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 1tn8_1_B DATA FIRST_RESID 517 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 517 P HA 0.000 nan 4.420 nan 0.000 0.216 517 P C 0.000 177.025 177.300 -0.459 0.000 1.155 517 P CA 0.000 62.817 63.100 -0.471 0.000 0.800 517 P CB 0.000 31.090 31.700 -1.017 0.000 0.726 518 V N 0.842 120.591 119.914 -0.275 0.000 2.591 518 V HA -0.034 4.086 4.120 -0.000 0.000 0.249 518 V C 1.216 177.249 176.094 -0.101 0.000 1.053 518 V CA 1.622 63.850 62.300 -0.120 0.000 1.068 518 V CB -0.427 31.410 31.823 0.023 0.000 0.689 518 V HN 0.673 nan 8.190 nan 0.000 0.462 519 W N -0.231 121.068 121.300 -0.002 0.000 2.800 519 W HA 0.269 4.929 4.660 -0.000 0.000 0.249 519 W C 1.062 177.576 176.519 -0.008 0.000 1.294 519 W CA 0.315 57.659 57.345 -0.002 0.000 1.402 519 W CB -1.061 28.400 29.460 0.001 0.000 1.126 519 W HN 0.345 nan 8.180 nan 0.000 0.652 520 S N 2.222 117.468 115.700 -0.755 0.000 2.510 520 S HA 0.079 4.549 4.470 -0.000 0.000 0.279 520 S C -0.299 174.143 174.600 -0.263 0.000 1.284 520 S CA -0.203 57.608 58.200 -0.648 0.000 1.059 520 S CB 0.644 63.338 63.200 -0.844 0.000 0.901 520 S HN 0.172 nan 8.310 nan 0.000 0.491 521 E N 6.214 126.328 120.200 -0.142 0.000 2.130 521 E HA 0.347 4.697 4.350 -0.000 0.000 0.284 521 E C -1.476 175.054 176.600 -0.116 0.000 1.018 521 E CA -2.218 54.117 56.400 -0.108 0.000 0.817 521 E CB 1.124 30.779 29.700 -0.076 0.000 1.078 521 E HN 0.391 nan 8.360 nan 0.000 0.396 522 P HA -0.075 nan 4.420 nan 0.000 0.223 522 P C -0.062 177.190 177.300 -0.081 0.000 1.151 522 P CA 0.614 63.657 63.100 -0.096 0.000 0.787 522 P CB 0.373 32.014 31.700 -0.097 0.000 0.788 523 L N -0.018 121.133 121.223 -0.121 0.000 2.260 523 L HA 0.191 4.531 4.340 -0.000 0.000 0.289 523 L C 1.870 178.644 176.870 -0.160 0.000 1.057 523 L CA -0.801 53.951 54.840 -0.146 0.000 0.811 523 L CB 0.620 42.540 42.059 -0.233 0.000 1.184 523 L HN -0.164 nan 8.230 nan 0.000 0.429 524 Y N 2.800 122.954 120.300 -0.243 0.000 2.151 524 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 524 Y C 2.356 177.939 175.900 -0.529 0.000 1.166 524 Y CA 2.193 60.130 58.100 -0.271 0.000 1.163 524 Y CB 0.250 38.576 38.460 -0.223 0.000 0.974 524 Y HN 0.649 nan 8.280 nan 0.000 0.511 525 S N 0.031 115.281 115.700 -0.750 0.000 2.481 525 S HA -0.040 4.429 4.470 -0.000 0.000 0.231 525 S C 1.667 175.528 174.600 -1.232 0.000 0.996 525 S CA 1.177 58.429 58.200 -1.581 0.000 0.942 525 S CB -0.220 61.802 63.200 -1.964 0.000 0.768 525 S HN 0.466 nan 8.310 nan 0.000 0.520 526 L N 0.168 120.988 121.223 -0.671 0.000 2.590 526 L HA 0.232 4.572 4.340 -0.000 0.000 0.227 526 L C 0.637 177.384 176.870 -0.204 0.000 1.099 526 L CA -0.031 54.592 54.840 -0.362 0.000 0.872 526 L CB -0.114 41.785 42.059 -0.267 0.000 1.088 526 L HN 0.061 nan 8.230 nan 0.000 0.479 527 R N 1.165 121.526 120.500 -0.231 0.000 2.623 527 R HA -0.004 4.336 4.340 -0.000 0.000 0.271 527 R C -1.383 174.900 176.300 -0.028 0.000 1.043 527 R CA -1.130 54.907 56.100 -0.105 0.000 1.083 527 R CB 0.095 30.319 30.300 -0.127 0.000 0.974 527 R HN -0.154 nan 8.270 nan 0.000 0.436 528 P HA -0.205 nan 4.420 nan 0.000 0.216 528 P C 0.244 177.573 177.300 0.049 0.000 1.150 528 P CA 1.326 64.458 63.100 0.053 0.000 0.843 528 P CB 0.273 32.010 31.700 0.062 0.000 0.787 529 E N -2.075 118.143 120.200 0.029 0.000 2.204 529 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 529 E C 1.883 178.484 176.600 0.001 0.000 0.990 529 E CA 0.981 57.389 56.400 0.012 0.000 0.821 529 E CB -1.229 28.472 29.700 0.003 0.000 0.750 529 E HN 0.426 nan 8.360 nan 0.000 0.477 530 H N 0.634 119.630 119.070 -0.123 0.000 2.426 530 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 530 H C 1.872 177.246 175.328 0.076 0.000 1.107 530 H CA 1.631 57.600 56.048 -0.133 0.000 1.298 530 H CB -0.227 29.377 29.762 -0.262 0.000 1.377 530 H HN 0.221 nan 8.280 nan 0.000 0.519 531 A N 0.584 123.477 122.820 0.123 0.000 2.076 531 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 531 A C 2.307 179.897 177.584 0.011 0.000 1.160 531 A CA 1.520 53.624 52.037 0.113 0.000 0.653 531 A CB -0.396 18.662 19.000 0.098 0.000 0.801 531 A HN 0.483 nan 8.150 nan 0.000 0.455 532 R N -0.407 120.083 120.500 -0.016 0.000 2.280 532 R HA -0.026 4.314 4.340 -0.000 0.000 0.207 532 R C 0.803 177.070 176.300 -0.056 0.000 1.043 532 R CA 0.772 56.852 56.100 -0.033 0.000 1.006 532 R CB -0.012 30.275 30.300 -0.021 0.000 0.885 532 R HN 0.458 nan 8.270 nan 0.000 0.467 533 E N 0.643 120.794 120.200 -0.083 0.000 2.502 533 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 533 E C 0.310 176.879 176.600 -0.051 0.000 1.062 533 E CA 0.235 56.595 56.400 -0.066 0.000 0.867 533 E CB 0.107 29.710 29.700 -0.163 0.000 0.888 533 E HN 0.097 nan 8.360 nan 0.000 0.510 534 R N 0.833 121.236 120.500 -0.162 0.000 2.784 534 R HA 0.067 4.407 4.340 -0.000 0.000 0.266 534 R C 0.536 176.728 176.300 -0.180 0.000 1.044 534 R CA -0.574 55.324 56.100 -0.337 0.000 1.151 534 R CB 0.093 30.175 30.300 -0.363 0.000 1.037 534 R HN 0.058 nan 8.270 nan 0.000 0.478 535 L N 2.116 123.230 121.223 -0.181 0.000 2.499 535 L HA -0.034 4.306 4.340 -0.000 0.000 0.273 535 L C -0.120 176.703 176.870 -0.078 0.000 1.195 535 L CA 0.998 55.778 54.840 -0.101 0.000 0.882 535 L CB 0.308 42.314 42.059 -0.088 0.000 1.133 535 L HN 0.394 nan 8.230 nan 0.000 0.483 536 Q N 3.943 123.712 119.800 -0.051 0.000 2.431 536 Q HA 0.177 4.517 4.340 -0.000 0.000 0.249 536 Q C -0.226 175.757 176.000 -0.027 0.000 1.025 536 Q CA -0.366 55.414 55.803 -0.038 0.000 0.835 536 Q CB 0.979 29.700 28.738 -0.029 0.000 1.207 536 Q HN 0.723 nan 8.270 nan 0.000 0.490 537 D N 1.852 122.236 120.400 -0.027 0.000 2.328 537 D HA -0.100 4.540 4.640 -0.000 0.000 0.226 537 D C -0.397 175.896 176.300 -0.012 0.000 1.066 537 D CA -0.023 53.966 54.000 -0.018 0.000 0.861 537 D CB 0.190 40.978 40.800 -0.019 0.000 0.912 537 D HN 0.437 nan 8.370 nan 0.000 0.521 538 D N 0.235 120.627 120.400 -0.012 0.000 2.792 538 D HA -0.234 4.406 4.640 -0.000 0.000 0.231 538 D C -0.075 176.221 176.300 -0.007 0.000 1.160 538 D CA 1.088 55.083 54.000 -0.008 0.000 0.697 538 D CB -1.784 39.014 40.800 -0.004 0.000 1.070 538 D HN 0.248 nan 8.370 nan 0.000 0.426 539 S N -2.647 113.048 115.700 -0.009 0.000 3.358 539 S HA -0.241 4.229 4.470 -0.000 0.000 0.309 539 S C 0.329 174.926 174.600 -0.005 0.000 1.247 539 S CA 0.997 59.192 58.200 -0.008 0.000 0.961 539 S CB -0.589 62.607 63.200 -0.007 0.000 1.074 539 S HN 0.384 nan 8.310 nan 0.000 0.625 540 V N 2.159 122.070 119.914 -0.004 0.000 2.293 540 V HA 0.288 4.408 4.120 -0.000 0.000 0.275 540 V C 0.285 176.378 176.094 -0.001 0.000 1.021 540 V CA -0.496 61.803 62.300 -0.001 0.000 0.815 540 V CB 1.395 33.218 31.823 0.001 0.000 1.025 540 V HN 0.309 nan 8.190 nan 0.000 0.448 541 E N 3.349 123.549 120.200 -0.001 0.000 2.197 541 E HA 0.642 4.992 4.350 -0.000 0.000 0.281 541 E C -0.056 176.547 176.600 0.004 0.000 0.995 541 E CA -0.393 56.006 56.400 -0.000 0.000 0.808 541 E CB 1.995 31.694 29.700 -0.002 0.000 1.093 541 E HN 0.767 nan 8.360 nan 0.000 0.394 542 T N -2.260 112.297 114.554 0.006 0.000 2.841 542 T HA 0.201 4.551 4.350 -0.000 0.000 0.296 542 T C 1.032 175.739 174.700 0.012 0.000 1.166 542 T CA -0.815 61.291 62.100 0.010 0.000 1.007 542 T CB 0.951 69.827 68.868 0.014 0.000 1.253 542 T HN 0.100 nan 8.240 nan 0.000 0.511 543 V N 1.134 121.058 119.914 0.016 0.000 2.317 543 V HA -0.223 3.896 4.120 -0.000 0.000 0.251 543 V C 2.896 179.001 176.094 0.019 0.000 1.065 543 V CA 2.812 65.123 62.300 0.018 0.000 1.049 543 V CB -1.525 30.311 31.823 0.023 0.000 0.651 543 V HN 1.103 nan 8.190 nan 0.000 0.450 544 T N 0.537 115.104 114.554 0.022 0.000 2.652 544 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 544 T C 2.132 176.840 174.700 0.014 0.000 1.039 544 T CA 2.122 64.236 62.100 0.023 0.000 1.153 544 T CB -0.448 68.436 68.868 0.027 0.000 0.863 544 T HN 0.761 nan 8.240 nan 0.000 0.428 545 S N 1.622 117.327 115.700 0.008 0.000 2.368 545 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 545 S C 2.123 176.720 174.600 -0.005 0.000 1.030 545 S CA 0.892 59.091 58.200 -0.001 0.000 0.999 545 S CB -0.886 62.311 63.200 -0.005 0.000 0.844 545 S HN 0.485 nan 8.310 nan 0.000 0.459 546 I N 1.925 122.495 120.570 -0.001 0.000 2.163 546 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 546 I C 2.901 179.018 176.117 0.001 0.000 1.085 546 I CA 1.608 62.907 61.300 -0.002 0.000 1.347 546 I CB -0.430 37.572 38.000 0.003 0.000 1.044 546 I HN 0.269 nan 8.210 nan 0.000 0.408 547 E N 0.304 120.509 120.200 0.009 0.000 2.110 547 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 547 E C 2.019 178.627 176.600 0.013 0.000 0.988 547 E CA 1.127 57.535 56.400 0.015 0.000 0.804 547 E CB -0.318 29.397 29.700 0.024 0.000 0.745 547 E HN 0.427 nan 8.360 nan 0.000 0.458 548 Q N 0.824 120.629 119.800 0.008 0.000 2.119 548 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 548 Q C 1.918 177.911 176.000 -0.012 0.000 0.972 548 Q CA 1.824 57.629 55.803 0.004 0.000 0.847 548 Q CB -0.393 28.344 28.738 -0.002 0.000 0.903 548 Q HN 0.189 nan 8.270 nan 0.000 0.433 549 A N 0.429 123.233 122.820 -0.026 0.000 1.930 549 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 549 A C 1.983 179.547 177.584 -0.034 0.000 1.175 549 A CA 1.518 53.526 52.037 -0.048 0.000 0.627 549 A CB -0.400 18.573 19.000 -0.045 0.000 0.815 549 A HN 0.389 nan 8.150 nan 0.000 0.443 550 K N -0.396 119.996 120.400 -0.013 0.000 2.032 550 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 550 K C 1.896 178.499 176.600 0.006 0.000 1.048 550 K CA 1.574 57.859 56.287 -0.003 0.000 0.927 550 K CB -0.414 32.089 32.500 0.004 0.000 0.712 550 K HN 0.306 nan 8.250 nan 0.000 0.441 551 V N 1.993 121.918 119.914 0.018 0.000 2.295 551 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 551 V C 2.023 178.154 176.094 0.062 0.000 1.049 551 V CA 1.792 64.117 62.300 0.041 0.000 1.024 551 V CB -0.462 31.394 31.823 0.056 0.000 0.648 551 V HN 0.348 nan 8.190 nan 0.000 0.447 552 E N -0.225 120.004 120.200 0.049 0.000 2.118 552 E HA -0.273 4.076 4.350 -0.000 0.000 0.195 552 E C 2.250 178.870 176.600 0.033 0.000 0.992 552 E CA 1.282 57.719 56.400 0.061 0.000 0.804 552 E CB -0.167 29.394 29.700 -0.231 0.000 0.741 552 E HN 0.655 nan 8.360 nan 0.000 0.458 553 E N 1.187 121.376 120.200 -0.018 0.000 2.077 553 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 553 E C 2.024 178.642 176.600 0.029 0.000 0.989 553 E CA 1.101 57.499 56.400 -0.003 0.000 0.800 553 E CB 0.118 29.811 29.700 -0.010 0.000 0.746 553 E HN -0.077 nan 8.360 nan 0.000 0.452 554 K N 0.641 121.053 120.400 0.020 0.000 2.097 554 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 554 K C 1.935 178.514 176.600 -0.035 0.000 1.050 554 K CA 0.819 57.106 56.287 -0.000 0.000 0.938 554 K CB -0.148 32.351 32.500 -0.002 0.000 0.718 554 K HN 0.132 nan 8.250 nan 0.000 0.442 555 I N 0.816 121.371 120.570 -0.025 0.000 2.353 555 I HA -0.151 4.018 4.170 -0.000 0.000 0.248 555 I C 2.168 178.077 176.117 -0.346 0.000 1.119 555 I CA 1.083 62.249 61.300 -0.223 0.000 1.417 555 I CB -1.035 36.875 38.000 -0.149 0.000 1.078 555 I HN 0.324 nan 8.210 nan 0.000 0.421 556 Q N 1.663 121.511 119.800 0.080 0.000 2.084 556 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 556 Q C 2.009 178.055 176.000 0.077 0.000 0.978 556 Q CA 1.756 57.707 55.803 0.247 0.000 0.844 556 Q CB -0.143 28.780 28.738 0.309 0.000 0.898 556 Q HN 0.477 nan 8.270 nan 0.000 0.426 557 E N -0.988 119.224 120.200 0.021 0.000 2.058 557 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 557 E C 1.965 178.524 176.600 -0.068 0.000 0.997 557 E CA 1.571 57.969 56.400 -0.004 0.000 0.801 557 E CB -0.073 29.634 29.700 0.012 0.000 0.746 557 E HN 0.206 nan 8.360 nan 0.000 0.450 558 V N 0.869 120.719 119.914 -0.106 0.000 2.255 558 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 558 V C 2.000 178.126 176.094 0.054 0.000 1.051 558 V CA 1.820 64.059 62.300 -0.101 0.000 1.018 558 V CB -0.648 31.075 31.823 -0.167 0.000 0.641 558 V HN 0.291 nan 8.190 nan 0.000 0.445 559 F N 1.305 121.266 119.950 0.018 0.000 2.043 559 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 559 F C 2.543 178.353 175.800 0.017 0.000 1.121 559 F CA 1.501 59.519 58.000 0.029 0.000 1.199 559 F CB -0.540 38.439 39.000 -0.034 0.000 0.968 559 F HN 0.327 nan 8.300 nan 0.000 0.478 560 S N -0.238 115.494 115.700 0.054 0.000 2.701 560 S HA -0.037 4.433 4.470 -0.000 0.000 0.220 560 S C 1.555 175.821 174.600 -0.557 0.000 0.954 560 S CA 0.337 58.349 58.200 -0.314 0.000 0.936 560 S CB -0.545 62.285 63.200 -0.616 0.000 0.777 560 S HN 0.388 nan 8.310 nan 0.000 0.518 561 S N 0.771 116.298 115.700 -0.288 0.000 2.423 561 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 561 S C 1.457 175.864 174.600 -0.321 0.000 1.014 561 S CA 0.397 58.398 58.200 -0.332 0.000 0.965 561 S CB -0.915 62.063 63.200 -0.371 0.000 0.785 561 S HN 0.621 nan 8.310 nan 0.000 0.495 562 Y N 2.211 122.437 120.300 -0.123 0.000 2.220 562 Y HA 0.107 4.657 4.550 -0.000 0.000 0.291 562 Y C 2.638 178.494 175.900 -0.074 0.000 1.129 562 Y CA 1.136 59.193 58.100 -0.072 0.000 1.161 562 Y CB -0.451 37.978 38.460 -0.051 0.000 0.997 562 Y HN 0.247 nan 8.280 nan 0.000 0.522 563 K N 0.511 120.939 120.400 0.048 0.000 2.032 563 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 563 K C 1.861 178.506 176.600 0.075 0.000 1.048 563 K CA 1.820 58.137 56.287 0.050 0.000 0.927 563 K CB -0.586 31.904 32.500 -0.017 0.000 0.712 563 K HN 0.352 nan 8.250 nan 0.000 0.441 564 F N 0.793 120.651 119.950 -0.154 0.000 2.293 564 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 564 F C 1.826 177.304 175.800 -0.536 0.000 1.086 564 F CA -0.021 57.803 58.000 -0.293 0.000 1.375 564 F CB -0.014 38.903 39.000 -0.139 0.000 1.045 564 F HN 0.152 nan 8.300 nan 0.000 0.516 565 N N -0.951 117.642 118.700 -0.179 0.000 2.336 565 N HA -0.062 4.678 4.740 -0.000 0.000 0.189 565 N C -0.313 175.138 175.510 -0.098 0.000 1.113 565 N CA 0.472 53.428 53.050 -0.156 0.000 0.858 565 N CB -0.235 38.210 38.487 -0.070 0.000 0.970 565 N HN 0.263 nan 8.380 nan 0.000 0.471 566 H N -0.499 118.641 119.070 0.117 0.000 2.819 566 H HA -0.133 4.423 4.556 -0.000 0.000 0.323 566 H C -0.463 174.916 175.328 0.086 0.000 1.243 566 H CA 0.562 56.669 56.048 0.099 0.000 1.163 566 H CB -2.095 27.713 29.762 0.077 0.000 1.493 566 H HN 0.229 nan 8.280 nan 0.000 0.434 567 L N -0.528 120.792 121.223 0.161 0.000 2.333 567 L HA 0.572 4.912 4.340 -0.000 0.000 0.263 567 L C 0.586 177.551 176.870 0.159 0.000 1.014 567 L CA -1.346 53.583 54.840 0.149 0.000 0.820 567 L CB 2.335 44.476 42.059 0.137 0.000 1.352 567 L HN -0.138 nan 8.230 nan 0.000 0.421 568 V N 1.884 121.865 119.914 0.112 0.000 2.488 568 V HA 0.212 4.332 4.120 -0.000 0.000 0.277 568 V C -1.991 174.125 176.094 0.037 0.000 1.046 568 V CA -1.260 61.073 62.300 0.055 0.000 0.986 568 V CB 0.836 32.673 31.823 0.024 0.000 0.989 568 V HN 0.595 nan 8.190 nan 0.000 0.475 569 P HA 0.313 nan 4.420 nan 0.000 0.268 569 P C -0.694 176.464 177.300 -0.236 0.000 1.204 569 P CA -0.182 62.642 63.100 -0.461 0.000 0.768 569 P CB 0.295 31.520 31.700 -0.791 0.000 0.842 570 R N 2.605 123.018 120.500 -0.145 0.000 2.510 570 R HA 0.454 4.794 4.340 -0.000 0.000 0.287 570 R C -1.424 174.862 176.300 -0.023 0.000 1.084 570 R CA -0.726 55.339 56.100 -0.060 0.000 0.934 570 R CB 0.721 31.020 30.300 -0.001 0.000 1.201 570 R HN 0.251 nan 8.270 nan 0.000 0.431 571 L N 4.001 125.198 121.223 -0.044 0.000 2.268 571 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 571 L C -0.566 176.306 176.870 0.004 0.000 1.064 571 L CA -1.051 53.783 54.840 -0.011 0.000 0.824 571 L CB 1.400 43.442 42.059 -0.029 0.000 1.202 571 L HN 0.420 nan 8.230 nan 0.000 0.433 572 V N 4.527 124.454 119.914 0.022 0.000 2.448 572 V HA 0.272 4.392 4.120 -0.000 0.000 0.295 572 V C -0.062 176.050 176.094 0.030 0.000 1.025 572 V CA -0.665 61.646 62.300 0.017 0.000 0.859 572 V CB 2.381 34.210 31.823 0.011 0.000 0.988 572 V HN 0.464 nan 8.190 nan 0.000 0.431 573 L N 5.298 126.544 121.223 0.038 0.000 2.325 573 L HA 0.363 4.703 4.340 -0.000 0.000 0.284 573 L C 0.817 177.720 176.870 0.056 0.000 1.089 573 L CA 0.361 55.251 54.840 0.084 0.000 0.836 573 L CB 0.826 42.936 42.059 0.084 0.000 1.184 573 L HN 0.607 nan 8.230 nan 0.000 0.444 574 Q N 5.150 124.949 119.800 -0.002 0.000 3.034 574 Q HA -0.001 4.339 4.340 -0.000 0.000 0.249 574 Q C 1.151 176.970 176.000 -0.301 0.000 1.282 574 Q CA 0.273 55.946 55.803 -0.217 0.000 0.918 574 Q CB -0.390 28.125 28.738 -0.372 0.000 1.772 574 Q HN 0.714 nan 8.270 nan 0.000 0.498 575 R N 0.522 121.005 120.500 -0.029 0.000 2.115 575 R HA -0.267 4.072 4.340 -0.000 0.000 0.239 575 R C 1.901 178.239 176.300 0.062 0.000 1.133 575 R CA 1.903 58.041 56.100 0.064 0.000 0.935 575 R CB -0.064 30.258 30.300 0.037 0.000 0.853 575 R HN 0.328 nan 8.270 nan 0.000 0.433 576 E N 1.004 121.215 120.200 0.018 0.000 2.065 576 E HA -0.220 4.130 4.350 -0.000 0.000 0.201 576 E C 1.722 178.395 176.600 0.122 0.000 1.016 576 E CA 1.730 58.180 56.400 0.083 0.000 0.818 576 E CB 0.027 29.744 29.700 0.028 0.000 0.749 576 E HN 0.057 nan 8.360 nan 0.000 0.453 577 K N -0.221 120.153 120.400 -0.044 0.000 2.026 577 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 577 K C 2.222 178.862 176.600 0.067 0.000 1.048 577 K CA 1.628 57.874 56.287 -0.069 0.000 0.929 577 K CB -0.730 31.627 32.500 -0.239 0.000 0.713 577 K HN 0.431 nan 8.250 nan 0.000 0.439 578 H N -0.434 118.737 119.070 0.168 0.000 2.387 578 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 578 H C 2.010 177.520 175.328 0.304 0.000 1.090 578 H CA 0.950 57.130 56.048 0.221 0.000 1.332 578 H CB -0.630 29.222 29.762 0.150 0.000 1.386 578 H HN 0.140 nan 8.280 nan 0.000 0.516 579 F N 1.857 121.943 119.950 0.226 0.000 2.102 579 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 579 F C 2.878 178.777 175.800 0.165 0.000 1.105 579 F CA 1.833 59.925 58.000 0.154 0.000 1.239 579 F CB -0.578 38.479 39.000 0.095 0.000 0.991 579 F HN 0.212 nan 8.300 nan 0.000 0.474 580 H N -0.934 118.146 119.070 0.016 0.000 2.319 580 H HA -0.272 4.283 4.556 -0.000 0.000 0.299 580 H C 2.238 177.564 175.328 -0.002 0.000 1.092 580 H CA 2.317 58.310 56.048 -0.091 0.000 1.302 580 H CB -1.176 28.610 29.762 0.039 0.000 1.373 580 H HN 0.435 nan 8.280 nan 0.000 0.497 581 Y N 1.327 121.746 120.300 0.199 0.000 2.097 581 Y HA -0.221 4.329 4.550 -0.000 0.000 0.282 581 Y C 2.720 178.730 175.900 0.184 0.000 1.152 581 Y CA 1.917 60.144 58.100 0.211 0.000 1.136 581 Y CB -0.740 37.850 38.460 0.216 0.000 0.975 581 Y HN 0.157 nan 8.280 nan 0.000 0.498 582 L N 0.093 121.373 121.223 0.095 0.000 2.027 582 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 582 L C 2.620 179.312 176.870 -0.296 0.000 1.074 582 L CA 1.849 56.639 54.840 -0.083 0.000 0.745 582 L CB -0.688 41.388 42.059 0.028 0.000 0.898 582 L HN 0.102 nan 8.230 nan 0.000 0.433 583 K N 0.502 120.645 120.400 -0.428 0.000 2.044 583 K HA -0.272 4.047 4.320 -0.000 0.000 0.210 583 K C 2.367 178.721 176.600 -0.410 0.000 1.049 583 K CA 1.793 57.764 56.287 -0.527 0.000 0.927 583 K CB -0.060 31.911 32.500 -0.882 0.000 0.713 583 K HN 0.116 nan 8.250 nan 0.000 0.443 584 R N -0.411 119.840 120.500 -0.415 0.000 2.062 584 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 584 R C 2.332 178.450 176.300 -0.303 0.000 1.128 584 R CA 1.594 57.495 56.100 -0.333 0.000 0.960 584 R CB -0.600 29.500 30.300 -0.333 0.000 0.855 584 R HN 0.354 nan 8.270 nan 0.000 0.432 585 G N 1.358 109.944 108.800 -0.357 0.000 2.450 585 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 585 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 585 G C 1.278 175.808 174.900 -0.616 0.000 1.130 585 G CA 0.637 45.397 45.100 -0.566 0.000 0.760 585 G HN 0.330 nan 8.290 nan 0.000 0.557 586 L N -0.323 120.594 121.223 -0.510 0.000 2.353 586 L HA 0.186 4.525 4.340 -0.000 0.000 0.220 586 L C 2.433 179.105 176.870 -0.330 0.000 1.133 586 L CA 1.597 56.195 54.840 -0.404 0.000 0.798 586 L CB -0.169 41.705 42.059 -0.308 0.000 0.922 586 L HN 0.155 nan 8.230 nan 0.000 0.445 587 R N -1.478 118.842 120.500 -0.301 0.000 2.164 587 R HA 0.292 4.632 4.340 -0.000 0.000 0.198 587 R C 0.264 176.428 176.300 -0.228 0.000 1.028 587 R CA 0.350 56.305 56.100 -0.242 0.000 1.083 587 R CB 0.333 30.516 30.300 -0.195 0.000 1.026 587 R HN 0.426 nan 8.270 nan 0.000 0.514 588 Q N -0.234 119.434 119.800 -0.219 0.000 2.377 588 Q HA 0.503 4.843 4.340 -0.000 0.000 0.279 588 Q C -1.802 174.109 176.000 -0.147 0.000 1.049 588 Q CA -0.701 55.005 55.803 -0.162 0.000 0.825 588 Q CB 1.965 30.638 28.738 -0.108 0.000 1.401 588 Q HN 0.049 nan 8.270 nan 0.000 0.404 589 L N 1.215 122.382 121.223 -0.093 0.000 2.388 589 L HA 0.585 4.925 4.340 -0.000 0.000 0.264 589 L C 0.266 177.192 176.870 0.094 0.000 0.998 589 L CA -0.928 53.898 54.840 -0.023 0.000 0.817 589 L CB 2.195 44.193 42.059 -0.103 0.000 1.338 589 L HN 0.781 nan 8.230 nan 0.000 0.414 590 T N -3.544 111.126 114.554 0.193 0.000 2.754 590 T HA 0.063 4.413 4.350 -0.000 0.000 0.286 590 T C 0.762 175.582 174.700 0.199 0.000 0.997 590 T CA -0.213 61.993 62.100 0.175 0.000 0.982 590 T CB 0.645 69.621 68.868 0.180 0.000 1.027 590 T HN 0.746 nan 8.240 nan 0.000 0.529 591 D N -0.284 120.194 120.400 0.130 0.000 2.392 591 D HA 0.008 4.647 4.640 -0.000 0.000 0.228 591 D C 1.825 178.187 176.300 0.102 0.000 1.003 591 D CA 0.803 54.868 54.000 0.109 0.000 0.917 591 D CB -0.716 40.125 40.800 0.069 0.000 0.890 591 D HN 0.669 nan 8.370 nan 0.000 0.532 592 A N -0.390 122.502 122.820 0.120 0.000 2.067 592 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 592 A C 1.093 178.599 177.584 -0.131 0.000 1.158 592 A CA 0.505 52.542 52.037 0.001 0.000 0.661 592 A CB -0.806 18.193 19.000 -0.003 0.000 0.801 592 A HN 0.325 nan 8.150 nan 0.000 0.452 593 Y N 0.245 120.612 120.300 0.112 0.000 2.532 593 Y HA 0.165 4.715 4.550 -0.000 0.000 0.283 593 Y C 1.734 177.698 175.900 0.107 0.000 1.181 593 Y CA -0.070 58.111 58.100 0.135 0.000 1.256 593 Y CB -0.090 38.472 38.460 0.169 0.000 1.112 593 Y HN 0.442 nan 8.280 nan 0.000 0.521 594 E N -0.410 119.870 120.200 0.133 0.000 2.153 594 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 594 E C 2.001 178.657 176.600 0.092 0.000 0.988 594 E CA 1.437 57.900 56.400 0.105 0.000 0.811 594 E CB -0.166 29.575 29.700 0.068 0.000 0.746 594 E HN 0.647 nan 8.360 nan 0.000 0.466 595 C N -0.510 118.829 119.300 0.066 0.000 2.491 595 C HA 0.110 4.570 4.460 -0.000 0.000 0.277 595 C C 1.661 176.715 174.990 0.106 0.000 1.455 595 C CA -0.161 58.892 59.018 0.059 0.000 1.758 595 C CB -1.002 26.748 27.740 0.017 0.000 1.745 595 C HN 0.217 nan 8.230 nan 0.000 0.558 596 L N 0.649 121.974 121.223 0.169 0.000 3.066 596 L HA 0.238 4.578 4.340 -0.000 0.000 0.265 596 L C 1.519 178.511 176.870 0.204 0.000 1.232 596 L CA 0.159 55.140 54.840 0.235 0.000 1.031 596 L CB -0.224 42.078 42.059 0.404 0.000 1.379 596 L HN 0.147 nan 8.230 nan 0.000 0.563 597 D N 1.360 121.852 120.400 0.152 0.000 2.351 597 D HA -0.119 4.521 4.640 -0.000 0.000 0.216 597 D C 1.599 177.964 176.300 0.109 0.000 0.968 597 D CA 1.036 55.111 54.000 0.125 0.000 0.899 597 D CB 0.504 41.361 40.800 0.094 0.000 0.907 597 D HN 0.292 nan 8.370 nan 0.000 0.514 598 A N -0.959 121.922 122.820 0.102 0.000 2.535 598 A HA 0.397 4.717 4.320 -0.000 0.000 0.273 598 A C 0.864 178.505 177.584 0.096 0.000 1.267 598 A CA -0.317 51.762 52.037 0.071 0.000 0.940 598 A CB 0.480 19.500 19.000 0.035 0.000 1.101 598 A HN 0.039 nan 8.150 nan 0.000 0.521 599 S N -0.664 115.132 115.700 0.160 0.000 2.977 599 S HA 0.173 4.643 4.470 -0.000 0.000 0.250 599 S C 1.166 175.877 174.600 0.184 0.000 1.005 599 S CA -0.478 57.869 58.200 0.246 0.000 1.081 599 S CB 0.038 63.428 63.200 0.317 0.000 1.018 599 S HN 0.587 nan 8.310 nan 0.000 0.539 600 R N 1.770 122.364 120.500 0.157 0.000 2.120 600 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 600 R C -1.138 175.241 176.300 0.131 0.000 1.123 600 R CA 1.274 57.476 56.100 0.170 0.000 0.975 600 R CB -1.139 29.343 30.300 0.303 0.000 0.866 600 R HN 0.302 nan 8.270 nan 0.000 0.446 601 P HA -0.135 nan 4.420 nan 0.000 0.221 601 P C 0.407 177.611 177.300 -0.160 0.000 1.150 601 P CA 0.966 64.012 63.100 -0.089 0.000 0.800 601 P CB -0.047 31.509 31.700 -0.240 0.000 0.787 602 W N -0.581 120.528 121.300 -0.317 0.000 2.358 602 W HA -0.104 4.556 4.660 -0.000 0.000 0.303 602 W C 2.074 178.036 176.519 -0.927 0.000 1.208 602 W CA 0.383 57.286 57.345 -0.737 0.000 1.274 602 W CB -0.770 28.080 29.460 -1.017 0.000 1.138 602 W HN -0.133 nan 8.180 nan 0.000 0.515 603 L N -0.982 120.084 121.223 -0.262 0.000 2.046 603 L HA -0.288 4.051 4.340 -0.000 0.000 0.208 603 L C 2.421 179.233 176.870 -0.096 0.000 1.077 603 L CA 1.152 55.956 54.840 -0.060 0.000 0.747 603 L CB -1.060 40.977 42.059 -0.036 0.000 0.896 603 L HN 0.083 nan 8.230 nan 0.000 0.432 604 C N -1.225 118.022 119.300 -0.088 0.000 2.413 604 C HA -0.248 4.212 4.460 -0.000 0.000 0.276 604 C C 2.754 177.718 174.990 -0.043 0.000 1.236 604 C CA 0.864 59.836 59.018 -0.077 0.000 1.735 604 C CB -0.851 26.875 27.740 -0.023 0.000 2.031 604 C HN 0.568 nan 8.230 nan 0.000 0.474 605 Y N 0.518 120.732 120.300 -0.142 0.000 2.133 605 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 605 Y C 2.331 178.283 175.900 0.086 0.000 1.134 605 Y CA 1.430 59.476 58.100 -0.091 0.000 1.133 605 Y CB -0.729 37.629 38.460 -0.170 0.000 0.987 605 Y HN 0.374 nan 8.280 nan 0.000 0.502 606 W N 0.701 121.879 121.300 -0.205 0.000 2.321 606 W HA -0.243 4.417 4.660 -0.000 0.000 0.306 606 W C 2.438 178.784 176.519 -0.288 0.000 1.217 606 W CA 1.559 58.705 57.345 -0.332 0.000 1.257 606 W CB -1.278 28.199 29.460 0.029 0.000 1.145 606 W HN 0.217 nan 8.180 nan 0.000 0.509 607 I N -0.360 120.219 120.570 0.014 0.000 2.193 607 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 607 I C 2.495 178.549 176.117 -0.105 0.000 1.084 607 I CA 1.072 62.311 61.300 -0.100 0.000 1.365 607 I CB -0.935 36.894 38.000 -0.285 0.000 1.064 607 I HN -0.184 nan 8.210 nan 0.000 0.410 608 L N 0.027 121.187 121.223 -0.105 0.000 2.042 608 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 608 L C 2.775 179.617 176.870 -0.046 0.000 1.076 608 L CA 1.618 56.419 54.840 -0.066 0.000 0.749 608 L CB -0.868 41.168 42.059 -0.039 0.000 0.893 608 L HN 0.355 nan 8.230 nan 0.000 0.432 609 H N -0.467 118.460 119.070 -0.238 0.000 2.389 609 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 609 H C 2.388 177.604 175.328 -0.187 0.000 1.081 609 H CA 1.607 57.507 56.048 -0.247 0.000 1.345 609 H CB 0.100 29.555 29.762 -0.511 0.000 1.393 609 H HN 0.130 nan 8.280 nan 0.000 0.520 610 S N -0.070 115.487 115.700 -0.239 0.000 2.368 610 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 610 S C 2.317 176.844 174.600 -0.122 0.000 1.030 610 S CA 1.215 59.285 58.200 -0.216 0.000 0.999 610 S CB -0.292 62.856 63.200 -0.087 0.000 0.844 610 S HN 0.365 nan 8.310 nan 0.000 0.459 611 L N 1.265 122.458 121.223 -0.051 0.000 2.083 611 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 611 L C 2.721 179.581 176.870 -0.016 0.000 1.083 611 L CA 1.497 56.352 54.840 0.026 0.000 0.752 611 L CB -0.529 41.559 42.059 0.048 0.000 0.899 611 L HN 0.433 nan 8.230 nan 0.000 0.433 612 E N 0.777 120.938 120.200 -0.065 0.000 2.051 612 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 612 E C 2.367 178.910 176.600 -0.096 0.000 0.991 612 E CA 1.193 57.558 56.400 -0.058 0.000 0.799 612 E CB -0.086 29.602 29.700 -0.020 0.000 0.748 612 E HN 0.444 nan 8.360 nan 0.000 0.449 613 L N 0.597 121.694 121.223 -0.211 0.000 2.046 613 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 613 L C 2.501 179.326 176.870 -0.075 0.000 1.077 613 L CA 0.891 55.624 54.840 -0.179 0.000 0.747 613 L CB -0.256 41.622 42.059 -0.302 0.000 0.896 613 L HN 0.274 nan 8.230 nan 0.000 0.432 614 L N -0.586 120.603 121.223 -0.057 0.000 2.622 614 L HA -0.082 4.258 4.340 -0.000 0.000 0.233 614 L C 0.382 177.238 176.870 -0.023 0.000 1.156 614 L CA 0.118 54.953 54.840 -0.010 0.000 0.866 614 L CB -0.474 41.611 42.059 0.044 0.000 0.980 614 L HN 0.308 nan 8.230 nan 0.000 0.448 615 D N 1.065 121.447 120.400 -0.029 0.000 2.699 615 D HA -0.171 4.469 4.640 -0.000 0.000 0.239 615 D C -0.147 176.122 176.300 -0.051 0.000 1.136 615 D CA 0.561 54.541 54.000 -0.033 0.000 0.668 615 D CB -0.358 40.425 40.800 -0.029 0.000 1.060 615 D HN 0.254 nan 8.370 nan 0.000 0.429 616 E N 1.031 121.211 120.200 -0.033 0.000 2.166 616 E HA 0.402 4.752 4.350 -0.000 0.000 0.275 616 E C -1.899 174.706 176.600 0.008 0.000 0.941 616 E CA -1.632 54.742 56.400 -0.043 0.000 0.784 616 E CB 1.236 30.962 29.700 0.045 0.000 1.115 616 E HN 0.266 nan 8.360 nan 0.000 0.399 617 P HA 0.160 nan 4.420 nan 0.000 0.269 617 P C -0.241 177.077 177.300 0.030 0.000 1.209 617 P CA -0.240 62.864 63.100 0.005 0.000 0.776 617 P CB 0.871 32.566 31.700 -0.008 0.000 0.876 618 I N 3.391 123.965 120.570 0.007 0.000 2.347 618 I HA 0.249 4.418 4.170 -0.000 0.000 0.283 618 I C -2.088 174.021 176.117 -0.013 0.000 1.058 618 I CA -2.770 58.528 61.300 -0.002 0.000 1.202 618 I CB 0.007 37.995 38.000 -0.021 0.000 1.386 618 I HN 0.134 nan 8.210 nan 0.000 0.475 619 P HA 0.013 nan 4.420 nan 0.000 0.265 619 P C 0.757 178.040 177.300 -0.028 0.000 1.187 619 P CA -0.095 62.996 63.100 -0.014 0.000 0.766 619 P CB 0.627 32.321 31.700 -0.009 0.000 0.820 620 Q N 1.915 121.697 119.800 -0.030 0.000 2.291 620 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 620 Q C 1.824 177.802 176.000 -0.036 0.000 0.976 620 Q CA 1.324 57.105 55.803 -0.038 0.000 0.875 620 Q CB -0.477 28.239 28.738 -0.036 0.000 0.927 620 Q HN 0.598 nan 8.270 nan 0.000 0.450 621 I N -0.341 120.209 120.570 -0.032 0.000 2.226 621 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 621 I C 2.086 178.179 176.117 -0.040 0.000 1.100 621 I CA 0.805 62.085 61.300 -0.033 0.000 1.374 621 I CB -0.213 37.769 38.000 -0.031 0.000 1.057 621 I HN 0.000 nan 8.210 nan 0.000 0.413 622 V N 1.035 120.922 119.914 -0.045 0.000 2.244 622 V HA -0.269 3.851 4.120 -0.000 0.000 0.244 622 V C 2.765 178.829 176.094 -0.052 0.000 1.042 622 V CA 1.911 64.177 62.300 -0.056 0.000 1.006 622 V CB -1.203 30.584 31.823 -0.061 0.000 0.641 622 V HN 0.477 nan 8.190 nan 0.000 0.446 623 A N -0.470 122.320 122.820 -0.050 0.000 1.915 623 A HA -0.365 3.955 4.320 -0.000 0.000 0.220 623 A C 2.458 180.013 177.584 -0.048 0.000 1.198 623 A CA 3.060 55.064 52.037 -0.055 0.000 0.647 623 A CB -1.223 17.738 19.000 -0.065 0.000 0.825 623 A HN 0.495 nan 8.150 nan 0.000 0.456 624 T N -1.416 113.113 114.554 -0.041 0.000 2.904 624 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 624 T C 1.463 176.155 174.700 -0.012 0.000 1.059 624 T CA 1.654 63.736 62.100 -0.030 0.000 1.137 624 T CB -0.484 68.367 68.868 -0.028 0.000 0.879 624 T HN 0.459 nan 8.240 nan 0.000 0.467 625 D N 0.353 120.743 120.400 -0.016 0.000 2.224 625 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 625 D C 2.141 178.459 176.300 0.030 0.000 0.965 625 D CA 0.501 54.499 54.000 -0.003 0.000 0.852 625 D CB -0.206 40.575 40.800 -0.032 0.000 0.947 625 D HN 0.283 nan 8.370 nan 0.000 0.494 626 V N 0.238 120.158 119.914 0.010 0.000 2.323 626 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 626 V C 2.628 178.763 176.094 0.069 0.000 1.041 626 V CA 1.145 63.472 62.300 0.045 0.000 1.025 626 V CB -0.489 31.327 31.823 -0.011 0.000 0.656 626 V HN 0.292 nan 8.190 nan 0.000 0.451 627 C N -0.249 119.061 119.300 0.017 0.000 2.398 627 C HA -0.254 4.206 4.460 -0.000 0.000 0.276 627 C C 2.882 177.894 174.990 0.036 0.000 1.222 627 C CA 1.407 60.431 59.018 0.009 0.000 1.746 627 C CB -1.192 26.541 27.740 -0.012 0.000 2.039 627 C HN 0.610 nan 8.230 nan 0.000 0.470 628 Q N -0.899 118.930 119.800 0.049 0.000 2.124 628 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 628 Q C 2.027 178.078 176.000 0.085 0.000 0.977 628 Q CA 1.623 57.459 55.803 0.056 0.000 0.850 628 Q CB -0.355 28.414 28.738 0.052 0.000 0.901 628 Q HN 0.782 nan 8.270 nan 0.000 0.429 629 F N 1.217 121.155 119.950 -0.020 0.000 2.113 629 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 629 F C 1.718 177.520 175.800 0.004 0.000 1.103 629 F CA 1.185 59.173 58.000 -0.020 0.000 1.248 629 F CB -0.217 38.757 39.000 -0.043 0.000 0.999 629 F HN -0.056 nan 8.300 nan 0.000 0.475 630 L N 0.015 121.134 121.223 -0.174 0.000 2.131 630 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 630 L C 2.390 179.260 176.870 0.000 0.000 1.092 630 L CA 1.451 56.166 54.840 -0.208 0.000 0.759 630 L CB -0.792 41.170 42.059 -0.162 0.000 0.903 630 L HN 0.235 nan 8.230 nan 0.000 0.435 631 E N 0.309 120.513 120.200 0.006 0.000 2.077 631 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 631 E C 2.316 178.880 176.600 -0.060 0.000 0.989 631 E CA 1.063 57.477 56.400 0.024 0.000 0.800 631 E CB -0.068 29.640 29.700 0.014 0.000 0.746 631 E HN 0.490 nan 8.360 nan 0.000 0.452 632 L N 0.011 121.160 121.223 -0.123 0.000 2.201 632 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 632 L C 2.294 179.043 176.870 -0.202 0.000 1.105 632 L CA 0.424 55.176 54.840 -0.147 0.000 0.775 632 L CB -0.136 41.846 42.059 -0.128 0.000 0.913 632 L HN 0.293 nan 8.230 nan 0.000 0.440 633 C N -0.997 118.140 119.300 -0.271 0.000 2.514 633 C HA -0.023 4.437 4.460 -0.000 0.000 0.271 633 C C 1.534 176.457 174.990 -0.110 0.000 1.399 633 C CA -0.430 58.464 59.018 -0.206 0.000 1.765 633 C CB -0.780 26.805 27.740 -0.259 0.000 1.893 633 C HN 0.410 nan 8.230 nan 0.000 0.531 634 Q N 1.538 121.237 119.800 -0.167 0.000 2.332 634 Q HA 0.173 4.513 4.340 -0.000 0.000 0.263 634 Q C 0.266 176.054 176.000 -0.353 0.000 0.979 634 Q CA 0.174 55.666 55.803 -0.518 0.000 0.885 634 Q CB 0.632 28.983 28.738 -0.645 0.000 1.218 634 Q HN 0.455 nan 8.270 nan 0.000 0.405 635 S N 3.545 119.010 115.700 -0.392 0.000 2.584 635 S HA 0.282 4.752 4.470 -0.000 0.000 0.273 635 S C -1.862 172.611 174.600 -0.212 0.000 1.311 635 S CA -1.485 56.567 58.200 -0.247 0.000 1.034 635 S CB 0.789 63.841 63.200 -0.247 0.000 0.939 635 S HN 0.590 nan 8.310 nan 0.000 0.513 636 P HA 0.017 nan 4.420 nan 0.000 0.222 636 P C 0.118 177.368 177.300 -0.084 0.000 1.147 636 P CA 0.852 63.898 63.100 -0.091 0.000 0.790 636 P CB 0.096 31.766 31.700 -0.050 0.000 0.780 637 D N -1.096 119.252 120.400 -0.087 0.000 2.339 637 D HA 0.246 4.886 4.640 -0.000 0.000 0.217 637 D C 1.066 177.320 176.300 -0.077 0.000 1.050 637 D CA 0.626 54.596 54.000 -0.051 0.000 0.856 637 D CB 0.217 41.013 40.800 -0.007 0.000 0.922 637 D HN 0.101 nan 8.370 nan 0.000 0.518 638 G N -0.299 108.382 108.800 -0.198 0.000 2.617 638 G HA2 0.413 4.373 3.960 -0.000 0.000 0.686 638 G HA3 0.413 4.373 3.960 -0.000 0.000 0.686 638 G C 0.169 174.731 174.900 -0.564 0.000 1.214 638 G CA -0.400 44.548 45.100 -0.253 0.000 0.796 638 G HN 0.659 nan 8.290 nan 0.000 0.654 639 G N -0.815 107.662 108.800 -0.538 0.000 2.781 639 G HA2 0.358 4.317 3.960 -0.000 0.000 0.683 639 G HA3 0.358 4.317 3.960 -0.000 0.000 0.683 639 G C -0.478 174.015 174.900 -0.678 0.000 1.390 639 G CA 0.071 44.825 45.100 -0.578 0.000 0.850 639 G HN 1.732 nan 8.290 nan 0.000 0.557 640 F N 0.494 120.303 119.950 -0.236 0.000 2.522 640 F HA 0.711 5.238 4.527 -0.000 0.000 0.324 640 F C 1.167 176.879 175.800 -0.146 0.000 1.077 640 F CA 0.267 58.151 58.000 -0.193 0.000 0.944 640 F CB 2.073 40.961 39.000 -0.187 0.000 1.175 640 F HN 0.794 nan 8.300 nan 0.000 0.468 641 G N -0.029 108.789 108.800 0.030 0.000 2.531 641 G HA2 0.436 4.396 3.960 -0.000 0.000 0.313 641 G HA3 0.436 4.396 3.960 -0.000 0.000 0.313 641 G C 0.813 175.715 174.900 0.004 0.000 1.238 641 G CA -0.439 44.672 45.100 0.018 0.000 0.994 641 G HN 0.894 nan 8.290 nan 0.000 0.493 642 G N -1.762 107.037 108.800 -0.001 0.000 2.744 642 G HA2 0.456 4.416 3.960 -0.000 0.000 0.211 642 G HA3 0.456 4.416 3.960 -0.000 0.000 0.211 642 G C 0.657 175.578 174.900 0.036 0.000 1.143 642 G CA 0.930 46.036 45.100 0.010 0.000 0.788 642 G HN 1.254 nan 8.290 nan 0.000 0.534 643 G N -1.317 107.481 108.800 -0.003 0.000 2.451 643 G HA2 0.472 4.432 3.960 -0.000 0.000 0.292 643 G HA3 0.472 4.432 3.960 -0.000 0.000 0.292 643 G C -3.445 171.419 174.900 -0.061 0.000 1.427 643 G CA -0.978 44.130 45.100 0.013 0.000 0.792 643 G HN -0.107 nan 8.290 nan 0.000 0.498 644 P HA 0.317 nan 4.420 nan 0.000 0.263 644 P C 1.032 178.295 177.300 -0.062 0.000 1.195 644 P CA 1.996 65.051 63.100 -0.074 0.000 0.762 644 P CB 0.963 32.656 31.700 -0.012 0.000 0.799 645 G N 1.809 110.556 108.800 -0.087 0.000 2.179 645 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 645 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 645 G C 0.082 174.880 174.900 -0.170 0.000 0.977 645 G CA -0.264 44.771 45.100 -0.109 0.000 0.641 645 G HN 0.562 nan 8.290 nan 0.000 0.533 646 Q N -0.616 119.101 119.800 -0.137 0.000 2.230 646 Q HA 0.566 4.906 4.340 -0.000 0.000 0.248 646 Q C -0.001 175.942 176.000 -0.095 0.000 0.915 646 Q CA -0.799 54.909 55.803 -0.159 0.000 0.900 646 Q CB 1.003 29.698 28.738 -0.072 0.000 1.229 646 Q HN 0.466 nan 8.270 nan 0.000 0.439 647 Y N 2.137 122.430 120.300 -0.011 0.000 2.550 647 Y HA 0.037 4.587 4.550 -0.000 0.000 0.343 647 Y C -1.567 174.326 175.900 -0.010 0.000 1.245 647 Y CA -1.664 56.434 58.100 -0.003 0.000 1.462 647 Y CB 0.122 38.612 38.460 0.051 0.000 1.340 647 Y HN 0.427 nan 8.280 nan 0.000 0.604 648 P HA -0.020 nan 4.420 nan 0.000 0.271 648 P C -1.051 176.381 177.300 0.220 0.000 1.218 648 P CA 0.530 63.588 63.100 -0.071 0.000 0.780 648 P CB 1.030 32.357 31.700 -0.621 0.000 0.901 649 H N 2.317 121.471 119.070 0.141 0.000 3.029 649 H HA 0.180 4.736 4.556 -0.000 0.000 0.358 649 H C 0.711 176.197 175.328 0.262 0.000 1.129 649 H CA -0.564 55.647 56.048 0.271 0.000 1.230 649 H CB 1.495 31.336 29.762 0.131 0.000 1.827 649 H HN 0.215 nan 8.280 nan 0.000 0.530 650 L N 2.898 124.297 121.223 0.292 0.000 2.187 650 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 650 L C 2.392 179.435 176.870 0.289 0.000 1.100 650 L CA 1.498 56.494 54.840 0.260 0.000 0.765 650 L CB -0.377 41.738 42.059 0.094 0.000 0.904 650 L HN 0.655 nan 8.230 nan 0.000 0.437 651 A N 0.774 123.918 122.820 0.539 0.000 1.854 651 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 651 A C -0.136 177.323 177.584 -0.209 0.000 1.192 651 A CA 1.236 53.474 52.037 0.334 0.000 0.611 651 A CB -1.703 17.699 19.000 0.670 0.000 0.832 651 A HN 0.271 nan 8.150 nan 0.000 0.442 652 P HA -0.071 nan 4.420 nan 0.000 0.223 652 P C 1.194 178.342 177.300 -0.253 0.000 1.151 652 P CA 1.451 64.335 63.100 -0.361 0.000 0.787 652 P CB -0.269 31.353 31.700 -0.130 0.000 0.788 653 T N -0.708 113.835 114.554 -0.017 0.000 2.777 653 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 653 T C 1.705 176.335 174.700 -0.116 0.000 1.040 653 T CA 1.158 63.313 62.100 0.090 0.000 1.141 653 T CB -1.036 67.969 68.868 0.229 0.000 0.868 653 T HN 0.087 nan 8.240 nan 0.000 0.444 654 Y N 2.185 122.320 120.300 -0.274 0.000 2.145 654 Y HA -0.025 4.525 4.550 -0.000 0.000 0.286 654 Y C 2.468 178.033 175.900 -0.557 0.000 1.145 654 Y CA 1.009 58.893 58.100 -0.361 0.000 1.148 654 Y CB -0.750 37.521 38.460 -0.315 0.000 0.981 654 Y HN 0.159 nan 8.280 nan 0.000 0.507 655 A N 0.928 123.213 122.820 -0.891 0.000 1.877 655 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 655 A C 2.469 179.623 177.584 -0.718 0.000 1.186 655 A CA 2.069 53.483 52.037 -1.037 0.000 0.620 655 A CB -1.619 16.699 19.000 -1.137 0.000 0.822 655 A HN 0.662 nan 8.150 nan 0.000 0.443 656 A N -0.484 121.931 122.820 -0.676 0.000 1.865 656 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 656 A C 2.250 179.425 177.584 -0.681 0.000 1.191 656 A CA 2.043 53.619 52.037 -0.769 0.000 0.623 656 A CB -1.151 17.022 19.000 -1.378 0.000 0.826 656 A HN 0.455 nan 8.150 nan 0.000 0.444 657 V N 0.760 120.303 119.914 -0.618 0.000 2.332 657 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 657 V C 2.366 178.252 176.094 -0.347 0.000 1.055 657 V CA 2.299 64.362 62.300 -0.395 0.000 1.038 657 V CB -1.097 30.558 31.823 -0.281 0.000 0.651 657 V HN 0.560 nan 8.190 nan 0.000 0.450 658 N N 0.273 118.669 118.700 -0.507 0.000 2.120 658 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 658 N C 1.835 177.243 175.510 -0.170 0.000 1.024 658 N CA 1.644 54.438 53.050 -0.427 0.000 0.852 658 N CB -0.526 37.440 38.487 -0.870 0.000 1.003 658 N HN 0.493 nan 8.380 nan 0.000 0.424 659 A N 0.802 123.522 122.820 -0.168 0.000 1.877 659 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 659 A C 2.306 179.842 177.584 -0.080 0.000 1.186 659 A CA 0.973 52.978 52.037 -0.053 0.000 0.620 659 A CB -0.823 18.123 19.000 -0.091 0.000 0.822 659 A HN 0.253 nan 8.150 nan 0.000 0.443 660 L N -0.799 120.346 121.223 -0.130 0.000 2.079 660 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 660 L C 2.635 179.489 176.870 -0.028 0.000 1.081 660 L CA 1.205 55.995 54.840 -0.083 0.000 0.752 660 L CB -0.678 41.344 42.059 -0.062 0.000 0.896 660 L HN 0.494 nan 8.230 nan 0.000 0.433 661 C N -0.345 118.967 119.300 0.020 0.000 2.450 661 C HA -0.054 4.406 4.460 -0.000 0.000 0.279 661 C C 2.707 177.724 174.990 0.045 0.000 1.335 661 C CA 0.152 59.238 59.018 0.114 0.000 1.749 661 C CB -0.512 27.266 27.740 0.063 0.000 1.963 661 C HN 0.428 nan 8.230 nan 0.000 0.501 662 I N 0.706 121.286 120.570 0.016 0.000 2.315 662 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 662 I C 2.242 178.349 176.117 -0.018 0.000 1.117 662 I CA 1.647 62.965 61.300 0.030 0.000 1.404 662 I CB -0.300 37.739 38.000 0.063 0.000 1.071 662 I HN 0.313 nan 8.210 nan 0.000 0.419 663 I N 0.536 121.069 120.570 -0.061 0.000 2.315 663 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 663 I C 1.871 177.878 176.117 -0.184 0.000 1.117 663 I CA 1.112 62.346 61.300 -0.110 0.000 1.404 663 I CB -0.762 37.163 38.000 -0.125 0.000 1.071 663 I HN 0.439 nan 8.210 nan 0.000 0.419 664 G N 1.996 110.634 108.800 -0.270 0.000 2.233 664 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.270 664 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.270 664 G C 0.448 174.901 174.900 -0.744 0.000 1.011 664 G CA 0.733 45.546 45.100 -0.479 0.000 0.762 664 G HN 0.518 nan 8.290 nan 0.000 0.511 665 T N -3.498 110.648 114.554 -0.680 0.000 2.902 665 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 665 T C 1.105 175.407 174.700 -0.663 0.000 0.992 665 T CA 0.367 62.162 62.100 -0.509 0.000 1.015 665 T CB 2.024 70.724 68.868 -0.280 0.000 1.044 665 T HN 0.142 nan 8.240 nan 0.000 0.520 666 E N 0.391 120.377 120.200 -0.356 0.000 2.118 666 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 666 E C 1.954 178.465 176.600 -0.149 0.000 0.992 666 E CA 1.961 58.237 56.400 -0.206 0.000 0.804 666 E CB -0.249 29.412 29.700 -0.066 0.000 0.741 666 E HN 0.876 nan 8.360 nan 0.000 0.458 667 E N -0.395 119.719 120.200 -0.143 0.000 2.051 667 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 667 E C 1.985 178.539 176.600 -0.077 0.000 0.991 667 E CA 1.219 57.572 56.400 -0.080 0.000 0.799 667 E CB -0.303 29.353 29.700 -0.073 0.000 0.748 667 E HN 0.330 nan 8.360 nan 0.000 0.449 668 A N 0.452 123.167 122.820 -0.174 0.000 1.883 668 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 668 A C 2.047 179.638 177.584 0.011 0.000 1.186 668 A CA 1.565 53.522 52.037 -0.134 0.000 0.624 668 A CB -1.160 17.692 19.000 -0.247 0.000 0.822 668 A HN 0.534 nan 8.150 nan 0.000 0.444 669 Y N 0.145 120.418 120.300 -0.045 0.000 2.181 669 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 669 Y C 2.266 178.272 175.900 0.176 0.000 1.146 669 Y CA 0.807 58.935 58.100 0.047 0.000 1.164 669 Y CB -0.214 37.960 38.460 -0.476 0.000 0.982 669 Y HN 0.319 nan 8.280 nan 0.000 0.515 670 N N -0.071 118.770 118.700 0.234 0.000 2.520 670 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 670 N C 1.658 177.268 175.510 0.167 0.000 1.068 670 N CA 0.570 53.738 53.050 0.197 0.000 0.911 670 N CB -0.186 38.372 38.487 0.119 0.000 0.961 670 N HN 0.192 nan 8.380 nan 0.000 0.446 671 V N 1.358 121.370 119.914 0.164 0.000 2.427 671 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 671 V C 1.174 177.384 176.094 0.193 0.000 1.051 671 V CA 0.688 63.078 62.300 0.150 0.000 1.048 671 V CB -0.168 31.740 31.823 0.142 0.000 0.666 671 V HN 0.199 nan 8.190 nan 0.000 0.456 672 I N 2.338 123.062 120.570 0.256 0.000 2.581 672 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 672 I C 0.530 176.727 176.117 0.134 0.000 1.129 672 I CA 0.200 61.645 61.300 0.241 0.000 1.397 672 I CB -0.162 37.970 38.000 0.219 0.000 1.399 672 I HN 0.177 nan 8.210 nan 0.000 0.537 673 N N 7.243 125.961 118.700 0.030 0.000 2.448 673 N HA 0.101 4.841 4.740 -0.000 0.000 0.250 673 N C 0.987 176.503 175.510 0.011 0.000 1.136 673 N CA 0.055 53.109 53.050 0.007 0.000 0.953 673 N CB 0.516 38.967 38.487 -0.061 0.000 1.251 673 N HN 0.459 nan 8.380 nan 0.000 0.502 674 R N 2.134 122.663 120.500 0.049 0.000 2.092 674 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 674 R C 0.983 177.308 176.300 0.041 0.000 1.119 674 R CA 1.360 57.481 56.100 0.035 0.000 0.970 674 R CB 0.194 30.530 30.300 0.060 0.000 0.864 674 R HN 0.490 nan 8.270 nan 0.000 0.440 675 E N 0.654 120.884 120.200 0.049 0.000 2.031 675 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 675 E C 1.849 178.477 176.600 0.047 0.000 0.994 675 E CA 1.106 57.537 56.400 0.053 0.000 0.800 675 E CB 0.053 29.779 29.700 0.044 0.000 0.752 675 E HN 0.026 nan 8.360 nan 0.000 0.447 676 K N 0.269 120.681 120.400 0.021 0.000 2.097 676 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 676 K C 2.125 178.752 176.600 0.044 0.000 1.050 676 K CA 0.485 56.781 56.287 0.015 0.000 0.938 676 K CB -0.507 31.970 32.500 -0.040 0.000 0.718 676 K HN 0.120 nan 8.250 nan 0.000 0.442 677 L N 1.389 122.625 121.223 0.021 0.000 2.012 677 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 677 L C 2.194 179.127 176.870 0.105 0.000 1.073 677 L CA 1.429 56.304 54.840 0.057 0.000 0.748 677 L CB -0.816 41.257 42.059 0.024 0.000 0.891 677 L HN 0.074 nan 8.230 nan 0.000 0.431 678 L N -0.507 120.761 121.223 0.074 0.000 2.017 678 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 678 L C 2.551 179.519 176.870 0.165 0.000 1.073 678 L CA 1.861 56.746 54.840 0.074 0.000 0.745 678 L CB -0.792 41.329 42.059 0.103 0.000 0.894 678 L HN 0.445 nan 8.230 nan 0.000 0.432 679 Q N -1.908 117.999 119.800 0.179 0.000 2.112 679 Q HA -0.295 4.045 4.340 -0.000 0.000 0.206 679 Q C 2.189 178.302 176.000 0.188 0.000 0.987 679 Q CA 2.274 58.189 55.803 0.187 0.000 0.858 679 Q CB -0.468 28.335 28.738 0.107 0.000 0.905 679 Q HN 0.630 nan 8.270 nan 0.000 0.420 680 Y N 1.122 121.445 120.300 0.039 0.000 2.145 680 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 680 Y C 1.787 177.710 175.900 0.037 0.000 1.145 680 Y CA 1.411 59.523 58.100 0.021 0.000 1.148 680 Y CB -0.323 38.131 38.460 -0.010 0.000 0.981 680 Y HN 0.031 nan 8.280 nan 0.000 0.507 681 L N -1.380 119.804 121.223 -0.065 0.000 2.042 681 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 681 L C 2.265 179.079 176.870 -0.092 0.000 1.076 681 L CA 1.813 56.566 54.840 -0.146 0.000 0.749 681 L CB -0.997 40.965 42.059 -0.161 0.000 0.893 681 L HN 0.255 nan 8.230 nan 0.000 0.432 682 Y N 0.388 120.641 120.300 -0.077 0.000 2.224 682 Y HA -0.269 4.281 4.550 -0.000 0.000 0.289 682 Y C 3.080 178.883 175.900 -0.163 0.000 1.146 682 Y CA 1.468 59.496 58.100 -0.120 0.000 1.182 682 Y CB -0.193 38.209 38.460 -0.097 0.000 0.983 682 Y HN 0.302 nan 8.280 nan 0.000 0.524 683 S N -0.296 115.406 115.700 0.003 0.000 2.469 683 S HA -0.133 4.337 4.470 -0.000 0.000 0.238 683 S C 1.481 175.984 174.600 -0.161 0.000 0.998 683 S CA 1.119 59.273 58.200 -0.076 0.000 0.957 683 S CB -0.631 62.535 63.200 -0.057 0.000 0.764 683 S HN 0.503 nan 8.310 nan 0.000 0.514 684 L N -0.498 120.597 121.223 -0.213 0.000 2.556 684 L HA 0.359 4.699 4.340 -0.000 0.000 0.226 684 L C 0.901 177.607 176.870 -0.275 0.000 1.089 684 L CA -0.262 54.450 54.840 -0.214 0.000 0.864 684 L CB -0.164 41.768 42.059 -0.211 0.000 1.067 684 L HN 0.093 nan 8.230 nan 0.000 0.477 685 K N 1.788 121.935 120.400 -0.423 0.000 2.484 685 K HA 0.025 4.345 4.320 -0.000 0.000 0.280 685 K C -0.177 176.114 176.600 -0.515 0.000 1.013 685 K CA 0.501 56.285 56.287 -0.838 0.000 1.029 685 K CB 0.407 32.459 32.500 -0.746 0.000 0.902 685 K HN -0.071 nan 8.250 nan 0.000 0.481 686 Q N 4.481 123.950 119.800 -0.551 0.000 2.204 686 Q HA 0.285 4.625 4.340 -0.000 0.000 0.254 686 Q C -1.792 174.037 176.000 -0.284 0.000 0.981 686 Q CA -2.227 53.367 55.803 -0.349 0.000 0.897 686 Q CB 0.764 29.303 28.738 -0.332 0.000 1.273 686 Q HN 0.431 nan 8.270 nan 0.000 0.464 687 P HA -0.142 nan 4.420 nan 0.000 0.218 687 P C 0.393 177.633 177.300 -0.099 0.000 1.149 687 P CA 1.278 64.303 63.100 -0.125 0.000 0.817 687 P CB 0.240 31.888 31.700 -0.087 0.000 0.785 688 D N -1.793 118.545 120.400 -0.103 0.000 2.336 688 D HA 0.060 4.700 4.640 -0.000 0.000 0.229 688 D C 1.432 177.721 176.300 -0.018 0.000 1.061 688 D CA 0.700 54.687 54.000 -0.021 0.000 0.875 688 D CB -0.826 40.004 40.800 0.049 0.000 0.904 688 D HN 0.243 nan 8.370 nan 0.000 0.525 689 G N -0.161 108.553 108.800 -0.143 0.000 2.232 689 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.226 689 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.226 689 G C 0.497 175.229 174.900 -0.281 0.000 0.996 689 G CA 0.344 45.377 45.100 -0.111 0.000 0.626 689 G HN 0.834 nan 8.290 nan 0.000 0.509 690 S N -0.202 115.120 115.700 -0.629 0.000 2.655 690 S HA 0.820 5.290 4.470 -0.000 0.000 0.265 690 S C -0.293 173.958 174.600 -0.582 0.000 1.240 690 S CA -0.390 57.290 58.200 -0.867 0.000 0.986 690 S CB 1.428 63.636 63.200 -1.654 0.000 0.985 690 S HN 0.567 nan 8.310 nan 0.000 0.562 691 F N -0.489 119.183 119.950 -0.465 0.000 2.563 691 F HA 0.549 5.076 4.527 -0.000 0.000 0.316 691 F C 0.009 175.636 175.800 -0.288 0.000 1.076 691 F CA -1.071 56.743 58.000 -0.310 0.000 0.921 691 F CB 1.454 40.320 39.000 -0.223 0.000 1.209 691 F HN 0.459 nan 8.300 nan 0.000 0.462 692 L N 2.894 124.070 121.223 -0.079 0.000 2.439 692 L HA 0.211 4.551 4.340 -0.000 0.000 0.261 692 L C 1.220 178.025 176.870 -0.107 0.000 1.153 692 L CA -0.692 54.066 54.840 -0.137 0.000 0.808 692 L CB 0.534 42.475 42.059 -0.196 0.000 1.126 692 L HN 0.646 nan 8.230 nan 0.000 0.460 693 M N 0.113 119.632 119.600 -0.134 0.000 2.349 693 M HA 0.029 4.509 4.480 -0.000 0.000 0.266 693 M C 0.266 176.432 176.300 -0.223 0.000 1.076 693 M CA 1.136 56.339 55.300 -0.161 0.000 1.126 693 M CB -0.923 31.613 32.600 -0.108 0.000 1.392 693 M HN 0.803 nan 8.290 nan 0.000 0.440 694 H N -4.867 114.074 119.070 -0.214 0.000 2.950 694 H HA 0.437 4.992 4.556 -0.000 0.000 0.307 694 H C -0.935 174.370 175.328 -0.038 0.000 1.403 694 H CA -1.193 54.812 56.048 -0.072 0.000 1.145 694 H CB 0.452 30.205 29.762 -0.015 0.000 1.844 694 H HN -0.256 nan 8.280 nan 0.000 0.515 695 V N 1.643 121.575 119.914 0.031 0.000 2.557 695 V HA 0.230 4.350 4.120 -0.000 0.000 0.301 695 V C 1.647 177.639 176.094 -0.171 0.000 1.026 695 V CA 1.719 63.973 62.300 -0.077 0.000 1.137 695 V CB 0.151 31.958 31.823 -0.027 0.000 0.917 695 V HN 1.417 nan 8.190 nan 0.000 0.484 696 G N 3.553 112.237 108.800 -0.193 0.000 2.203 696 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.263 696 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.263 696 G C 0.497 175.235 174.900 -0.271 0.000 1.012 696 G CA 0.287 45.290 45.100 -0.162 0.000 0.749 696 G HN 1.357 nan 8.290 nan 0.000 0.512 697 G N -0.825 107.630 108.800 -0.575 0.000 2.642 697 G HA2 0.688 4.647 3.960 -0.000 0.000 0.291 697 G HA3 0.688 4.647 3.960 -0.000 0.000 0.291 697 G C 0.222 174.965 174.900 -0.261 0.000 1.345 697 G CA 0.140 44.833 45.100 -0.678 0.000 1.043 697 G HN 0.639 nan 8.290 nan 0.000 0.528 698 E N -0.930 119.208 120.200 -0.103 0.000 2.345 698 E HA 0.366 4.716 4.350 -0.000 0.000 0.259 698 E C -1.007 175.572 176.600 -0.035 0.000 1.117 698 E CA -0.405 55.982 56.400 -0.022 0.000 0.913 698 E CB 1.513 31.252 29.700 0.065 0.000 1.057 698 E HN 0.087 nan 8.360 nan 0.000 0.432 699 V N 1.918 121.820 119.914 -0.020 0.000 2.540 699 V HA 0.398 4.518 4.120 -0.000 0.000 0.302 699 V C -0.753 175.366 176.094 0.041 0.000 1.035 699 V CA -0.355 61.920 62.300 -0.042 0.000 0.873 699 V CB 1.282 33.037 31.823 -0.113 0.000 0.992 699 V HN 0.943 nan 8.190 nan 0.000 0.428 700 D N 2.341 122.785 120.400 0.074 0.000 2.671 700 D HA 0.157 4.797 4.640 -0.000 0.000 0.273 700 D C 0.223 176.691 176.300 0.281 0.000 1.264 700 D CA -0.609 53.504 54.000 0.188 0.000 0.788 700 D CB 1.703 42.532 40.800 0.048 0.000 1.324 700 D HN 0.127 nan 8.370 nan 0.000 0.424 701 V N 0.550 120.690 119.914 0.377 0.000 2.828 701 V HA -0.201 3.919 4.120 -0.000 0.000 0.260 701 V C 2.013 178.306 176.094 0.332 0.000 1.101 701 V CA 1.845 64.410 62.300 0.441 0.000 1.123 701 V CB -0.677 31.321 31.823 0.292 0.000 0.704 701 V HN 0.566 nan 8.190 nan 0.000 0.493 702 R N 0.553 121.257 120.500 0.341 0.000 2.091 702 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 702 R C 2.598 179.022 176.300 0.207 0.000 1.136 702 R CA 1.779 58.055 56.100 0.294 0.000 0.959 702 R CB -0.575 29.899 30.300 0.291 0.000 0.856 702 R HN 0.778 nan 8.270 nan 0.000 0.437 703 S N 0.635 116.420 115.700 0.141 0.000 2.382 703 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 703 S C 2.246 176.797 174.600 -0.082 0.000 1.027 703 S CA 0.981 59.197 58.200 0.027 0.000 0.991 703 S CB -0.223 62.989 63.200 0.021 0.000 0.823 703 S HN 0.370 nan 8.310 nan 0.000 0.469 704 A N 0.998 123.833 122.820 0.025 0.000 1.883 704 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 704 A C 2.124 179.688 177.584 -0.033 0.000 1.186 704 A CA 1.690 53.733 52.037 0.010 0.000 0.624 704 A CB -1.364 17.764 19.000 0.213 0.000 0.822 704 A HN 0.705 nan 8.150 nan 0.000 0.444 705 Y N 0.224 120.489 120.300 -0.058 0.000 2.163 705 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 705 Y C 2.565 178.403 175.900 -0.104 0.000 1.136 705 Y CA 1.315 59.361 58.100 -0.089 0.000 1.147 705 Y CB -0.925 37.510 38.460 -0.041 0.000 0.987 705 Y HN 0.377 nan 8.280 nan 0.000 0.509 706 C N 0.509 119.633 119.300 -0.293 0.000 2.413 706 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 706 C C 3.078 177.944 174.990 -0.208 0.000 1.248 706 C CA 1.245 60.074 59.018 -0.314 0.000 1.742 706 C CB -1.797 25.888 27.740 -0.090 0.000 2.017 706 C HN 0.739 nan 8.230 nan 0.000 0.481 707 A N 0.576 123.246 122.820 -0.249 0.000 1.858 707 A HA 0.071 4.390 4.320 -0.000 0.000 0.216 707 A C 2.392 179.956 177.584 -0.033 0.000 1.190 707 A CA 2.135 54.026 52.037 -0.244 0.000 0.617 707 A CB -1.055 17.515 19.000 -0.717 0.000 0.827 707 A HN 0.570 nan 8.150 nan 0.000 0.443 708 A N -0.828 121.905 122.820 -0.144 0.000 1.908 708 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 708 A C 2.492 179.990 177.584 -0.144 0.000 1.181 708 A CA 2.293 54.152 52.037 -0.297 0.000 0.627 708 A CB -1.017 17.677 19.000 -0.510 0.000 0.818 708 A HN 0.572 nan 8.150 nan 0.000 0.445 709 S N -0.426 115.150 115.700 -0.207 0.000 2.348 709 S HA -0.165 4.304 4.470 -0.000 0.000 0.221 709 S C 2.065 176.718 174.600 0.088 0.000 1.033 709 S CA 2.334 60.510 58.200 -0.039 0.000 1.010 709 S CB -0.796 62.307 63.200 -0.160 0.000 0.891 709 S HN 1.006 nan 8.310 nan 0.000 0.442 710 V N 0.205 120.125 119.914 0.009 0.000 2.548 710 V HA 0.201 4.321 4.120 -0.000 0.000 0.249 710 V C 2.457 178.525 176.094 -0.043 0.000 1.055 710 V CA 1.491 63.773 62.300 -0.031 0.000 1.065 710 V CB -1.526 30.285 31.823 -0.021 0.000 0.681 710 V HN 0.504 nan 8.190 nan 0.000 0.462 711 A N 1.819 124.650 122.820 0.017 0.000 1.897 711 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 711 A C 2.581 180.186 177.584 0.035 0.000 1.181 711 A CA 2.264 54.328 52.037 0.045 0.000 0.620 711 A CB -0.949 18.165 19.000 0.189 0.000 0.821 711 A HN 0.879 nan 8.150 nan 0.000 0.443 712 S N 0.094 115.830 115.700 0.060 0.000 2.383 712 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 712 S C 1.896 176.497 174.600 0.001 0.000 1.026 712 S CA 1.333 59.571 58.200 0.063 0.000 0.981 712 S CB -0.712 62.559 63.200 0.117 0.000 0.818 712 S HN 0.423 nan 8.310 nan 0.000 0.472 713 L N 1.875 123.063 121.223 -0.059 0.000 2.056 713 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 713 L C 2.923 179.622 176.870 -0.285 0.000 1.078 713 L CA 1.614 56.344 54.840 -0.183 0.000 0.749 713 L CB -1.102 40.804 42.059 -0.255 0.000 0.901 713 L HN 0.587 nan 8.230 nan 0.000 0.433 714 T N -3.818 110.466 114.554 -0.450 0.000 3.169 714 T HA 0.037 4.386 4.350 -0.000 0.000 0.250 714 T C 0.773 175.289 174.700 -0.306 0.000 1.111 714 T CA 0.083 61.675 62.100 -0.845 0.000 1.010 714 T CB -0.538 67.878 68.868 -0.752 0.000 0.984 714 T HN 0.359 nan 8.240 nan 0.000 0.537 715 N N 1.278 119.914 118.700 -0.106 0.000 2.671 715 N HA -0.182 4.557 4.740 -0.000 0.000 0.261 715 N C 0.250 175.764 175.510 0.006 0.000 1.053 715 N CA 0.950 53.999 53.050 -0.001 0.000 0.732 715 N CB -1.743 36.776 38.487 0.054 0.000 0.887 715 N HN 0.906 nan 8.380 nan 0.000 0.546 716 I N -2.534 118.039 120.570 0.005 0.000 4.225 716 I HA 0.365 4.535 4.170 -0.000 0.000 0.327 716 I C 0.088 176.227 176.117 0.037 0.000 1.422 716 I CA -0.643 60.670 61.300 0.022 0.000 1.150 716 I CB 0.149 38.148 38.000 -0.001 0.000 1.192 716 I HN 0.039 nan 8.210 nan 0.000 0.440 717 I N 4.150 124.762 120.570 0.070 0.000 2.581 717 I HA 0.058 4.228 4.170 -0.000 0.000 0.285 717 I C 0.999 177.169 176.117 0.088 0.000 1.129 717 I CA 0.407 61.773 61.300 0.111 0.000 1.397 717 I CB 0.665 38.788 38.000 0.206 0.000 1.399 717 I HN 0.372 nan 8.210 nan 0.000 0.537 718 T N 3.271 117.859 114.554 0.057 0.000 2.897 718 T HA 0.352 4.702 4.350 -0.000 0.000 0.278 718 T C -1.702 173.054 174.700 0.094 0.000 0.981 718 T CA -1.766 60.389 62.100 0.091 0.000 0.973 718 T CB 1.407 70.363 68.868 0.146 0.000 1.092 718 T HN 0.277 nan 8.240 nan 0.000 0.543 719 P HA -0.047 nan 4.420 nan 0.000 0.218 719 P C 0.895 178.250 177.300 0.091 0.000 1.148 719 P CA 1.063 64.217 63.100 0.090 0.000 0.822 719 P CB 0.039 31.783 31.700 0.074 0.000 0.784 720 D N -2.121 118.333 120.400 0.091 0.000 2.441 720 D HA 0.005 4.645 4.640 -0.000 0.000 0.210 720 D C 1.671 177.985 176.300 0.023 0.000 1.102 720 D CA -0.161 53.886 54.000 0.078 0.000 0.840 720 D CB -0.862 39.990 40.800 0.088 0.000 0.990 720 D HN -0.005 nan 8.370 nan 0.000 0.505 721 L N 0.245 121.416 121.223 -0.087 0.000 2.021 721 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 721 L C 1.034 177.617 176.870 -0.478 0.000 1.074 721 L CA 1.736 56.296 54.840 -0.468 0.000 0.760 721 L CB -0.690 40.919 42.059 -0.751 0.000 0.889 721 L HN -0.030 nan 8.230 nan 0.000 0.433 722 F N -0.793 119.196 119.950 0.065 0.000 2.819 722 F HA 0.279 4.806 4.527 -0.000 0.000 0.294 722 F C 0.700 176.544 175.800 0.073 0.000 1.166 722 F CA -0.732 57.337 58.000 0.114 0.000 1.374 722 F CB -0.163 38.899 39.000 0.104 0.000 0.956 722 F HN -0.048 nan 8.300 nan 0.000 0.509 723 E N 0.422 120.699 120.200 0.129 0.000 2.366 723 E HA 0.357 4.707 4.350 -0.000 0.000 0.266 723 E C 1.149 177.799 176.600 0.083 0.000 1.015 723 E CA 0.842 57.300 56.400 0.096 0.000 0.906 723 E CB 0.645 30.375 29.700 0.049 0.000 0.979 723 E HN 0.474 nan 8.360 nan 0.000 0.443 724 G N 3.101 111.964 108.800 0.103 0.000 2.234 724 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 724 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 724 G C 1.312 176.317 174.900 0.175 0.000 0.987 724 G CA 0.777 45.943 45.100 0.108 0.000 0.625 724 G HN 0.590 nan 8.290 nan 0.000 0.532 725 T N 0.971 115.656 114.554 0.218 0.000 2.746 725 T HA 0.150 4.499 4.350 -0.000 0.000 0.267 725 T C 2.782 177.650 174.700 0.280 0.000 1.039 725 T CA 2.413 64.698 62.100 0.309 0.000 1.142 725 T CB -0.424 68.720 68.868 0.459 0.000 0.866 725 T HN 1.190 nan 8.240 nan 0.000 0.444 726 A N 1.452 124.383 122.820 0.186 0.000 1.933 726 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 726 A C 2.225 179.874 177.584 0.108 0.000 1.175 726 A CA 1.627 53.735 52.037 0.118 0.000 0.628 726 A CB -0.486 18.558 19.000 0.074 0.000 0.814 726 A HN 0.400 nan 8.150 nan 0.000 0.444 727 E N -1.328 118.945 120.200 0.122 0.000 2.072 727 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 727 E C 1.562 178.218 176.600 0.093 0.000 0.985 727 E CA 1.228 57.681 56.400 0.087 0.000 0.801 727 E CB -0.398 29.355 29.700 0.088 0.000 0.750 727 E HN 0.818 nan 8.360 nan 0.000 0.452 728 W N 1.067 122.376 121.300 0.015 0.000 2.335 728 W HA -0.152 4.508 4.660 -0.000 0.000 0.311 728 W C 1.792 178.310 176.519 -0.002 0.000 1.213 728 W CA 1.643 58.992 57.345 0.008 0.000 1.274 728 W CB -0.312 29.162 29.460 0.023 0.000 1.148 728 W HN -0.009 nan 8.180 nan 0.000 0.498 729 I N 0.710 121.385 120.570 0.174 0.000 2.163 729 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 729 I C 2.585 178.586 176.117 -0.193 0.000 1.085 729 I CA 1.674 62.962 61.300 -0.019 0.000 1.347 729 I CB -1.156 36.910 38.000 0.110 0.000 1.044 729 I HN 0.110 nan 8.210 nan 0.000 0.408 730 A N 0.632 123.384 122.820 -0.114 0.000 1.978 730 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 730 A C 2.333 179.801 177.584 -0.193 0.000 1.170 730 A CA 1.380 53.341 52.037 -0.126 0.000 0.636 730 A CB -0.573 18.387 19.000 -0.066 0.000 0.810 730 A HN 0.353 nan 8.150 nan 0.000 0.448 731 R N -1.026 119.312 120.500 -0.270 0.000 2.237 731 R HA -0.090 4.250 4.340 -0.000 0.000 0.219 731 R C 1.714 177.791 176.300 -0.371 0.000 1.080 731 R CA 1.231 57.149 56.100 -0.304 0.000 0.995 731 R CB -0.587 29.500 30.300 -0.356 0.000 0.875 731 R HN 0.623 nan 8.270 nan 0.000 0.462 732 C N 0.468 119.485 119.300 -0.471 0.000 2.481 732 C HA 0.005 4.464 4.460 -0.000 0.000 0.275 732 C C 1.420 176.219 174.990 -0.318 0.000 1.419 732 C CA -0.358 58.395 59.018 -0.442 0.000 1.773 732 C CB -0.849 26.580 27.740 -0.519 0.000 1.862 732 C HN 0.449 nan 8.230 nan 0.000 0.530 733 Q N 2.706 122.343 119.800 -0.272 0.000 2.313 733 Q HA 0.160 4.500 4.340 -0.000 0.000 0.266 733 Q C 0.169 176.030 176.000 -0.232 0.000 0.989 733 Q CA 0.310 55.957 55.803 -0.260 0.000 0.890 733 Q CB 0.571 29.188 28.738 -0.203 0.000 1.200 733 Q HN 0.706 nan 8.270 nan 0.000 0.396 734 N N 3.495 122.021 118.700 -0.291 0.000 2.906 734 N HA 0.136 4.876 4.740 -0.000 0.000 0.327 734 N C 0.761 176.154 175.510 -0.194 0.000 1.344 734 N CA -0.605 52.316 53.050 -0.215 0.000 0.823 734 N CB -0.428 37.896 38.487 -0.271 0.000 1.351 734 N HN 0.884 nan 8.380 nan 0.000 0.604 735 W N -0.601 120.641 121.300 -0.096 0.000 2.424 735 W HA -0.024 4.636 4.660 -0.000 0.000 0.264 735 W C 0.388 176.879 176.519 -0.046 0.000 1.229 735 W CA 0.748 58.058 57.345 -0.059 0.000 1.208 735 W CB -0.900 28.539 29.460 -0.036 0.000 1.127 735 W HN 0.577 nan 8.180 nan 0.000 0.588 736 E N 0.142 119.852 120.200 -0.818 0.000 2.299 736 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 736 E C 2.120 178.507 176.600 -0.354 0.000 0.998 736 E CA 0.876 56.842 56.400 -0.723 0.000 0.851 736 E CB -0.287 28.786 29.700 -1.045 0.000 0.795 736 E HN 0.418 nan 8.360 nan 0.000 0.492 737 G N 0.645 109.220 108.800 -0.374 0.000 2.279 737 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.223 737 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.223 737 G C 0.599 175.235 174.900 -0.440 0.000 1.015 737 G CA -0.199 44.764 45.100 -0.228 0.000 0.621 737 G HN 0.521 nan 8.290 nan 0.000 0.506 738 G N -0.363 107.805 108.800 -1.053 0.000 2.535 738 G HA2 0.631 4.591 3.960 -0.000 0.000 0.282 738 G HA3 0.631 4.591 3.960 -0.000 0.000 0.282 738 G C -0.174 174.219 174.900 -0.844 0.000 1.350 738 G CA -0.462 43.761 45.100 -1.460 0.000 1.039 738 G HN 0.684 nan 8.290 nan 0.000 0.509 739 I N -0.013 120.144 120.570 -0.689 0.000 2.474 739 I HA 0.491 4.661 4.170 -0.000 0.000 0.294 739 I C 0.738 176.687 176.117 -0.279 0.000 1.005 739 I CA -0.741 60.326 61.300 -0.389 0.000 1.113 739 I CB 2.155 40.009 38.000 -0.243 0.000 1.289 739 I HN 0.587 nan 8.210 nan 0.000 0.436 740 G N 2.387 111.030 108.800 -0.263 0.000 2.491 740 G HA2 0.448 4.408 3.960 -0.000 0.000 0.327 740 G HA3 0.448 4.408 3.960 -0.000 0.000 0.327 740 G C 0.853 175.519 174.900 -0.389 0.000 1.189 740 G CA -0.192 44.777 45.100 -0.218 0.000 0.956 740 G HN 0.787 nan 8.290 nan 0.000 0.491 741 G N -1.147 107.207 108.800 -0.743 0.000 2.476 741 G HA2 0.159 4.119 3.960 -0.000 0.000 0.218 741 G HA3 0.159 4.119 3.960 -0.000 0.000 0.218 741 G C 0.736 175.355 174.900 -0.468 0.000 1.164 741 G CA 2.044 46.391 45.100 -1.256 0.000 0.768 741 G HN 1.520 nan 8.290 nan 0.000 0.560 742 V N -4.610 115.118 119.914 -0.311 0.000 3.130 742 V HA 0.680 4.800 4.120 -0.000 0.000 0.310 742 V C -2.980 172.954 176.094 -0.267 0.000 1.158 742 V CA -3.037 59.153 62.300 -0.183 0.000 1.029 742 V CB 1.734 33.567 31.823 0.016 0.000 1.057 742 V HN -0.107 nan 8.190 nan 0.000 0.436 743 P HA 0.334 nan 4.420 nan 0.000 0.262 743 P C 0.957 178.175 177.300 -0.137 0.000 1.182 743 P CA 2.169 65.110 63.100 -0.264 0.000 0.761 743 P CB 0.586 32.135 31.700 -0.253 0.000 0.795 744 G N 1.958 110.693 108.800 -0.108 0.000 2.234 744 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.235 744 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.235 744 G C 0.196 175.089 174.900 -0.013 0.000 0.997 744 G CA -0.435 44.644 45.100 -0.035 0.000 0.623 744 G HN 0.400 nan 8.290 nan 0.000 0.514 745 M N 1.382 120.942 119.600 -0.065 0.000 2.288 745 M HA 0.399 4.879 4.480 -0.000 0.000 0.334 745 M C 0.764 177.032 176.300 -0.053 0.000 1.150 745 M CA -0.834 54.439 55.300 -0.044 0.000 1.118 745 M CB 0.961 33.510 32.600 -0.085 0.000 1.501 745 M HN 0.421 nan 8.290 nan 0.000 0.462 746 E N 1.283 121.488 120.200 0.008 0.000 2.508 746 E HA 0.173 4.523 4.350 -0.000 0.000 0.266 746 E C -0.656 175.895 176.600 -0.082 0.000 1.010 746 E CA -0.240 56.153 56.400 -0.012 0.000 0.955 746 E CB 0.692 30.442 29.700 0.083 0.000 0.946 746 E HN 0.698 nan 8.360 nan 0.000 0.454 747 A N 4.615 127.294 122.820 -0.234 0.000 2.440 747 A HA 0.148 4.468 4.320 -0.000 0.000 0.251 747 A C -0.527 177.055 177.584 -0.003 0.000 1.089 747 A CA -0.054 51.754 52.037 -0.382 0.000 0.779 747 A CB 0.445 18.838 19.000 -1.012 0.000 1.022 747 A HN 0.704 nan 8.150 nan 0.000 0.492 748 H N 1.478 120.519 119.070 -0.048 0.000 2.856 748 H HA 0.355 4.911 4.556 -0.000 0.000 0.355 748 H C 1.181 176.621 175.328 0.186 0.000 1.079 748 H CA 0.161 56.302 56.048 0.155 0.000 1.240 748 H CB 1.764 31.619 29.762 0.154 0.000 1.701 748 H HN 0.701 nan 8.280 nan 0.000 0.527 749 G N 2.480 111.319 108.800 0.065 0.000 2.469 749 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 749 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 749 G C 1.487 176.519 174.900 0.220 0.000 1.136 749 G CA 0.908 46.111 45.100 0.171 0.000 0.759 749 G HN 0.664 nan 8.290 nan 0.000 0.562 750 G N -0.144 108.797 108.800 0.236 0.000 2.404 750 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.215 750 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.215 750 G C 1.604 176.359 174.900 -0.241 0.000 1.174 750 G CA 0.846 45.753 45.100 -0.321 0.000 0.780 750 G HN 0.520 nan 8.290 nan 0.000 0.537 751 Y N 0.799 121.105 120.300 0.009 0.000 2.314 751 Y HA -0.035 4.515 4.550 -0.000 0.000 0.293 751 Y C 3.306 179.186 175.900 -0.032 0.000 1.129 751 Y CA 1.138 59.221 58.100 -0.028 0.000 1.201 751 Y CB -0.123 38.312 38.460 -0.042 0.000 0.999 751 Y HN 0.110 nan 8.280 nan 0.000 0.541 752 T N 0.450 115.084 114.554 0.134 0.000 2.777 752 T HA -0.206 4.143 4.350 -0.000 0.000 0.266 752 T C 1.552 176.265 174.700 0.021 0.000 1.040 752 T CA 1.344 63.458 62.100 0.023 0.000 1.141 752 T CB -0.593 68.286 68.868 0.018 0.000 0.868 752 T HN 0.342 nan 8.240 nan 0.000 0.444 753 F N 1.441 121.382 119.950 -0.015 0.000 2.102 753 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 753 F C 2.445 178.133 175.800 -0.187 0.000 1.105 753 F CA 0.783 58.746 58.000 -0.061 0.000 1.239 753 F CB -0.758 38.291 39.000 0.081 0.000 0.991 753 F HN 0.146 nan 8.300 nan 0.000 0.474 754 C N 0.850 120.073 119.300 -0.129 0.000 2.413 754 C HA -0.134 4.326 4.460 -0.000 0.000 0.276 754 C C 3.108 177.993 174.990 -0.175 0.000 1.236 754 C CA 1.348 60.204 59.018 -0.270 0.000 1.735 754 C CB -1.938 25.834 27.740 0.054 0.000 2.031 754 C HN 0.745 nan 8.230 nan 0.000 0.474 755 G N 0.087 108.841 108.800 -0.077 0.000 2.433 755 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 755 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 755 G C 1.499 176.325 174.900 -0.124 0.000 1.186 755 G CA 1.090 46.157 45.100 -0.054 0.000 0.779 755 G HN 0.441 nan 8.290 nan 0.000 0.543 756 L N 1.465 122.571 121.223 -0.194 0.000 2.017 756 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 756 L C 3.089 179.801 176.870 -0.262 0.000 1.073 756 L CA 2.225 56.944 54.840 -0.202 0.000 0.745 756 L CB -0.882 41.060 42.059 -0.195 0.000 0.894 756 L HN 0.252 nan 8.230 nan 0.000 0.432 757 A N -0.522 122.010 122.820 -0.481 0.000 1.940 757 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 757 A C 2.442 179.935 177.584 -0.152 0.000 1.176 757 A CA 1.952 53.720 52.037 -0.448 0.000 0.631 757 A CB -1.162 17.285 19.000 -0.922 0.000 0.814 757 A HN 0.592 nan 8.150 nan 0.000 0.446 758 A N -0.357 122.426 122.820 -0.062 0.000 1.898 758 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 758 A C 2.155 179.680 177.584 -0.099 0.000 1.181 758 A CA 1.405 53.431 52.037 -0.019 0.000 0.620 758 A CB -0.583 18.438 19.000 0.035 0.000 0.819 758 A HN 0.463 nan 8.150 nan 0.000 0.442 759 L N -0.438 120.736 121.223 -0.081 0.000 2.131 759 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 759 L C 2.487 179.318 176.870 -0.065 0.000 1.092 759 L CA 0.906 55.706 54.840 -0.066 0.000 0.759 759 L CB -0.445 41.584 42.059 -0.050 0.000 0.903 759 L HN 0.256 nan 8.230 nan 0.000 0.435 760 V N 0.087 119.956 119.914 -0.075 0.000 2.358 760 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 760 V C 2.280 178.350 176.094 -0.039 0.000 1.047 760 V CA 1.665 63.938 62.300 -0.046 0.000 1.035 760 V CB -0.226 31.567 31.823 -0.050 0.000 0.658 760 V HN 0.324 nan 8.190 nan 0.000 0.452 761 I N -0.374 120.149 120.570 -0.078 0.000 2.226 761 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 761 I C 2.003 178.065 176.117 -0.092 0.000 1.100 761 I CA 1.581 62.832 61.300 -0.082 0.000 1.374 761 I CB -0.185 37.725 38.000 -0.150 0.000 1.057 761 I HN 0.258 nan 8.210 nan 0.000 0.413 762 L N 0.378 121.522 121.223 -0.132 0.000 2.599 762 L HA 0.013 4.353 4.340 -0.000 0.000 0.230 762 L C 0.410 177.260 176.870 -0.034 0.000 1.141 762 L CA 0.252 55.025 54.840 -0.112 0.000 0.877 762 L CB -0.386 41.584 42.059 -0.148 0.000 1.009 762 L HN 0.219 nan 8.230 nan 0.000 0.447 763 K N 0.292 120.679 120.400 -0.021 0.000 3.125 763 K HA -0.166 4.154 4.320 -0.000 0.000 0.268 763 K C 0.010 176.614 176.600 0.007 0.000 1.078 763 K CA 0.321 56.611 56.287 0.005 0.000 0.775 763 K CB -1.054 31.459 32.500 0.021 0.000 1.253 763 K HN 0.157 nan 8.250 nan 0.000 0.486 764 K N 0.121 120.519 120.400 -0.004 0.000 2.619 764 K HA 0.060 4.380 4.320 -0.000 0.000 0.201 764 K C 0.313 176.910 176.600 -0.004 0.000 1.090 764 K CA 0.010 56.299 56.287 0.003 0.000 1.063 764 K CB 0.907 33.411 32.500 0.008 0.000 0.810 764 K HN 0.197 nan 8.250 nan 0.000 0.506 765 E N 0.866 121.061 120.200 -0.008 0.000 2.171 765 E HA -0.145 4.204 4.350 -0.000 0.000 0.197 765 E C 1.470 178.066 176.600 -0.007 0.000 0.997 765 E CA 1.141 57.533 56.400 -0.013 0.000 0.810 765 E CB -0.138 29.558 29.700 -0.006 0.000 0.738 765 E HN 0.190 nan 8.360 nan 0.000 0.467 766 R N 0.431 120.932 120.500 0.002 0.000 2.285 766 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 766 R C 1.804 178.104 176.300 -0.001 0.000 1.068 766 R CA 0.926 57.028 56.100 0.004 0.000 1.004 766 R CB -0.134 30.172 30.300 0.010 0.000 0.873 766 R HN 0.093 nan 8.270 nan 0.000 0.467 767 S N 0.780 116.478 115.700 -0.004 0.000 2.474 767 S HA 0.004 4.474 4.470 -0.000 0.000 0.235 767 S C 0.944 175.531 174.600 -0.021 0.000 0.997 767 S CA 0.663 58.858 58.200 -0.007 0.000 0.949 767 S CB -0.018 63.180 63.200 -0.003 0.000 0.766 767 S HN 0.162 nan 8.310 nan 0.000 0.517 768 L N 1.580 122.787 121.223 -0.026 0.000 2.387 768 L HA 0.402 4.742 4.340 -0.000 0.000 0.266 768 L C 0.541 177.396 176.870 -0.025 0.000 1.059 768 L CA -0.814 54.003 54.840 -0.039 0.000 0.801 768 L CB 0.300 42.329 42.059 -0.050 0.000 1.223 768 L HN -0.022 nan 8.230 nan 0.000 0.456 769 N N 1.456 120.138 118.700 -0.030 0.000 2.663 769 N HA 0.156 4.896 4.740 -0.000 0.000 0.250 769 N C 0.709 176.216 175.510 -0.005 0.000 1.129 769 N CA 0.047 53.089 53.050 -0.013 0.000 0.995 769 N CB 0.473 38.951 38.487 -0.015 0.000 1.324 769 N HN 0.588 nan 8.380 nan 0.000 0.512 770 L N 1.631 122.857 121.223 0.006 0.000 2.127 770 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 770 L C 2.259 179.153 176.870 0.041 0.000 1.089 770 L CA 1.092 55.945 54.840 0.021 0.000 0.757 770 L CB -0.293 41.781 42.059 0.025 0.000 0.899 770 L HN 0.406 nan 8.230 nan 0.000 0.434 771 K N 0.973 121.395 120.400 0.038 0.000 2.002 771 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 771 K C 2.265 178.903 176.600 0.063 0.000 1.048 771 K CA 2.086 58.403 56.287 0.051 0.000 0.930 771 K CB -0.449 32.076 32.500 0.041 0.000 0.714 771 K HN 0.306 nan 8.250 nan 0.000 0.438 772 S N 0.494 116.224 115.700 0.049 0.000 2.402 772 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 772 S C 1.911 176.564 174.600 0.089 0.000 1.021 772 S CA 1.004 59.240 58.200 0.059 0.000 0.974 772 S CB -0.595 62.620 63.200 0.026 0.000 0.800 772 S HN 0.318 nan 8.310 nan 0.000 0.484 773 L N 1.372 122.635 121.223 0.065 0.000 2.027 773 L HA 0.166 4.506 4.340 -0.000 0.000 0.206 773 L C 2.256 179.244 176.870 0.196 0.000 1.074 773 L CA 1.634 56.536 54.840 0.103 0.000 0.745 773 L CB -1.274 40.808 42.059 0.038 0.000 0.898 773 L HN 0.408 nan 8.230 nan 0.000 0.433 774 L N -0.168 121.139 121.223 0.141 0.000 2.042 774 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 774 L C 2.609 179.571 176.870 0.152 0.000 1.076 774 L CA 2.342 57.270 54.840 0.147 0.000 0.749 774 L CB -0.829 41.304 42.059 0.123 0.000 0.893 774 L HN 0.627 nan 8.230 nan 0.000 0.432 775 Q N -1.898 117.988 119.800 0.143 0.000 2.167 775 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 775 Q C 2.072 178.154 176.000 0.138 0.000 0.970 775 Q CA 1.955 57.832 55.803 0.124 0.000 0.855 775 Q CB -0.486 28.318 28.738 0.109 0.000 0.911 775 Q HN 0.673 nan 8.270 nan 0.000 0.438 776 W N -0.350 120.948 121.300 -0.003 0.000 2.408 776 W HA -0.155 4.505 4.660 -0.000 0.000 0.311 776 W C 1.969 178.485 176.519 -0.005 0.000 1.190 776 W CA 1.482 58.808 57.345 -0.031 0.000 1.321 776 W CB -0.594 28.820 29.460 -0.078 0.000 1.143 776 W HN 0.043 nan 8.180 nan 0.000 0.501 777 V N 1.404 121.355 119.914 0.060 0.000 2.343 777 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 777 V C 2.454 178.506 176.094 -0.071 0.000 1.051 777 V CA 3.282 65.479 62.300 -0.172 0.000 1.036 777 V CB -1.168 30.718 31.823 0.106 0.000 0.654 777 V HN 0.460 nan 8.190 nan 0.000 0.451 778 T N -2.834 111.746 114.554 0.043 0.000 2.881 778 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 778 T C 1.821 176.494 174.700 -0.044 0.000 1.068 778 T CA 1.765 63.918 62.100 0.088 0.000 1.131 778 T CB -0.573 68.364 68.868 0.116 0.000 0.871 778 T HN 0.464 nan 8.240 nan 0.000 0.479 779 S N 0.813 116.433 115.700 -0.133 0.000 2.561 779 S HA 0.133 4.603 4.470 -0.000 0.000 0.225 779 S C 1.918 176.343 174.600 -0.291 0.000 0.977 779 S CA -0.077 58.013 58.200 -0.183 0.000 0.926 779 S CB -0.144 62.956 63.200 -0.166 0.000 0.769 779 S HN 0.398 nan 8.310 nan 0.000 0.533 780 R N 1.239 121.519 120.500 -0.367 0.000 2.275 780 R HA 0.155 4.495 4.340 -0.000 0.000 0.199 780 R C 0.906 176.969 176.300 -0.394 0.000 0.989 780 R CA 0.103 55.977 56.100 -0.376 0.000 1.016 780 R CB -0.330 29.702 30.300 -0.447 0.000 0.918 780 R HN 0.504 nan 8.270 nan 0.000 0.473 781 Q N 1.118 120.521 119.800 -0.663 0.000 2.304 781 Q HA 0.125 4.465 4.340 -0.000 0.000 0.260 781 Q C -0.499 175.207 176.000 -0.491 0.000 0.965 781 Q CA -0.187 54.956 55.803 -1.099 0.000 0.898 781 Q CB 0.726 28.754 28.738 -1.183 0.000 1.196 781 Q HN -0.144 nan 8.270 nan 0.000 0.402 782 M N 4.459 123.824 119.600 -0.391 0.000 2.188 782 M HA 0.099 4.578 4.480 -0.000 0.000 0.354 782 M C 1.121 177.363 176.300 -0.097 0.000 1.342 782 M CA 0.389 55.577 55.300 -0.186 0.000 1.117 782 M CB 0.539 33.055 32.600 -0.139 0.000 1.670 782 M HN 0.731 nan 8.290 nan 0.000 0.466 783 R N 1.561 122.043 120.500 -0.031 0.000 2.105 783 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 783 R C 1.468 177.819 176.300 0.084 0.000 1.135 783 R CA 1.622 57.739 56.100 0.028 0.000 0.967 783 R CB -0.480 29.833 30.300 0.021 0.000 0.861 783 R HN 0.544 nan 8.270 nan 0.000 0.442 784 F N 1.967 121.897 119.950 -0.034 0.000 2.148 784 F HA 0.111 4.638 4.527 -0.000 0.000 0.285 784 F C 1.863 177.857 175.800 0.324 0.000 1.092 784 F CA 1.229 59.239 58.000 0.016 0.000 1.218 784 F CB -0.086 38.909 39.000 -0.008 0.000 1.059 784 F HN -0.109 nan 8.300 nan 0.000 0.490 785 E N 0.225 120.483 120.200 0.096 0.000 2.118 785 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 785 E C 1.881 178.510 176.600 0.048 0.000 0.992 785 E CA 1.559 57.969 56.400 0.017 0.000 0.804 785 E CB -0.704 28.922 29.700 -0.123 0.000 0.741 785 E HN 0.654 nan 8.360 nan 0.000 0.458 786 G N -0.501 108.273 108.800 -0.043 0.000 2.258 786 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.233 786 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.233 786 G C 0.643 175.471 174.900 -0.119 0.000 1.006 786 G CA 0.031 45.117 45.100 -0.022 0.000 0.620 786 G HN 0.651 nan 8.290 nan 0.000 0.511 787 G N -0.638 107.922 108.800 -0.401 0.000 2.510 787 G HA2 0.622 4.582 3.960 -0.000 0.000 0.280 787 G HA3 0.622 4.582 3.960 -0.000 0.000 0.280 787 G C -0.505 174.248 174.900 -0.245 0.000 1.386 787 G CA -0.709 44.196 45.100 -0.327 0.000 1.047 787 G HN 0.294 nan 8.290 nan 0.000 0.527 788 F N -0.643 119.235 119.950 -0.120 0.000 2.507 788 F HA 0.428 4.955 4.527 -0.000 0.000 0.327 788 F C 0.675 176.462 175.800 -0.022 0.000 1.068 788 F CA -0.687 57.257 58.000 -0.093 0.000 0.965 788 F CB 2.138 41.086 39.000 -0.088 0.000 1.192 788 F HN 0.530 nan 8.300 nan 0.000 0.476 789 Q N 0.292 120.113 119.800 0.035 0.000 2.204 789 Q HA 0.615 4.955 4.340 -0.000 0.000 0.254 789 Q C 0.402 176.125 176.000 -0.461 0.000 0.981 789 Q CA -0.623 55.145 55.803 -0.060 0.000 0.897 789 Q CB 1.725 30.395 28.738 -0.113 0.000 1.273 789 Q HN 0.812 nan 8.270 nan 0.000 0.464 790 G N 0.791 109.097 108.800 -0.824 0.000 2.539 790 G HA2 0.059 4.019 3.960 -0.000 0.000 0.215 790 G HA3 0.059 4.019 3.960 -0.000 0.000 0.215 790 G C 0.142 174.532 174.900 -0.850 0.000 1.141 790 G CA 0.022 44.191 45.100 -1.551 0.000 0.806 790 G HN 0.660 nan 8.290 nan 0.000 0.533 791 R N -2.080 118.176 120.500 -0.407 0.000 2.716 791 R HA 0.444 4.784 4.340 -0.000 0.000 0.271 791 R C -1.218 175.033 176.300 -0.081 0.000 1.028 791 R CA -0.934 55.095 56.100 -0.118 0.000 0.883 791 R CB 0.180 30.487 30.300 0.011 0.000 1.250 791 R HN -0.037 nan 8.270 nan 0.000 0.465 792 C N 2.335 121.634 119.300 -0.001 0.000 2.596 792 C HA 0.064 4.524 4.460 -0.000 0.000 0.414 792 C C 0.702 175.703 174.990 0.017 0.000 1.396 792 C CA 1.025 60.035 59.018 -0.013 0.000 1.698 792 C CB -1.329 26.441 27.740 0.049 0.000 2.572 792 C HN 0.982 nan 8.230 nan 0.000 0.604 793 N N 2.466 121.166 118.700 -0.001 0.000 2.782 793 N HA -0.133 4.607 4.740 -0.000 0.000 0.251 793 N C -0.348 175.176 175.510 0.024 0.000 1.101 793 N CA 1.307 54.368 53.050 0.017 0.000 0.764 793 N CB -0.660 37.852 38.487 0.042 0.000 1.122 793 N HN 0.793 nan 8.380 nan 0.000 0.561 794 K N -0.138 120.269 120.400 0.012 0.000 2.307 794 K HA 0.572 4.892 4.320 -0.000 0.000 0.239 794 K C 0.560 177.180 176.600 0.034 0.000 1.083 794 K CA -0.783 55.526 56.287 0.036 0.000 0.913 794 K CB 1.006 33.538 32.500 0.054 0.000 1.322 794 K HN -0.068 nan 8.250 nan 0.000 0.514 795 L N 1.007 122.272 121.223 0.071 0.000 2.379 795 L HA 0.303 4.643 4.340 -0.000 0.000 0.269 795 L C 0.542 177.477 176.870 0.108 0.000 1.084 795 L CA -0.863 54.023 54.840 0.076 0.000 0.802 795 L CB 1.144 43.254 42.059 0.086 0.000 1.175 795 L HN 0.254 nan 8.230 nan 0.000 0.448 796 V N 1.421 121.374 119.914 0.065 0.000 2.999 796 V HA 0.098 4.218 4.120 -0.000 0.000 0.307 796 V C -0.477 175.719 176.094 0.171 0.000 1.084 796 V CA 0.573 62.903 62.300 0.050 0.000 1.155 796 V CB 1.315 33.050 31.823 -0.147 0.000 0.975 796 V HN 0.921 nan 8.190 nan 0.000 0.490 797 D N 2.766 123.320 120.400 0.257 0.000 2.871 797 D HA 0.319 4.958 4.640 -0.000 0.000 0.209 797 D C 0.678 177.144 176.300 0.275 0.000 1.292 797 D CA 0.178 54.334 54.000 0.260 0.000 0.869 797 D CB 1.548 42.458 40.800 0.182 0.000 1.663 797 D HN 0.605 nan 8.370 nan 0.000 0.557 798 G N 1.708 110.707 108.800 0.332 0.000 2.475 798 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 798 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 798 G C 1.739 176.715 174.900 0.127 0.000 1.125 798 G CA 1.408 46.687 45.100 0.299 0.000 0.755 798 G HN 0.775 nan 8.290 nan 0.000 0.565 799 C N -1.489 117.815 119.300 0.006 0.000 2.432 799 C HA 0.141 4.601 4.460 -0.000 0.000 0.282 799 C C 2.324 177.209 174.990 -0.175 0.000 1.388 799 C CA 0.153 59.021 59.018 -0.250 0.000 1.777 799 C CB -1.635 25.802 27.740 -0.506 0.000 1.882 799 C HN 0.474 nan 8.230 nan 0.000 0.520 800 Y N 1.850 122.239 120.300 0.147 0.000 2.616 800 Y HA -0.039 4.511 4.550 -0.000 0.000 0.296 800 Y C 2.723 178.552 175.900 -0.119 0.000 1.154 800 Y CA 0.527 58.685 58.100 0.098 0.000 1.325 800 Y CB -0.266 38.273 38.460 0.131 0.000 1.007 800 Y HN 0.313 nan 8.280 nan 0.000 0.542 801 S N 0.025 115.763 115.700 0.063 0.000 2.440 801 S HA -0.186 4.283 4.470 -0.000 0.000 0.238 801 S C 1.456 175.943 174.600 -0.187 0.000 1.010 801 S CA 1.340 59.525 58.200 -0.025 0.000 0.972 801 S CB -0.291 62.969 63.200 0.100 0.000 0.774 801 S HN 0.558 nan 8.310 nan 0.000 0.501 802 F N -0.039 119.717 119.950 -0.323 0.000 2.390 802 F HA 0.230 4.757 4.527 -0.000 0.000 0.281 802 F C 1.490 177.033 175.800 -0.427 0.000 1.016 802 F CA -0.151 57.596 58.000 -0.421 0.000 1.286 802 F CB -0.661 38.041 39.000 -0.496 0.000 1.134 802 F HN 0.137 nan 8.300 nan 0.000 0.597 803 W N 1.206 122.313 121.300 -0.321 0.000 2.321 803 W HA -0.228 4.432 4.660 -0.000 0.000 0.306 803 W C 2.339 178.678 176.519 -0.301 0.000 1.217 803 W CA 1.119 58.252 57.345 -0.353 0.000 1.257 803 W CB -0.449 29.017 29.460 0.010 0.000 1.145 803 W HN 0.107 nan 8.180 nan 0.000 0.509 804 Q N -0.204 119.488 119.800 -0.179 0.000 2.063 804 Q HA 0.041 4.381 4.340 -0.000 0.000 0.194 804 Q C 2.488 178.035 176.000 -0.754 0.000 0.974 804 Q CA 1.419 56.968 55.803 -0.424 0.000 0.827 804 Q CB -1.363 27.033 28.738 -0.570 0.000 0.902 804 Q HN 0.268 nan 8.270 nan 0.000 0.462 805 A N 1.146 123.213 122.820 -1.255 0.000 2.024 805 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 805 A C 2.196 179.340 177.584 -0.734 0.000 1.164 805 A CA 1.724 52.997 52.037 -1.274 0.000 0.643 805 A CB -1.010 17.079 19.000 -1.519 0.000 0.806 805 A HN 0.455 nan 8.150 nan 0.000 0.451 806 G N -0.564 107.826 108.800 -0.684 0.000 2.509 806 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.218 806 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.218 806 G C 1.405 176.136 174.900 -0.282 0.000 1.124 806 G CA 0.817 45.561 45.100 -0.593 0.000 0.776 806 G HN 0.465 nan 8.290 nan 0.000 0.547 807 L N -0.302 120.791 121.223 -0.216 0.000 2.109 807 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 807 L C 2.786 179.603 176.870 -0.089 0.000 1.086 807 L CA 0.325 55.108 54.840 -0.096 0.000 0.760 807 L CB -0.255 41.789 42.059 -0.025 0.000 0.910 807 L HN 0.182 nan 8.230 nan 0.000 0.437 808 L N -0.241 120.918 121.223 -0.107 0.000 2.042 808 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 808 L C -0.271 176.564 176.870 -0.058 0.000 1.076 808 L CA 1.533 56.395 54.840 0.036 0.000 0.749 808 L CB -1.632 40.576 42.059 0.249 0.000 0.893 808 L HN 0.226 nan 8.230 nan 0.000 0.432 809 P HA -0.135 nan 4.420 nan 0.000 0.219 809 P C 1.848 179.074 177.300 -0.125 0.000 1.150 809 P CA 1.186 63.866 63.100 -0.699 0.000 0.814 809 P CB 0.120 31.221 31.700 -0.999 0.000 0.787 810 L N -1.644 119.523 121.223 -0.095 0.000 2.072 810 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 810 L C 2.340 179.237 176.870 0.046 0.000 1.079 810 L CA 1.190 56.016 54.840 -0.025 0.000 0.752 810 L CB -0.840 41.169 42.059 -0.083 0.000 0.906 810 L HN -0.029 nan 8.230 nan 0.000 0.436 811 L N -1.094 120.174 121.223 0.075 0.000 2.156 811 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 811 L C 2.585 179.562 176.870 0.177 0.000 1.095 811 L CA 0.975 55.883 54.840 0.113 0.000 0.770 811 L CB -0.521 41.615 42.059 0.128 0.000 0.914 811 L HN 0.297 nan 8.230 nan 0.000 0.439 812 H N 0.171 119.354 119.070 0.189 0.000 2.321 812 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 812 H C 2.472 177.929 175.328 0.215 0.000 1.087 812 H CA 1.850 58.065 56.048 0.279 0.000 1.319 812 H CB 0.148 30.207 29.762 0.495 0.000 1.379 812 H HN 0.059 nan 8.280 nan 0.000 0.501 813 R N -0.039 120.628 120.500 0.278 0.000 2.115 813 R HA -0.064 4.275 4.340 -0.000 0.000 0.230 813 R C 2.169 178.549 176.300 0.132 0.000 1.111 813 R CA 1.048 57.251 56.100 0.172 0.000 0.976 813 R CB -0.226 30.145 30.300 0.119 0.000 0.870 813 R HN 0.407 nan 8.270 nan 0.000 0.445 814 A N 0.944 123.827 122.820 0.104 0.000 1.898 814 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 814 A C 2.133 179.759 177.584 0.070 0.000 1.183 814 A CA 0.732 52.814 52.037 0.075 0.000 0.622 814 A CB -0.330 18.700 19.000 0.050 0.000 0.824 814 A HN 0.306 nan 8.150 nan 0.000 0.444 815 L N -1.182 120.078 121.223 0.062 0.000 2.109 815 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 815 L C 2.689 179.579 176.870 0.034 0.000 1.086 815 L CA 1.422 56.283 54.840 0.035 0.000 0.760 815 L CB -0.675 41.395 42.059 0.019 0.000 0.910 815 L HN 0.601 nan 8.230 nan 0.000 0.437 816 H N 0.729 119.757 119.070 -0.069 0.000 2.457 816 H HA -0.054 4.502 4.556 -0.000 0.000 0.294 816 H C 1.948 177.277 175.328 0.001 0.000 1.064 816 H CA 1.300 57.317 56.048 -0.052 0.000 1.330 816 H CB 0.426 30.153 29.762 -0.057 0.000 1.395 816 H HN 0.290 nan 8.280 nan 0.000 0.541 817 A N 0.422 123.349 122.820 0.178 0.000 2.119 817 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 817 A C 2.106 179.711 177.584 0.034 0.000 1.153 817 A CA 0.719 52.831 52.037 0.126 0.000 0.692 817 A CB -0.159 18.910 19.000 0.114 0.000 0.799 817 A HN 0.521 nan 8.150 nan 0.000 0.458 818 Q N -1.433 118.373 119.800 0.011 0.000 2.280 818 Q HA 0.265 4.605 4.340 -0.000 0.000 0.201 818 Q C 0.884 176.859 176.000 -0.042 0.000 0.890 818 Q CA 0.239 56.038 55.803 -0.007 0.000 0.947 818 Q CB 0.308 29.049 28.738 0.004 0.000 1.081 818 Q HN 0.793 nan 8.270 nan 0.000 0.502 819 G N 1.988 110.728 108.800 -0.100 0.000 2.160 819 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 819 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 819 G C -0.232 174.604 174.900 -0.107 0.000 1.008 819 G CA 0.238 45.253 45.100 -0.142 0.000 0.724 819 G HN 0.394 nan 8.290 nan 0.000 0.514 820 D N 0.806 121.157 120.400 -0.082 0.000 2.426 820 D HA 0.160 4.799 4.640 -0.000 0.000 0.261 820 D C 0.241 176.514 176.300 -0.045 0.000 1.245 820 D CA -0.659 53.315 54.000 -0.044 0.000 0.917 820 D CB 1.110 41.896 40.800 -0.023 0.000 1.123 820 D HN 0.286 nan 8.370 nan 0.000 0.508 821 P HA -0.017 nan 4.420 nan 0.000 0.227 821 P C 0.761 178.068 177.300 0.011 0.000 1.161 821 P CA 0.286 63.379 63.100 -0.013 0.000 0.788 821 P CB 0.295 31.988 31.700 -0.012 0.000 0.822 822 A N -0.029 122.800 122.820 0.015 0.000 2.235 822 A HA 0.108 4.428 4.320 -0.000 0.000 0.208 822 A C 1.248 178.861 177.584 0.048 0.000 1.172 822 A CA -0.080 51.973 52.037 0.027 0.000 0.786 822 A CB -1.085 17.930 19.000 0.025 0.000 0.804 822 A HN 0.161 nan 8.150 nan 0.000 0.479 823 L N 1.504 122.761 121.223 0.057 0.000 2.500 823 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 823 L C 1.079 178.061 176.870 0.186 0.000 1.149 823 L CA -0.329 54.576 54.840 0.108 0.000 0.897 823 L CB 0.521 42.581 42.059 0.001 0.000 1.178 823 L HN 0.331 nan 8.230 nan 0.000 0.473 824 S N 3.795 119.601 115.700 0.176 0.000 2.559 824 S HA 0.009 4.479 4.470 -0.000 0.000 0.282 824 S C 0.891 175.556 174.600 0.108 0.000 1.336 824 S CA -0.104 58.138 58.200 0.068 0.000 1.037 824 S CB 0.470 63.648 63.200 -0.038 0.000 0.853 824 S HN 0.590 nan 8.310 nan 0.000 0.523 825 M N 3.335 122.907 119.600 -0.046 0.000 2.484 825 M HA 0.161 4.641 4.480 -0.000 0.000 0.307 825 M C 1.062 177.153 176.300 -0.348 0.000 1.149 825 M CA 0.158 55.469 55.300 0.018 0.000 0.972 825 M CB -0.393 32.261 32.600 0.090 0.000 1.400 825 M HN 0.850 nan 8.290 nan 0.000 0.508 826 S N -2.197 112.936 115.700 -0.945 0.000 2.769 826 S HA 0.217 4.687 4.470 -0.000 0.000 0.258 826 S C 0.338 173.846 174.600 -1.821 0.000 1.080 826 S CA -0.218 57.297 58.200 -1.141 0.000 0.943 826 S CB 0.789 63.616 63.200 -0.622 0.000 0.893 826 S HN 0.434 nan 8.310 nan 0.000 0.490 827 H N -0.921 117.258 119.070 -1.485 0.000 2.834 827 H HA 0.656 5.212 4.556 -0.000 0.000 0.369 827 H C -1.305 173.611 175.328 -0.687 0.000 1.174 827 H CA -0.904 54.546 56.048 -0.996 0.000 1.165 827 H CB 0.650 30.113 29.762 -0.497 0.000 1.820 827 H HN 0.322 nan 8.280 nan 0.000 0.558 828 W N 0.763 122.059 121.300 -0.006 0.000 2.253 828 W HA 0.316 4.976 4.660 -0.000 0.000 0.348 828 W C 0.550 177.111 176.519 0.070 0.000 1.229 828 W CA -0.743 56.684 57.345 0.137 0.000 1.335 828 W CB 0.650 30.209 29.460 0.165 0.000 1.165 828 W HN 0.327 nan 8.180 nan 0.000 0.631 829 M N 3.241 123.144 119.600 0.506 0.000 3.435 829 M HA 0.143 4.622 4.480 -0.000 0.000 0.205 829 M C -1.139 175.405 176.300 0.407 0.000 1.324 829 M CA 0.310 55.815 55.300 0.342 0.000 1.455 829 M CB -1.006 31.780 32.600 0.310 0.000 1.240 829 M HN 0.303 nan 8.290 nan 0.000 0.477 830 F N -3.614 116.489 119.950 0.255 0.000 2.668 830 F HA 0.392 4.919 4.527 -0.000 0.000 0.309 830 F C -0.533 175.380 175.800 0.189 0.000 1.117 830 F CA -1.346 56.804 58.000 0.250 0.000 0.951 830 F CB 0.766 40.016 39.000 0.415 0.000 1.323 830 F HN -0.065 nan 8.300 nan 0.000 0.451 831 H N 3.380 122.581 119.070 0.219 0.000 3.291 831 H HA 0.130 4.686 4.556 -0.000 0.000 0.256 831 H C 0.762 176.115 175.328 0.041 0.000 1.315 831 H CA 0.948 56.984 56.048 -0.020 0.000 1.521 831 H CB 0.773 30.459 29.762 -0.126 0.000 1.621 831 H HN 0.898 nan 8.280 nan 0.000 0.498 832 Q N 2.556 122.243 119.800 -0.188 0.000 2.096 832 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 832 Q C 2.207 178.309 176.000 0.170 0.000 0.982 832 Q CA 1.845 57.603 55.803 -0.075 0.000 0.850 832 Q CB 0.121 28.740 28.738 -0.199 0.000 0.901 832 Q HN 0.727 nan 8.270 nan 0.000 0.422 833 Q N 0.243 120.129 119.800 0.143 0.000 2.050 833 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 833 Q C 2.036 178.125 176.000 0.148 0.000 0.980 833 Q CA 1.526 57.415 55.803 0.143 0.000 0.840 833 Q CB -0.230 28.579 28.738 0.117 0.000 0.898 833 Q HN 0.369 nan 8.270 nan 0.000 0.424 834 A N 0.903 123.804 122.820 0.136 0.000 1.908 834 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 834 A C 2.030 179.706 177.584 0.154 0.000 1.181 834 A CA 1.451 53.450 52.037 -0.062 0.000 0.627 834 A CB -0.812 17.927 19.000 -0.435 0.000 0.818 834 A HN 0.515 nan 8.150 nan 0.000 0.445 835 L N -0.104 121.292 121.223 0.288 0.000 2.017 835 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 835 L C 2.493 179.548 176.870 0.309 0.000 1.073 835 L CA 2.384 57.449 54.840 0.375 0.000 0.745 835 L CB -0.797 41.593 42.059 0.552 0.000 0.894 835 L HN 0.514 nan 8.230 nan 0.000 0.432 836 Q N -0.667 119.277 119.800 0.240 0.000 2.135 836 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 836 Q C 2.133 178.205 176.000 0.119 0.000 0.981 836 Q CA 1.981 57.876 55.803 0.153 0.000 0.856 836 Q CB -0.186 28.614 28.738 0.103 0.000 0.902 836 Q HN 0.646 nan 8.270 nan 0.000 0.425 837 E N -0.214 120.057 120.200 0.118 0.000 2.077 837 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 837 E C 1.709 178.414 176.600 0.174 0.000 0.989 837 E CA 0.994 57.446 56.400 0.087 0.000 0.800 837 E CB -0.129 29.573 29.700 0.004 0.000 0.746 837 E HN 0.331 nan 8.360 nan 0.000 0.452 838 Y N 1.421 121.803 120.300 0.136 0.000 2.145 838 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 838 Y C 1.879 177.850 175.900 0.117 0.000 1.145 838 Y CA 1.496 59.696 58.100 0.167 0.000 1.148 838 Y CB -0.252 38.299 38.460 0.151 0.000 0.981 838 Y HN -0.044 nan 8.280 nan 0.000 0.507 839 I N -0.353 120.189 120.570 -0.046 0.000 2.142 839 I HA -0.350 3.820 4.170 -0.000 0.000 0.240 839 I C 2.396 178.440 176.117 -0.122 0.000 1.078 839 I CA 1.637 62.855 61.300 -0.138 0.000 1.343 839 I CB -0.637 37.375 38.000 0.020 0.000 1.046 839 I HN 0.235 nan 8.210 nan 0.000 0.405 840 L N -0.310 120.896 121.223 -0.028 0.000 2.046 840 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 840 L C 2.581 179.454 176.870 0.004 0.000 1.077 840 L CA 1.537 56.376 54.840 -0.000 0.000 0.747 840 L CB -0.366 41.707 42.059 0.024 0.000 0.896 840 L HN 0.290 nan 8.230 nan 0.000 0.432 841 M N -2.085 117.528 119.600 0.021 0.000 2.435 841 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 841 M C 1.734 178.018 176.300 -0.027 0.000 1.104 841 M CA 0.823 56.168 55.300 0.075 0.000 1.140 841 M CB 0.121 32.855 32.600 0.224 0.000 1.372 841 M HN 0.353 nan 8.290 nan 0.000 0.456 842 C N -1.913 117.278 119.300 -0.182 0.000 3.403 842 C HA 0.177 4.637 4.460 -0.000 0.000 0.317 842 C C 1.824 176.616 174.990 -0.330 0.000 1.346 842 C CA -0.518 58.324 59.018 -0.293 0.000 1.743 842 C CB -0.352 27.123 27.740 -0.441 0.000 2.308 842 C HN 0.561 nan 8.230 nan 0.000 0.675 843 C N 0.968 120.068 119.300 -0.333 0.000 3.104 843 C HA 0.203 4.663 4.460 -0.000 0.000 0.284 843 C C 0.645 175.546 174.990 -0.148 0.000 1.326 843 C CA -0.163 58.704 59.018 -0.250 0.000 1.725 843 C CB -1.585 25.991 27.740 -0.273 0.000 2.156 843 C HN 0.606 nan 8.230 nan 0.000 0.638 844 Q N 0.304 120.046 119.800 -0.097 0.000 2.241 844 Q HA 0.360 4.699 4.340 -0.000 0.000 0.254 844 Q C -0.431 175.547 176.000 -0.038 0.000 0.917 844 Q CA -0.090 55.703 55.803 -0.016 0.000 0.919 844 Q CB 1.810 30.592 28.738 0.073 0.000 1.237 844 Q HN 0.460 nan 8.270 nan 0.000 0.434 845 C N 4.041 123.318 119.300 -0.038 0.000 2.388 845 C HA 0.325 4.785 4.460 -0.000 0.000 0.362 845 C C -1.315 173.627 174.990 -0.080 0.000 1.266 845 C CA -1.832 57.128 59.018 -0.096 0.000 2.028 845 C CB 0.118 27.752 27.740 -0.177 0.000 2.440 845 C HN 0.734 nan 8.230 nan 0.000 0.547 846 P HA -0.046 nan 4.420 nan 0.000 0.218 846 P C 1.036 178.267 177.300 -0.115 0.000 1.148 846 P CA 1.764 64.808 63.100 -0.092 0.000 0.822 846 P CB 0.082 31.735 31.700 -0.079 0.000 0.784 847 A N -1.141 121.604 122.820 -0.124 0.000 2.238 847 A HA 0.487 4.807 4.320 -0.000 0.000 0.208 847 A C 0.999 178.493 177.584 -0.149 0.000 1.177 847 A CA 0.708 52.666 52.037 -0.131 0.000 0.804 847 A CB -0.966 17.966 19.000 -0.114 0.000 0.823 847 A HN 0.310 nan 8.150 nan 0.000 0.482 848 G N -2.647 106.053 108.800 -0.167 0.000 2.617 848 G HA2 0.538 4.497 3.960 -0.000 0.000 0.686 848 G HA3 0.538 4.497 3.960 -0.000 0.000 0.686 848 G C 0.391 175.129 174.900 -0.271 0.000 1.214 848 G CA -0.234 44.805 45.100 -0.102 0.000 0.796 848 G HN 2.419 nan 8.290 nan 0.000 0.654 849 G N -1.118 107.771 108.800 0.149 0.000 2.690 849 G HA2 0.359 4.319 3.960 -0.000 0.000 0.686 849 G HA3 0.359 4.319 3.960 -0.000 0.000 0.686 849 G C -0.597 174.181 174.900 -0.204 0.000 1.277 849 G CA 0.136 45.067 45.100 -0.282 0.000 0.799 849 G HN 1.675 nan 8.290 nan 0.000 0.613 850 L N -0.026 121.074 121.223 -0.205 0.000 2.271 850 L HA 0.985 5.325 4.340 -0.000 0.000 0.265 850 L C 0.467 177.263 176.870 -0.125 0.000 1.013 850 L CA -0.913 53.823 54.840 -0.175 0.000 0.820 850 L CB 1.817 43.752 42.059 -0.206 0.000 1.352 850 L HN 1.085 nan 8.230 nan 0.000 0.443 851 L N -3.465 117.683 121.223 -0.127 0.000 2.510 851 L HA 0.692 5.032 4.340 -0.000 0.000 0.252 851 L C 0.328 177.079 176.870 -0.198 0.000 1.091 851 L CA -0.685 54.041 54.840 -0.191 0.000 0.888 851 L CB 0.395 42.325 42.059 -0.215 0.000 1.507 851 L HN 0.440 nan 8.230 nan 0.000 0.407 852 D N 0.214 120.346 120.400 -0.447 0.000 2.088 852 D HA -0.084 4.556 4.640 -0.000 0.000 0.196 852 D C 0.012 176.313 176.300 0.003 0.000 0.983 852 D CA 2.346 56.208 54.000 -0.230 0.000 0.846 852 D CB 0.309 40.902 40.800 -0.344 0.000 0.992 852 D HN 0.718 nan 8.370 nan 0.000 0.448 853 K N -1.687 118.693 120.400 -0.033 0.000 2.548 853 K HA 0.564 4.884 4.320 -0.000 0.000 0.282 853 K C -2.982 173.595 176.600 -0.038 0.000 1.006 853 K CA -1.807 54.505 56.287 0.041 0.000 0.892 853 K CB 1.494 34.069 32.500 0.125 0.000 1.499 853 K HN -0.266 nan 8.250 nan 0.000 0.433 854 P HA 0.023 nan 4.420 nan 0.000 0.262 854 P C 0.416 177.688 177.300 -0.046 0.000 1.182 854 P CA 1.624 64.688 63.100 -0.061 0.000 0.761 854 P CB 0.550 32.213 31.700 -0.061 0.000 0.795 855 G N 1.603 110.369 108.800 -0.058 0.000 2.213 855 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.226 855 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.226 855 G C 0.132 174.998 174.900 -0.057 0.000 0.992 855 G CA -0.332 44.739 45.100 -0.048 0.000 0.632 855 G HN 0.465 nan 8.290 nan 0.000 0.511 856 K N 1.312 121.666 120.400 -0.077 0.000 2.095 856 K HA 0.654 4.974 4.320 -0.000 0.000 0.252 856 K C 0.592 177.123 176.600 -0.116 0.000 0.977 856 K CA 0.143 56.370 56.287 -0.100 0.000 0.900 856 K CB 1.548 33.963 32.500 -0.142 0.000 1.060 856 K HN 0.509 nan 8.250 nan 0.000 0.449 857 S N 0.878 116.511 115.700 -0.113 0.000 2.616 857 S HA 0.380 4.849 4.470 -0.000 0.000 0.277 857 S C 0.273 174.794 174.600 -0.132 0.000 1.234 857 S CA -1.013 57.122 58.200 -0.108 0.000 1.028 857 S CB 1.171 64.325 63.200 -0.077 0.000 0.988 857 S HN 0.580 nan 8.310 nan 0.000 0.522 858 R N 0.453 120.868 120.500 -0.143 0.000 2.774 858 R HA 0.480 4.820 4.340 -0.000 0.000 0.269 858 R C -0.974 175.293 176.300 -0.056 0.000 1.068 858 R CA -0.273 55.731 56.100 -0.160 0.000 1.180 858 R CB -0.348 29.761 30.300 -0.319 0.000 1.077 858 R HN 0.860 nan 8.270 nan 0.000 0.513 859 D N -0.551 119.853 120.400 0.005 0.000 2.694 859 D HA 0.103 4.742 4.640 -0.000 0.000 0.260 859 D C -0.460 175.858 176.300 0.029 0.000 1.250 859 D CA -0.808 53.254 54.000 0.104 0.000 0.763 859 D CB 0.046 40.954 40.800 0.181 0.000 1.311 859 D HN 0.384 nan 8.370 nan 0.000 0.420 860 F N -0.552 119.587 119.950 0.315 0.000 2.365 860 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 860 F C 1.864 177.547 175.800 -0.196 0.000 1.090 860 F CA 0.420 58.489 58.000 0.115 0.000 1.408 860 F CB -0.338 38.744 39.000 0.137 0.000 1.060 860 F HN 0.470 nan 8.300 nan 0.000 0.534 861 Y N 0.637 120.624 120.300 -0.521 0.000 2.109 861 Y HA -0.258 4.291 4.550 -0.000 0.000 0.285 861 Y C 2.413 178.003 175.900 -0.518 0.000 1.131 861 Y CA 1.958 59.354 58.100 -1.173 0.000 1.121 861 Y CB -0.979 36.791 38.460 -1.149 0.000 0.987 861 Y HN 0.035 nan 8.280 nan 0.000 0.495 862 H N -0.994 117.861 119.070 -0.358 0.000 2.457 862 H HA -0.071 4.485 4.556 -0.000 0.000 0.294 862 H C 2.157 177.313 175.328 -0.286 0.000 1.064 862 H CA 1.825 57.667 56.048 -0.343 0.000 1.330 862 H CB -0.285 29.394 29.762 -0.137 0.000 1.395 862 H HN 0.327 nan 8.280 nan 0.000 0.541 863 T N -0.636 113.851 114.554 -0.112 0.000 2.737 863 T HA -0.224 4.126 4.350 -0.000 0.000 0.265 863 T C 2.364 176.930 174.700 -0.223 0.000 1.038 863 T CA 1.323 63.356 62.100 -0.112 0.000 1.144 863 T CB -0.680 68.231 68.868 0.072 0.000 0.866 863 T HN 0.580 nan 8.240 nan 0.000 0.434 864 C N 0.631 119.737 119.300 -0.323 0.000 2.432 864 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 864 C C 2.346 176.919 174.990 -0.695 0.000 1.249 864 C CA 0.554 59.271 59.018 -0.501 0.000 1.725 864 C CB -1.450 25.927 27.740 -0.605 0.000 2.028 864 C HN 0.653 nan 8.230 nan 0.000 0.477 865 Y N -0.357 119.627 120.300 -0.527 0.000 2.395 865 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 865 Y C 2.865 178.557 175.900 -0.347 0.000 1.123 865 Y CA 1.269 59.028 58.100 -0.568 0.000 1.227 865 Y CB -0.600 37.340 38.460 -0.867 0.000 1.012 865 Y HN 0.382 nan 8.280 nan 0.000 0.552 866 C N -0.058 119.138 119.300 -0.173 0.000 2.446 866 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 866 C C 2.678 177.610 174.990 -0.097 0.000 1.275 866 C CA 0.940 59.904 59.018 -0.090 0.000 1.727 866 C CB -1.184 26.500 27.740 -0.094 0.000 2.010 866 C HN 0.526 nan 8.230 nan 0.000 0.486 867 L N 0.306 121.429 121.223 -0.167 0.000 2.056 867 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 867 L C 2.661 179.460 176.870 -0.118 0.000 1.078 867 L CA 1.408 56.156 54.840 -0.153 0.000 0.749 867 L CB -0.696 41.237 42.059 -0.209 0.000 0.901 867 L HN 0.290 nan 8.230 nan 0.000 0.433 868 S N 0.127 115.724 115.700 -0.170 0.000 2.370 868 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 868 S C 2.009 176.678 174.600 0.115 0.000 1.033 868 S CA 1.338 59.489 58.200 -0.082 0.000 1.011 868 S CB -0.642 62.339 63.200 -0.365 0.000 0.852 868 S HN 0.617 nan 8.310 nan 0.000 0.457 869 G N 1.427 110.289 108.800 0.104 0.000 2.408 869 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 869 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 869 G C 1.370 176.340 174.900 0.118 0.000 1.150 869 G CA 0.689 45.859 45.100 0.118 0.000 0.776 869 G HN 0.406 nan 8.290 nan 0.000 0.542 870 L N 1.060 122.330 121.223 0.078 0.000 2.046 870 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 870 L C 2.863 179.776 176.870 0.072 0.000 1.077 870 L CA 2.369 57.255 54.840 0.077 0.000 0.747 870 L CB -0.861 41.213 42.059 0.025 0.000 0.896 870 L HN 0.222 nan 8.230 nan 0.000 0.432 871 S N -0.661 115.083 115.700 0.073 0.000 2.353 871 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 871 S C 2.056 176.761 174.600 0.175 0.000 1.035 871 S CA 1.470 59.734 58.200 0.106 0.000 1.025 871 S CB -0.308 62.987 63.200 0.158 0.000 0.902 871 S HN 0.416 nan 8.310 nan 0.000 0.440 872 I N 2.124 122.827 120.570 0.223 0.000 2.151 872 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 872 I C 2.745 179.114 176.117 0.419 0.000 1.080 872 I CA 1.663 63.121 61.300 0.264 0.000 1.339 872 I CB -1.864 36.215 38.000 0.131 0.000 1.039 872 I HN 0.391 nan 8.210 nan 0.000 0.409 873 A N -0.283 122.783 122.820 0.410 0.000 2.119 873 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 873 A C 2.174 179.869 177.584 0.186 0.000 1.153 873 A CA 0.993 53.310 52.037 0.468 0.000 0.692 873 A CB -0.387 18.903 19.000 0.483 0.000 0.799 873 A HN 0.570 nan 8.150 nan 0.000 0.458 874 Q N -1.000 118.811 119.800 0.017 0.000 2.339 874 Q HA 0.043 4.383 4.340 -0.000 0.000 0.205 874 Q C -0.304 175.493 176.000 -0.338 0.000 0.925 874 Q CA 0.459 56.107 55.803 -0.259 0.000 0.898 874 Q CB 0.235 28.667 28.738 -0.510 0.000 1.013 874 Q HN 0.702 nan 8.270 nan 0.000 0.504 875 H N -0.623 118.557 119.070 0.184 0.000 2.539 875 H HA 0.251 4.807 4.556 -0.000 0.000 0.332 875 H C -1.528 173.975 175.328 0.293 0.000 1.031 875 H CA -0.730 55.413 56.048 0.159 0.000 1.206 875 H CB 0.721 30.568 29.762 0.141 0.000 1.446 875 H HN 0.014 nan 8.280 nan 0.000 0.496 876 F N 1.960 121.877 119.950 -0.056 0.000 2.469 876 F HA 0.606 5.133 4.527 -0.000 0.000 0.332 876 F C -0.196 175.425 175.800 -0.299 0.000 1.103 876 F CA -0.457 57.215 58.000 -0.546 0.000 0.979 876 F CB 1.808 40.255 39.000 -0.922 0.000 1.137 876 F HN 0.593 nan 8.300 nan 0.000 0.463 877 G N 2.826 110.909 108.800 -1.196 0.000 2.417 877 G HA2 0.378 4.338 3.960 -0.000 0.000 0.282 877 G HA3 0.378 4.338 3.960 -0.000 0.000 0.282 877 G C -1.668 172.799 174.900 -0.723 0.000 1.388 877 G CA -0.618 44.060 45.100 -0.703 0.000 1.276 877 G HN 0.702 nan 8.290 nan 0.000 0.602 878 S N 1.928 117.217 115.700 -0.685 0.000 2.080 878 S HA 0.600 5.070 4.470 -0.000 0.000 0.162 878 S C 1.226 175.721 174.600 -0.175 0.000 1.618 878 S CA 0.950 58.935 58.200 -0.359 0.000 1.200 878 S CB -0.609 62.477 63.200 -0.190 0.000 1.135 878 S HN 2.320 nan 8.310 nan 0.000 0.455 879 G N 2.883 111.600 108.800 -0.138 0.000 2.728 879 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.269 879 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.269 879 G C 1.021 175.900 174.900 -0.035 0.000 1.334 879 G CA -0.036 45.026 45.100 -0.065 0.000 0.974 879 G HN 1.346 nan 8.290 nan 0.000 0.550 880 A N 0.263 123.083 122.820 -0.001 0.000 2.123 880 A HA 0.512 4.832 4.320 -0.000 0.000 0.214 880 A C 1.472 179.065 177.584 0.015 0.000 1.152 880 A CA 1.563 53.606 52.037 0.010 0.000 0.728 880 A CB -0.272 18.744 19.000 0.027 0.000 0.814 880 A HN 0.631 nan 8.150 nan 0.000 0.464 881 M N 0.655 120.269 119.600 0.024 0.000 2.200 881 M HA 0.425 4.905 4.480 -0.000 0.000 0.355 881 M C -1.032 175.293 176.300 0.041 0.000 1.283 881 M CA 0.610 55.950 55.300 0.066 0.000 1.124 881 M CB -0.009 32.682 32.600 0.151 0.000 1.625 881 M HN 0.123 nan 8.290 nan 0.000 0.463 882 L N 3.758 125.032 121.223 0.085 0.000 2.541 882 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 882 L C -1.114 175.847 176.870 0.151 0.000 0.966 882 L CA -0.473 54.415 54.840 0.080 0.000 0.871 882 L CB 1.794 43.866 42.059 0.020 0.000 1.232 882 L HN 0.726 nan 8.230 nan 0.000 0.408 883 H N 1.678 120.788 119.070 0.066 0.000 2.782 883 H HA 0.527 5.083 4.556 -0.000 0.000 0.347 883 H C -1.565 173.724 175.328 -0.066 0.000 1.038 883 H CA -0.400 55.613 56.048 -0.059 0.000 1.255 883 H CB 1.639 31.258 29.762 -0.238 0.000 1.623 883 H HN 0.414 nan 8.280 nan 0.000 0.525 884 D N 3.211 123.280 120.400 -0.551 0.000 2.217 884 D HA 0.433 5.073 4.640 -0.000 0.000 0.248 884 D C -0.607 175.303 176.300 -0.649 0.000 1.008 884 D CA -0.447 53.300 54.000 -0.422 0.000 0.914 884 D CB 2.335 43.081 40.800 -0.089 0.000 1.182 884 D HN 0.256 nan 8.370 nan 0.000 0.451 885 V N 1.825 121.504 119.914 -0.392 0.000 2.462 885 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 885 V C -0.559 175.442 176.094 -0.155 0.000 1.020 885 V CA -0.709 61.437 62.300 -0.256 0.000 0.857 885 V CB 1.845 33.555 31.823 -0.187 0.000 1.013 885 V HN 0.283 nan 8.190 nan 0.000 0.431 886 V N 5.770 125.617 119.914 -0.111 0.000 2.304 886 V HA 0.423 4.543 4.120 -0.000 0.000 0.278 886 V C 0.262 176.328 176.094 -0.046 0.000 1.018 886 V CA -0.516 61.738 62.300 -0.077 0.000 0.814 886 V CB 1.368 33.153 31.823 -0.063 0.000 1.021 886 V HN 0.707 nan 8.190 nan 0.000 0.440 887 M N 2.988 122.569 119.600 -0.032 0.000 2.243 887 M HA 0.473 4.953 4.480 -0.000 0.000 0.341 887 M C 1.100 177.385 176.300 -0.025 0.000 1.130 887 M CA 1.088 56.374 55.300 -0.024 0.000 1.162 887 M CB 0.332 32.927 32.600 -0.008 0.000 1.497 887 M HN 0.931 nan 8.290 nan 0.000 0.456 888 G N 1.196 109.975 108.800 -0.034 0.000 2.645 888 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.239 888 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.239 888 G C -0.279 174.605 174.900 -0.027 0.000 1.331 888 G CA -0.354 44.726 45.100 -0.034 0.000 0.890 888 G HN 1.226 nan 8.290 nan 0.000 0.572 889 V N -1.206 118.696 119.914 -0.020 0.000 2.788 889 V HA 0.415 4.535 4.120 -0.000 0.000 0.307 889 V C 0.092 176.178 176.094 -0.013 0.000 1.069 889 V CA 0.241 62.531 62.300 -0.016 0.000 1.173 889 V CB 0.899 32.715 31.823 -0.011 0.000 0.925 889 V HN 0.862 nan 8.190 nan 0.000 0.492 890 P HA -0.103 nan 4.420 nan 0.000 0.225 890 P C 0.911 178.209 177.300 -0.004 0.000 1.148 890 P CA 1.162 64.256 63.100 -0.010 0.000 0.779 890 P CB 0.333 32.027 31.700 -0.010 0.000 0.780 891 E N -0.158 120.040 120.200 -0.004 0.000 2.418 891 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 891 E C 1.637 178.240 176.600 0.005 0.000 1.026 891 E CA 0.410 56.809 56.400 -0.002 0.000 0.862 891 E CB -0.908 28.788 29.700 -0.006 0.000 0.799 891 E HN 0.233 nan 8.360 nan 0.000 0.518 892 N N 0.120 118.822 118.700 0.004 0.000 2.453 892 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 892 N C 0.253 175.767 175.510 0.007 0.000 1.041 892 N CA 0.203 53.258 53.050 0.008 0.000 0.900 892 N CB -0.037 38.451 38.487 0.001 0.000 0.961 892 N HN 0.086 nan 8.380 nan 0.000 0.443 893 V N 1.995 121.915 119.914 0.010 0.000 2.585 893 V HA 0.062 4.182 4.120 -0.000 0.000 0.296 893 V C 0.087 176.221 176.094 0.067 0.000 1.035 893 V CA -0.063 62.255 62.300 0.030 0.000 1.084 893 V CB -0.029 31.832 31.823 0.064 0.000 0.953 893 V HN 0.016 nan 8.190 nan 0.000 0.483 894 L N 5.578 126.862 121.223 0.103 0.000 2.335 894 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 894 L C 0.126 177.118 176.870 0.204 0.000 1.016 894 L CA -1.012 53.893 54.840 0.108 0.000 0.805 894 L CB 1.125 43.218 42.059 0.056 0.000 1.311 894 L HN 0.468 nan 8.230 nan 0.000 0.456 895 Q N 1.726 121.582 119.800 0.094 0.000 2.394 895 Q HA 0.259 4.598 4.340 -0.000 0.000 0.248 895 Q C -2.236 173.825 176.000 0.101 0.000 0.992 895 Q CA -1.552 54.285 55.803 0.057 0.000 0.888 895 Q CB 0.680 29.426 28.738 0.014 0.000 1.257 895 Q HN 0.265 nan 8.270 nan 0.000 0.462 896 P HA 0.055 nan 4.420 nan 0.000 0.274 896 P C -0.511 176.886 177.300 0.161 0.000 1.237 896 P CA -0.122 63.035 63.100 0.095 0.000 0.793 896 P CB 0.886 32.543 31.700 -0.072 0.000 0.977 897 T N 0.219 114.910 114.554 0.228 0.000 2.876 897 T HA 0.182 4.532 4.350 -0.000 0.000 0.289 897 T C -0.706 174.180 174.700 0.309 0.000 1.014 897 T CA -0.484 61.792 62.100 0.294 0.000 0.986 897 T CB 0.294 69.363 68.868 0.334 0.000 1.021 897 T HN 0.381 nan 8.240 nan 0.000 0.458 898 H N 6.266 125.498 119.070 0.269 0.000 2.899 898 H HA 0.215 4.771 4.556 -0.000 0.000 0.303 898 H C -1.583 173.955 175.328 0.349 0.000 1.042 898 H CA -1.653 54.567 56.048 0.287 0.000 1.479 898 H CB 1.749 31.709 29.762 0.330 0.000 1.493 898 H HN 0.431 nan 8.280 nan 0.000 0.534 899 P HA -0.120 nan 4.420 nan 0.000 0.231 899 P C 1.098 178.710 177.300 0.521 0.000 1.158 899 P CA 0.518 63.829 63.100 0.351 0.000 0.763 899 P CB 0.639 32.367 31.700 0.047 0.000 0.805 900 V N -1.880 118.430 119.914 0.660 0.000 2.581 900 V HA -0.051 4.069 4.120 -0.000 0.000 0.240 900 V C 2.090 178.401 176.094 0.362 0.000 1.054 900 V CA 1.303 63.802 62.300 0.331 0.000 1.076 900 V CB -0.936 30.904 31.823 0.029 0.000 0.748 900 V HN -0.058 nan 8.190 nan 0.000 0.474 901 Y N -0.451 120.150 120.300 0.502 0.000 2.509 901 Y HA 0.283 4.833 4.550 -0.000 0.000 0.270 901 Y C 1.346 177.469 175.900 0.372 0.000 1.103 901 Y CA 0.209 58.546 58.100 0.395 0.000 1.278 901 Y CB -0.002 38.496 38.460 0.063 0.000 1.087 901 Y HN 0.369 nan 8.280 nan 0.000 0.542 902 N N 0.972 119.978 118.700 0.511 0.000 2.756 902 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 902 N C -0.930 174.488 175.510 -0.153 0.000 1.062 902 N CA 0.939 54.094 53.050 0.175 0.000 0.696 902 N CB -1.464 36.950 38.487 -0.121 0.000 0.946 902 N HN 0.636 nan 8.380 nan 0.000 0.548 903 I N -4.290 116.356 120.570 0.126 0.000 3.191 903 I HA 0.733 4.903 4.170 -0.000 0.000 0.313 903 I C 0.986 177.271 176.117 0.279 0.000 1.193 903 I CA -1.039 60.342 61.300 0.135 0.000 0.968 903 I CB 1.457 39.516 38.000 0.098 0.000 1.262 903 I HN 0.015 nan 8.210 nan 0.000 0.456 904 G N 2.260 111.212 108.800 0.253 0.000 2.265 904 G HA2 0.238 4.198 3.960 -0.000 0.000 0.240 904 G HA3 0.238 4.198 3.960 -0.000 0.000 0.240 904 G C -1.952 173.068 174.900 0.200 0.000 1.270 904 G CA -0.590 44.630 45.100 0.201 0.000 0.901 904 G HN 0.615 nan 8.290 nan 0.000 0.507 905 P HA -0.123 nan 4.420 nan 0.000 0.218 905 P C 1.542 178.947 177.300 0.176 0.000 1.146 905 P CA 1.513 64.771 63.100 0.264 0.000 0.813 905 P CB 0.234 32.039 31.700 0.175 0.000 0.778 906 D N -0.881 119.588 120.400 0.115 0.000 2.194 906 D HA -0.125 4.514 4.640 -0.000 0.000 0.204 906 D C 1.396 177.739 176.300 0.072 0.000 0.964 906 D CA 1.009 55.057 54.000 0.080 0.000 0.846 906 D CB -0.472 40.362 40.800 0.057 0.000 0.962 906 D HN 0.070 nan 8.370 nan 0.000 0.490 907 K N 0.971 121.417 120.400 0.076 0.000 2.097 907 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 907 K C 2.463 179.078 176.600 0.025 0.000 1.050 907 K CA 0.319 56.645 56.287 0.065 0.000 0.938 907 K CB -0.594 31.946 32.500 0.067 0.000 0.718 907 K HN 0.164 nan 8.250 nan 0.000 0.442 908 V N 2.139 122.043 119.914 -0.018 0.000 2.237 908 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 908 V C 2.435 178.482 176.094 -0.078 0.000 1.046 908 V CA 1.585 63.787 62.300 -0.163 0.000 1.007 908 V CB -0.448 31.237 31.823 -0.231 0.000 0.638 908 V HN 0.157 nan 8.190 nan 0.000 0.445 909 I N -0.206 120.373 120.570 0.014 0.000 2.118 909 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 909 I C 2.716 178.848 176.117 0.025 0.000 1.070 909 I CA 2.310 63.630 61.300 0.033 0.000 1.327 909 I CB -0.529 37.508 38.000 0.060 0.000 1.034 909 I HN 0.419 nan 8.210 nan 0.000 0.405 910 Q N 1.017 120.843 119.800 0.044 0.000 2.077 910 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 910 Q C 2.287 178.309 176.000 0.037 0.000 0.989 910 Q CA 2.320 58.162 55.803 0.065 0.000 0.853 910 Q CB -0.144 28.657 28.738 0.106 0.000 0.907 910 Q HN 0.553 nan 8.270 nan 0.000 0.418 911 A N 0.403 123.244 122.820 0.035 0.000 1.858 911 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 911 A C 2.335 179.924 177.584 0.009 0.000 1.190 911 A CA 2.379 54.381 52.037 -0.058 0.000 0.617 911 A CB -1.422 17.616 19.000 0.063 0.000 0.827 911 A HN 0.707 nan 8.150 nan 0.000 0.443 912 T N -2.788 111.772 114.554 0.010 0.000 2.720 912 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 912 T C 1.821 176.535 174.700 0.023 0.000 1.037 912 T CA 2.143 64.264 62.100 0.036 0.000 1.144 912 T CB -1.202 67.661 68.868 -0.009 0.000 0.864 912 T HN 0.341 nan 8.240 nan 0.000 0.444 913 T N 0.954 115.505 114.554 -0.006 0.000 2.684 913 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 913 T C 1.733 176.386 174.700 -0.079 0.000 1.036 913 T CA 1.869 63.955 62.100 -0.023 0.000 1.148 913 T CB -0.618 68.247 68.868 -0.005 0.000 0.863 913 T HN 0.783 nan 8.240 nan 0.000 0.436 914 H N 0.283 119.201 119.070 -0.255 0.000 2.319 914 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 914 H C 1.703 176.741 175.328 -0.483 0.000 1.092 914 H CA 1.704 57.484 56.048 -0.447 0.000 1.302 914 H CB -0.537 28.702 29.762 -0.871 0.000 1.373 914 H HN 0.427 nan 8.280 nan 0.000 0.497 915 F N -0.234 119.544 119.950 -0.287 0.000 2.558 915 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 915 F C 2.035 177.718 175.800 -0.194 0.000 1.119 915 F CA 0.249 58.094 58.000 -0.259 0.000 1.451 915 F CB 0.029 38.948 39.000 -0.136 0.000 1.091 915 F HN 0.146 nan 8.300 nan 0.000 0.563 916 L N -0.214 120.996 121.223 -0.023 0.000 2.551 916 L HA -0.140 4.199 4.340 -0.000 0.000 0.228 916 L C 1.832 178.651 176.870 -0.084 0.000 1.153 916 L CA 0.828 55.651 54.840 -0.030 0.000 0.851 916 L CB -0.395 41.652 42.059 -0.020 0.000 0.959 916 L HN 0.258 nan 8.230 nan 0.000 0.451 917 Q N -0.680 119.022 119.800 -0.162 0.000 2.398 917 Q HA 0.024 4.364 4.340 -0.000 0.000 0.204 917 Q C 0.250 176.155 176.000 -0.160 0.000 0.932 917 Q CA 0.436 56.134 55.803 -0.175 0.000 0.916 917 Q CB 0.415 29.004 28.738 -0.248 0.000 1.024 917 Q HN 0.251 nan 8.270 nan 0.000 0.504 918 K N 1.751 122.067 120.400 -0.140 0.000 2.087 918 K HA 0.362 4.681 4.320 -0.000 0.000 0.255 918 K C -2.369 174.190 176.600 -0.068 0.000 0.988 918 K CA -1.930 54.309 56.287 -0.080 0.000 0.915 918 K CB 0.599 33.100 32.500 0.002 0.000 1.043 918 K HN -0.074 nan 8.250 nan 0.000 0.457 919 P HA 0.179 nan 4.420 nan 0.000 0.292 919 P C -0.317 176.978 177.300 -0.008 0.000 1.283 919 P CA -0.627 62.388 63.100 -0.142 0.000 0.835 919 P CB 0.971 32.423 31.700 -0.414 0.000 1.017 920 V N 5.471 125.392 119.914 0.013 0.000 2.475 920 V HA -0.032 4.088 4.120 -0.000 0.000 0.292 920 V C -1.792 174.389 176.094 0.145 0.000 1.003 920 V CA -0.541 61.803 62.300 0.073 0.000 1.120 920 V CB -1.061 30.804 31.823 0.070 0.000 0.937 920 V HN 0.587 nan 8.190 nan 0.000 0.476 921 P HA -0.075 nan 4.420 nan 0.000 0.258 921 P C 1.048 178.456 177.300 0.181 0.000 1.136 921 P CA 1.978 65.178 63.100 0.166 0.000 0.761 921 P CB -0.025 31.745 31.700 0.116 0.000 0.724 922 G N 2.257 111.174 108.800 0.194 0.000 2.199 922 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 922 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 922 G C 0.411 175.436 174.900 0.210 0.000 0.982 922 G CA -0.146 45.000 45.100 0.077 0.000 0.632 922 G HN 0.605 nan 8.290 nan 0.000 0.529 923 F N 0.000 119.962 119.950 0.020 0.000 2.286 923 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 923 F CA 0.000 58.011 58.000 0.019 0.000 1.383 923 F CB 0.000 39.007 39.000 0.012 0.000 1.145 923 F HN 0.000 nan 8.300 nan 0.000 0.574