 K HA 0.586 4.906 4.320 -0.001 0.000 0.249 694 K C -1.662 174.938 176.600 0.000 0.000 0.966 694 K CA -0.581 55.706 56.287 0.000 0.000 0.811 694 K CB 2.057 34.556 32.500 -0.001 0.000 1.223 694 K HN 0.879 nan 8.250 nan 0.000 0.438 695 V N 3.032 122.946 119.914 0.001 0.000 2.547 695 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 695 V C -1.121 174.973 176.094 -0.000 0.000 1.040 695 V CA -0.516 61.785 62.300 0.001 0.000 0.913 695 V CB 1.694 33.518 31.823 0.001 0.000 0.992 695 V HN 0.778 nan 8.190 nan 0.000 0.449 696 D N 4.539 124.939 120.400 -0.001 0.000 2.441 696 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 696 D C 0.788 177.086 176.300 -0.003 0.000 1.073 696 D CA -0.306 53.692 54.000 -0.002 0.000 0.850 696 D CB 1.677 42.475 40.800 -0.003 0.000 1.062 696 D HN 0.553 nan 8.370 nan 0.000 0.524 697 K N 2.041 122.440 120.400 -0.003 0.000 2.280 697 K HA -0.152 4.167 4.320 -0.001 0.000 0.202 697 K C 0.883 177.479 176.600 -0.007 0.000 1.047 697 K CA 0.826 57.111 56.287 -0.004 0.000 0.942 697 K CB 0.248 32.746 32.500 -0.003 0.000 0.739 697 K HN 0.354 nan 8.250 nan 0.000 0.457 698 D N 0.763 121.159 120.400 -0.008 0.000 2.310 698 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 698 D C 1.343 177.634 176.300 -0.015 0.000 0.965 698 D CA 0.627 54.619 54.000 -0.012 0.000 0.879 698 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 698 D HN 0.105 nan 8.370 nan 0.000 0.510 699 L N -0.187 121.029 121.223 -0.011 0.000 2.492 699 L HA 0.157 4.496 4.340 -0.001 0.000 0.223 699 L C 0.356 177.219 176.870 -0.011 0.000 1.132 699 L CA 0.249 55.082 54.840 -0.011 0.000 0.850 699 L CB 0.133 42.188 42.059 -0.005 0.000 0.966 699 L HN 0.019 nan 8.230 nan 0.000 0.454 700 I N 0.568 121.132 120.570 -0.010 0.000 2.390 700 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 700 I C -0.088 176.020 176.117 -0.015 0.000 1.016 700 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 700 I CB 1.405 39.403 38.000 -0.004 0.000 1.293 700 I HN -0.148 nan 8.210 nan 0.000 0.458 701 K N 7.268 127.656 120.400 -0.021 0.000 2.172 701 K HA 0.452 4.771 4.320 -0.001 0.000 0.276 701 K C -0.786 175.801 176.600 -0.023 0.000 1.013 701 K CA -0.238 56.032 56.287 -0.028 0.000 0.913 701 K CB 0.774 33.248 32.500 -0.045 0.000 1.055 701 K HN 0.396 nan 8.250 nan 0.000 0.461 702 I N 3.932 124.489 120.570 -0.021 0.000 2.347 702 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 702 I C -0.161 175.943 176.117 -0.022 0.000 1.058 702 I CA -0.680 60.611 61.300 -0.015 0.000 1.202 702 I CB 0.345 38.340 38.000 -0.009 0.000 1.386 702 I HN 0.684 nan 8.210 nan 0.000 0.475 703 E N 6.974 127.158 120.200 -0.026 0.000 2.214 703 E HA 0.612 4.962 4.350 -0.001 0.000 0.274 703 E C -0.784 175.805 176.600 -0.018 0.000 0.977 703 E CA -0.595 55.785 56.400 -0.034 0.000 0.827 703 E CB 1.405 31.069 29.700 -0.059 0.000 1.130 703 E HN 0.563 nan 8.360 nan 0.000 0.394 704 K N 1.625 122.014 120.400 -0.019 0.000 2.498 704 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 704 K C -1.333 175.260 176.600 -0.012 0.000 0.933 704 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 704 K CB 1.817 34.311 32.500 -0.011 0.000 1.301 704 K HN 0.197 nan 8.250 nan 0.000 0.432 705 K N 1.350 121.749 120.400 -0.001 0.000 2.581 705 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 705 K C -1.283 175.319 176.600 0.003 0.000 0.966 705 K CA -0.338 55.949 56.287 0.001 0.000 0.811 705 K CB 2.179 34.688 32.500 0.015 0.000 1.223 705 K HN 0.711 nan 8.250 nan 0.000 0.438 706 S N 2.580 118.276 115.700 -0.007 0.000 2.568 706 S HA 0.600 5.070 4.470 -0.001 0.000 0.282 706 S C 0.137 174.740 174.600 0.004 0.000 1.338 706 S CA 1.340 59.536 58.200 -0.006 0.000 1.045 706 S CB -0.224 62.966 63.200 -0.018 0.000 0.873 706 S HN 1.207 nan 8.310 nan 0.000 0.516 707 G N 1.789 110.594 108.800 0.007 0.000 2.428 707 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 707 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 707 G C -0.099 174.810 174.900 0.014 0.000 1.340 707 G CA -0.039 45.068 45.100 0.011 0.000 0.915 707 G HN 2.158 nan 8.290 nan 0.000 0.645 708 A N -0.817 122.011 122.820 0.013 0.000 6.088 708 A HA 0.395 4.715 4.320 -0.001 0.000 0.261 708 A C 1.091 178.682 177.584 0.012 0.000 2.138 708 A CA 1.913 53.958 52.037 0.012 0.000 0.708 708 A CB -1.632 17.377 19.000 0.015 0.000 1.068 708 A HN 2.717 nan 8.150 nan 0.000 0.364 709 S N -2.557 113.151 115.700 0.012 0.000 2.745 709 S HA 0.692 5.161 4.470 -0.001 0.000 0.306 709 S C 1.124 175.732 174.600 0.014 0.000 1.137 709 S CA 0.144 58.351 58.200 0.012 0.000 0.900 709 S CB 1.369 64.575 63.200 0.010 0.000 1.176 709 S HN 1.652 nan 8.310 nan 0.000 0.520 710 I N 1.117 121.695 120.570 0.014 0.000 2.493 710 I HA -0.087 4.083 4.170 -0.001 0.000 0.254 710 I C 1.577 177.702 176.117 0.013 0.000 1.160 710 I CA 1.601 62.910 61.300 0.014 0.000 1.445 710 I CB -0.101 37.908 38.000 0.015 0.000 1.086 710 I HN 0.795 nan 8.210 nan 0.000 0.433 711 D N 0.755 121.161 120.400 0.011 0.000 2.264 711 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 711 D C 1.595 177.900 176.300 0.009 0.000 0.966 711 D CA 1.119 55.124 54.000 0.008 0.000 0.864 711 D CB 0.022 40.826 40.800 0.006 0.000 0.933 711 D HN 0.358 nan 8.370 nan 0.000 0.499 712 D N -0.460 119.947 120.400 0.011 0.000 2.347 712 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 712 D C 0.235 176.547 176.300 0.020 0.000 0.985 712 D CA 0.385 54.393 54.000 0.013 0.000 0.879 712 D CB -0.128 40.681 40.800 0.014 0.000 0.919 712 D HN 0.149 nan 8.370 nan 0.000 0.526 713 T N 1.563 116.129 114.554 0.021 0.000 2.933 713 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 713 T C 0.291 175.007 174.700 0.027 0.000 1.045 713 T CA 0.675 62.790 62.100 0.026 0.000 1.143 713 T CB 1.038 69.919 68.868 0.021 0.000 1.003 713 T HN 0.013 nan 8.240 nan 0.000 0.540 714 E N 1.480 121.702 120.200 0.038 0.000 2.390 714 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 714 E C -1.883 174.747 176.600 0.051 0.000 0.992 714 E CA -0.813 55.610 56.400 0.038 0.000 0.790 714 E CB 1.075 30.796 29.700 0.035 0.000 1.248 714 E HN 0.356 nan 8.360 nan 0.000 0.447 715 L N 3.339 124.587 121.223 0.042 0.000 2.312 715 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 715 L C -1.079 175.828 176.870 0.061 0.000 1.070 715 L CA -0.182 54.684 54.840 0.043 0.000 0.805 715 L CB 0.792 42.867 42.059 0.028 0.000 1.174 715 L HN 0.570 nan 8.230 nan 0.000 0.434 716 I N 5.456 126.071 120.570 0.076 0.000 2.382 716 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 716 I C -0.057 176.098 176.117 0.064 0.000 1.007 716 I CA -0.461 60.900 61.300 0.102 0.000 1.142 716 I CB 1.153 39.269 38.000 0.192 0.000 1.289 716 I HN 0.326 nan 8.210 nan 0.000 0.453 717 K N 5.778 126.209 120.400 0.051 0.000 2.081 717 K HA 0.484 4.803 4.320 -0.001 0.000 0.230 717 K C 0.456 177.077 176.600 0.035 0.000 1.199 717 K CA -0.004 56.303 56.287 0.034 0.000 1.130 717 K CB -0.287 32.227 32.500 0.024 0.000 1.386 717 K HN 0.979 nan 8.250 nan 0.000 0.280 718 G N -0.663 108.154 108.800 0.029 0.000 2.398 718 G HA2 0.023 3.982 3.960 -0.001 0.000 0.251 718 G HA3 0.023 3.982 3.960 -0.001 0.000 0.251 718 G C -1.606 173.289 174.900 -0.008 0.000 1.277 718 G CA -0.805 44.304 45.100 0.016 0.000 0.927 718 G HN 0.085 nan 8.290 nan 0.000 0.477 719 V N 0.753 120.647 119.914 -0.034 0.000 2.495 719 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 719 V C -0.648 175.361 176.094 -0.142 0.000 1.031 719 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 719 V CB 1.409 33.150 31.823 -0.136 0.000 0.988 719 V HN 0.911 nan 8.190 nan 0.000 0.432 720 L N 7.462 128.563 121.223 -0.204 0.000 2.305 720 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 720 L C -0.383 176.316 176.870 -0.286 0.000 1.013 720 L CA -0.152 54.464 54.840 -0.373 0.000 0.819 720 L CB 1.692 43.435 42.059 -0.527 0.000 1.227 720 L HN 0.577 nan 8.230 nan 0.000 0.417 721 V N 1.572 121.324 119.914 -0.270 0.000 2.769 721 V HA 0.635 4.755 4.120 -0.001 0.000 0.312 721 V C -0.492 175.521 176.094 -0.136 0.000 1.061 721 V CA -0.522 61.673 62.300 -0.174 0.000 0.931 721 V CB 1.835 33.572 31.823 -0.143 0.000 1.010 721 V HN 0.822 nan 8.190 nan 0.000 0.433 722 D N 1.125 121.472 120.400 -0.088 0.000 3.134 722 D HA 0.340 4.979 4.640 -0.001 0.000 0.248 722 D C -0.103 176.192 176.300 -0.009 0.000 1.273 722 D CA -0.264 53.703 54.000 -0.054 0.000 0.904 722 D CB 0.341 41.114 40.800 -0.047 0.000 1.089 722 D HN 0.521 nan 8.370 nan 0.000 0.478 723 K N 0.278 120.688 120.400 0.016 0.000 2.313 723 K HA 0.534 4.854 4.320 -0.001 0.000 0.235 723 K C 0.185 176.819 176.600 0.057 0.000 1.035 723 K CA -0.853 55.465 56.287 0.052 0.000 0.868 723 K CB 1.726 34.290 32.500 0.106 0.000 1.232 723 K HN 0.311 nan 8.250 nan 0.000 0.459 724 E N -0.104 120.126 120.200 0.050 0.000 2.378 724 E HA 0.480 4.830 4.350 -0.001 0.000 0.265 724 E C -0.749 175.865 176.600 0.023 0.000 0.932 724 E CA -1.141 55.282 56.400 0.039 0.000 0.795 724 E CB 1.119 30.835 29.700 0.028 0.000 1.296 724 E HN 0.100 nan 8.360 nan 0.000 0.438 725 R N 1.409 121.915 120.500 0.011 0.000 2.296 725 R HA 0.074 4.413 4.340 -0.001 0.000 0.323 725 R C 1.249 177.542 176.300 -0.011 0.000 1.067 725 R CA 0.162 56.253 56.100 -0.014 0.000 0.946 725 R CB 0.955 31.245 30.300 -0.016 0.000 0.991 725 R HN 0.650 nan 8.270 nan 0.000 0.448 726 V N 0.014 119.916 119.914 -0.020 0.000 2.688 726 V HA -0.102 4.018 4.120 -0.001 0.000 0.256 726 V C 0.905 176.996 176.094 -0.006 0.000 1.084 726 V CA 1.213 63.507 62.300 -0.010 0.000 1.103 726 V CB -0.252 31.563 31.823 -0.013 0.000 0.688 726 V HN 0.526 nan 8.190 nan 0.000 0.480 727 S N -0.905 114.789 115.700 -0.009 0.000 2.521 727 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 727 S C 0.828 175.428 174.600 -0.001 0.000 1.098 727 S CA -0.139 58.060 58.200 -0.000 0.000 0.999 727 S CB 1.821 65.023 63.200 0.004 0.000 1.034 727 S HN 0.735 nan 8.310 nan 0.000 0.483 728 A N 3.475 126.298 122.820 0.005 0.000 2.121 728 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 728 A C 1.782 179.370 177.584 0.006 0.000 1.154 728 A CA 1.115 53.155 52.037 0.006 0.000 0.679 728 A CB -0.438 18.567 19.000 0.007 0.000 0.795 728 A HN 0.904 nan 8.150 nan 0.000 0.458 729 Q N -0.906 118.899 119.800 0.008 0.000 2.389 729 Q HA 0.144 4.483 4.340 -0.001 0.000 0.204 729 Q C 0.296 176.288 176.000 -0.013 0.000 0.944 729 Q CA 0.073 55.878 55.803 0.003 0.000 0.908 729 Q CB -0.060 28.687 28.738 0.014 0.000 1.002 729 Q HN 0.665 nan 8.270 nan 0.000 0.493 730 M N 1.681 121.271 119.600 -0.017 0.000 2.242 730 M HA 0.178 4.657 4.480 -0.001 0.000 0.344 730 M C -2.111 174.178 176.300 -0.018 0.000 1.140 730 M CA -1.920 53.365 55.300 -0.026 0.000 1.160 730 M CB 0.170 32.750 32.600 -0.034 0.000 1.491 730 M HN -0.179 nan 8.290 nan 0.000 0.459 731 P HA 0.006 nan 4.420 nan 0.000 0.266 731 P C -0.455 176.840 177.300 -0.007 0.000 1.193 731 P CA 0.278 63.371 63.100 -0.012 0.000 0.770 731 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 732 K N 1.273 121.673 120.400 0.001 0.000 2.393 732 K HA 0.052 4.372 4.320 -0.001 0.000 0.193 732 K C 0.384 176.996 176.600 0.019 0.000 1.026 732 K CA 0.475 56.768 56.287 0.011 0.000 1.064 732 K CB 0.123 32.630 32.500 0.012 0.000 0.833 732 K HN 0.497 nan 8.250 nan 0.000 0.521 733 K N -0.383 120.024 120.400 0.012 0.000 2.571 733 K HA 0.336 4.656 4.320 -0.001 0.000 0.252 733 K C -1.330 175.277 176.600 0.011 0.000 0.956 733 K CA -0.787 55.511 56.287 0.018 0.000 0.822 733 K CB 2.021 34.528 32.500 0.012 0.000 1.286 733 K HN -0.275 nan 8.250 nan 0.000 0.439 734 V N 2.097 122.022 119.914 0.017 0.000 2.577 734 V HA 0.463 4.582 4.120 -0.001 0.000 0.303 734 V C -0.207 175.899 176.094 0.020 0.000 1.042 734 V CA -0.538 61.769 62.300 0.012 0.000 0.872 734 V CB 1.849 33.675 31.823 0.006 0.000 0.998 734 V HN 1.006 nan 8.190 nan 0.000 0.423 735 T N -0.166 114.396 114.554 0.013 0.000 2.945 735 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 735 T C 0.103 174.810 174.700 0.011 0.000 1.025 735 T CA -0.256 61.851 62.100 0.013 0.000 1.039 735 T CB 1.370 70.242 68.868 0.006 0.000 1.068 735 T HN 0.774 nan 8.240 nan 0.000 0.497 736 D N 0.059 120.466 120.400 0.011 0.000 2.689 736 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 736 D C 0.269 176.579 176.300 0.016 0.000 1.148 736 D CA 0.846 54.852 54.000 0.010 0.000 0.656 736 D CB -1.257 39.546 40.800 0.006 0.000 1.050 736 D HN 1.087 nan 8.370 nan 0.000 0.426 737 A N 1.306 124.141 122.820 0.024 0.000 2.425 737 A HA 0.410 4.729 4.320 -0.001 0.000 0.249 737 A C 0.532 178.137 177.584 0.035 0.000 1.084 737 A CA 0.060 52.115 52.037 0.031 0.000 0.781 737 A CB 0.635 19.665 19.000 0.050 0.000 1.019 737 A HN 0.150 nan 8.150 nan 0.000 0.490 738 K N 2.719 123.137 120.400 0.030 0.000 2.354 738 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 738 K C -1.224 175.402 176.600 0.043 0.000 1.062 738 K CA -0.194 56.112 56.287 0.032 0.000 0.971 738 K CB 0.833 33.345 32.500 0.020 0.000 1.305 738 K HN 0.541 nan 8.250 nan 0.000 0.449 739 I N 2.196 122.808 120.570 0.070 0.000 2.352 739 I HA 0.184 4.354 4.170 -0.001 0.000 0.290 739 I C 0.405 176.581 176.117 0.099 0.000 1.036 739 I CA -0.131 61.238 61.300 0.115 0.000 1.336 739 I CB 1.318 39.423 38.000 0.175 0.000 1.407 739 I HN 0.454 nan 8.210 nan 0.000 0.497 740 A N 7.634 130.511 122.820 0.095 0.000 2.330 740 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 740 A C -0.766 176.893 177.584 0.124 0.000 1.155 740 A CA -0.583 51.502 52.037 0.080 0.000 0.803 740 A CB 0.695 19.720 19.000 0.042 0.000 1.208 740 A HN 0.651 nan 8.150 nan 0.000 0.477 741 L N 3.336 124.623 121.223 0.106 0.000 2.298 741 L HA 0.488 4.827 4.340 -0.001 0.000 0.284 741 L C -0.823 176.092 176.870 0.074 0.000 1.013 741 L CA -0.189 54.720 54.840 0.114 0.000 0.824 741 L CB 1.170 43.280 42.059 0.085 0.000 1.221 741 L HN 0.576 nan 8.230 nan 0.000 0.418 742 L N 3.098 124.368 121.223 0.078 0.000 2.334 742 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 742 L C 0.733 177.634 176.870 0.052 0.000 1.014 742 L CA -0.379 54.493 54.840 0.053 0.000 0.815 742 L CB 2.117 44.204 42.059 0.045 0.000 1.268 742 L HN 0.587 nan 8.230 nan 0.000 0.428 743 N N 0.480 119.203 118.700 0.037 0.000 2.348 743 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 743 N C 0.350 175.877 175.510 0.028 0.000 1.094 743 N CA -0.049 53.020 53.050 0.032 0.000 0.885 743 N CB 0.571 39.072 38.487 0.023 0.000 1.065 743 N HN 0.753 nan 8.380 nan 0.000 0.472 744 C N 0.800 120.115 119.300 0.026 0.000 2.470 744 C HA 0.855 5.314 4.460 -0.001 0.000 0.350 744 C C 1.038 176.044 174.990 0.026 0.000 1.341 744 C CA -1.258 57.774 59.018 0.023 0.000 2.440 744 C CB -0.003 27.750 27.740 0.021 0.000 2.295 744 C HN 0.324 nan 8.230 nan 0.000 0.645 745 A N 0.763 123.597 122.820 0.024 0.000 2.340 745 A HA 0.631 4.951 4.320 -0.001 0.000 0.268 745 A C -0.009 177.592 177.584 0.028 0.000 1.100 745 A CA -0.641 51.411 52.037 0.026 0.000 0.803 745 A CB -0.082 18.932 19.000 0.023 0.000 1.043 745 A HN 0.859 nan 8.150 nan 0.000 0.488 746 I N 2.242 122.830 120.570 0.030 0.000 2.243 746 I HA 0.205 4.374 4.170 -0.001 0.000 0.289 746 I C 0.115 176.257 176.117 0.043 0.000 1.140 746 I CA 0.471 61.792 61.300 0.036 0.000 1.289 746 I CB -0.554 37.468 38.000 0.038 0.000 1.498 746 I HN 0.716 nan 8.210 nan 0.000 0.561 747 E N 3.529 123.753 120.200 0.039 0.000 2.450 747 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 747 E C -0.794 175.831 176.600 0.040 0.000 0.967 747 E CA -1.120 55.304 56.400 0.040 0.000 0.818 747 E CB 2.332 32.051 29.700 0.031 0.000 1.401 747 E HN 0.122 nan 8.360 nan 0.000 0.450 748 I N 2.309 122.904 120.570 0.041 0.000 2.406 748 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 748 I C 0.506 176.642 176.117 0.031 0.000 1.101 748 I CA 0.173 61.498 61.300 0.041 0.000 1.334 748 I CB -0.517 37.510 38.000 0.046 0.000 1.421 748 I HN 0.398 nan 8.210 nan 0.000 0.513 749 K N 4.902 125.320 120.400 0.029 0.000 2.319 749 K HA 0.084 4.403 4.320 -0.001 0.000 0.265 749 K C -0.065 176.548 176.600 0.022 0.000 1.000 749 K CA -0.199 56.102 56.287 0.023 0.000 0.943 749 K CB 0.846 33.358 32.500 0.021 0.000 0.950 749 K HN 0.460 nan 8.250 nan 0.000 0.485 750 E N 1.420 121.630 120.200 0.016 0.000 2.207 750 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 750 E C -1.056 175.552 176.600 0.013 0.000 0.927 750 E CA -0.591 55.817 56.400 0.013 0.000 0.799 750 E CB 1.359 31.063 29.700 0.007 0.000 1.172 750 E HN 0.637 nan 8.360 nan 0.000 0.404 751 T N 1.100 115.662 114.554 0.013 0.000 2.813 751 T HA 0.178 4.527 4.350 -0.001 0.000 0.297 751 T C 0.746 175.451 174.700 0.008 0.000 1.036 751 T CA -0.378 61.729 62.100 0.012 0.000 1.044 751 T CB 0.760 69.636 68.868 0.014 0.000 0.993 751 T HN 0.417 nan 8.240 nan 0.000 0.535 752 E N 0.333 120.538 120.200 0.008 0.000 2.047 752 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 752 E C 1.238 177.841 176.600 0.005 0.000 0.987 752 E CA 1.031 57.435 56.400 0.006 0.000 0.799 752 E CB -0.586 29.118 29.700 0.006 0.000 0.752 752 E HN 0.780 nan 8.360 nan 0.000 0.449 753 T N 1.315 115.872 114.554 0.006 0.000 2.930 753 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 753 T C -0.425 174.278 174.700 0.004 0.000 1.045 753 T CA -0.691 61.412 62.100 0.005 0.000 1.134 753 T CB 0.208 69.079 68.868 0.006 0.000 0.961 753 T HN -0.120 nan 8.240 nan 0.000 0.545 754 D N 2.827 123.228 120.400 0.001 0.000 2.425 754 D HA 0.493 5.133 4.640 -0.001 0.000 0.247 754 D C -0.243 176.056 176.300 -0.002 0.000 1.147 754 D CA 0.459 54.458 54.000 -0.001 0.000 0.879 754 D CB 0.868 41.666 40.800 -0.003 0.000 1.179 754 D HN 0.758 nan 8.370 nan 0.000 0.456 755 A N 2.639 125.456 122.820 -0.006 0.000 2.547 755 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 755 A C -0.849 176.722 177.584 -0.022 0.000 1.056 755 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 755 A CB 1.604 20.605 19.000 0.002 0.000 1.282 755 A HN 0.463 nan 8.150 nan 0.000 0.400 756 E N 0.924 121.105 120.200 -0.032 0.000 2.314 756 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 756 E C -1.429 175.118 176.600 -0.089 0.000 0.884 756 E CA -0.850 55.514 56.400 -0.061 0.000 0.753 756 E CB 2.312 31.981 29.700 -0.051 0.000 1.213 756 E HN 0.497 nan 8.360 nan 0.000 0.432 757 I N 2.197 122.666 120.570 -0.169 0.000 2.428 757 I HA 0.153 4.323 4.170 -0.001 0.000 0.289 757 I C 0.041 176.037 176.117 -0.202 0.000 1.019 757 I CA -0.186 60.943 61.300 -0.285 0.000 1.351 757 I CB 0.421 38.012 38.000 -0.683 0.000 1.412 757 I HN 0.188 nan 8.210 nan 0.000 0.513 758 R N 6.728 127.150 120.500 -0.130 0.000 2.310 758 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 758 R C -0.993 175.295 176.300 -0.021 0.000 1.004 758 R CA -0.764 55.299 56.100 -0.061 0.000 0.900 758 R CB 0.853 31.142 30.300 -0.020 0.000 1.152 758 R HN 0.409 nan 8.270 nan 0.000 0.513 759 I N 3.044 123.592 120.570 -0.036 0.000 2.416 759 I HA 0.059 4.228 4.170 -0.001 0.000 0.288 759 I C 1.642 177.780 176.117 0.035 0.000 1.051 759 I CA 0.320 61.635 61.300 0.026 0.000 1.375 759 I CB 1.105 39.109 38.000 0.008 0.000 1.407 759 I HN 0.519 nan 8.210 nan 0.000 0.516 760 T N 0.020 114.610 114.554 0.059 0.000 3.040 760 T HA 0.221 4.571 4.350 -0.001 0.000 0.266 760 T C 0.261 174.985 174.700 0.040 0.000 1.005 760 T CA -0.227 61.898 62.100 0.042 0.000 0.906 760 T CB 0.564 69.457 68.868 0.042 0.000 1.082 760 T HN 0.576 nan 8.240 nan 0.000 0.531 761 D N 0.843 121.274 120.400 0.051 0.000 2.886 761 D HA 0.257 4.897 4.640 -0.001 0.000 0.216 761 D C -2.301 174.029 176.300 0.050 0.000 1.256 761 D CA -1.689 52.337 54.000 0.043 0.000 0.844 761 D CB 2.912 43.735 40.800 0.039 0.000 1.669 761 D HN -0.242 nan 8.370 nan 0.000 0.513 762 P HA -0.097 nan 4.420 nan 0.000 0.219 762 P C 1.043 178.368 177.300 0.041 0.000 1.146 762 P CA 0.837 63.958 63.100 0.036 0.000 0.808 762 P CB 0.300 32.014 31.700 0.024 0.000 0.779 763 A N 0.528 123.370 122.820 0.035 0.000 1.930 763 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 763 A C 2.394 180.003 177.584 0.040 0.000 1.175 763 A CA 1.715 53.770 52.037 0.030 0.000 0.627 763 A CB -1.073 17.938 19.000 0.017 0.000 0.815 763 A HN 0.159 nan 8.150 nan 0.000 0.443 764 K N -0.685 119.753 120.400 0.062 0.000 2.103 764 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 764 K C 1.843 178.580 176.600 0.229 0.000 1.052 764 K CA 1.125 57.476 56.287 0.107 0.000 0.945 764 K CB -0.259 32.322 32.500 0.135 0.000 0.722 764 K HN 0.305 nan 8.250 nan 0.000 0.443 765 L N 1.092 122.422 121.223 0.178 0.000 2.043 765 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 765 L C 2.029 179.003 176.870 0.173 0.000 1.075 765 L CA 1.762 56.707 54.840 0.175 0.000 0.752 765 L CB -0.304 41.806 42.059 0.085 0.000 0.891 765 L HN 0.282 nan 8.230 nan 0.000 0.432 766 M N -1.159 118.506 119.600 0.109 0.000 2.254 766 M HA -0.119 4.361 4.480 -0.001 0.000 0.265 766 M C 2.129 178.463 176.300 0.056 0.000 1.066 766 M CA 1.201 56.545 55.300 0.074 0.000 1.123 766 M CB -1.036 31.590 32.600 0.043 0.000 1.388 766 M HN 0.352 nan 8.290 nan 0.000 0.425 767 E N -0.147 120.069 120.200 0.026 0.000 2.097 767 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 767 E C 1.865 178.380 176.600 -0.143 0.000 1.000 767 E CA 1.399 57.745 56.400 -0.090 0.000 0.804 767 E CB -0.203 29.388 29.700 -0.182 0.000 0.740 767 E HN 0.400 nan 8.360 nan 0.000 0.454 768 F N 0.422 120.378 119.950 0.010 0.000 2.163 768 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 768 F C 2.217 178.027 175.800 0.017 0.000 1.094 768 F CA 0.644 58.651 58.000 0.012 0.000 1.290 768 F CB -0.177 38.828 39.000 0.010 0.000 1.017 768 F HN -0.047 nan 8.300 nan 0.000 0.483 769 I N 0.193 120.886 120.570 0.205 0.000 2.194 769 I HA -0.322 3.848 4.170 -0.001 0.000 0.246 769 I C 2.056 178.229 176.117 0.094 0.000 1.093 769 I CA 1.674 63.048 61.300 0.124 0.000 1.355 769 I CB -0.459 37.595 38.000 0.089 0.000 1.046 769 I HN 0.221 nan 8.210 nan 0.000 0.413 770 E N -0.161 120.080 120.200 0.068 0.000 2.274 770 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 770 E C 2.025 178.648 176.600 0.038 0.000 0.996 770 E CA 0.546 56.975 56.400 0.049 0.000 0.840 770 E CB 0.020 29.733 29.700 0.022 0.000 0.772 770 E HN 0.370 nan 8.360 nan 0.000 0.491 771 Q N 1.150 120.967 119.800 0.030 0.000 2.137 771 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 771 Q C 1.432 177.464 176.000 0.054 0.000 0.960 771 Q CA 1.329 57.142 55.803 0.017 0.000 0.847 771 Q CB 0.204 28.933 28.738 -0.015 0.000 0.915 771 Q HN 0.084 nan 8.270 nan 0.000 0.448 772 E N 0.172 120.427 120.200 0.091 0.000 2.150 772 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 772 E C 1.669 178.337 176.600 0.114 0.000 0.985 772 E CA 1.142 57.600 56.400 0.097 0.000 0.814 772 E CB 0.067 29.829 29.700 0.103 0.000 0.752 772 E HN 0.472 nan 8.360 nan 0.000 0.466 773 E N 0.425 120.702 120.200 0.128 0.000 2.051 773 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 773 E C 1.962 178.621 176.600 0.098 0.000 0.991 773 E CA 1.044 57.570 56.400 0.210 0.000 0.799 773 E CB -0.058 29.761 29.700 0.198 0.000 0.748 773 E HN 0.078 nan 8.360 nan 0.000 0.449 774 K N 0.835 121.245 120.400 0.017 0.000 2.057 774 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 774 K C 2.234 178.789 176.600 -0.075 0.000 1.049 774 K CA 1.191 57.440 56.287 -0.065 0.000 0.931 774 K CB -0.062 32.414 32.500 -0.039 0.000 0.714 774 K HN 0.077 nan 8.250 nan 0.000 0.440 775 M N 0.768 120.361 119.600 -0.012 0.000 2.067 775 M HA -0.187 4.292 4.480 -0.001 0.000 0.260 775 M C 1.877 178.173 176.300 -0.007 0.000 1.069 775 M CA 1.622 56.921 55.300 -0.001 0.000 1.117 775 M CB -0.071 32.550 32.600 0.034 0.000 1.334 775 M HN 0.182 nan 8.290 nan 0.000 0.407 776 L N -0.011 121.237 121.223 0.041 0.000 2.083 776 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 776 L C 2.690 179.547 176.870 -0.022 0.000 1.083 776 L CA 1.056 55.952 54.840 0.093 0.000 0.752 776 L CB -0.921 41.288 42.059 0.251 0.000 0.899 776 L HN 0.379 nan 8.230 nan 0.000 0.433 777 K N 0.402 120.590 120.400 -0.355 0.000 2.097 777 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 777 K C 1.403 177.829 176.600 -0.290 0.000 1.049 777 K CA 1.736 57.601 56.287 -0.703 0.000 0.933 777 K CB -0.093 31.848 32.500 -0.933 0.000 0.717 777 K HN 0.277 nan 8.250 nan 0.000 0.442 778 D N 0.290 120.586 120.400 -0.173 0.000 2.183 778 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 778 D C 1.959 178.223 176.300 -0.060 0.000 0.969 778 D CA 0.688 54.629 54.000 -0.098 0.000 0.842 778 D CB 0.050 40.810 40.800 -0.067 0.000 0.957 778 D HN 0.175 nan 8.370 nan 0.000 0.484 779 M N 0.212 119.786 119.600 -0.043 0.000 2.132 779 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 779 M C 2.251 178.545 176.300 -0.010 0.000 1.065 779 M CA 0.708 56.001 55.300 -0.011 0.000 1.122 779 M CB -0.734 31.874 32.600 0.013 0.000 1.365 779 M HN -0.084 nan 8.290 nan 0.000 0.411 780 V N 0.298 120.202 119.914 -0.017 0.000 2.453 780 V HA -0.137 3.983 4.120 -0.001 0.000 0.247 780 V C 2.669 178.744 176.094 -0.031 0.000 1.048 780 V CA 1.544 63.839 62.300 -0.009 0.000 1.049 780 V CB -1.234 30.601 31.823 0.020 0.000 0.672 780 V HN 0.459 nan 8.190 nan 0.000 0.457 781 A N -0.013 122.771 122.820 -0.058 0.000 1.972 781 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 781 A C 2.168 179.732 177.584 -0.034 0.000 1.169 781 A CA 1.978 53.983 52.037 -0.054 0.000 0.635 781 A CB -0.395 18.561 19.000 -0.075 0.000 0.810 781 A HN 0.550 nan 8.150 nan 0.000 0.446 782 E N 0.293 120.476 120.200 -0.028 0.000 2.072 782 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 782 E C 1.683 178.278 176.600 -0.010 0.000 0.982 782 E CA 1.199 57.589 56.400 -0.016 0.000 0.803 782 E CB -0.359 29.334 29.700 -0.012 0.000 0.755 782 E HN 0.635 nan 8.360 nan 0.000 0.453 783 I N 0.296 120.861 120.570 -0.008 0.000 2.179 783 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 783 I C 2.300 178.412 176.117 -0.007 0.000 1.088 783 I CA 1.269 62.566 61.300 -0.004 0.000 1.357 783 I CB -0.251 37.747 38.000 -0.004 0.000 1.051 783 I HN 0.068 nan 8.210 nan 0.000 0.409 784 K N 1.579 121.971 120.400 -0.013 0.000 2.097 784 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 784 K C 2.035 178.628 176.600 -0.012 0.000 1.049 784 K CA 1.628 57.907 56.287 -0.014 0.000 0.933 784 K CB -0.357 32.131 32.500 -0.020 0.000 0.717 784 K HN 0.276 nan 8.250 nan 0.000 0.442 785 A N -0.168 122.645 122.820 -0.013 0.000 1.933 785 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 785 A C 2.183 179.764 177.584 -0.005 0.000 1.175 785 A CA 2.063 54.093 52.037 -0.010 0.000 0.628 785 A CB -0.718 18.275 19.000 -0.012 0.000 0.814 785 A HN 0.354 nan 8.150 nan 0.000 0.444 786 S N -1.794 113.904 115.700 -0.003 0.000 2.447 786 S HA 0.233 4.703 4.470 -0.001 0.000 0.233 786 S C 1.532 176.135 174.600 0.004 0.000 1.006 786 S CA 1.255 59.456 58.200 0.002 0.000 0.957 786 S CB -0.120 63.083 63.200 0.006 0.000 0.773 786 S HN 1.682 nan 8.310 nan 0.000 0.507 787 G N 0.581 109.382 108.800 0.001 0.000 2.168 787 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.197 787 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.197 787 G C 0.086 174.988 174.900 0.003 0.000 0.997 787 G CA -0.179 44.922 45.100 0.002 0.000 0.658 787 G HN 0.804 nan 8.290 nan 0.000 0.513 788 A N 0.260 123.082 122.820 0.003 0.000 2.407 788 A HA 0.638 4.958 4.320 -0.001 0.000 0.248 788 A C 0.938 178.518 177.584 -0.007 0.000 1.082 788 A CA 0.943 52.982 52.037 0.003 0.000 0.785 788 A CB 0.251 19.254 19.000 0.005 0.000 1.020 788 A HN 1.297 nan 8.150 nan 0.000 0.489 789 N N -0.637 118.056 118.700 -0.011 0.000 2.036 789 N HA 0.201 4.941 4.740 -0.001 0.000 0.228 789 N C -0.958 174.525 175.510 -0.045 0.000 1.368 789 N CA 0.054 53.090 53.050 -0.024 0.000 0.846 789 N CB 0.481 38.959 38.487 -0.015 0.000 1.145 789 N HN 0.268 nan 8.380 nan 0.000 0.502 790 V N 1.519 121.403 119.914 -0.050 0.000 2.656 790 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 790 V C -1.144 174.861 176.094 -0.148 0.000 1.051 790 V CA -0.770 61.456 62.300 -0.122 0.000 0.893 790 V CB 2.401 34.196 31.823 -0.047 0.000 0.999 790 V HN 0.230 nan 8.190 nan 0.000 0.426 791 L N 5.459 126.495 121.223 -0.312 0.000 2.441 791 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 791 L C -1.927 174.706 176.870 -0.395 0.000 0.973 791 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 791 L CB 1.599 43.589 42.059 -0.115 0.000 1.239 791 L HN 0.598 nan 8.230 nan 0.000 0.406 792 F N 4.391 124.344 119.950 0.006 0.000 2.402 792 F HA 0.360 4.887 4.527 -0.001 0.000 0.355 792 F C 0.397 176.200 175.800 0.005 0.000 1.123 792 F CA -0.478 57.524 58.000 0.004 0.000 1.021 792 F CB 1.491 40.491 39.000 -0.001 0.000 1.160 792 F HN 0.437 nan 8.300 nan 0.000 0.451 793 C N 5.191 124.578 119.300 0.145 0.000 2.281 793 C HA 0.221 4.680 4.460 -0.001 0.000 0.325 793 C C 1.626 176.669 174.990 0.088 0.000 1.282 793 C CA -0.473 58.600 59.018 0.091 0.000 1.640 793 C CB 0.647 28.417 27.740 0.050 0.000 2.288 793 C HN 0.960 nan 8.230 nan 0.000 0.507 794 Q N 3.533 123.375 119.800 0.070 0.000 2.170 794 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 794 Q C 0.752 176.775 176.000 0.038 0.000 0.976 794 Q CA 1.632 57.465 55.803 0.049 0.000 0.858 794 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 794 Q HN 0.761 nan 8.270 nan 0.000 0.433 795 K N -1.159 119.263 120.400 0.036 0.000 2.632 795 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 795 K C 0.319 176.937 176.600 0.030 0.000 1.028 795 K CA -0.202 56.103 56.287 0.028 0.000 1.045 795 K CB 0.188 32.702 32.500 0.024 0.000 1.400 795 K HN 0.112 nan 8.250 nan 0.000 0.522 796 G N 0.261 109.075 108.800 0.024 0.000 2.599 796 G HA2 0.436 4.396 3.960 -0.001 0.000 0.264 796 G HA3 0.436 4.396 3.960 -0.001 0.000 0.264 796 G C -0.529 174.385 174.900 0.023 0.000 1.200 796 G CA -0.528 44.585 45.100 0.022 0.000 0.896 796 G HN 0.367 nan 8.290 nan 0.000 0.536 797 I N 0.246 120.828 120.570 0.021 0.000 2.499 797 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 797 I C -0.495 175.635 176.117 0.022 0.000 1.048 797 I CA -0.788 60.525 61.300 0.023 0.000 1.062 797 I CB 2.158 40.168 38.000 0.017 0.000 1.238 797 I HN 0.429 nan 8.210 nan 0.000 0.426 798 D N 5.317 125.736 120.400 0.031 0.000 2.443 798 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 798 D C 0.756 177.067 176.300 0.018 0.000 1.136 798 D CA 0.061 54.078 54.000 0.028 0.000 0.879 798 D CB 1.331 42.157 40.800 0.043 0.000 1.195 798 D HN 0.639 nan 8.370 nan 0.000 0.443 799 D N 3.567 123.969 120.400 0.002 0.000 2.158 799 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 799 D C 1.955 178.233 176.300 -0.036 0.000 0.995 799 D CA 0.777 54.769 54.000 -0.015 0.000 0.846 799 D CB -0.372 40.413 40.800 -0.024 0.000 0.941 799 D HN 0.363 nan 8.370 nan 0.000 0.456 800 L N 0.561 121.755 121.223 -0.048 0.000 2.072 800 L HA 0.148 4.488 4.340 -0.001 0.000 0.205 800 L C 2.378 179.162 176.870 -0.144 0.000 1.079 800 L CA 1.860 56.620 54.840 -0.135 0.000 0.752 800 L CB -0.991 41.018 42.059 -0.084 0.000 0.906 800 L HN 0.102 nan 8.230 nan 0.000 0.436 801 A N -1.127 121.722 122.820 0.048 0.000 1.972 801 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 801 A C 2.165 179.805 177.584 0.093 0.000 1.169 801 A CA 1.733 53.870 52.037 0.166 0.000 0.635 801 A CB -0.521 18.561 19.000 0.136 0.000 0.810 801 A HN 0.667 nan 8.150 nan 0.000 0.446 802 Q N -1.654 118.167 119.800 0.034 0.000 2.124 802 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 802 Q C 2.046 178.056 176.000 0.016 0.000 0.977 802 Q CA 1.683 57.497 55.803 0.019 0.000 0.850 802 Q CB -0.318 28.426 28.738 0.010 0.000 0.901 802 Q HN 0.933 nan 8.270 nan 0.000 0.429 803 H N -0.390 118.611 119.070 -0.115 0.000 2.353 803 H HA -0.172 4.383 4.556 -0.001 0.000 0.300 803 H C 1.357 176.633 175.328 -0.087 0.000 1.090 803 H CA 1.717 57.674 56.048 -0.151 0.000 1.327 803 H CB -0.080 29.517 29.762 -0.275 0.000 1.383 803 H HN 0.224 nan 8.280 nan 0.000 0.508 804 Y N 0.178 120.455 120.300 -0.039 0.000 2.224 804 Y HA -0.133 4.416 4.550 -0.001 0.000 0.289 804 Y C 2.567 178.404 175.900 -0.104 0.000 1.146 804 Y CA 1.039 59.086 58.100 -0.089 0.000 1.182 804 Y CB -0.645 37.813 38.460 -0.004 0.000 0.983 804 Y HN 0.219 nan 8.280 nan 0.000 0.524 805 L N -1.036 120.234 121.223 0.079 0.000 2.046 805 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 805 L C 2.641 179.490 176.870 -0.035 0.000 1.077 805 L CA 1.238 56.086 54.840 0.014 0.000 0.747 805 L CB -0.831 41.229 42.059 0.003 0.000 0.896 805 L HN 0.183 nan 8.230 nan 0.000 0.432 806 A N -0.122 122.656 122.820 -0.069 0.000 1.930 806 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 806 A C 2.368 179.880 177.584 -0.119 0.000 1.175 806 A CA 1.822 53.804 52.037 -0.092 0.000 0.627 806 A CB -0.425 18.518 19.000 -0.096 0.000 0.815 806 A HN 0.328 nan 8.150 nan 0.000 0.443 807 K N -0.425 119.867 120.400 -0.180 0.000 2.147 807 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 807 K C 1.032 177.596 176.600 -0.059 0.000 1.049 807 K CA 1.485 57.686 56.287 -0.143 0.000 0.936 807 K CB 0.004 32.420 32.500 -0.140 0.000 0.722 807 K HN 0.334 nan 8.250 nan 0.000 0.446 808 E N -0.717 119.460 120.200 -0.039 0.000 2.479 808 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 808 E C 0.687 177.270 176.600 -0.028 0.000 1.049 808 E CA 0.665 57.050 56.400 -0.026 0.000 0.870 808 E CB 0.827 30.516 29.700 -0.018 0.000 0.944 808 E HN 0.538 nan 8.360 nan 0.000 0.492 809 G N 1.925 110.704 108.800 -0.036 0.000 2.160 809 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 809 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 809 G C 0.228 175.107 174.900 -0.034 0.000 1.022 809 G CA 0.100 45.181 45.100 -0.032 0.000 0.741 809 G HN 0.271 nan 8.290 nan 0.000 0.508 810 I N 1.134 121.680 120.570 -0.040 0.000 2.325 810 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 810 I C 1.073 177.150 176.117 -0.066 0.000 1.019 810 I CA -1.054 60.216 61.300 -0.049 0.000 1.302 810 I CB 1.492 39.466 38.000 -0.043 0.000 1.401 810 I HN 0.153 nan 8.210 nan 0.000 0.485 811 V N 3.909 123.771 119.914 -0.085 0.000 2.546 811 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 811 V C 0.094 176.071 176.094 -0.195 0.000 1.050 811 V CA -0.253 61.980 62.300 -0.112 0.000 0.981 811 V CB 1.100 32.864 31.823 -0.098 0.000 0.990 811 V HN 0.834 nan 8.190 nan 0.000 0.474 812 A N 3.534 126.239 122.820 -0.191 0.000 2.549 812 A HA 1.015 5.335 4.320 -0.001 0.000 0.297 812 A C -0.399 177.067 177.584 -0.196 0.000 1.061 812 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 812 A CB 1.819 20.739 19.000 -0.133 0.000 1.287 812 A HN 2.381 nan 8.150 nan 0.000 0.402 813 A N 1.387 124.075 122.820 -0.220 0.000 2.449 813 A HA 0.847 5.167 4.320 -0.001 0.000 0.302 813 A C -0.302 177.295 177.584 0.022 0.000 1.048 813 A CA -0.607 51.398 52.037 -0.053 0.000 0.708 813 A CB 1.157 20.184 19.000 0.045 0.000 1.274 813 A HN 1.403 nan 8.150 nan 0.000 0.410 814 R N 1.387 121.909 120.500 0.037 0.000 2.832 814 R HA 0.795 5.135 4.340 -0.001 0.000 0.271 814 R C -0.470 175.861 176.300 0.052 0.000 0.996 814 R CA -0.768 55.358 56.100 0.044 0.000 0.977 814 R CB 0.801 31.115 30.300 0.025 0.000 1.168 814 R HN 0.577 nan 8.270 nan 0.000 0.482 815 R N -0.137 120.391 120.500 0.048 0.000 3.532 815 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 815 R C -0.773 175.553 176.300 0.043 0.000 1.140 815 R CA 0.602 56.725 56.100 0.038 0.000 0.768 815 R CB -2.349 27.967 30.300 0.027 0.000 1.252 815 R HN 0.548 nan 8.270 nan 0.000 0.454 816 V N 1.497 121.449 119.914 0.064 0.000 2.572 816 V HA 0.063 4.182 4.120 -0.001 0.000 0.291 816 V C 1.426 177.531 176.094 0.018 0.000 1.039 816 V CA -0.111 62.223 62.300 0.057 0.000 1.055 816 V CB 1.332 33.215 31.823 0.101 0.000 0.969 816 V HN 0.137 nan 8.190 nan 0.000 0.482 817 K N 4.157 124.554 120.400 -0.004 0.000 2.448 817 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 817 K C 1.388 177.975 176.600 -0.022 0.000 1.009 817 K CA -0.242 56.037 56.287 -0.014 0.000 0.995 817 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 817 K HN 0.609 nan 8.250 nan 0.000 0.481 818 K N 2.141 122.532 120.400 -0.014 0.000 2.074 818 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 818 K C 1.766 178.349 176.600 -0.028 0.000 1.048 818 K CA 1.956 58.234 56.287 -0.016 0.000 0.926 818 K CB -0.229 32.266 32.500 -0.009 0.000 0.713 818 K HN 0.683 nan 8.250 nan 0.000 0.444 819 S N 1.038 116.719 115.700 -0.031 0.000 2.370 819 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 819 S C 1.378 175.941 174.600 -0.061 0.000 1.033 819 S CA 1.794 59.971 58.200 -0.040 0.000 1.011 819 S CB -0.216 62.962 63.200 -0.036 0.000 0.852 819 S HN 0.303 nan 8.310 nan 0.000 0.457 820 D N 0.836 121.191 120.400 -0.076 0.000 2.144 820 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 820 D C 2.001 178.207 176.300 -0.155 0.000 0.984 820 D CA 0.921 54.848 54.000 -0.123 0.000 0.834 820 D CB -0.252 40.471 40.800 -0.130 0.000 0.955 820 D HN 0.384 nan 8.370 nan 0.000 0.465 821 M N 0.450 119.986 119.600 -0.107 0.000 2.159 821 M HA -0.082 4.398 4.480 -0.001 0.000 0.263 821 M C 1.902 178.156 176.300 -0.077 0.000 1.063 821 M CA 1.193 56.438 55.300 -0.091 0.000 1.110 821 M CB -0.776 31.805 32.600 -0.033 0.000 1.374 821 M HN 0.111 nan 8.290 nan 0.000 0.411 822 E N 0.088 120.252 120.200 -0.061 0.000 2.072 822 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 822 E C 2.061 178.628 176.600 -0.056 0.000 0.982 822 E CA 0.836 57.208 56.400 -0.046 0.000 0.803 822 E CB -0.006 29.673 29.700 -0.034 0.000 0.755 822 E HN 0.500 nan 8.360 nan 0.000 0.453 823 K N 0.649 121.004 120.400 -0.075 0.000 2.097 823 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 823 K C 2.200 178.745 176.600 -0.091 0.000 1.049 823 K CA 0.810 57.050 56.287 -0.077 0.000 0.933 823 K CB -0.088 32.358 32.500 -0.090 0.000 0.717 823 K HN 0.111 nan 8.250 nan 0.000 0.442 824 L N 0.507 121.649 121.223 -0.135 0.000 2.083 824 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 824 L C 2.585 179.412 176.870 -0.072 0.000 1.083 824 L CA 1.082 55.833 54.840 -0.149 0.000 0.752 824 L CB -0.548 41.347 42.059 -0.274 0.000 0.899 824 L HN 0.198 nan 8.230 nan 0.000 0.433 825 A N -0.268 122.521 122.820 -0.052 0.000 1.898 825 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 825 A C 2.340 179.917 177.584 -0.012 0.000 1.181 825 A CA 1.320 53.345 52.037 -0.020 0.000 0.620 825 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 825 A HN 0.187 nan 8.150 nan 0.000 0.442 826 K N -0.007 120.381 120.400 -0.020 0.000 2.002 826 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 826 K C 2.342 178.941 176.600 -0.002 0.000 1.048 826 K CA 1.443 57.723 56.287 -0.011 0.000 0.930 826 K CB -0.876 31.614 32.500 -0.016 0.000 0.714 826 K HN 0.435 nan 8.250 nan 0.000 0.438 827 A N 1.270 124.084 122.820 -0.011 0.000 1.841 827 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 827 A C 2.380 179.972 177.584 0.014 0.000 1.195 827 A CA 2.727 54.764 52.037 -0.001 0.000 0.611 827 A CB -1.076 17.915 19.000 -0.016 0.000 0.835 827 A HN 0.517 nan 8.150 nan 0.000 0.443 828 T N -4.473 110.086 114.554 0.010 0.000 3.043 828 T HA 0.368 4.718 4.350 -0.001 0.000 0.263 828 T C 1.490 176.209 174.700 0.032 0.000 1.094 828 T CA 1.252 63.367 62.100 0.025 0.000 1.127 828 T CB -0.070 68.817 68.868 0.032 0.000 0.905 828 T HN 1.833 nan 8.240 nan 0.000 0.490 829 G N 1.467 110.282 108.800 0.025 0.000 2.143 829 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.249 829 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.249 829 G C 0.280 175.195 174.900 0.025 0.000 0.981 829 G CA -0.003 45.112 45.100 0.026 0.000 0.665 829 G HN 1.185 nan 8.290 nan 0.000 0.528 830 A N -0.285 122.552 122.820 0.027 0.000 2.445 830 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 830 A C 0.429 178.028 177.584 0.026 0.000 1.075 830 A CA 0.674 52.733 52.037 0.035 0.000 0.777 830 A CB 0.390 19.422 19.000 0.052 0.000 1.013 830 A HN 0.885 nan 8.150 nan 0.000 0.493 831 N N 1.487 120.204 118.700 0.030 0.000 2.417 831 N HA 0.375 5.115 4.740 -0.001 0.000 0.274 831 N C -1.009 174.517 175.510 0.027 0.000 0.987 831 N CA -0.421 52.643 53.050 0.023 0.000 0.912 831 N CB 1.376 39.875 38.487 0.020 0.000 1.177 831 N HN 0.283 nan 8.380 nan 0.000 0.490 832 V N 4.816 124.743 119.914 0.022 0.000 2.485 832 V HA 0.177 4.297 4.120 -0.001 0.000 0.287 832 V C 0.335 176.443 176.094 0.022 0.000 1.022 832 V CA -0.070 62.245 62.300 0.025 0.000 1.067 832 V CB -0.116 31.716 31.823 0.016 0.000 0.967 832 V HN 0.516 nan 8.190 nan 0.000 0.479 833 I N 4.126 124.712 120.570 0.027 0.000 2.404 833 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 833 I C 1.026 177.156 176.117 0.022 0.000 0.992 833 I CA -0.369 60.944 61.300 0.022 0.000 1.149 833 I CB 1.408 39.421 38.000 0.022 0.000 1.315 833 I HN 0.626 nan 8.210 nan 0.000 0.446 834 A N 5.379 128.210 122.820 0.017 0.000 1.872 834 A HA 0.313 4.632 4.320 -0.001 0.000 0.214 834 A C 1.111 178.705 177.584 0.017 0.000 1.187 834 A CA 1.118 53.165 52.037 0.016 0.000 0.614 834 A CB -0.037 18.971 19.000 0.013 0.000 0.826 834 A HN 0.734 nan 8.150 nan 0.000 0.442 835 A N -0.906 121.923 122.820 0.015 0.000 2.317 835 A HA 0.654 4.974 4.320 -0.001 0.000 0.327 835 A C 0.768 178.361 177.584 0.015 0.000 1.178 835 A CA -0.600 51.446 52.037 0.015 0.000 0.817 835 A CB 0.422 19.430 19.000 0.012 0.000 1.189 835 A HN 0.306 nan 8.150 nan 0.000 0.489 836 I N 1.898 122.478 120.570 0.015 0.000 2.264 836 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 836 I C 2.754 178.877 176.117 0.010 0.000 1.111 836 I CA 1.797 63.106 61.300 0.014 0.000 1.382 836 I CB -0.207 37.802 38.000 0.014 0.000 1.060 836 I HN 0.760 nan 8.210 nan 0.000 0.418 837 A N 0.658 123.484 122.820 0.009 0.000 1.972 837 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 837 A C 2.422 180.010 177.584 0.006 0.000 1.169 837 A CA 1.724 53.764 52.037 0.006 0.000 0.635 837 A CB -0.657 18.347 19.000 0.006 0.000 0.810 837 A HN 0.448 nan 8.150 nan 0.000 0.446 838 A N -0.700 122.125 122.820 0.009 0.000 2.206 838 A HA 0.340 4.660 4.320 -0.001 0.000 0.211 838 A C 0.916 178.506 177.584 0.010 0.000 1.158 838 A CA -0.122 51.920 52.037 0.009 0.000 0.761 838 A CB -0.494 18.512 19.000 0.010 0.000 0.801 838 A HN 0.457 nan 8.150 nan 0.000 0.473 839 L N 1.525 122.754 121.223 0.010 0.000 2.490 839 L HA 0.193 4.533 4.340 -0.001 0.000 0.274 839 L C 0.719 177.594 176.870 0.009 0.000 1.201 839 L CA 0.167 55.014 54.840 0.011 0.000 0.869 839 L CB 0.560 42.625 42.059 0.011 0.000 1.123 839 L HN 0.470 nan 8.230 nan 0.000 0.484 840 S N 1.315 117.021 115.700 0.010 0.000 2.651 840 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 840 S C 0.438 175.044 174.600 0.011 0.000 1.148 840 S CA -0.283 57.922 58.200 0.009 0.000 0.837 840 S CB 1.651 64.856 63.200 0.008 0.000 1.138 840 S HN 0.598 nan 8.310 nan 0.000 0.478 841 A N 0.589 123.414 122.820 0.009 0.000 1.978 841 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 841 A C 1.947 179.539 177.584 0.014 0.000 1.170 841 A CA 1.331 53.375 52.037 0.011 0.000 0.636 841 A CB -0.844 18.161 19.000 0.009 0.000 0.810 841 A HN 0.730 nan 8.150 nan 0.000 0.448 842 Q N 0.121 119.928 119.800 0.013 0.000 2.436 842 Q HA -0.091 4.249 4.340 -0.001 0.000 0.209 842 Q C 0.388 176.398 176.000 0.017 0.000 0.965 842 Q CA 0.938 56.749 55.803 0.014 0.000 0.910 842 Q CB -0.189 28.556 28.738 0.011 0.000 0.980 842 Q HN 0.658 nan 8.270 nan 0.000 0.491 843 D N -0.183 120.228 120.400 0.018 0.000 2.339 843 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 843 D C 0.407 176.724 176.300 0.028 0.000 1.050 843 D CA 0.104 54.117 54.000 0.022 0.000 0.856 843 D CB 0.607 41.419 40.800 0.021 0.000 0.922 843 D HN 0.197 nan 8.370 nan 0.000 0.518 844 L N 0.777 122.017 121.223 0.028 0.000 2.371 844 L HA 0.430 4.770 4.340 -0.001 0.000 0.272 844 L C 1.120 178.012 176.870 0.036 0.000 1.124 844 L CA -0.530 54.330 54.840 0.034 0.000 0.816 844 L CB 1.393 43.469 42.059 0.029 0.000 1.129 844 L HN -0.137 nan 8.230 nan 0.000 0.448 845 G N 1.120 109.947 108.800 0.045 0.000 2.471 845 G HA2 0.481 4.440 3.960 -0.001 0.000 0.332 845 G HA3 0.481 4.440 3.960 -0.001 0.000 0.332 845 G C -1.247 173.680 174.900 0.046 0.000 1.176 845 G CA -0.459 44.667 45.100 0.044 0.000 0.949 845 G HN 0.519 nan 8.290 nan 0.000 0.488 846 D N -0.177 120.248 120.400 0.040 0.000 2.248 846 D HA 0.620 5.260 4.640 -0.001 0.000 0.246 846 D C -0.285 176.034 176.300 0.033 0.000 1.027 846 D CA 0.042 54.063 54.000 0.034 0.000 0.853 846 D CB 2.137 42.952 40.800 0.026 0.000 1.243 846 D HN 0.580 nan 8.370 nan 0.000 0.462 847 A N 0.427 123.268 122.820 0.035 0.000 2.486 847 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 847 A C 0.928 178.527 177.584 0.026 0.000 1.048 847 A CA -0.420 51.638 52.037 0.035 0.000 0.696 847 A CB 1.718 20.755 19.000 0.062 0.000 1.278 847 A HN 0.500 nan 8.150 nan 0.000 0.405 848 G N 0.223 109.033 108.800 0.016 0.000 2.404 848 G HA2 0.291 4.251 3.960 -0.001 0.000 0.215 848 G HA3 0.291 4.251 3.960 -0.001 0.000 0.215 848 G C 0.305 175.218 174.900 0.021 0.000 1.174 848 G CA 1.680 46.786 45.100 0.009 0.000 0.780 848 G HN 1.158 nan 8.290 nan 0.000 0.537 849 L N -0.047 121.198 121.223 0.036 0.000 2.493 849 L HA 0.647 4.987 4.340 -0.001 0.000 0.265 849 L C -1.354 175.563 176.870 0.079 0.000 0.954 849 L CA -0.807 54.060 54.840 0.046 0.000 0.844 849 L CB 2.578 44.657 42.059 0.033 0.000 1.302 849 L HN -0.121 nan 8.230 nan 0.000 0.405 850 V N 4.427 124.391 119.914 0.084 0.000 2.376 850 V HA 0.639 4.758 4.120 -0.001 0.000 0.287 850 V C -0.538 175.620 176.094 0.106 0.000 1.015 850 V CA -0.441 61.932 62.300 0.122 0.000 0.834 850 V CB 1.420 33.320 31.823 0.128 0.000 1.001 850 V HN 0.829 nan 8.190 nan 0.000 0.428 851 E N 3.155 123.442 120.200 0.145 0.000 2.308 851 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 851 E C -1.020 175.686 176.600 0.177 0.000 0.890 851 E CA -0.655 55.817 56.400 0.119 0.000 0.754 851 E CB 2.193 31.937 29.700 0.073 0.000 1.207 851 E HN 0.751 nan 8.360 nan 0.000 0.426 852 E N 4.331 124.605 120.200 0.123 0.000 2.152 852 E HA 0.237 4.586 4.350 -0.001 0.000 0.285 852 E C -0.907 175.770 176.600 0.127 0.000 1.043 852 E CA -0.206 56.274 56.400 0.133 0.000 0.839 852 E CB 0.678 30.425 29.700 0.078 0.000 1.069 852 E HN 0.351 nan 8.360 nan 0.000 0.399 853 R N 3.701 124.320 120.500 0.199 0.000 2.686 853 R HA 0.396 4.736 4.340 -0.001 0.000 0.283 853 R C -0.818 175.579 176.300 0.162 0.000 0.978 853 R CA -0.908 55.281 56.100 0.148 0.000 0.897 853 R CB 2.021 32.381 30.300 0.101 0.000 1.192 853 R HN 0.333 nan 8.270 nan 0.000 0.457 854 K N 2.679 123.136 120.400 0.093 0.000 2.367 854 K HA 0.406 4.726 4.320 -0.001 0.000 0.263 854 K C -0.885 175.758 176.600 0.072 0.000 1.000 854 K CA -0.490 55.845 56.287 0.080 0.000 0.891 854 K CB 1.215 33.745 32.500 0.049 0.000 1.117 854 K HN 0.290 nan 8.250 nan 0.000 0.443 855 I N 1.687 122.312 120.570 0.092 0.000 2.382 855 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 855 I C 0.575 176.724 176.117 0.054 0.000 1.002 855 I CA -0.053 61.293 61.300 0.076 0.000 1.135 855 I CB 1.907 39.978 38.000 0.118 0.000 1.288 855 I HN 0.667 nan 8.210 nan 0.000 0.448 856 S N 4.432 120.153 115.700 0.036 0.000 3.672 856 S HA -0.181 4.288 4.470 -0.001 0.000 0.319 856 S C 1.264 175.877 174.600 0.022 0.000 1.151 856 S CA 1.370 59.585 58.200 0.025 0.000 0.911 856 S CB -1.248 61.966 63.200 0.023 0.000 0.939 856 S HN 1.697 nan 8.310 nan 0.000 0.524 857 G N -0.021 108.794 108.800 0.024 0.000 2.383 857 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.229 857 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.229 857 G C -0.294 174.621 174.900 0.026 0.000 1.089 857 G CA 0.291 45.403 45.100 0.021 0.000 0.640 857 G HN 0.688 nan 8.290 nan 0.000 0.510 858 D N 1.266 121.683 120.400 0.029 0.000 2.345 858 D HA 0.471 5.110 4.640 -0.001 0.000 0.247 858 D C 0.446 176.773 176.300 0.045 0.000 1.108 858 D CA 0.646 54.663 54.000 0.029 0.000 0.894 858 D CB 1.573 42.386 40.800 0.021 0.000 1.203 858 D HN 0.258 nan 8.370 nan 0.000 0.430 859 S N 2.048 117.772 115.700 0.041 0.000 2.523 859 S HA 0.482 4.952 4.470 -0.001 0.000 0.275 859 S C -0.132 174.498 174.600 0.050 0.000 1.281 859 S CA -0.729 57.505 58.200 0.056 0.000 1.050 859 S CB 0.047 63.275 63.200 0.046 0.000 0.937 859 S HN 0.406 nan 8.310 nan 0.000 0.492 860 M N 4.536 124.183 119.600 0.078 0.000 2.421 860 M HA 0.524 5.003 4.480 -0.001 0.000 0.287 860 M C -1.867 174.471 176.300 0.064 0.000 1.183 860 M CA -0.642 54.666 55.300 0.013 0.000 0.916 860 M CB 1.085 33.638 32.600 -0.079 0.000 1.701 860 M HN 0.419 nan 8.290 nan 0.000 0.470 861 I N 2.918 123.492 120.570 0.006 0.000 2.336 861 I HA 0.422 4.591 4.170 -0.001 0.000 0.292 861 I C -1.169 174.929 176.117 -0.033 0.000 0.991 861 I CA -0.393 60.973 61.300 0.110 0.000 1.227 861 I CB 1.114 39.234 38.000 0.199 0.000 1.366 861 I HN 0.503 nan 8.210 nan 0.000 0.466 862 F N 5.826 125.814 119.950 0.063 0.000 2.391 862 F HA 0.352 4.878 4.527 -0.001 0.000 0.359 862 F C 0.137 175.970 175.800 0.056 0.000 1.122 862 F CA -0.647 57.378 58.000 0.042 0.000 1.120 862 F CB 1.289 40.305 39.000 0.027 0.000 1.142 862 F HN 0.031 nan 8.300 nan 0.000 0.483 863 V N 4.381 124.387 119.914 0.152 0.000 2.293 863 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 863 V C -0.307 175.846 176.094 0.098 0.000 1.021 863 V CA -0.559 61.812 62.300 0.118 0.000 0.815 863 V CB 0.486 32.348 31.823 0.065 0.000 1.025 863 V HN 0.824 nan 8.190 nan 0.000 0.448 864 E N 3.046 123.310 120.200 0.107 0.000 2.433 864 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 864 E C -0.691 175.937 176.600 0.048 0.000 0.950 864 E CA -0.872 55.578 56.400 0.083 0.000 0.796 864 E CB 1.619 31.385 29.700 0.110 0.000 1.330 864 E HN 0.194 nan 8.360 nan 0.000 0.455 865 E N -0.954 119.263 120.200 0.028 0.000 2.553 865 E HA -0.161 4.189 4.350 -0.001 0.000 0.264 865 E C -0.490 176.104 176.600 -0.010 0.000 1.068 865 E CA 0.677 57.080 56.400 0.005 0.000 0.774 865 E CB -2.478 27.225 29.700 0.004 0.000 1.349 865 E HN 0.593 nan 8.360 nan 0.000 0.404 866 C N 0.469 119.765 119.300 -0.007 0.000 2.705 866 C HA 0.071 4.531 4.460 -0.001 0.000 0.382 866 C C 2.362 177.308 174.990 -0.073 0.000 1.322 866 C CA -0.066 58.941 59.018 -0.018 0.000 2.290 866 C CB 0.423 28.164 27.740 0.002 0.000 2.650 866 C HN 0.408 nan 8.230 nan 0.000 0.695 867 K N 0.300 120.638 120.400 -0.103 0.000 1.969 867 K HA -0.106 4.214 4.320 -0.001 0.000 0.216 867 K C 0.416 176.717 176.600 -0.497 0.000 1.048 867 K CA 1.468 57.590 56.287 -0.275 0.000 0.948 867 K CB -0.113 32.276 32.500 -0.184 0.000 0.726 867 K HN 0.670 nan 8.250 nan 0.000 0.442 868 H N 0.246 119.322 119.070 0.010 0.000 2.448 868 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 868 H C -2.506 172.826 175.328 0.006 0.000 1.391 868 H CA -2.013 54.039 56.048 0.007 0.000 1.477 868 H CB 0.615 30.380 29.762 0.006 0.000 1.520 868 H HN 0.189 nan 8.280 nan 0.000 0.502 869 P HA 0.069 nan 4.420 nan 0.000 0.271 869 P C 0.681 178.010 177.300 0.047 0.000 1.226 869 P CA -0.405 62.721 63.100 0.045 0.000 0.765 869 P CB 1.673 33.387 31.700 0.023 0.000 0.835 870 K N 0.936 121.357 120.400 0.034 0.000 2.358 870 K HA 0.376 4.695 4.320 -0.001 0.000 0.197 870 K C 0.596 177.202 176.600 0.010 0.000 1.025 870 K CA 0.003 56.304 56.287 0.023 0.000 1.104 870 K CB 0.741 33.252 32.500 0.019 0.000 0.855 870 K HN 0.551 nan 8.250 nan 0.000 0.531 871 A N 0.899 123.722 122.820 0.005 0.000 2.486 871 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 871 A C -0.558 177.023 177.584 -0.005 0.000 1.048 871 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 871 A CB 1.515 20.504 19.000 -0.019 0.000 1.278 871 A HN -0.063 nan 8.150 nan 0.000 0.405 872 V N -1.215 118.695 119.914 -0.006 0.000 3.102 872 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 872 V C -0.433 175.654 176.094 -0.011 0.000 1.135 872 V CA -0.622 61.677 62.300 -0.002 0.000 1.022 872 V CB 1.639 33.467 31.823 0.008 0.000 1.056 872 V HN 0.900 nan 8.190 nan 0.000 0.436 873 T N 3.333 117.884 114.554 -0.005 0.000 2.861 873 T HA 0.580 4.930 4.350 -0.001 0.000 0.287 873 T C -0.631 174.072 174.700 0.006 0.000 1.003 873 T CA -0.259 61.831 62.100 -0.017 0.000 0.977 873 T CB 1.515 70.352 68.868 -0.051 0.000 0.996 873 T HN 0.982 nan 8.240 nan 0.000 0.448 874 M N 4.257 123.858 119.600 0.001 0.000 2.066 874 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 874 M C -1.502 174.806 176.300 0.014 0.000 1.053 874 M CA -1.103 54.206 55.300 0.015 0.000 0.983 874 M CB 0.572 33.178 32.600 0.010 0.000 1.520 874 M HN 0.476 nan 8.290 nan 0.000 0.428 875 L N 7.576 128.823 121.223 0.039 0.000 2.255 875 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 875 L C -1.231 175.663 176.870 0.041 0.000 1.046 875 L CA 0.064 54.932 54.840 0.047 0.000 0.816 875 L CB 0.514 42.639 42.059 0.110 0.000 1.197 875 L HN 0.673 nan 8.230 nan 0.000 0.427 876 I N 5.883 126.468 120.570 0.025 0.000 2.331 876 I HA 0.438 4.607 4.170 -0.001 0.000 0.292 876 I C 0.135 176.265 176.117 0.022 0.000 0.998 876 I CA -0.586 60.726 61.300 0.021 0.000 1.267 876 I CB 0.583 38.590 38.000 0.013 0.000 1.386 876 I HN 0.526 nan 8.210 nan 0.000 0.476 877 R N 4.123 124.637 120.500 0.023 0.000 2.873 877 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 877 R C -0.273 176.037 176.300 0.017 0.000 1.026 877 R CA -1.041 55.071 56.100 0.021 0.000 1.002 877 R CB 1.944 32.259 30.300 0.025 0.000 1.174 877 R HN 0.864 nan 8.270 nan 0.000 0.488 878 G N -1.033 107.776 108.800 0.015 0.000 2.340 878 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 878 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 878 G C -0.073 174.834 174.900 0.013 0.000 1.498 878 G CA -0.250 44.859 45.100 0.014 0.000 0.847 878 G HN 0.377 nan 8.290 nan 0.000 0.594 879 T N -0.551 114.012 114.554 0.015 0.000 3.035 879 T HA 0.315 4.665 4.350 -0.001 0.000 0.268 879 T C 0.777 175.485 174.700 0.014 0.000 1.109 879 T CA 2.113 64.222 62.100 0.014 0.000 1.119 879 T CB -0.236 68.642 68.868 0.016 0.000 0.900 879 T HN 0.699 nan 8.240 nan 0.000 0.503 880 T N 0.193 114.756 114.554 0.016 0.000 2.894 880 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 880 T C 0.284 174.980 174.700 -0.007 0.000 1.208 880 T CA -0.682 61.426 62.100 0.013 0.000 1.016 880 T CB 2.160 71.054 68.868 0.043 0.000 1.192 880 T HN -0.078 nan 8.240 nan 0.000 0.491 881 E N 0.707 120.870 120.200 -0.061 0.000 2.085 881 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 881 E C 1.566 178.085 176.600 -0.136 0.000 0.994 881 E CA 1.836 58.157 56.400 -0.133 0.000 0.801 881 E CB -0.059 29.500 29.700 -0.234 0.000 0.743 881 E HN 0.608 nan 8.360 nan 0.000 0.453 882 H N -0.884 118.189 119.070 0.005 0.000 2.495 882 H HA 0.018 4.574 4.556 -0.001 0.000 0.287 882 H C 2.036 177.367 175.328 0.005 0.000 1.033 882 H CA 1.148 57.199 56.048 0.004 0.000 1.307 882 H CB 0.110 29.874 29.762 0.004 0.000 1.401 882 H HN 0.113 nan 8.280 nan 0.000 0.555 883 V N 1.973 121.952 119.914 0.108 0.000 2.283 883 V HA -0.201 3.918 4.120 -0.001 0.000 0.243 883 V C 2.657 178.776 176.094 0.043 0.000 1.039 883 V CA 1.673 64.012 62.300 0.065 0.000 1.016 883 V CB -0.521 31.329 31.823 0.046 0.000 0.650 883 V HN 0.402 nan 8.190 nan 0.000 0.449 884 I N -1.076 119.509 120.570 0.026 0.000 2.756 884 I HA -0.151 4.019 4.170 -0.001 0.000 0.262 884 I C 2.240 178.366 176.117 0.015 0.000 1.225 884 I CA 1.861 63.170 61.300 0.015 0.000 1.472 884 I CB -0.499 37.502 38.000 0.003 0.000 1.094 884 I HN 0.422 nan 8.210 nan 0.000 0.454 885 E N 1.798 122.011 120.200 0.022 0.000 2.046 885 E HA -0.272 4.077 4.350 -0.001 0.000 0.190 885 E C 2.232 178.858 176.600 0.042 0.000 0.982 885 E CA 1.063 57.483 56.400 0.033 0.000 0.800 885 E CB -0.144 29.593 29.700 0.061 0.000 0.756 885 E HN 0.542 nan 8.360 nan 0.000 0.449 886 E N 0.596 120.829 120.200 0.054 0.000 2.153 886 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 886 E C 2.093 178.710 176.600 0.029 0.000 0.988 886 E CA 1.036 57.461 56.400 0.041 0.000 0.811 886 E CB 0.103 29.828 29.700 0.043 0.000 0.746 886 E HN 0.215 nan 8.360 nan 0.000 0.466 887 V N 1.376 121.306 119.914 0.027 0.000 2.358 887 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 887 V C 2.666 178.771 176.094 0.017 0.000 1.047 887 V CA 1.630 63.943 62.300 0.021 0.000 1.035 887 V CB -0.929 30.906 31.823 0.020 0.000 0.658 887 V HN 0.359 nan 8.190 nan 0.000 0.452 888 A N 0.508 123.337 122.820 0.015 0.000 1.908 888 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 888 A C 2.310 179.900 177.584 0.011 0.000 1.181 888 A CA 2.435 54.478 52.037 0.010 0.000 0.627 888 A CB -0.552 18.452 19.000 0.007 0.000 0.818 888 A HN 0.469 nan 8.150 nan 0.000 0.445 889 R N 0.035 120.543 120.500 0.014 0.000 2.075 889 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 889 R C 2.174 178.481 176.300 0.012 0.000 1.126 889 R CA 1.885 57.992 56.100 0.013 0.000 0.963 889 R CB -0.892 29.418 30.300 0.016 0.000 0.858 889 R HN 0.393 nan 8.270 nan 0.000 0.435 890 A N 0.133 122.962 122.820 0.015 0.000 1.883 890 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 890 A C 2.224 179.816 177.584 0.013 0.000 1.186 890 A CA 2.068 54.115 52.037 0.016 0.000 0.624 890 A CB -0.966 18.045 19.000 0.019 0.000 0.822 890 A HN 0.329 nan 8.150 nan 0.000 0.444 891 V N -2.436 117.485 119.914 0.012 0.000 2.871 891 V HA -0.117 4.002 4.120 -0.001 0.000 0.256 891 V C 1.913 178.011 176.094 0.007 0.000 1.082 891 V CA 2.016 64.322 62.300 0.010 0.000 1.105 891 V CB -0.660 31.168 31.823 0.009 0.000 0.713 891 V HN 0.549 nan 8.190 nan 0.000 0.473 892 D N 1.521 121.924 120.400 0.007 0.000 2.104 892 D HA -0.263 4.377 4.640 -0.001 0.000 0.194 892 D C 1.625 177.928 176.300 0.005 0.000 0.994 892 D CA 2.298 56.301 54.000 0.004 0.000 0.830 892 D CB -0.069 40.733 40.800 0.004 0.000 0.959 892 D HN 0.601 nan 8.370 nan 0.000 0.452 893 D N 0.109 120.513 120.400 0.007 0.000 2.144 893 D HA -0.061 4.579 4.640 -0.001 0.000 0.200 893 D C 2.039 178.343 176.300 0.007 0.000 0.978 893 D CA 1.369 55.373 54.000 0.007 0.000 0.833 893 D CB -0.262 40.543 40.800 0.008 0.000 0.961 893 D HN 0.255 nan 8.370 nan 0.000 0.470 894 A N 0.384 123.209 122.820 0.008 0.000 1.908 894 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 894 A C 2.364 179.952 177.584 0.006 0.000 1.181 894 A CA 1.179 53.221 52.037 0.008 0.000 0.627 894 A CB -0.838 18.167 19.000 0.009 0.000 0.818 894 A HN 0.152 nan 8.150 nan 0.000 0.445 895 V N -0.115 119.803 119.914 0.005 0.000 2.295 895 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 895 V C 2.829 178.926 176.094 0.004 0.000 1.049 895 V CA 2.010 64.313 62.300 0.004 0.000 1.024 895 V CB -1.493 30.332 31.823 0.003 0.000 0.648 895 V HN 0.618 nan 8.190 nan 0.000 0.447 896 G N 0.457 109.260 108.800 0.004 0.000 2.446 896 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 896 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 896 G C 1.724 176.626 174.900 0.004 0.000 1.168 896 G CA 1.663 46.765 45.100 0.003 0.000 0.771 896 G HN 0.593 nan 8.290 nan 0.000 0.551 897 V N -1.440 118.477 119.914 0.005 0.000 2.591 897 V HA -0.010 4.110 4.120 -0.001 0.000 0.249 897 V C 2.653 178.750 176.094 0.005 0.000 1.053 897 V CA 1.368 63.671 62.300 0.005 0.000 1.068 897 V CB -0.486 31.341 31.823 0.007 0.000 0.689 897 V HN 0.132 nan 8.190 nan 0.000 0.462 898 V N 1.991 121.908 119.914 0.005 0.000 2.453 898 V HA -0.024 4.095 4.120 -0.001 0.000 0.247 898 V C 2.904 179.000 176.094 0.004 0.000 1.048 898 V CA 2.139 64.441 62.300 0.005 0.000 1.049 898 V CB -1.298 30.527 31.823 0.005 0.000 0.672 898 V HN 0.625 nan 8.190 nan 0.000 0.457 899 G N -1.118 107.685 108.800 0.004 0.000 2.422 899 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 899 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 899 G C 1.722 176.624 174.900 0.003 0.000 1.146 899 G CA 1.291 46.393 45.100 0.003 0.000 0.769 899 G HN 0.536 nan 8.290 nan 0.000 0.547 900 C N 0.541 119.843 119.300 0.003 0.000 2.429 900 C HA -0.024 4.435 4.460 -0.001 0.000 0.277 900 C C 3.208 178.200 174.990 0.004 0.000 1.262 900 C CA 1.505 60.525 59.018 0.003 0.000 1.733 900 C CB -1.037 26.706 27.740 0.004 0.000 2.010 900 C HN 0.427 nan 8.230 nan 0.000 0.483 901 T N 1.101 115.657 114.554 0.004 0.000 2.833 901 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 901 T C 1.567 176.269 174.700 0.003 0.000 1.054 901 T CA 1.206 63.308 62.100 0.004 0.000 1.135 901 T CB -0.212 68.659 68.868 0.004 0.000 0.869 901 T HN 0.514 nan 8.240 nan 0.000 0.466 902 I N 0.460 121.032 120.570 0.003 0.000 2.480 902 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 902 I C 2.519 178.637 176.117 0.002 0.000 1.124 902 I CA 0.940 62.241 61.300 0.003 0.000 1.444 902 I CB -0.211 37.790 38.000 0.003 0.000 1.098 902 I HN 0.227 nan 8.210 nan 0.000 0.428 903 E N 0.133 120.334 120.200 0.002 0.000 2.110 903 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 903 E C 0.532 177.133 176.600 0.002 0.000 0.988 903 E CA 0.829 57.230 56.400 0.002 0.000 0.804 903 E CB 0.166 29.867 29.700 0.002 0.000 0.745 903 E HN 0.257 nan 8.360 nan 0.000 0.458 904 D N -1.046 119.355 120.400 0.002 0.000 2.620 904 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 904 D C -0.193 176.108 176.300 0.003 0.000 1.207 904 D CA -0.363 53.638 54.000 0.002 0.000 0.884 904 D CB 1.597 42.398 40.800 0.002 0.000 1.262 904 D HN 0.055 nan 8.370 nan 0.000 0.552 905 G N 3.396 112.198 108.800 0.002 0.000 3.340 905 G HA2 0.084 4.043 3.960 -0.001 0.000 0.240 905 G HA3 0.084 4.043 3.960 -0.001 0.000 0.240 905 G C 0.405 175.307 174.900 0.003 0.000 1.327 905 G CA -0.139 44.962 45.100 0.003 0.000 1.170 905 G HN 0.293 nan 8.290 nan 0.000 0.520 906 R N -0.459 120.043 120.500 0.004 0.000 2.621 906 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 906 R C -0.761 175.543 176.300 0.006 0.000 0.969 906 R CA -0.789 55.314 56.100 0.005 0.000 0.887 906 R CB 2.043 32.346 30.300 0.005 0.000 1.180 906 R HN 0.264 nan 8.270 nan 0.000 0.450 907 I N -1.050 119.524 120.570 0.007 0.000 3.002 907 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 907 I C -0.538 175.587 176.117 0.012 0.000 1.087 907 I CA -1.188 60.118 61.300 0.009 0.000 1.017 907 I CB 2.084 40.089 38.000 0.009 0.000 1.226 907 I HN 0.359 nan 8.210 nan 0.000 0.443 908 V N -0.141 119.782 119.914 0.015 0.000 2.962 908 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 908 V C 0.060 176.168 176.094 0.024 0.000 1.099 908 V CA -0.467 61.846 62.300 0.021 0.000 0.971 908 V CB 1.124 32.959 31.823 0.020 0.000 1.028 908 V HN 1.139 nan 8.190 nan 0.000 0.430 909 S N 2.180 117.900 115.700 0.033 0.000 2.562 909 S HA 0.649 5.119 4.470 -0.001 0.000 0.281 909 S C 0.589 175.209 174.600 0.033 0.000 1.333 909 S CA 0.160 58.383 58.200 0.037 0.000 1.052 909 S CB 0.867 64.098 63.200 0.052 0.000 0.884 909 S HN 1.773 nan 8.310 nan 0.000 0.506 910 G N 0.576 109.395 108.800 0.032 0.000 2.630 910 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 910 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 910 G C 0.931 175.847 174.900 0.027 0.000 1.434 910 G CA -0.541 44.575 45.100 0.027 0.000 1.057 910 G HN 2.040 nan 8.290 nan 0.000 0.570 911 G N -1.916 106.900 108.800 0.026 0.000 2.225 911 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 911 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 911 G C 1.478 176.375 174.900 -0.006 0.000 1.024 911 G CA 1.214 46.326 45.100 0.020 0.000 0.784 911 G HN 2.457 nan 8.290 nan 0.000 0.507 912 G N -1.400 107.387 108.800 -0.021 0.000 2.162 912 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 912 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 912 G C 1.510 176.358 174.900 -0.086 0.000 0.976 912 G CA 1.693 46.761 45.100 -0.053 0.000 0.655 912 G HN 1.957 nan 8.290 nan 0.000 0.533 913 S N 0.118 115.786 115.700 -0.053 0.000 2.370 913 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 913 S C 2.800 177.315 174.600 -0.142 0.000 1.033 913 S CA 2.846 61.001 58.200 -0.076 0.000 1.011 913 S CB -0.592 62.660 63.200 0.086 0.000 0.852 913 S HN 1.399 nan 8.310 nan 0.000 0.457 914 T N 0.025 114.546 114.554 -0.054 0.000 2.614 914 T HA -0.096 4.254 4.350 -0.001 0.000 0.263 914 T C 1.568 176.215 174.700 -0.089 0.000 1.055 914 T CA 1.624 63.700 62.100 -0.041 0.000 1.162 914 T CB -1.065 67.793 68.868 -0.017 0.000 0.863 914 T HN 0.417 nan 8.240 nan 0.000 0.414 915 E N 0.936 121.081 120.200 -0.092 0.000 2.187 915 E HA -0.077 4.273 4.350 -0.001 0.000 0.199 915 E C 2.240 178.759 176.600 -0.135 0.000 1.004 915 E CA 0.970 57.309 56.400 -0.102 0.000 0.813 915 E CB -0.705 28.935 29.700 -0.099 0.000 0.736 915 E HN 0.436 nan 8.360 nan 0.000 0.468 916 V N 0.435 120.215 119.914 -0.223 0.000 2.453 916 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 916 V C 2.262 178.169 176.094 -0.311 0.000 1.048 916 V CA 1.760 63.877 62.300 -0.305 0.000 1.049 916 V CB -0.366 31.175 31.823 -0.471 0.000 0.672 916 V HN 0.217 nan 8.190 nan 0.000 0.457 917 E N 0.783 120.771 120.200 -0.354 0.000 2.077 917 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 917 E C 2.017 178.628 176.600 0.019 0.000 0.989 917 E CA 1.571 57.971 56.400 0.000 0.000 0.800 917 E CB -0.419 29.365 29.700 0.141 0.000 0.746 917 E HN 0.553 nan 8.360 nan 0.000 0.452 918 L N -0.010 121.203 121.223 -0.017 0.000 2.046 918 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 918 L C 2.665 179.554 176.870 0.031 0.000 1.077 918 L CA 1.355 56.204 54.840 0.015 0.000 0.747 918 L CB -0.669 41.394 42.059 0.006 0.000 0.896 918 L HN 0.195 nan 8.230 nan 0.000 0.432 919 S N -0.314 115.382 115.700 -0.006 0.000 2.356 919 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 919 S C 2.126 176.749 174.600 0.038 0.000 1.032 919 S CA 1.258 59.462 58.200 0.008 0.000 1.005 919 S CB -0.016 63.167 63.200 -0.027 0.000 0.867 919 S HN 0.212 nan 8.310 nan 0.000 0.449 920 M N 0.888 120.510 119.600 0.037 0.000 2.117 920 M HA 0.033 4.513 4.480 -0.001 0.000 0.262 920 M C 1.997 178.343 176.300 0.076 0.000 1.065 920 M CA 1.466 56.804 55.300 0.064 0.000 1.114 920 M CB -0.996 31.662 32.600 0.096 0.000 1.361 920 M HN 0.239 nan 8.290 nan 0.000 0.408 921 K N -0.008 120.439 120.400 0.079 0.000 2.211 921 K HA 0.194 4.513 4.320 -0.001 0.000 0.201 921 K C 2.066 178.737 176.600 0.117 0.000 1.052 921 K CA 0.568 56.906 56.287 0.085 0.000 0.973 921 K CB -0.225 32.313 32.500 0.064 0.000 0.766 921 K HN 0.351 nan 8.250 nan 0.000 0.466 922 L N 0.349 121.644 121.223 0.120 0.000 2.240 922 L HA -0.011 4.329 4.340 -0.001 0.000 0.211 922 L C 2.300 179.295 176.870 0.208 0.000 1.106 922 L CA 0.751 55.704 54.840 0.189 0.000 0.793 922 L CB -0.195 41.979 42.059 0.192 0.000 0.927 922 L HN 0.076 nan 8.230 nan 0.000 0.446 923 R N 0.035 120.619 120.500 0.140 0.000 2.148 923 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 923 R C 1.976 178.333 176.300 0.095 0.000 1.088 923 R CA 0.978 57.142 56.100 0.107 0.000 0.985 923 R CB -0.051 30.294 30.300 0.075 0.000 0.880 923 R HN 0.446 nan 8.270 nan 0.000 0.451 924 E N -0.501 119.764 120.200 0.109 0.000 2.112 924 E HA -0.171 4.178 4.350 -0.001 0.000 0.190 924 E C 1.435 178.105 176.600 0.116 0.000 0.979 924 E CA 0.672 57.128 56.400 0.094 0.000 0.814 924 E CB -0.051 29.703 29.700 0.090 0.000 0.762 924 E HN 0.280 nan 8.360 nan 0.000 0.460 925 Y N 1.594 121.910 120.300 0.027 0.000 2.224 925 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 925 Y C 2.179 178.090 175.900 0.019 0.000 1.146 925 Y CA 1.256 59.368 58.100 0.020 0.000 1.182 925 Y CB -0.382 38.089 38.460 0.018 0.000 0.983 925 Y HN -0.013 nan 8.280 nan 0.000 0.524 926 A N 0.240 123.064 122.820 0.007 0.000 1.940 926 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 926 A C 2.119 179.649 177.584 -0.090 0.000 1.176 926 A CA 1.859 53.863 52.037 -0.055 0.000 0.631 926 A CB -0.532 18.497 19.000 0.047 0.000 0.814 926 A HN 0.523 nan 8.150 nan 0.000 0.446 927 E N -0.497 119.673 120.200 -0.051 0.000 2.072 927 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 927 E C 2.186 178.740 176.600 -0.077 0.000 0.985 927 E CA 1.171 57.545 56.400 -0.043 0.000 0.801 927 E CB -0.695 28.999 29.700 -0.010 0.000 0.750 927 E HN 0.590 nan 8.360 nan 0.000 0.452 928 G N 1.302 110.032 108.800 -0.117 0.000 2.422 928 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 928 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 928 G C 1.584 176.375 174.900 -0.182 0.000 1.140 928 G CA 0.250 45.269 45.100 -0.135 0.000 0.775 928 G HN 0.110 nan 8.290 nan 0.000 0.545 929 I N 0.210 120.618 120.570 -0.271 0.000 2.233 929 I HA 0.025 4.194 4.170 -0.001 0.000 0.243 929 I C 1.677 177.717 176.117 -0.129 0.000 1.093 929 I CA 1.029 62.183 61.300 -0.243 0.000 1.380 929 I CB -1.119 36.695 38.000 -0.311 0.000 1.067 929 I HN 0.301 nan 8.210 nan 0.000 0.413 930 S N -1.116 114.523 115.700 -0.101 0.000 3.513 930 S HA -0.106 4.363 4.470 -0.001 0.000 0.636 930 S C 0.749 175.322 174.600 -0.046 0.000 2.452 930 S CA 1.346 59.511 58.200 -0.059 0.000 2.644 930 S CB -1.365 61.805 63.200 -0.050 0.000 0.331 930 S HN 1.422 nan 8.310 nan 0.000 1.787 931 G N 1.122 109.904 108.800 -0.031 0.000 2.578 931 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 931 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 931 G C 0.342 175.233 174.900 -0.014 0.000 1.271 931 G CA 1.639 46.726 45.100 -0.022 0.000 0.941 931 G HN 1.880 nan 8.290 nan 0.000 0.564 932 R N 0.400 120.895 120.500 -0.009 0.000 2.236 932 R HA 0.227 4.567 4.340 -0.001 0.000 0.208 932 R C 2.004 178.303 176.300 -0.000 0.000 1.036 932 R CA 1.649 57.749 56.100 0.000 0.000 1.001 932 R CB -0.203 30.101 30.300 0.006 0.000 0.896 932 R HN 0.665 nan 8.270 nan 0.000 0.464 933 E N 1.567 121.759 120.200 -0.013 0.000 2.204 933 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 933 E C 1.811 178.406 176.600 -0.008 0.000 0.989 933 E CA 1.434 57.824 56.400 -0.017 0.000 0.824 933 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 933 E HN 0.596 nan 8.360 nan 0.000 0.477 934 Q N 0.685 120.475 119.800 -0.017 0.000 2.230 934 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 934 Q C 1.985 178.008 176.000 0.038 0.000 0.963 934 Q CA 0.952 56.749 55.803 -0.009 0.000 0.866 934 Q CB -0.307 28.417 28.738 -0.024 0.000 0.931 934 Q HN 0.207 nan 8.270 nan 0.000 0.452 935 L N 0.345 121.593 121.223 0.041 0.000 2.109 935 L HA 0.178 4.518 4.340 -0.001 0.000 0.207 935 L C 2.245 179.183 176.870 0.114 0.000 1.086 935 L CA 1.795 56.674 54.840 0.065 0.000 0.760 935 L CB -0.986 41.099 42.059 0.045 0.000 0.910 935 L HN 0.302 nan 8.230 nan 0.000 0.437 936 A N -1.151 121.733 122.820 0.107 0.000 1.898 936 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 936 A C 2.232 180.026 177.584 0.349 0.000 1.181 936 A CA 1.943 54.086 52.037 0.177 0.000 0.620 936 A CB -1.004 18.012 19.000 0.027 0.000 0.819 936 A HN 0.265 nan 8.150 nan 0.000 0.442 937 V N -0.176 119.874 119.914 0.228 0.000 2.358 937 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 937 V C 2.619 178.872 176.094 0.265 0.000 1.047 937 V CA 2.152 64.604 62.300 0.254 0.000 1.035 937 V CB -0.775 31.157 31.823 0.181 0.000 0.658 937 V HN 0.620 nan 8.190 nan 0.000 0.452 938 R N 0.082 120.692 120.500 0.184 0.000 2.096 938 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 938 R C 2.258 178.644 176.300 0.144 0.000 1.127 938 R CA 1.545 57.730 56.100 0.142 0.000 0.968 938 R CB -0.345 30.010 30.300 0.093 0.000 0.861 938 R HN 0.503 nan 8.270 nan 0.000 0.440 939 A N 0.034 122.964 122.820 0.183 0.000 1.929 939 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 939 A C 1.896 179.550 177.584 0.117 0.000 1.176 939 A CA 0.824 52.959 52.037 0.163 0.000 0.628 939 A CB -0.635 18.503 19.000 0.231 0.000 0.816 939 A HN 0.479 nan 8.150 nan 0.000 0.444 940 F N 1.151 121.115 119.950 0.023 0.000 2.095 940 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 940 F C 2.528 178.259 175.800 -0.116 0.000 1.104 940 F CA 1.492 59.375 58.000 -0.195 0.000 1.232 940 F CB -0.363 38.571 39.000 -0.109 0.000 0.987 940 F HN 0.249 nan 8.300 nan 0.000 0.475 941 A N -0.436 122.468 122.820 0.142 0.000 1.902 941 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 941 A C 1.982 179.533 177.584 -0.056 0.000 1.181 941 A CA 1.952 54.016 52.037 0.046 0.000 0.623 941 A CB -1.175 17.896 19.000 0.118 0.000 0.818 941 A HN 0.498 nan 8.150 nan 0.000 0.443 942 D N 0.020 120.401 120.400 -0.032 0.000 2.123 942 D HA -0.072 4.567 4.640 -0.001 0.000 0.196 942 D C 2.044 178.279 176.300 -0.107 0.000 0.992 942 D CA 1.619 55.590 54.000 -0.049 0.000 0.833 942 D CB -0.248 40.545 40.800 -0.012 0.000 0.954 942 D HN 0.333 nan 8.370 nan 0.000 0.455 943 A N -0.116 122.596 122.820 -0.179 0.000 1.898 943 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 943 A C 2.146 179.572 177.584 -0.263 0.000 1.181 943 A CA 0.900 52.795 52.037 -0.237 0.000 0.620 943 A CB -0.670 18.121 19.000 -0.349 0.000 0.819 943 A HN 0.300 nan 8.150 nan 0.000 0.442 944 L N 0.218 121.243 121.223 -0.330 0.000 2.191 944 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 944 L C 2.140 178.910 176.870 -0.166 0.000 1.103 944 L CA 1.723 56.398 54.840 -0.275 0.000 0.769 944 L CB -0.800 41.086 42.059 -0.290 0.000 0.908 944 L HN 0.482 nan 8.230 nan 0.000 0.438 945 E N -1.375 118.745 120.200 -0.135 0.000 2.333 945 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 945 E C 2.262 178.808 176.600 -0.090 0.000 1.007 945 E CA 0.724 57.066 56.400 -0.098 0.000 0.845 945 E CB -0.157 29.499 29.700 -0.074 0.000 0.766 945 E HN 0.291 nan 8.360 nan 0.000 0.507 946 V N 1.131 120.985 119.914 -0.101 0.000 2.720 946 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 946 V C 1.717 177.765 176.094 -0.078 0.000 1.082 946 V CA 1.088 63.337 62.300 -0.085 0.000 1.101 946 V CB -0.205 31.563 31.823 -0.092 0.000 0.693 946 V HN 0.258 nan 8.190 nan 0.000 0.479 947 I N 0.604 121.123 120.570 -0.086 0.000 2.162 947 I HA -0.035 4.135 4.170 -0.001 0.000 0.238 947 I C 0.221 176.299 176.117 -0.065 0.000 1.076 947 I CA 1.469 62.724 61.300 -0.074 0.000 1.353 947 I CB -2.839 35.114 38.000 -0.078 0.000 1.063 947 I HN 0.311 nan 8.210 nan 0.000 0.408 948 P HA -0.171 nan 4.420 nan 0.000 0.216 948 P C 1.797 179.066 177.300 -0.053 0.000 1.154 948 P CA 1.754 64.818 63.100 -0.060 0.000 0.865 948 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 949 R N -1.467 119.001 120.500 -0.054 0.000 2.075 949 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 949 R C 2.034 178.305 176.300 -0.048 0.000 1.126 949 R CA 1.718 57.789 56.100 -0.048 0.000 0.963 949 R CB -1.005 29.267 30.300 -0.048 0.000 0.858 949 R HN 0.199 nan 8.270 nan 0.000 0.435 950 T N 1.084 115.606 114.554 -0.052 0.000 3.051 950 T HA 0.131 4.481 4.350 -0.001 0.000 0.255 950 T C 1.808 176.474 174.700 -0.055 0.000 1.085 950 T CA 0.140 62.209 62.100 -0.052 0.000 1.109 950 T CB 0.142 68.978 68.868 -0.052 0.000 0.921 950 T HN 0.063 nan 8.240 nan 0.000 0.488 951 L N 0.954 122.142 121.223 -0.057 0.000 2.043 951 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 951 L C 2.824 179.650 176.870 -0.074 0.000 1.075 951 L CA 1.642 56.444 54.840 -0.064 0.000 0.752 951 L CB -0.444 41.581 42.059 -0.056 0.000 0.891 951 L HN 0.257 nan 8.230 nan 0.000 0.432 952 A N -1.252 121.530 122.820 -0.063 0.000 2.030 952 A HA -0.120 4.200 4.320 -0.001 0.000 0.215 952 A C 2.186 179.735 177.584 -0.058 0.000 1.164 952 A CA 0.705 52.704 52.037 -0.063 0.000 0.697 952 A CB -0.261 18.710 19.000 -0.049 0.000 0.827 952 A HN 0.417 nan 8.150 nan 0.000 0.457 953 E N 0.626 120.796 120.200 -0.051 0.000 2.070 953 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 953 E C 1.372 177.942 176.600 -0.050 0.000 1.004 953 E CA 1.624 57.997 56.400 -0.046 0.000 0.805 953 E CB -0.130 29.545 29.700 -0.042 0.000 0.744 953 E HN 0.540 nan 8.360 nan 0.000 0.451 954 N N -0.040 118.625 118.700 -0.058 0.000 2.396 954 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 954 N C 1.360 176.826 175.510 -0.074 0.000 1.028 954 N CA 1.019 54.032 53.050 -0.061 0.000 0.893 954 N CB -0.141 38.307 38.487 -0.064 0.000 0.967 954 N HN 0.227 nan 8.380 nan 0.000 0.440 955 A N 0.064 122.831 122.820 -0.088 0.000 2.119 955 A HA 0.299 4.619 4.320 -0.001 0.000 0.216 955 A C 1.467 179.009 177.584 -0.069 0.000 1.152 955 A CA 1.054 53.030 52.037 -0.101 0.000 0.708 955 A CB -0.383 18.541 19.000 -0.127 0.000 0.805 955 A HN 0.306 nan 8.150 nan 0.000 0.460 956 G N -1.333 107.434 108.800 -0.054 0.000 2.142 956 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 956 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 956 G C -0.050 174.829 174.900 -0.034 0.000 1.015 956 G CA 0.279 45.355 45.100 -0.039 0.000 0.716 956 G HN 0.438 nan 8.290 nan 0.000 0.508 957 L N -0.146 121.054 121.223 -0.038 0.000 2.387 957 L HA 0.547 4.887 4.340 -0.001 0.000 0.266 957 L C 0.357 177.211 176.870 -0.026 0.000 1.059 957 L CA -1.095 53.726 54.840 -0.031 0.000 0.801 957 L CB 0.912 42.951 42.059 -0.035 0.000 1.223 957 L HN 0.098 nan 8.230 nan 0.000 0.456 958 D N 0.724 121.112 120.400 -0.020 0.000 2.338 958 D HA 0.199 4.838 4.640 -0.001 0.000 0.255 958 D C 0.740 177.029 176.300 -0.019 0.000 1.237 958 D CA -0.007 53.983 54.000 -0.017 0.000 0.883 958 D CB 1.849 42.642 40.800 -0.012 0.000 1.087 958 D HN 0.588 nan 8.370 nan 0.000 0.485 959 A N 5.216 128.023 122.820 -0.021 0.000 1.978 959 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 959 A C 2.064 179.637 177.584 -0.018 0.000 1.170 959 A CA 0.890 52.914 52.037 -0.023 0.000 0.636 959 A CB -0.328 18.658 19.000 -0.025 0.000 0.810 959 A HN 0.700 nan 8.150 nan 0.000 0.448 960 I N -0.535 120.027 120.570 -0.014 0.000 2.235 960 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 960 I C 2.434 178.546 176.117 -0.008 0.000 1.085 960 I CA 1.680 62.973 61.300 -0.011 0.000 1.378 960 I CB -1.463 36.532 38.000 -0.008 0.000 1.076 960 I HN 0.572 nan 8.210 nan 0.000 0.415 961 E N 1.557 121.753 120.200 -0.007 0.000 2.051 961 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 961 E C 2.336 178.934 176.600 -0.003 0.000 0.991 961 E CA 1.636 58.034 56.400 -0.004 0.000 0.799 961 E CB -0.094 29.604 29.700 -0.004 0.000 0.748 961 E HN 0.590 nan 8.360 nan 0.000 0.449 962 I N -0.889 119.677 120.570 -0.007 0.000 2.439 962 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 962 I C 2.388 178.501 176.117 -0.007 0.000 1.139 962 I CA 0.593 61.889 61.300 -0.006 0.000 1.438 962 I CB -0.272 37.721 38.000 -0.013 0.000 1.085 962 I HN 0.121 nan 8.210 nan 0.000 0.427 963 L N 1.232 122.448 121.223 -0.011 0.000 2.046 963 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 963 L C 2.342 179.210 176.870 -0.004 0.000 1.077 963 L CA 1.772 56.605 54.840 -0.012 0.000 0.747 963 L CB -0.478 41.572 42.059 -0.015 0.000 0.896 963 L HN 0.119 nan 8.230 nan 0.000 0.432 964 V N -0.522 119.393 119.914 0.000 0.000 2.302 964 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 964 V C 2.521 178.622 176.094 0.012 0.000 1.036 964 V CA 1.886 64.189 62.300 0.006 0.000 1.020 964 V CB -0.569 31.257 31.823 0.005 0.000 0.657 964 V HN 0.401 nan 8.190 nan 0.000 0.453 965 K N -0.256 120.151 120.400 0.011 0.000 2.103 965 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 965 K C 2.046 178.661 176.600 0.025 0.000 1.052 965 K CA 1.103 57.400 56.287 0.016 0.000 0.945 965 K CB -0.224 32.284 32.500 0.012 0.000 0.722 965 K HN 0.300 nan 8.250 nan 0.000 0.443 966 V N 1.309 121.237 119.914 0.022 0.000 2.379 966 V HA -0.181 3.938 4.120 -0.001 0.000 0.245 966 V C 2.382 178.509 176.094 0.055 0.000 1.044 966 V CA 1.435 63.755 62.300 0.034 0.000 1.036 966 V CB -0.446 31.386 31.823 0.015 0.000 0.664 966 V HN 0.297 nan 8.190 nan 0.000 0.453 967 R N 0.542 121.063 120.500 0.034 0.000 2.083 967 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 967 R C 2.265 178.612 176.300 0.077 0.000 1.137 967 R CA 1.972 58.099 56.100 0.046 0.000 0.951 967 R CB -0.472 29.841 30.300 0.021 0.000 0.851 967 R HN 0.474 nan 8.270 nan 0.000 0.434 968 A N 0.537 123.388 122.820 0.052 0.000 1.898 968 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 968 A C 2.361 179.974 177.584 0.048 0.000 1.181 968 A CA 1.575 53.638 52.037 0.044 0.000 0.620 968 A CB -0.743 18.274 19.000 0.028 0.000 0.819 968 A HN 0.562 nan 8.150 nan 0.000 0.442 969 A N -0.937 121.915 122.820 0.053 0.000 1.902 969 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 969 A C 2.025 179.643 177.584 0.055 0.000 1.181 969 A CA 2.116 54.181 52.037 0.047 0.000 0.623 969 A CB -0.852 18.177 19.000 0.048 0.000 0.818 969 A HN 0.780 nan 8.150 nan 0.000 0.443 970 H N -0.268 118.806 119.070 0.006 0.000 2.299 970 H HA 0.091 4.646 4.556 -0.000 0.000 0.302 970 H C 2.211 177.543 175.328 0.007 0.000 1.078 970 H CA 1.987 58.038 56.048 0.006 0.000 1.323 970 H CB -0.263 29.502 29.762 0.005 0.000 1.381 970 H HN 0.371 nan 8.280 nan 0.000 0.498 971 A N -0.595 122.278 122.820 0.088 0.000 1.940 971 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 971 A C 2.578 180.145 177.584 -0.028 0.000 1.176 971 A CA 2.079 54.139 52.037 0.038 0.000 0.631 971 A CB -1.061 17.985 19.000 0.077 0.000 0.814 971 A HN 0.521 nan 8.150 nan 0.000 0.446 972 S N -0.617 115.071 115.700 -0.021 0.000 2.371 972 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 972 S C 1.834 176.406 174.600 -0.046 0.000 1.040 972 S CA 1.036 59.222 58.200 -0.023 0.000 0.958 972 S CB -0.379 62.817 63.200 -0.006 0.000 0.860 972 S HN 0.602 nan 8.310 nan 0.000 0.487 973 N N 1.056 119.723 118.700 -0.055 0.000 2.409 973 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 973 N C 1.053 176.504 175.510 -0.098 0.000 1.032 973 N CA 0.975 53.990 53.050 -0.058 0.000 0.898 973 N CB 0.160 38.626 38.487 -0.034 0.000 0.971 973 N HN 0.609 nan 8.380 nan 0.000 0.441 974 G N 0.603 109.290 108.800 -0.189 0.000 2.342 974 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 974 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 974 G C 0.150 174.799 174.900 -0.419 0.000 1.243 974 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 974 G HN 0.271 nan 8.290 nan 0.000 0.500 975 N N 0.140 118.701 118.700 -0.232 0.000 2.436 975 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 975 N C 1.621 177.148 175.510 0.028 0.000 1.026 975 N CA 1.427 54.435 53.050 -0.070 0.000 0.880 975 N CB -0.139 38.364 38.487 0.027 0.000 1.061 975 N HN 0.837 nan 8.380 nan 0.000 0.434 976 K N -0.223 120.175 120.400 -0.003 0.000 2.387 976 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 976 K C -0.153 176.450 176.600 0.005 0.000 1.022 976 K CA -0.159 56.135 56.287 0.012 0.000 1.128 976 K CB 0.039 32.543 32.500 0.005 0.000 0.853 976 K HN 0.034 nan 8.250 nan 0.000 0.523 977 C N 1.214 120.509 119.300 -0.008 0.000 2.955 977 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 977 C C 0.382 175.374 174.990 0.003 0.000 1.842 977 C CA -0.489 58.524 59.018 -0.008 0.000 1.539 977 C CB -0.683 27.041 27.740 -0.027 0.000 2.869 977 C HN 0.654 nan 8.230 nan 0.000 0.503 978 A N 0.043 122.886 122.820 0.039 0.000 5.810 978 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 978 A C 0.149 177.780 177.584 0.079 0.000 0.903 978 A CA 0.405 52.483 52.037 0.070 0.000 1.207 978 A CB -0.379 18.682 19.000 0.101 0.000 2.339 978 A HN 1.963 nan 8.150 nan 0.000 1.102 979 G N -1.855 107.007 108.800 0.103 0.000 2.787 979 G HA2 0.367 4.326 3.960 -0.001 0.000 0.685 979 G HA3 0.367 4.326 3.960 -0.001 0.000 0.685 979 G C -0.755 174.173 174.900 0.047 0.000 1.437 979 G CA -0.011 45.129 45.100 0.066 0.000 0.872 979 G HN 2.036 nan 8.290 nan 0.000 0.566 980 L N 0.697 121.938 121.223 0.030 0.000 2.289 980 L HA 0.743 5.083 4.340 -0.001 0.000 0.285 980 L C 0.199 177.091 176.870 0.037 0.000 1.049 980 L CA -0.996 53.858 54.840 0.024 0.000 0.804 980 L CB 1.538 43.599 42.059 0.003 0.000 1.195 980 L HN 0.748 nan 8.230 nan 0.000 0.428 981 N N 3.001 121.732 118.700 0.051 0.000 2.501 981 N HA 0.222 4.962 4.740 -0.001 0.000 0.245 981 N C 0.806 176.354 175.510 0.064 0.000 0.974 981 N CA -0.272 52.834 53.050 0.094 0.000 0.941 981 N CB 1.200 39.757 38.487 0.117 0.000 1.122 981 N HN 0.510 nan 8.380 nan 0.000 0.507 982 V N 1.623 121.538 119.914 0.001 0.000 2.913 982 V HA -0.012 4.108 4.120 -0.001 0.000 0.260 982 V C 1.404 177.405 176.094 -0.154 0.000 1.098 982 V CA 1.234 63.464 62.300 -0.116 0.000 1.121 982 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 982 V HN 0.473 nan 8.190 nan 0.000 0.487 983 F N 2.525 122.474 119.950 -0.003 0.000 2.259 983 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 983 F C 2.676 178.475 175.800 -0.001 0.000 1.088 983 F CA 1.852 59.851 58.000 -0.002 0.000 1.358 983 F CB -0.369 38.630 39.000 -0.001 0.000 1.040 983 F HN 0.380 nan 8.300 nan 0.000 0.505 984 T N -4.040 110.616 114.554 0.171 0.000 3.022 984 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 984 T C 1.547 176.277 174.700 0.049 0.000 1.060 984 T CA 0.423 62.578 62.100 0.093 0.000 1.013 984 T CB 0.267 69.181 68.868 0.077 0.000 0.982 984 T HN 0.356 nan 8.240 nan 0.000 0.508 985 G N 1.086 109.906 108.800 0.033 0.000 2.225 985 G HA2 0.231 4.190 3.960 -0.001 0.000 0.264 985 G HA3 0.231 4.190 3.960 -0.001 0.000 0.264 985 G C 0.099 175.005 174.900 0.010 0.000 1.060 985 G CA -0.182 44.922 45.100 0.006 0.000 0.833 985 G HN 1.435 nan 8.290 nan 0.000 0.498 986 A N -1.841 120.992 122.820 0.021 0.000 2.608 986 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 986 A C 0.031 177.631 177.584 0.027 0.000 1.066 986 A CA 0.149 52.198 52.037 0.020 0.000 0.676 986 A CB 1.349 20.362 19.000 0.022 0.000 1.277 986 A HN 1.780 nan 8.150 nan 0.000 0.413 987 V N 1.618 121.546 119.914 0.024 0.000 2.673 987 V HA 0.395 4.514 4.120 -0.001 0.000 0.303 987 V C 0.011 176.124 176.094 0.032 0.000 1.046 987 V CA 0.964 63.282 62.300 0.029 0.000 1.126 987 V CB 0.480 32.320 31.823 0.029 0.000 0.934 987 V HN 0.917 nan 8.190 nan 0.000 0.487 988 E N 3.805 124.028 120.200 0.038 0.000 2.359 988 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 988 E C -1.405 175.215 176.600 0.034 0.000 0.877 988 E CA -0.679 55.742 56.400 0.035 0.000 0.887 988 E CB 0.725 30.450 29.700 0.041 0.000 1.890 988 E HN 0.704 nan 8.360 nan 0.000 0.419 989 D N 1.262 121.679 120.400 0.028 0.000 2.472 989 D HA 0.180 4.820 4.640 -0.001 0.000 0.234 989 D C 0.840 177.156 176.300 0.027 0.000 1.088 989 D CA -0.279 53.736 54.000 0.025 0.000 0.882 989 D CB 0.646 41.455 40.800 0.015 0.000 1.037 989 D HN 0.188 nan 8.370 nan 0.000 0.520 990 M N 1.659 121.280 119.600 0.036 0.000 2.159 990 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 990 M C 2.321 178.636 176.300 0.025 0.000 1.063 990 M CA 0.783 56.105 55.300 0.037 0.000 1.110 990 M CB -1.143 31.484 32.600 0.045 0.000 1.374 990 M HN 0.530 nan 8.290 nan 0.000 0.411 991 C N 0.642 119.956 119.300 0.022 0.000 2.432 991 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 991 C C 2.706 177.700 174.990 0.007 0.000 1.249 991 C CA 1.410 60.437 59.018 0.014 0.000 1.725 991 C CB -0.922 26.826 27.740 0.014 0.000 2.028 991 C HN 0.636 nan 8.230 nan 0.000 0.477 992 E N 0.029 120.233 120.200 0.007 0.000 2.110 992 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 992 E C 1.378 177.976 176.600 -0.003 0.000 0.988 992 E CA 1.167 57.567 56.400 0.001 0.000 0.804 992 E CB -0.183 29.519 29.700 0.002 0.000 0.745 992 E HN 0.655 nan 8.360 nan 0.000 0.458 993 N N -0.372 118.327 118.700 -0.001 0.000 2.398 993 N HA 0.004 4.743 4.740 -0.001 0.000 0.188 993 N C 0.759 176.257 175.510 -0.019 0.000 1.122 993 N CA 0.906 53.949 53.050 -0.012 0.000 0.866 993 N CB 0.978 39.462 38.487 -0.005 0.000 0.970 993 N HN 0.332 nan 8.380 nan 0.000 0.462 994 G N 0.469 109.264 108.800 -0.009 0.000 2.153 994 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 994 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 994 G C 0.048 174.946 174.900 -0.002 0.000 0.994 994 G CA 0.096 45.191 45.100 -0.009 0.000 0.698 994 G HN 0.205 nan 8.290 nan 0.000 0.521 995 V N 1.491 121.411 119.914 0.010 0.000 2.222 995 V HA 0.495 4.615 4.120 -0.001 0.000 0.253 995 V C 0.766 176.878 176.094 0.029 0.000 1.210 995 V CA 0.161 62.478 62.300 0.028 0.000 1.079 995 V CB 0.412 32.266 31.823 0.052 0.000 1.265 995 V HN 1.065 nan 8.190 nan 0.000 0.494 996 V N 1.477 121.404 119.914 0.021 0.000 3.007 996 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 996 V C -0.716 175.388 176.094 0.017 0.000 1.120 996 V CA -0.759 61.553 62.300 0.019 0.000 0.980 996 V CB 2.560 34.392 31.823 0.015 0.000 1.033 996 V HN 0.636 nan 8.190 nan 0.000 0.429 997 E N 1.910 122.119 120.200 0.016 0.000 2.369 997 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 997 E C -3.241 173.366 176.600 0.010 0.000 0.909 997 E CA -2.406 54.002 56.400 0.013 0.000 0.775 997 E CB 2.154 31.861 29.700 0.012 0.000 1.270 997 E HN 0.467 nan 8.360 nan 0.000 0.445 998 P HA -0.007 nan 4.420 nan 0.000 0.268 998 P C 0.865 178.169 177.300 0.006 0.000 1.205 998 P CA -0.349 62.755 63.100 0.007 0.000 0.771 998 P CB 0.478 32.181 31.700 0.006 0.000 0.858 999 L N 4.531 125.758 121.223 0.006 0.000 2.042 999 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 999 L C 2.200 179.073 176.870 0.005 0.000 1.076 999 L CA 1.895 56.738 54.840 0.006 0.000 0.749 999 L CB -0.698 41.364 42.059 0.006 0.000 0.893 999 L HN 0.272 nan 8.230 nan 0.000 0.432 1000 R N -1.197 119.305 120.500 0.004 0.000 2.117 1000 R HA -0.164 4.175 4.340 -0.001 0.000 0.243 1000 R C 2.117 178.419 176.300 0.003 0.000 1.143 1000 R CA 1.616 57.718 56.100 0.004 0.000 0.968 1000 R CB -0.725 29.577 30.300 0.003 0.000 0.863 1000 R HN 0.346 nan 8.270 nan 0.000 0.444 1001 V N 1.324 121.240 119.914 0.003 0.000 2.261 1001 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 1001 V C 2.225 178.319 176.094 0.000 0.000 1.047 1001 V CA 1.686 63.987 62.300 0.002 0.000 1.015 1001 V CB -0.299 31.526 31.823 0.002 0.000 0.642 1001 V HN 0.217 nan 8.190 nan 0.000 0.446 1002 K N -0.345 120.055 120.400 0.000 0.000 2.167 1002 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 1002 K C 2.175 178.775 176.600 0.001 0.000 1.052 1002 K CA 1.262 57.547 56.287 -0.003 0.000 0.956 1002 K CB -0.560 31.938 32.500 -0.003 0.000 0.735 1002 K HN 0.482 nan 8.250 nan 0.000 0.451 1003 T N 1.257 115.813 114.554 0.004 0.000 2.812 1003 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 1003 T C 1.900 176.606 174.700 0.010 0.000 1.042 1003 T CA 1.213 63.318 62.100 0.007 0.000 1.140 1003 T CB -0.005 68.866 68.868 0.005 0.000 0.870 1003 T HN 0.129 nan 8.240 nan 0.000 0.445 1004 Q N 1.254 121.058 119.800 0.007 0.000 2.123 1004 Q HA 0.158 4.497 4.340 -0.001 0.000 0.199 1004 Q C 2.269 178.275 176.000 0.009 0.000 0.966 1004 Q CA 1.505 57.313 55.803 0.008 0.000 0.845 1004 Q CB -0.620 28.122 28.738 0.006 0.000 0.907 1004 Q HN 0.476 nan 8.270 nan 0.000 0.439 1005 A N 0.506 123.328 122.820 0.003 0.000 1.858 1005 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 1005 A C 1.934 179.518 177.584 -0.000 0.000 1.190 1005 A CA 1.614 53.649 52.037 -0.003 0.000 0.617 1005 A CB -0.713 18.280 19.000 -0.011 0.000 0.827 1005 A HN 0.443 nan 8.150 nan 0.000 0.443 1006 I N -0.118 120.457 120.570 0.008 0.000 2.252 1006 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 1006 I C 2.650 178.808 176.117 0.068 0.000 1.102 1006 I CA 1.774 63.092 61.300 0.030 0.000 1.385 1006 I CB -1.483 36.547 38.000 0.050 0.000 1.064 1006 I HN 0.595 nan 8.210 nan 0.000 0.414 1007 Q N 0.880 120.711 119.800 0.051 0.000 2.002 1007 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 1007 Q C 2.385 178.414 176.000 0.048 0.000 0.988 1007 Q CA 2.726 58.559 55.803 0.049 0.000 0.843 1007 Q CB 0.091 28.845 28.738 0.027 0.000 0.908 1007 Q HN 0.360 nan 8.270 nan 0.000 0.420 1008 S N 0.285 116.004 115.700 0.032 0.000 2.368 1008 S HA -0.101 4.369 4.470 -0.001 0.000 0.224 1008 S C 1.937 176.556 174.600 0.032 0.000 1.029 1008 S CA 0.882 59.099 58.200 0.028 0.000 0.988 1008 S CB -0.338 62.872 63.200 0.017 0.000 0.838 1008 S HN 0.571 nan 8.310 nan 0.000 0.462 1009 A N 1.672 124.507 122.820 0.025 0.000 1.877 1009 A HA 0.078 4.398 4.320 -0.001 0.000 0.216 1009 A C 2.359 179.967 177.584 0.041 0.000 1.186 1009 A CA 1.755 53.800 52.037 0.013 0.000 0.620 1009 A CB -1.126 17.863 19.000 -0.018 0.000 0.822 1009 A HN 0.515 nan 8.150 nan 0.000 0.443 1010 A N -0.587 122.286 122.820 0.089 0.000 1.930 1010 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 1010 A C 1.976 179.652 177.584 0.153 0.000 1.175 1010 A CA 2.110 54.257 52.037 0.183 0.000 0.627 1010 A CB -0.419 18.774 19.000 0.323 0.000 0.815 1010 A HN 0.543 nan 8.150 nan 0.000 0.443 1011 E N -0.152 120.108 120.200 0.101 0.000 2.072 1011 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 1011 E C 2.221 178.863 176.600 0.070 0.000 0.982 1011 E CA 1.448 57.895 56.400 0.079 0.000 0.803 1011 E CB -0.341 29.391 29.700 0.053 0.000 0.755 1011 E HN 0.461 nan 8.360 nan 0.000 0.453 1012 S N -1.278 114.456 115.700 0.057 0.000 2.383 1012 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 1012 S C 1.885 176.518 174.600 0.054 0.000 1.026 1012 S CA 1.658 59.884 58.200 0.044 0.000 0.981 1012 S CB -0.543 62.674 63.200 0.029 0.000 0.818 1012 S HN 0.407 nan 8.310 nan 0.000 0.472 1013 T N 1.731 116.328 114.554 0.071 0.000 2.652 1013 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 1013 T C 1.761 176.541 174.700 0.133 0.000 1.039 1013 T CA 1.649 63.806 62.100 0.094 0.000 1.153 1013 T CB -0.481 68.451 68.868 0.107 0.000 0.863 1013 T HN 0.587 nan 8.240 nan 0.000 0.428 1014 E N 0.582 120.882 120.200 0.166 0.000 2.085 1014 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 1014 E C 2.253 178.899 176.600 0.077 0.000 0.994 1014 E CA 1.066 57.551 56.400 0.142 0.000 0.801 1014 E CB -0.234 29.551 29.700 0.141 0.000 0.743 1014 E HN 0.459 nan 8.360 nan 0.000 0.453 1015 M N 0.240 119.879 119.600 0.064 0.000 2.082 1015 M HA -0.242 4.237 4.480 -0.001 0.000 0.258 1015 M C 1.950 178.271 176.300 0.035 0.000 1.069 1015 M CA 1.422 56.748 55.300 0.043 0.000 1.102 1015 M CB -0.050 32.572 32.600 0.037 0.000 1.336 1015 M HN 0.178 nan 8.290 nan 0.000 0.404 1016 L N 0.392 121.637 121.223 0.036 0.000 2.083 1016 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 1016 L C 2.144 179.025 176.870 0.019 0.000 1.083 1016 L CA 1.657 56.510 54.840 0.022 0.000 0.752 1016 L CB -0.921 41.149 42.059 0.017 0.000 0.899 1016 L HN 0.402 nan 8.230 nan 0.000 0.433 1017 L N -1.583 119.660 121.223 0.034 0.000 2.395 1017 L HA -0.099 4.240 4.340 -0.001 0.000 0.218 1017 L C 2.490 179.365 176.870 0.008 0.000 1.130 1017 L CA 0.432 55.283 54.840 0.019 0.000 0.826 1017 L CB -0.362 41.714 42.059 0.028 0.000 0.941 1017 L HN 0.206 nan 8.230 nan 0.000 0.451 1018 R N 0.015 120.526 120.500 0.018 0.000 2.115 1018 R HA -0.026 4.313 4.340 -0.001 0.000 0.230 1018 R C 0.273 176.582 176.300 0.016 0.000 1.111 1018 R CA 0.619 56.729 56.100 0.017 0.000 0.976 1018 R CB -0.150 30.163 30.300 0.023 0.000 0.870 1018 R HN 0.140 nan 8.270 nan 0.000 0.445 1019 I N 2.166 122.745 120.570 0.015 0.000 2.496 1019 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 1019 I C 0.656 176.782 176.117 0.015 0.000 1.080 1019 I CA 0.238 61.549 61.300 0.018 0.000 1.404 1019 I CB 1.158 39.170 38.000 0.019 0.000 1.403 1019 I HN 0.140 nan 8.210 nan 0.000 0.539 1020 D N 2.276 122.689 120.400 0.020 0.000 2.469 1020 D HA 0.175 4.815 4.640 -0.001 0.000 0.213 1020 D C -0.311 176.010 176.300 0.035 0.000 1.135 1020 D CA -0.006 54.006 54.000 0.019 0.000 0.834 1020 D CB 0.320 41.128 40.800 0.013 0.000 1.009 1020 D HN 0.359 nan 8.370 nan 0.000 0.507 1021 D N -0.283 120.143 120.400 0.044 0.000 2.812 1021 D HA 0.217 4.857 4.640 -0.001 0.000 0.210 1021 D C -1.672 174.667 176.300 0.064 0.000 1.260 1021 D CA -0.512 53.521 54.000 0.056 0.000 0.817 1021 D CB 2.191 43.015 40.800 0.040 0.000 1.694 1021 D HN -0.183 nan 8.370 nan 0.000 0.530 1022 V N 4.071 124.042 119.914 0.094 0.000 2.384 1022 V HA 0.544 4.664 4.120 -0.001 0.000 0.287 1022 V C 0.045 176.187 176.094 0.079 0.000 1.020 1022 V CA -0.588 61.772 62.300 0.100 0.000 0.850 1022 V CB 1.214 33.136 31.823 0.166 0.000 0.987 1022 V HN 0.415 nan 8.190 nan 0.000 0.436 1023 I N 4.511 125.115 120.570 0.056 0.000 2.355 1023 I HA 0.671 4.840 4.170 -0.001 0.000 0.288 1023 I C 0.431 176.571 176.117 0.038 0.000 0.999 1023 I CA -0.106 61.218 61.300 0.040 0.000 1.163 1023 I CB 1.746 39.763 38.000 0.028 0.000 1.316 1023 I HN 0.652 nan 8.210 nan 0.000 0.454 1024 A N 5.114 127.955 122.820 0.035 0.000 2.276 1024 A HA 0.884 5.203 4.320 -0.001 0.000 0.316 1024 A C 0.167 177.762 177.584 0.018 0.000 1.229 1024 A CA -0.568 51.487 52.037 0.029 0.000 0.851 1024 A CB 0.694 19.714 19.000 0.034 0.000 1.165 1024 A HN 0.780 nan 8.150 nan 0.000 0.513 1025 A N 1.970 124.799 122.820 0.015 0.000 2.371 1025 A HA 0.475 4.794 4.320 -0.001 0.000 0.257 1025 A C 0.593 178.181 177.584 0.008 0.000 1.089 1025 A CA -0.158 51.886 52.037 0.010 0.000 0.794 1025 A CB 0.087 19.092 19.000 0.010 0.000 1.029 1025 A HN 0.951 nan 8.150 nan 0.000 0.488 1026 E N 0.000 120.203 120.200 0.005 0.000 2.725 1026 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 1026 E CA 0.000 56.402 56.400 0.003 0.000 0.976 1026 E CB 0.000 29.701 29.700 0.002 0.000 0.812 1026 E HN 0.000 nan 8.360 nan 0.000 0.440