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 1isv_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 501 A HA 0.000 nan 4.320 nan 0.000 0.244 501 A C 0.000 177.578 177.584 -0.010 0.000 1.274 501 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 501 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 502 E N -0.518 119.674 120.200 -0.014 0.000 2.801 502 E HA 0.119 4.469 4.350 -0.000 0.000 0.212 502 E C 0.685 177.272 176.600 -0.021 0.000 0.963 502 E CA 0.697 57.084 56.400 -0.022 0.000 1.247 502 E CB 0.885 30.575 29.700 -0.018 0.000 1.076 502 E HN 0.630 nan 8.360 nan 0.000 0.504 503 S N -0.462 115.231 115.700 -0.011 0.000 2.497 503 S HA 0.029 4.499 4.470 -0.000 0.000 0.218 503 S C 1.102 175.719 174.600 0.029 0.000 1.023 503 S CA 0.151 58.356 58.200 0.009 0.000 0.913 503 S CB 0.124 63.327 63.200 0.005 0.000 0.800 503 S HN 0.132 nan 8.310 nan 0.000 0.505 504 T N -0.807 113.744 114.554 -0.005 0.000 2.908 504 T HA 0.659 5.009 4.350 -0.000 0.000 0.290 504 T C 0.956 175.598 174.700 -0.096 0.000 1.034 504 T CA -0.929 61.162 62.100 -0.014 0.000 1.010 504 T CB 1.318 70.161 68.868 -0.042 0.000 1.068 504 T HN 0.036 nan 8.240 nan 0.000 0.481 505 L N 1.563 122.668 121.223 -0.198 0.000 2.012 505 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 505 L C 3.016 179.818 176.870 -0.114 0.000 1.073 505 L CA 1.904 56.516 54.840 -0.379 0.000 0.748 505 L CB -1.166 40.424 42.059 -0.782 0.000 0.891 505 L HN 0.983 nan 8.230 nan 0.000 0.431 506 G N -0.303 108.495 108.800 -0.003 0.000 2.459 506 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 506 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 506 G C 1.760 176.715 174.900 0.091 0.000 1.183 506 G CA 0.976 46.163 45.100 0.145 0.000 0.776 506 G HN 0.483 nan 8.290 nan 0.000 0.552 507 A N 0.976 123.813 122.820 0.029 0.000 1.933 507 A HA 0.264 4.584 4.320 -0.000 0.000 0.218 507 A C 2.803 180.396 177.584 0.015 0.000 1.175 507 A CA 2.314 54.363 52.037 0.019 0.000 0.628 507 A CB -0.719 18.280 19.000 -0.001 0.000 0.814 507 A HN 0.828 nan 8.150 nan 0.000 0.444 508 A N -0.098 122.716 122.820 -0.009 0.000 1.873 508 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 508 A C 2.527 180.122 177.584 0.019 0.000 1.186 508 A CA 2.014 54.039 52.037 -0.019 0.000 0.616 508 A CB -1.084 17.870 19.000 -0.076 0.000 0.823 508 A HN 1.063 nan 8.150 nan 0.000 0.442 509 A N -0.009 122.851 122.820 0.067 0.000 1.908 509 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 509 A C 2.470 180.101 177.584 0.078 0.000 1.181 509 A CA 2.165 54.270 52.037 0.115 0.000 0.627 509 A CB -1.060 18.083 19.000 0.238 0.000 0.818 509 A HN 1.166 nan 8.150 nan 0.000 0.445 510 A N -0.826 122.043 122.820 0.082 0.000 2.076 510 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 510 A C 1.979 179.587 177.584 0.040 0.000 1.160 510 A CA 1.556 53.633 52.037 0.066 0.000 0.653 510 A CB -0.548 18.489 19.000 0.063 0.000 0.801 510 A HN 0.688 nan 8.150 nan 0.000 0.455 511 Q N -0.126 119.691 119.800 0.029 0.000 2.437 511 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 511 Q C 1.291 177.300 176.000 0.014 0.000 0.972 511 Q CA 1.209 57.022 55.803 0.016 0.000 0.903 511 Q CB -0.089 28.654 28.738 0.008 0.000 0.967 511 Q HN 0.802 nan 8.270 nan 0.000 0.486 512 S N -2.412 113.299 115.700 0.018 0.000 2.754 512 S HA 0.374 4.844 4.470 -0.000 0.000 0.247 512 S C 0.961 175.567 174.600 0.011 0.000 1.031 512 S CA 0.018 58.224 58.200 0.010 0.000 1.014 512 S CB 0.973 64.176 63.200 0.004 0.000 0.918 512 S HN 0.375 nan 8.310 nan 0.000 0.519 513 G N 1.522 110.336 108.800 0.023 0.000 2.153 513 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 513 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 513 G C 0.048 174.968 174.900 0.034 0.000 0.994 513 G CA 0.213 45.331 45.100 0.031 0.000 0.698 513 G HN 0.640 nan 8.290 nan 0.000 0.521 514 R N -1.165 119.350 120.500 0.024 0.000 2.902 514 R HA 0.708 5.048 4.340 -0.000 0.000 0.258 514 R C 0.049 176.385 176.300 0.060 0.000 1.071 514 R CA -0.783 55.302 56.100 -0.024 0.000 1.024 514 R CB 0.967 31.204 30.300 -0.104 0.000 1.184 514 R HN 0.435 nan 8.270 nan 0.000 0.492 515 Y N -1.278 119.069 120.300 0.079 0.000 2.602 515 Y HA 0.712 5.262 4.550 -0.000 0.000 0.330 515 Y C -1.108 174.891 175.900 0.164 0.000 1.114 515 Y CA -1.708 56.461 58.100 0.115 0.000 1.182 515 Y CB 1.008 39.513 38.460 0.074 0.000 1.305 515 Y HN 0.423 nan 8.280 nan 0.000 0.502 516 F N 1.297 121.492 119.950 0.410 0.000 2.612 516 F HA 0.747 5.273 4.527 -0.000 0.000 0.332 516 F C -0.087 176.039 175.800 0.543 0.000 1.167 516 F CA -0.841 57.392 58.000 0.387 0.000 0.970 516 F CB 1.499 40.658 39.000 0.266 0.000 1.234 516 F HN 0.949 nan 8.300 nan 0.000 0.453 517 G N 1.938 110.998 108.800 0.435 0.000 2.932 517 G HA2 0.639 4.599 3.960 -0.000 0.000 0.283 517 G HA3 0.639 4.599 3.960 -0.000 0.000 0.283 517 G C -1.296 173.461 174.900 -0.238 0.000 1.336 517 G CA -0.669 44.564 45.100 0.222 0.000 1.056 517 G HN 0.629 nan 8.290 nan 0.000 0.522 518 T N -2.090 112.141 114.554 -0.537 0.000 2.812 518 T HA 0.640 4.990 4.350 -0.000 0.000 0.294 518 T C -1.065 173.368 174.700 -0.445 0.000 1.159 518 T CA 0.164 61.840 62.100 -0.706 0.000 1.008 518 T CB 1.377 69.412 68.868 -1.389 0.000 1.289 518 T HN 1.263 nan 8.240 nan 0.000 0.514 519 A N 2.598 125.108 122.820 -0.517 0.000 2.276 519 A HA 0.703 5.023 4.320 -0.000 0.000 0.316 519 A C -0.444 176.865 177.584 -0.459 0.000 1.229 519 A CA -0.602 51.025 52.037 -0.683 0.000 0.851 519 A CB 0.058 18.156 19.000 -1.504 0.000 1.165 519 A HN 0.654 nan 8.150 nan 0.000 0.513 520 I N 2.092 122.470 120.570 -0.320 0.000 2.359 520 I HA 0.463 4.633 4.170 -0.000 0.000 0.294 520 I C 0.586 176.603 176.117 -0.167 0.000 0.987 520 I CA -0.228 60.960 61.300 -0.187 0.000 1.225 520 I CB 1.303 39.191 38.000 -0.186 0.000 1.366 520 I HN 0.700 nan 8.210 nan 0.000 0.466 521 A N 4.346 127.087 122.820 -0.131 0.000 2.258 521 A HA 0.442 4.762 4.320 -0.000 0.000 0.316 521 A C 1.074 178.530 177.584 -0.212 0.000 1.279 521 A CA -0.292 51.637 52.037 -0.180 0.000 0.876 521 A CB 0.632 19.499 19.000 -0.222 0.000 1.170 521 A HN 0.834 nan 8.150 nan 0.000 0.520 522 S N 2.599 118.218 115.700 -0.136 0.000 2.383 522 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 522 S C 1.714 176.223 174.600 -0.153 0.000 1.030 522 S CA 1.590 59.718 58.200 -0.120 0.000 1.002 522 S CB -0.589 62.593 63.200 -0.031 0.000 0.829 522 S HN 1.203 nan 8.310 nan 0.000 0.467 523 G N 1.057 109.765 108.800 -0.154 0.000 2.625 523 G HA2 0.017 3.977 3.960 -0.000 0.000 0.214 523 G HA3 0.017 3.977 3.960 -0.000 0.000 0.214 523 G C 1.302 176.058 174.900 -0.240 0.000 1.132 523 G CA 0.226 45.234 45.100 -0.154 0.000 0.782 523 G HN 0.610 nan 8.290 nan 0.000 0.538 524 K N -0.434 119.726 120.400 -0.399 0.000 2.358 524 K HA 0.343 4.663 4.320 -0.000 0.000 0.200 524 K C 1.800 178.085 176.600 -0.525 0.000 1.030 524 K CA -0.334 55.573 56.287 -0.633 0.000 1.097 524 K CB 0.304 32.029 32.500 -1.292 0.000 0.862 524 K HN 0.199 nan 8.250 nan 0.000 0.534 525 L N 0.332 121.352 121.223 -0.338 0.000 2.456 525 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 525 L C 1.965 178.780 176.870 -0.091 0.000 1.148 525 L CA 1.023 55.726 54.840 -0.228 0.000 0.825 525 L CB -0.309 41.581 42.059 -0.281 0.000 0.937 525 L HN 0.297 nan 8.230 nan 0.000 0.450 526 G N -1.591 107.155 108.800 -0.092 0.000 2.985 526 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.209 526 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.209 526 G C 0.324 175.211 174.900 -0.022 0.000 1.165 526 G CA -0.167 44.913 45.100 -0.035 0.000 0.776 526 G HN 0.171 nan 8.290 nan 0.000 0.541 527 D N 0.565 120.941 120.400 -0.039 0.000 2.411 527 D HA 0.282 4.922 4.640 -0.000 0.000 0.225 527 D C 1.319 177.657 176.300 0.064 0.000 1.156 527 D CA -0.201 53.797 54.000 -0.003 0.000 0.874 527 D CB 1.177 41.952 40.800 -0.042 0.000 1.034 527 D HN -0.055 nan 8.370 nan 0.000 0.502 528 S N 2.649 118.379 115.700 0.050 0.000 2.374 528 S HA -0.222 4.248 4.470 -0.000 0.000 0.227 528 S C 1.940 176.574 174.600 0.056 0.000 1.037 528 S CA 1.412 59.647 58.200 0.059 0.000 1.024 528 S CB 0.001 63.224 63.200 0.038 0.000 0.861 528 S HN 0.709 nan 8.310 nan 0.000 0.456 529 A N 0.266 123.114 122.820 0.047 0.000 1.902 529 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 529 A C 1.934 179.536 177.584 0.030 0.000 1.181 529 A CA 1.644 53.697 52.037 0.027 0.000 0.623 529 A CB -0.925 18.090 19.000 0.026 0.000 0.818 529 A HN 0.595 nan 8.150 nan 0.000 0.443 530 Y N 1.728 121.986 120.300 -0.070 0.000 2.089 530 Y HA -0.248 4.302 4.550 -0.000 0.000 0.282 530 Y C 2.996 178.847 175.900 -0.081 0.000 1.139 530 Y CA 2.882 60.923 58.100 -0.098 0.000 1.123 530 Y CB -0.741 37.647 38.460 -0.120 0.000 0.980 530 Y HN 0.443 nan 8.280 nan 0.000 0.493 531 T N -3.396 111.216 114.554 0.095 0.000 2.833 531 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 531 T C 1.810 176.587 174.700 0.127 0.000 1.054 531 T CA 1.795 63.969 62.100 0.122 0.000 1.135 531 T CB -1.131 67.897 68.868 0.267 0.000 0.869 531 T HN 0.364 nan 8.240 nan 0.000 0.466 532 T N 2.216 116.797 114.554 0.045 0.000 2.684 532 T HA 0.043 4.393 4.350 -0.000 0.000 0.267 532 T C 1.909 176.566 174.700 -0.072 0.000 1.036 532 T CA 1.533 63.633 62.100 0.001 0.000 1.148 532 T CB -0.452 68.403 68.868 -0.021 0.000 0.863 532 T HN 0.418 nan 8.240 nan 0.000 0.436 533 I N 1.139 121.604 120.570 -0.176 0.000 2.163 533 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 533 I C 2.972 178.937 176.117 -0.253 0.000 1.081 533 I CA 1.113 62.206 61.300 -0.345 0.000 1.353 533 I CB -0.569 37.063 38.000 -0.613 0.000 1.054 533 I HN 0.187 nan 8.210 nan 0.000 0.407 534 A N -0.078 122.650 122.820 -0.154 0.000 1.883 534 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 534 A C 2.510 180.305 177.584 0.352 0.000 1.186 534 A CA 2.441 54.568 52.037 0.151 0.000 0.624 534 A CB -0.911 18.012 19.000 -0.129 0.000 0.822 534 A HN 0.409 nan 8.150 nan 0.000 0.444 535 S N -1.002 114.888 115.700 0.316 0.000 2.383 535 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 535 S C 2.218 176.820 174.600 0.002 0.000 1.026 535 S CA 1.461 59.740 58.200 0.133 0.000 0.981 535 S CB -0.364 62.864 63.200 0.047 0.000 0.818 535 S HN 0.623 nan 8.310 nan 0.000 0.472 536 R N 0.320 120.796 120.500 -0.040 0.000 2.073 536 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 536 R C 1.768 177.983 176.300 -0.141 0.000 1.120 536 R CA 1.540 57.587 56.100 -0.088 0.000 0.967 536 R CB -0.136 30.104 30.300 -0.099 0.000 0.862 536 R HN 0.372 nan 8.270 nan 0.000 0.436 537 E N -0.494 119.529 120.200 -0.294 0.000 2.318 537 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 537 E C -0.240 175.994 176.600 -0.610 0.000 0.998 537 E CA 0.454 56.531 56.400 -0.537 0.000 0.859 537 E CB 0.298 29.474 29.700 -0.875 0.000 0.812 537 E HN 0.148 nan 8.360 nan 0.000 0.492 538 F N 1.384 121.407 119.950 0.121 0.000 2.546 538 F HA 0.251 4.778 4.527 -0.000 0.000 0.320 538 F C 0.918 176.782 175.800 0.106 0.000 1.076 538 F CA -1.210 56.893 58.000 0.171 0.000 0.928 538 F CB 0.942 40.055 39.000 0.189 0.000 1.189 538 F HN -0.199 nan 8.300 nan 0.000 0.465 539 N N 0.536 119.424 118.700 0.314 0.000 2.200 539 N HA 0.321 5.061 4.740 -0.000 0.000 0.224 539 N C -0.638 174.922 175.510 0.085 0.000 1.179 539 N CA -0.070 53.072 53.050 0.154 0.000 0.877 539 N CB 0.737 39.303 38.487 0.133 0.000 1.072 539 N HN 0.564 nan 8.380 nan 0.000 0.519 540 M N 0.547 120.212 119.600 0.108 0.000 2.378 540 M HA 0.557 5.037 4.480 -0.000 0.000 0.289 540 M C -2.142 174.129 176.300 -0.047 0.000 1.136 540 M CA -0.844 54.400 55.300 -0.092 0.000 0.917 540 M CB 2.395 34.777 32.600 -0.363 0.000 1.669 540 M HN -0.166 nan 8.290 nan 0.000 0.461 541 V N 3.176 123.033 119.914 -0.094 0.000 2.656 541 V HA 0.792 4.912 4.120 -0.000 0.000 0.307 541 V C -0.660 175.362 176.094 -0.119 0.000 1.051 541 V CA -0.501 61.758 62.300 -0.068 0.000 0.893 541 V CB 2.496 34.344 31.823 0.042 0.000 0.999 541 V HN 0.904 nan 8.190 nan 0.000 0.426 542 T N 3.308 117.780 114.554 -0.136 0.000 2.841 542 T HA 0.646 4.996 4.350 -0.000 0.000 0.283 542 T C -0.068 174.552 174.700 -0.134 0.000 1.000 542 T CA -0.304 61.725 62.100 -0.117 0.000 0.977 542 T CB 1.693 70.527 68.868 -0.057 0.000 0.979 542 T HN 0.930 nan 8.240 nan 0.000 0.446 543 A N 1.961 124.752 122.820 -0.048 0.000 2.404 543 A HA 0.285 4.605 4.320 -0.000 0.000 0.273 543 A C 1.362 178.942 177.584 -0.006 0.000 1.144 543 A CA -0.350 51.675 52.037 -0.019 0.000 0.806 543 A CB -0.063 18.975 19.000 0.064 0.000 1.080 543 A HN 1.068 nan 8.150 nan 0.000 0.509 544 E N 2.287 122.390 120.200 -0.162 0.000 2.160 544 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 544 E C 0.652 177.341 176.600 0.148 0.000 0.991 544 E CA 1.822 58.099 56.400 -0.206 0.000 0.810 544 E CB 0.084 29.559 29.700 -0.375 0.000 0.742 544 E HN 0.805 nan 8.360 nan 0.000 0.466 545 N N -1.321 117.458 118.700 0.131 0.000 1.983 545 N HA -0.021 4.719 4.740 -0.000 0.000 0.234 545 N C 0.674 176.288 175.510 0.173 0.000 1.339 545 N CA 0.185 53.347 53.050 0.185 0.000 0.826 545 N CB 0.306 38.870 38.487 0.129 0.000 1.156 545 N HN -0.015 nan 8.380 nan 0.000 0.468 546 E N 0.769 121.056 120.200 0.144 0.000 2.401 546 E HA 0.075 4.425 4.350 -0.000 0.000 0.199 546 E C 1.106 177.850 176.600 0.239 0.000 1.023 546 E CA 0.932 57.431 56.400 0.165 0.000 0.859 546 E CB -0.013 29.773 29.700 0.143 0.000 0.780 546 E HN 0.346 nan 8.360 nan 0.000 0.523 547 M N -0.197 119.563 119.600 0.265 0.000 2.405 547 M HA 0.157 4.637 4.480 -0.000 0.000 0.292 547 M C -0.085 176.438 176.300 0.371 0.000 1.111 547 M CA -0.100 55.416 55.300 0.361 0.000 0.979 547 M CB 0.654 33.450 32.600 0.326 0.000 1.426 547 M HN -0.159 nan 8.290 nan 0.000 0.509 548 K N 0.465 121.040 120.400 0.291 0.000 2.118 548 K HA 0.288 4.608 4.320 -0.000 0.000 0.240 548 K C 1.109 177.870 176.600 0.268 0.000 1.035 548 K CA -0.301 56.144 56.287 0.264 0.000 0.899 548 K CB 1.207 33.858 32.500 0.250 0.000 1.085 548 K HN 0.070 nan 8.250 nan 0.000 0.498 549 I N 1.256 121.928 120.570 0.170 0.000 2.163 549 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 549 I C 2.030 178.145 176.117 -0.004 0.000 1.085 549 I CA 1.528 62.808 61.300 -0.034 0.000 1.347 549 I CB -0.547 37.255 38.000 -0.332 0.000 1.044 549 I HN 0.736 nan 8.210 nan 0.000 0.408 550 D N 1.787 122.166 120.400 -0.035 0.000 2.144 550 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 550 D C 2.007 178.342 176.300 0.058 0.000 0.978 550 D CA 1.549 55.534 54.000 -0.025 0.000 0.833 550 D CB -0.347 40.411 40.800 -0.071 0.000 0.961 550 D HN 0.358 nan 8.370 nan 0.000 0.470 551 A N 0.541 123.417 122.820 0.094 0.000 1.970 551 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 551 A C 2.325 179.965 177.584 0.095 0.000 1.170 551 A CA 2.023 54.119 52.037 0.099 0.000 0.645 551 A CB -0.816 18.259 19.000 0.126 0.000 0.816 551 A HN 0.451 nan 8.150 nan 0.000 0.447 552 T N -3.257 111.401 114.554 0.173 0.000 3.067 552 T HA 0.154 4.504 4.350 -0.000 0.000 0.257 552 T C 0.607 175.341 174.700 0.056 0.000 1.105 552 T CA 0.913 63.072 62.100 0.100 0.000 1.104 552 T CB 0.080 69.150 68.868 0.338 0.000 0.925 552 T HN 0.453 nan 8.240 nan 0.000 0.498 553 E N 1.710 122.016 120.200 0.176 0.000 3.284 553 E HA 0.218 4.568 4.350 -0.000 0.000 0.277 553 E C -2.162 174.561 176.600 0.204 0.000 1.218 553 E CA -1.894 54.527 56.400 0.035 0.000 0.925 553 E CB 1.389 31.180 29.700 0.152 0.000 1.409 553 E HN 0.087 nan 8.360 nan 0.000 0.388 554 P HA -0.157 nan 4.420 nan 0.000 0.219 554 P C -0.031 177.396 177.300 0.212 0.000 1.146 554 P CA 1.033 64.221 63.100 0.147 0.000 0.808 554 P CB 0.435 32.151 31.700 0.027 0.000 0.779 555 Q N -0.859 118.882 119.800 -0.099 0.000 2.389 555 Q HA 0.300 4.640 4.340 -0.000 0.000 0.277 555 Q C -0.357 174.978 176.000 -1.109 0.000 1.082 555 Q CA -1.020 54.465 55.803 -0.530 0.000 0.810 555 Q CB 2.463 31.006 28.738 -0.325 0.000 1.374 555 Q HN -0.011 nan 8.270 nan 0.000 0.422 556 R N -0.044 119.337 120.500 -1.866 0.000 2.486 556 R HA 0.162 4.502 4.340 -0.000 0.000 0.303 556 R C 0.923 176.706 176.300 -0.862 0.000 0.958 556 R CA 1.815 56.844 56.100 -1.785 0.000 1.077 556 R CB -0.357 29.122 30.300 -1.369 0.000 0.921 556 R HN 0.929 nan 8.270 nan 0.000 0.406 557 G N 2.899 111.256 108.800 -0.739 0.000 2.179 557 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 557 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 557 G C 0.047 174.682 174.900 -0.442 0.000 0.977 557 G CA 0.468 45.299 45.100 -0.449 0.000 0.641 557 G HN 0.613 nan 8.290 nan 0.000 0.533 558 Q N 0.174 119.626 119.800 -0.580 0.000 2.462 558 Q HA 0.626 4.966 4.340 -0.000 0.000 0.247 558 Q C -0.548 175.173 176.000 -0.465 0.000 1.044 558 Q CA -0.840 54.733 55.803 -0.382 0.000 0.803 558 Q CB 0.092 28.655 28.738 -0.291 0.000 1.190 558 Q HN 0.200 nan 8.270 nan 0.000 0.507 559 F N 2.065 121.911 119.950 -0.173 0.000 2.389 559 F HA 0.368 4.895 4.527 -0.000 0.000 0.337 559 F C 0.779 176.293 175.800 -0.477 0.000 1.112 559 F CA -0.310 57.480 58.000 -0.350 0.000 1.192 559 F CB 0.930 39.728 39.000 -0.336 0.000 1.185 559 F HN 0.439 nan 8.300 nan 0.000 0.552 560 N N 2.373 120.743 118.700 -0.550 0.000 2.519 560 N HA 0.217 4.957 4.740 -0.000 0.000 0.291 560 N C -1.118 174.021 175.510 -0.619 0.000 1.107 560 N CA -0.328 52.465 53.050 -0.429 0.000 0.904 560 N CB 0.761 39.137 38.487 -0.185 0.000 1.500 560 N HN 0.385 nan 8.380 nan 0.000 0.510 561 F N 1.119 121.024 119.950 -0.076 0.000 2.654 561 F HA 0.152 4.679 4.527 -0.000 0.000 0.303 561 F C 2.214 178.043 175.800 0.047 0.000 1.099 561 F CA -0.246 57.699 58.000 -0.092 0.000 1.270 561 F CB 0.154 38.796 39.000 -0.597 0.000 1.024 561 F HN 0.461 nan 8.300 nan 0.000 0.548 562 S N 0.697 116.485 115.700 0.147 0.000 2.353 562 S HA -0.274 4.196 4.470 -0.000 0.000 0.222 562 S C 2.380 177.083 174.600 0.171 0.000 1.035 562 S CA 1.244 59.533 58.200 0.149 0.000 1.025 562 S CB -0.868 62.385 63.200 0.087 0.000 0.902 562 S HN 0.274 nan 8.310 nan 0.000 0.440 563 A N 2.020 124.929 122.820 0.149 0.000 1.898 563 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 563 A C 2.444 180.153 177.584 0.209 0.000 1.181 563 A CA 1.568 53.693 52.037 0.146 0.000 0.620 563 A CB -1.767 17.300 19.000 0.112 0.000 0.819 563 A HN 0.668 nan 8.150 nan 0.000 0.442 564 G N -0.185 108.794 108.800 0.299 0.000 2.418 564 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 564 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 564 G C 1.075 176.240 174.900 0.441 0.000 1.158 564 G CA 1.246 46.584 45.100 0.397 0.000 0.771 564 G HN 0.451 nan 8.290 nan 0.000 0.545 565 D N 0.187 120.869 120.400 0.470 0.000 2.219 565 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 565 D C 2.658 179.175 176.300 0.362 0.000 0.970 565 D CA 0.382 54.663 54.000 0.468 0.000 0.851 565 D CB -0.142 40.898 40.800 0.400 0.000 0.943 565 D HN 0.269 nan 8.370 nan 0.000 0.488 566 R N 0.108 120.768 120.500 0.267 0.000 2.081 566 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 566 R C 2.253 178.686 176.300 0.222 0.000 1.131 566 R CA 0.700 56.925 56.100 0.208 0.000 0.960 566 R CB -0.279 30.103 30.300 0.137 0.000 0.856 566 R HN 0.096 nan 8.270 nan 0.000 0.436 567 V N 0.069 120.108 119.914 0.207 0.000 2.270 567 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 567 V C 1.932 178.175 176.094 0.249 0.000 1.043 567 V CA 1.719 64.129 62.300 0.184 0.000 1.014 567 V CB -0.686 31.207 31.823 0.116 0.000 0.645 567 V HN 0.269 nan 8.190 nan 0.000 0.447 568 Y N 2.129 122.518 120.300 0.149 0.000 2.081 568 Y HA -0.310 4.240 4.550 -0.000 0.000 0.280 568 Y C 2.581 178.566 175.900 0.141 0.000 1.163 568 Y CA 2.283 60.452 58.100 0.115 0.000 1.135 568 Y CB -0.472 38.077 38.460 0.148 0.000 0.970 568 Y HN 0.293 nan 8.280 nan 0.000 0.498 569 N N -0.585 118.239 118.700 0.206 0.000 2.149 569 N HA -0.249 4.491 4.740 -0.000 0.000 0.188 569 N C 1.579 177.105 175.510 0.028 0.000 1.019 569 N CA 1.660 54.768 53.050 0.096 0.000 0.857 569 N CB -1.139 37.469 38.487 0.202 0.000 0.997 569 N HN 0.670 nan 8.380 nan 0.000 0.426 570 W N 1.933 123.208 121.300 -0.043 0.000 2.381 570 W HA -0.015 4.645 4.660 0.000 0.000 0.301 570 W C 2.363 178.825 176.519 -0.096 0.000 1.205 570 W CA 2.018 59.338 57.345 -0.042 0.000 1.285 570 W CB -0.323 29.136 29.460 -0.001 0.000 1.133 570 W HN 0.075 nan 8.180 nan 0.000 0.521 571 A N 0.336 123.189 122.820 0.054 0.000 1.858 571 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 571 A C 2.112 179.482 177.584 -0.355 0.000 1.190 571 A CA 3.164 55.111 52.037 -0.150 0.000 0.617 571 A CB -1.630 17.325 19.000 -0.076 0.000 0.827 571 A HN 0.535 nan 8.150 nan 0.000 0.443 572 V N -1.754 117.907 119.914 -0.421 0.000 2.343 572 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 572 V C 2.428 178.351 176.094 -0.285 0.000 1.051 572 V CA 2.442 64.523 62.300 -0.364 0.000 1.036 572 V CB -1.433 30.138 31.823 -0.420 0.000 0.654 572 V HN 0.662 nan 8.190 nan 0.000 0.451 573 Q N 0.921 120.546 119.800 -0.291 0.000 2.234 573 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 573 Q C 1.457 177.259 176.000 -0.329 0.000 0.980 573 Q CA 1.942 57.590 55.803 -0.258 0.000 0.869 573 Q CB -0.182 28.418 28.738 -0.230 0.000 0.912 573 Q HN 0.754 nan 8.270 nan 0.000 0.436 574 N N -0.515 117.893 118.700 -0.488 0.000 2.320 574 N HA 0.117 4.857 4.740 -0.000 0.000 0.237 574 N C -0.194 175.120 175.510 -0.327 0.000 1.129 574 N CA 0.735 53.488 53.050 -0.494 0.000 0.854 574 N CB 1.067 39.020 38.487 -0.890 0.000 1.083 574 N HN 0.378 nan 8.380 nan 0.000 0.504 575 G N 1.365 110.017 108.800 -0.247 0.000 2.305 575 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 575 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 575 G C -0.153 174.663 174.900 -0.140 0.000 1.036 575 G CA 0.565 45.566 45.100 -0.165 0.000 0.887 575 G HN 0.278 nan 8.290 nan 0.000 0.505 576 K N -0.240 120.056 120.400 -0.173 0.000 2.259 576 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 576 K C 0.653 177.171 176.600 -0.136 0.000 0.942 576 K CA -0.646 55.570 56.287 -0.118 0.000 0.816 576 K CB 1.549 33.998 32.500 -0.085 0.000 1.155 576 K HN 0.350 nan 8.250 nan 0.000 0.428 577 Q N 0.477 120.204 119.800 -0.121 0.000 2.316 577 Q HA 0.496 4.836 4.340 -0.000 0.000 0.215 577 Q C -0.702 175.197 176.000 -0.167 0.000 1.020 577 Q CA -0.824 54.895 55.803 -0.139 0.000 0.970 577 Q CB 1.356 30.003 28.738 -0.152 0.000 1.187 577 Q HN 0.234 nan 8.270 nan 0.000 0.546 578 V N 1.044 120.858 119.914 -0.167 0.000 2.709 578 V HA 0.409 4.529 4.120 -0.000 0.000 0.308 578 V C -0.738 175.189 176.094 -0.277 0.000 1.062 578 V CA -0.816 61.371 62.300 -0.188 0.000 0.901 578 V CB 1.972 33.732 31.823 -0.104 0.000 1.003 578 V HN 0.646 nan 8.190 nan 0.000 0.425 579 R N 2.358 122.686 120.500 -0.287 0.000 2.255 579 R HA 0.560 4.900 4.340 -0.000 0.000 0.326 579 R C 0.352 176.403 176.300 -0.416 0.000 0.986 579 R CA -0.440 55.471 56.100 -0.314 0.000 0.847 579 R CB 1.789 31.972 30.300 -0.196 0.000 1.111 579 R HN 0.917 nan 8.270 nan 0.000 0.452 580 G N 1.597 109.913 108.800 -0.807 0.000 2.380 580 G HA2 0.156 4.116 3.960 -0.000 0.000 0.262 580 G HA3 0.156 4.116 3.960 -0.000 0.000 0.262 580 G C -0.879 173.899 174.900 -0.204 0.000 1.243 580 G CA 0.067 44.425 45.100 -1.236 0.000 0.865 580 G HN 0.656 nan 8.290 nan 0.000 0.513 581 H N -0.073 118.999 119.070 0.003 0.000 3.096 581 H HA 0.581 5.137 4.556 -0.000 0.000 0.335 581 H C -0.809 174.678 175.328 0.265 0.000 0.990 581 H CA -0.265 55.877 56.048 0.157 0.000 1.393 581 H CB 2.004 31.810 29.762 0.073 0.000 1.742 581 H HN 0.661 nan 8.280 nan 0.000 0.501 582 T N 4.536 119.077 114.554 -0.021 0.000 2.894 582 T HA 0.284 4.634 4.350 -0.000 0.000 0.309 582 T C 0.583 175.376 174.700 0.155 0.000 1.208 582 T CA -0.670 61.407 62.100 -0.038 0.000 1.016 582 T CB 1.127 69.632 68.868 -0.606 0.000 1.192 582 T HN 0.550 nan 8.240 nan 0.000 0.491 583 L N 1.862 123.165 121.223 0.134 0.000 2.162 583 L HA 0.501 4.841 4.340 -0.000 0.000 0.205 583 L C 1.232 178.231 176.870 0.214 0.000 1.086 583 L CA 0.403 55.328 54.840 0.142 0.000 0.778 583 L CB -0.170 41.839 42.059 -0.082 0.000 0.928 583 L HN 0.676 nan 8.230 nan 0.000 0.446 584 A N -1.120 121.816 122.820 0.193 0.000 2.353 584 A HA 0.555 4.875 4.320 -0.000 0.000 0.299 584 A C -2.009 175.831 177.584 0.427 0.000 1.089 584 A CA -0.198 52.020 52.037 0.301 0.000 0.736 584 A CB 1.025 20.268 19.000 0.404 0.000 1.195 584 A HN 0.182 nan 8.150 nan 0.000 0.447 585 W N 3.911 125.270 121.300 0.098 0.000 3.419 585 W HA 0.352 5.012 4.660 -0.000 0.000 0.298 585 W C 0.514 177.007 176.519 -0.044 0.000 1.260 585 W CA -0.841 56.551 57.345 0.078 0.000 1.199 585 W CB 0.812 30.246 29.460 -0.043 0.000 1.349 585 W HN 0.826 nan 8.180 nan 0.000 0.557 586 H N 1.079 120.187 119.070 0.064 0.000 2.529 586 H HA 0.144 4.700 4.556 -0.000 0.000 0.277 586 H C 0.161 175.198 175.328 -0.485 0.000 0.999 586 H CA 1.055 56.980 56.048 -0.205 0.000 1.256 586 H CB 0.089 29.800 29.762 -0.084 0.000 1.402 586 H HN 0.087 nan 8.280 nan 0.000 0.566 587 S N 0.049 114.659 115.700 -1.818 0.000 2.651 587 S HA 0.187 4.657 4.470 -0.000 0.000 0.291 587 S C 0.020 173.841 174.600 -1.298 0.000 1.141 587 S CA -0.441 56.754 58.200 -1.675 0.000 1.027 587 S CB 0.915 62.857 63.200 -2.097 0.000 1.043 587 S HN 0.544 nan 8.310 nan 0.000 0.530 588 Q N 0.621 119.951 119.800 -0.784 0.000 2.457 588 Q HA -0.205 4.135 4.340 -0.000 0.000 0.283 588 Q C -0.627 175.156 176.000 -0.362 0.000 1.234 588 Q CA 0.716 56.244 55.803 -0.460 0.000 0.877 588 Q CB -1.210 27.316 28.738 -0.353 0.000 1.250 588 Q HN 0.666 nan 8.270 nan 0.000 0.481 589 Q N 1.070 120.627 119.800 -0.404 0.000 2.259 589 Q HA 0.335 4.675 4.340 -0.000 0.000 0.249 589 Q C -1.943 173.811 176.000 -0.409 0.000 0.914 589 Q CA -1.749 53.805 55.803 -0.414 0.000 0.904 589 Q CB 0.813 29.289 28.738 -0.436 0.000 1.213 589 Q HN 0.134 nan 8.270 nan 0.000 0.428 590 P HA -0.071 nan 4.420 nan 0.000 0.272 590 P C 0.371 177.383 177.300 -0.481 0.000 1.240 590 P CA 0.100 62.942 63.100 -0.429 0.000 0.791 590 P CB 0.619 32.055 31.700 -0.440 0.000 0.978 591 G N 1.596 110.253 108.800 -0.239 0.000 2.469 591 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 591 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 591 G C 1.399 176.214 174.900 -0.142 0.000 1.150 591 G CA 0.528 45.535 45.100 -0.155 0.000 0.763 591 G HN 0.771 nan 8.290 nan 0.000 0.561 592 W N -0.139 121.111 121.300 -0.084 0.000 2.392 592 W HA 0.041 4.701 4.660 -0.000 0.000 0.279 592 W C 1.986 178.454 176.519 -0.085 0.000 1.225 592 W CA 1.005 58.302 57.345 -0.080 0.000 1.233 592 W CB -0.693 28.716 29.460 -0.085 0.000 1.122 592 W HN 0.299 nan 8.180 nan 0.000 0.561 593 M N 1.176 120.253 119.600 -0.872 0.000 2.394 593 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 593 M C 2.356 178.422 176.300 -0.389 0.000 1.098 593 M CA 1.282 56.111 55.300 -0.784 0.000 1.149 593 M CB -0.191 31.688 32.600 -1.202 0.000 1.369 593 M HN -0.065 nan 8.290 nan 0.000 0.450 594 Q N -0.487 119.104 119.800 -0.348 0.000 2.291 594 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 594 Q C 1.652 177.567 176.000 -0.143 0.000 0.976 594 Q CA 1.570 57.237 55.803 -0.227 0.000 0.875 594 Q CB 0.007 28.625 28.738 -0.201 0.000 0.927 594 Q HN 0.468 nan 8.270 nan 0.000 0.450 595 S N 0.206 115.843 115.700 -0.105 0.000 2.527 595 S HA 0.088 4.558 4.470 -0.000 0.000 0.222 595 S C 0.674 175.254 174.600 -0.033 0.000 0.985 595 S CA 0.184 58.356 58.200 -0.047 0.000 0.921 595 S CB 0.134 63.334 63.200 -0.001 0.000 0.772 595 S HN 0.202 nan 8.310 nan 0.000 0.529 596 L N 1.820 123.014 121.223 -0.049 0.000 2.399 596 L HA 0.552 4.892 4.340 -0.000 0.000 0.265 596 L C 0.349 177.185 176.870 -0.057 0.000 1.089 596 L CA -0.471 54.352 54.840 -0.028 0.000 0.802 596 L CB 1.194 43.253 42.059 -0.001 0.000 1.180 596 L HN 0.153 nan 8.230 nan 0.000 0.454 597 S N -0.336 115.340 115.700 -0.039 0.000 2.615 597 S HA 0.809 5.279 4.470 -0.000 0.000 0.269 597 S C -0.143 174.438 174.600 -0.031 0.000 1.161 597 S CA -0.267 57.902 58.200 -0.051 0.000 0.817 597 S CB 1.341 64.513 63.200 -0.047 0.000 1.131 597 S HN 1.256 nan 8.310 nan 0.000 0.467 598 G N 2.002 110.781 108.800 -0.035 0.000 2.574 598 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.282 598 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.282 598 G C 1.074 175.974 174.900 0.001 0.000 1.257 598 G CA 1.468 46.560 45.100 -0.014 0.000 0.956 598 G HN 2.216 nan 8.290 nan 0.000 0.560 599 S N -1.595 114.113 115.700 0.013 0.000 2.400 599 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 599 S C 2.300 176.919 174.600 0.032 0.000 1.025 599 S CA 2.720 60.936 58.200 0.026 0.000 0.993 599 S CB -0.761 62.455 63.200 0.025 0.000 0.808 599 S HN 1.587 nan 8.310 nan 0.000 0.478 600 T N 1.408 115.978 114.554 0.027 0.000 2.746 600 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 600 T C 1.596 176.328 174.700 0.053 0.000 1.039 600 T CA 1.273 63.397 62.100 0.039 0.000 1.142 600 T CB -0.532 68.357 68.868 0.036 0.000 0.866 600 T HN 0.444 nan 8.240 nan 0.000 0.444 601 L N 0.362 121.601 121.223 0.027 0.000 2.027 601 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 601 L C 2.824 179.712 176.870 0.031 0.000 1.074 601 L CA 1.620 56.467 54.840 0.011 0.000 0.745 601 L CB -0.401 41.627 42.059 -0.052 0.000 0.898 601 L HN 0.208 nan 8.230 nan 0.000 0.433 602 R N 0.251 120.771 120.500 0.033 0.000 2.096 602 R HA -0.279 4.060 4.340 -0.000 0.000 0.240 602 R C 2.199 178.554 176.300 0.091 0.000 1.139 602 R CA 2.219 58.359 56.100 0.068 0.000 0.952 602 R CB -0.667 29.676 30.300 0.071 0.000 0.854 602 R HN 0.362 nan 8.270 nan 0.000 0.436 603 Q N -0.478 119.372 119.800 0.083 0.000 2.172 603 Q HA 0.128 4.468 4.340 -0.000 0.000 0.200 603 Q C 1.825 177.900 176.000 0.125 0.000 0.964 603 Q CA 1.817 57.675 55.803 0.092 0.000 0.855 603 Q CB -0.332 28.450 28.738 0.073 0.000 0.918 603 Q HN 0.424 nan 8.270 nan 0.000 0.444 604 A N 0.310 123.216 122.820 0.143 0.000 1.933 604 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 604 A C 2.111 179.838 177.584 0.237 0.000 1.175 604 A CA 1.585 53.754 52.037 0.221 0.000 0.628 604 A CB -0.667 18.504 19.000 0.285 0.000 0.814 604 A HN 0.578 nan 8.150 nan 0.000 0.444 605 M N -0.439 119.261 119.600 0.166 0.000 2.117 605 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 605 M C 1.901 178.324 176.300 0.205 0.000 1.065 605 M CA 1.854 57.258 55.300 0.175 0.000 1.114 605 M CB -0.320 32.368 32.600 0.147 0.000 1.361 605 M HN 0.430 nan 8.290 nan 0.000 0.408 606 I N 0.410 121.079 120.570 0.165 0.000 2.252 606 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 606 I C 1.777 177.978 176.117 0.140 0.000 1.102 606 I CA 1.201 62.578 61.300 0.129 0.000 1.385 606 I CB -0.706 37.354 38.000 0.100 0.000 1.064 606 I HN 0.279 nan 8.210 nan 0.000 0.414 607 D N -0.236 120.274 120.400 0.183 0.000 2.117 607 D HA -0.238 4.402 4.640 -0.000 0.000 0.197 607 D C 2.001 178.504 176.300 0.338 0.000 0.987 607 D CA 1.465 55.598 54.000 0.222 0.000 0.829 607 D CB -0.408 40.532 40.800 0.232 0.000 0.961 607 D HN 0.414 nan 8.370 nan 0.000 0.460 608 H N 0.435 119.691 119.070 0.310 0.000 2.321 608 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 608 H C 2.146 177.602 175.328 0.214 0.000 1.087 608 H CA 1.279 57.571 56.048 0.406 0.000 1.319 608 H CB -0.293 29.654 29.762 0.309 0.000 1.379 608 H HN 0.062 nan 8.280 nan 0.000 0.501 609 I N 0.212 120.847 120.570 0.108 0.000 2.163 609 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 609 I C 2.091 178.101 176.117 -0.179 0.000 1.085 609 I CA 1.322 62.570 61.300 -0.086 0.000 1.347 609 I CB -0.355 37.614 38.000 -0.051 0.000 1.044 609 I HN 0.372 nan 8.210 nan 0.000 0.408 610 N N 1.172 119.813 118.700 -0.098 0.000 2.084 610 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 610 N C 1.909 177.268 175.510 -0.251 0.000 1.030 610 N CA 1.747 54.716 53.050 -0.135 0.000 0.849 610 N CB -0.822 37.628 38.487 -0.062 0.000 1.012 610 N HN 0.445 nan 8.380 nan 0.000 0.423 611 G N 0.879 109.450 108.800 -0.381 0.000 2.421 611 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 611 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 611 G C 1.741 176.260 174.900 -0.635 0.000 1.171 611 G CA 0.908 45.461 45.100 -0.912 0.000 0.775 611 G HN 0.208 nan 8.290 nan 0.000 0.543 612 V N 0.956 120.626 119.914 -0.407 0.000 2.323 612 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 612 V C 2.892 178.907 176.094 -0.131 0.000 1.041 612 V CA 1.914 64.168 62.300 -0.078 0.000 1.025 612 V CB -0.394 31.408 31.823 -0.036 0.000 0.656 612 V HN 0.345 nan 8.190 nan 0.000 0.451 613 M N 0.313 119.738 119.600 -0.292 0.000 2.175 613 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 613 M C 2.291 178.523 176.300 -0.113 0.000 1.063 613 M CA 1.905 57.071 55.300 -0.225 0.000 1.119 613 M CB -0.843 31.533 32.600 -0.374 0.000 1.377 613 M HN 0.494 nan 8.290 nan 0.000 0.415 614 G N -0.769 107.915 108.800 -0.193 0.000 2.440 614 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 614 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 614 G C 1.185 175.937 174.900 -0.246 0.000 1.154 614 G CA 1.439 46.428 45.100 -0.186 0.000 0.767 614 G HN 0.480 nan 8.290 nan 0.000 0.552 615 H N -0.557 118.200 119.070 -0.521 0.000 2.353 615 H HA -0.047 4.509 4.556 -0.000 0.000 0.300 615 H C 1.483 176.372 175.328 -0.733 0.000 1.090 615 H CA 1.386 56.935 56.048 -0.831 0.000 1.327 615 H CB -0.119 28.567 29.762 -1.794 0.000 1.383 615 H HN 0.408 nan 8.280 nan 0.000 0.508 616 Y N 0.558 120.676 120.300 -0.303 0.000 2.468 616 Y HA 0.194 4.744 4.550 -0.000 0.000 0.268 616 Y C 0.720 176.556 175.900 -0.108 0.000 1.177 616 Y CA -0.335 57.621 58.100 -0.239 0.000 1.265 616 Y CB -0.189 38.286 38.460 0.025 0.000 1.103 616 Y HN 0.017 nan 8.280 nan 0.000 0.522 617 K N 0.810 121.210 120.400 0.000 0.000 2.477 617 K HA 0.037 4.357 4.320 -0.000 0.000 0.275 617 K C 1.271 177.883 176.600 0.020 0.000 1.054 617 K CA 1.304 57.605 56.287 0.023 0.000 1.135 617 K CB -0.314 32.160 32.500 -0.042 0.000 0.854 617 K HN 0.634 nan 8.250 nan 0.000 0.484 618 G N 3.667 112.506 108.800 0.064 0.000 2.184 618 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.264 618 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.264 618 G C 0.487 175.419 174.900 0.053 0.000 0.975 618 G CA 0.772 45.901 45.100 0.049 0.000 0.642 618 G HN 0.734 nan 8.290 nan 0.000 0.536 619 K N -0.702 119.736 120.400 0.063 0.000 2.373 619 K HA 0.358 4.678 4.320 -0.000 0.000 0.200 619 K C 0.421 177.068 176.600 0.078 0.000 1.054 619 K CA -0.116 56.224 56.287 0.087 0.000 1.065 619 K CB 0.933 33.434 32.500 0.002 0.000 0.886 619 K HN 0.315 nan 8.250 nan 0.000 0.546 620 I N 1.011 121.586 120.570 0.009 0.000 2.354 620 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 620 I C 1.144 177.195 176.117 -0.110 0.000 0.989 620 I CA -0.307 60.897 61.300 -0.161 0.000 1.188 620 I CB 1.111 38.828 38.000 -0.472 0.000 1.342 620 I HN -0.022 nan 8.210 nan 0.000 0.457 621 A N 6.319 129.055 122.820 -0.141 0.000 1.855 621 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 621 A C 0.811 178.360 177.584 -0.058 0.000 1.191 621 A CA 1.110 53.098 52.037 -0.083 0.000 0.613 621 A CB 0.025 18.954 19.000 -0.118 0.000 0.829 621 A HN 0.775 nan 8.150 nan 0.000 0.442 622 Q N -3.074 116.646 119.800 -0.134 0.000 2.397 622 Q HA 0.488 4.828 4.340 -0.000 0.000 0.275 622 Q C -2.012 173.911 176.000 -0.128 0.000 1.090 622 Q CA -0.331 55.446 55.803 -0.044 0.000 0.809 622 Q CB 2.189 30.921 28.738 -0.010 0.000 1.362 622 Q HN 0.563 nan 8.270 nan 0.000 0.431 623 W N 1.363 122.686 121.300 0.038 0.000 2.600 623 W HA 0.302 4.962 4.660 -0.000 0.000 0.325 623 W C -0.730 175.801 176.519 0.021 0.000 1.034 623 W CA -0.497 56.862 57.345 0.024 0.000 1.226 623 W CB 1.686 31.152 29.460 0.011 0.000 1.379 623 W HN 0.454 nan 8.180 nan 0.000 0.466 624 D N 3.708 124.317 120.400 0.349 0.000 2.483 624 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 624 D C 1.206 177.586 176.300 0.132 0.000 1.173 624 D CA 0.235 54.342 54.000 0.179 0.000 0.964 624 D CB 1.174 42.069 40.800 0.158 0.000 1.046 624 D HN 0.116 nan 8.370 nan 0.000 0.517 625 V N 1.781 121.701 119.914 0.010 0.000 2.255 625 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 625 V C 1.151 177.148 176.094 -0.162 0.000 1.051 625 V CA 1.134 63.298 62.300 -0.226 0.000 1.018 625 V CB -0.019 31.345 31.823 -0.765 0.000 0.641 625 V HN 0.262 nan 8.190 nan 0.000 0.445 626 V N 0.516 120.361 119.914 -0.116 0.000 2.604 626 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 626 V C -0.661 175.404 176.094 -0.049 0.000 1.043 626 V CA -0.700 61.645 62.300 0.075 0.000 0.888 626 V CB 1.759 33.722 31.823 0.233 0.000 0.995 626 V HN 0.461 nan 8.190 nan 0.000 0.429 627 N N 1.910 120.579 118.700 -0.052 0.000 2.284 627 N HA 0.368 5.108 4.740 -0.000 0.000 0.300 627 N C -0.294 175.217 175.510 0.002 0.000 1.047 627 N CA -0.543 52.305 53.050 -0.337 0.000 0.821 627 N CB 1.427 39.374 38.487 -0.900 0.000 1.337 627 N HN 0.744 nan 8.380 nan 0.000 0.482 628 E N 0.905 121.104 120.200 -0.001 0.000 2.199 628 E HA -0.262 4.088 4.350 -0.000 0.000 0.208 628 E C -0.129 176.788 176.600 0.528 0.000 1.310 628 E CA 0.568 57.172 56.400 0.340 0.000 0.709 628 E CB -1.343 28.752 29.700 0.658 0.000 1.127 628 E HN 0.568 nan 8.360 nan 0.000 0.354 629 A N -0.040 123.152 122.820 0.620 0.000 2.218 629 A HA 0.192 4.512 4.320 -0.000 0.000 0.209 629 A C 0.306 178.058 177.584 0.279 0.000 1.168 629 A CA 0.319 52.707 52.037 0.584 0.000 0.804 629 A CB 0.253 19.584 19.000 0.551 0.000 0.834 629 A HN 0.235 nan 8.150 nan 0.000 0.482 630 F N -0.518 119.558 119.950 0.210 0.000 2.425 630 F HA 0.485 5.012 4.527 -0.000 0.000 0.331 630 F C 1.056 176.879 175.800 0.037 0.000 1.085 630 F CA -0.787 57.268 58.000 0.092 0.000 1.028 630 F CB 1.449 40.479 39.000 0.051 0.000 1.177 630 F HN -0.057 nan 8.300 nan 0.000 0.487 631 S N 0.607 116.379 115.700 0.121 0.000 2.573 631 S HA 0.002 4.472 4.470 -0.000 0.000 0.277 631 S C 0.325 174.981 174.600 0.093 0.000 1.346 631 S CA -0.150 58.093 58.200 0.072 0.000 1.034 631 S CB 0.315 63.538 63.200 0.038 0.000 0.879 631 S HN 0.684 nan 8.310 nan 0.000 0.528 632 D N 0.360 120.813 120.400 0.087 0.000 2.440 632 D HA 0.155 4.795 4.640 -0.000 0.000 0.216 632 D C 0.699 177.056 176.300 0.095 0.000 1.150 632 D CA -0.039 54.034 54.000 0.121 0.000 0.832 632 D CB 0.174 41.104 40.800 0.217 0.000 0.992 632 D HN 0.681 nan 8.370 nan 0.000 0.502 633 D N -0.971 119.461 120.400 0.054 0.000 2.348 633 D HA 0.056 4.696 4.640 -0.000 0.000 0.216 633 D C 1.660 177.952 176.300 -0.014 0.000 0.970 633 D CA 0.953 54.966 54.000 0.021 0.000 0.889 633 D CB -0.169 40.637 40.800 0.011 0.000 0.912 633 D HN 0.143 nan 8.370 nan 0.000 0.524 634 G N -0.530 108.261 108.800 -0.016 0.000 2.179 634 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 634 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 634 G C 1.182 176.042 174.900 -0.066 0.000 0.990 634 G CA 0.742 45.789 45.100 -0.088 0.000 0.646 634 G HN 0.625 nan 8.290 nan 0.000 0.517 635 S N -0.679 115.012 115.700 -0.016 0.000 2.388 635 S HA 0.430 4.900 4.470 -0.000 0.000 0.223 635 S C 2.239 176.854 174.600 0.025 0.000 1.034 635 S CA 1.791 59.988 58.200 -0.005 0.000 0.963 635 S CB 0.217 63.419 63.200 0.004 0.000 0.827 635 S HN 2.331 nan 8.310 nan 0.000 0.481 636 G N 0.376 109.223 108.800 0.077 0.000 2.192 636 G HA2 0.038 3.998 3.960 -0.000 0.000 0.193 636 G HA3 0.038 3.998 3.960 -0.000 0.000 0.193 636 G C 0.358 175.404 174.900 0.243 0.000 0.999 636 G CA -0.117 45.068 45.100 0.142 0.000 0.659 636 G HN 0.993 nan 8.290 nan 0.000 0.503 637 G N -0.530 108.351 108.800 0.134 0.000 2.543 637 G HA2 0.582 4.542 3.960 -0.000 0.000 0.290 637 G HA3 0.582 4.542 3.960 -0.000 0.000 0.290 637 G C 0.113 174.936 174.900 -0.128 0.000 1.310 637 G CA -0.746 44.377 45.100 0.040 0.000 1.025 637 G HN 0.299 nan 8.290 nan 0.000 0.502 638 R N -0.036 120.278 120.500 -0.310 0.000 2.594 638 R HA 0.155 4.495 4.340 -0.000 0.000 0.272 638 R C 0.655 176.856 176.300 -0.166 0.000 1.074 638 R CA -0.454 55.379 56.100 -0.445 0.000 1.105 638 R CB 0.721 30.843 30.300 -0.297 0.000 1.008 638 R HN 0.614 nan 8.270 nan 0.000 0.472 639 R N 1.515 121.952 120.500 -0.106 0.000 2.537 639 R HA -0.070 4.270 4.340 -0.000 0.000 0.280 639 R C -0.562 175.704 176.300 -0.056 0.000 1.058 639 R CA -0.079 55.987 56.100 -0.056 0.000 1.057 639 R CB 0.364 30.624 30.300 -0.067 0.000 0.973 639 R HN 0.437 nan 8.270 nan 0.000 0.438 640 D N 2.735 123.096 120.400 -0.065 0.000 2.352 640 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 640 D C -1.043 175.204 176.300 -0.089 0.000 1.224 640 D CA 0.115 54.077 54.000 -0.063 0.000 0.879 640 D CB 0.606 41.378 40.800 -0.048 0.000 1.057 640 D HN 0.542 nan 8.370 nan 0.000 0.491 641 S N 2.543 118.178 115.700 -0.108 0.000 2.685 641 S HA 0.325 4.795 4.470 -0.000 0.000 0.282 641 S C 1.070 175.565 174.600 -0.176 0.000 1.159 641 S CA -0.825 57.297 58.200 -0.131 0.000 0.833 641 S CB 1.063 64.188 63.200 -0.126 0.000 1.151 641 S HN 0.346 nan 8.310 nan 0.000 0.485 642 N N 1.208 119.800 118.700 -0.179 0.000 2.205 642 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 642 N C 1.530 176.860 175.510 -0.301 0.000 1.015 642 N CA 1.501 54.435 53.050 -0.194 0.000 0.862 642 N CB -1.066 37.320 38.487 -0.168 0.000 0.986 642 N HN 0.650 nan 8.380 nan 0.000 0.429 643 L N -0.343 120.595 121.223 -0.475 0.000 2.017 643 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 643 L C 2.750 178.972 176.870 -1.079 0.000 1.073 643 L CA 1.413 55.721 54.840 -0.888 0.000 0.745 643 L CB -0.546 40.635 42.059 -1.463 0.000 0.894 643 L HN 0.221 nan 8.230 nan 0.000 0.432 644 Q N 0.566 119.905 119.800 -0.768 0.000 2.226 644 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 644 Q C 2.106 178.036 176.000 -0.116 0.000 0.975 644 Q CA 1.498 57.139 55.803 -0.271 0.000 0.866 644 Q CB -0.051 28.693 28.738 0.010 0.000 0.915 644 Q HN 0.306 nan 8.270 nan 0.000 0.440 645 R N -0.576 119.830 120.500 -0.157 0.000 2.280 645 R HA -0.009 4.331 4.340 -0.000 0.000 0.207 645 R C 1.952 178.217 176.300 -0.058 0.000 1.043 645 R CA 1.297 57.349 56.100 -0.080 0.000 1.006 645 R CB -0.207 30.044 30.300 -0.082 0.000 0.885 645 R HN 0.468 nan 8.270 nan 0.000 0.467 646 T N -2.353 112.147 114.554 -0.090 0.000 3.035 646 T HA 0.134 4.484 4.350 -0.000 0.000 0.268 646 T C 0.877 175.604 174.700 0.044 0.000 1.109 646 T CA 0.607 62.690 62.100 -0.029 0.000 1.119 646 T CB 0.413 69.258 68.868 -0.038 0.000 0.900 646 T HN 0.334 nan 8.240 nan 0.000 0.503 647 G N 0.635 109.483 108.800 0.081 0.000 2.351 647 G HA2 0.058 4.018 3.960 -0.000 0.000 0.472 647 G HA3 0.058 4.018 3.960 -0.000 0.000 0.472 647 G C -0.159 174.894 174.900 0.255 0.000 1.570 647 G CA -0.288 44.892 45.100 0.134 0.000 0.921 647 G HN 0.080 nan 8.290 nan 0.000 0.674 648 N N 0.304 119.121 118.700 0.195 0.000 2.430 648 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 648 N C 1.743 177.366 175.510 0.188 0.000 1.032 648 N CA 1.942 55.115 53.050 0.205 0.000 0.893 648 N CB 0.183 38.733 38.487 0.104 0.000 0.957 648 N HN 0.640 nan 8.380 nan 0.000 0.442 649 D N -0.505 120.003 120.400 0.180 0.000 2.328 649 D HA -0.113 4.527 4.640 -0.000 0.000 0.226 649 D C 1.708 178.109 176.300 0.168 0.000 1.066 649 D CA -0.126 53.952 54.000 0.130 0.000 0.861 649 D CB -1.001 39.856 40.800 0.095 0.000 0.912 649 D HN 0.568 nan 8.370 nan 0.000 0.521 650 W N 1.325 122.681 121.300 0.094 0.000 2.363 650 W HA -0.092 4.568 4.660 -0.000 0.000 0.296 650 W C 1.405 178.021 176.519 0.161 0.000 1.212 650 W CA 0.167 57.574 57.345 0.104 0.000 1.260 650 W CB -0.961 28.553 29.460 0.089 0.000 1.131 650 W HN -0.076 nan 8.180 nan 0.000 0.530 651 I N 1.315 121.556 120.570 -0.548 0.000 2.202 651 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 651 I C 2.765 178.952 176.117 0.116 0.000 1.091 651 I CA 2.126 63.196 61.300 -0.383 0.000 1.368 651 I CB -0.817 36.976 38.000 -0.345 0.000 1.058 651 I HN 0.013 nan 8.210 nan 0.000 0.410 652 E N 1.223 121.429 120.200 0.010 0.000 2.058 652 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 652 E C 2.321 178.886 176.600 -0.057 0.000 0.997 652 E CA 1.717 57.965 56.400 -0.254 0.000 0.801 652 E CB 0.112 29.634 29.700 -0.296 0.000 0.746 652 E HN 0.263 nan 8.360 nan 0.000 0.450 653 V N 1.180 121.112 119.914 0.029 0.000 2.343 653 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 653 V C 2.468 178.608 176.094 0.077 0.000 1.051 653 V CA 1.775 64.112 62.300 0.063 0.000 1.036 653 V CB -0.802 31.088 31.823 0.112 0.000 0.654 653 V HN 0.461 nan 8.190 nan 0.000 0.451 654 A N -0.494 122.388 122.820 0.104 0.000 1.883 654 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 654 A C 2.052 179.591 177.584 -0.075 0.000 1.186 654 A CA 2.011 54.069 52.037 0.036 0.000 0.624 654 A CB -0.741 18.282 19.000 0.038 0.000 0.822 654 A HN 0.470 nan 8.150 nan 0.000 0.444 655 F N -0.299 119.646 119.950 -0.009 0.000 2.146 655 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 655 F C 2.615 178.389 175.800 -0.043 0.000 1.096 655 F CA 1.699 59.687 58.000 -0.019 0.000 1.275 655 F CB -0.247 38.722 39.000 -0.052 0.000 1.008 655 F HN 0.096 nan 8.300 nan 0.000 0.480 656 R N -0.554 120.006 120.500 0.099 0.000 2.081 656 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 656 R C 2.104 178.418 176.300 0.023 0.000 1.131 656 R CA 1.917 58.039 56.100 0.037 0.000 0.960 656 R CB -1.020 29.280 30.300 -0.001 0.000 0.856 656 R HN 0.207 nan 8.270 nan 0.000 0.436 657 T N 0.966 115.528 114.554 0.013 0.000 2.684 657 T HA -0.176 4.173 4.350 -0.000 0.000 0.267 657 T C 1.956 176.634 174.700 -0.036 0.000 1.036 657 T CA 1.539 63.635 62.100 -0.006 0.000 1.148 657 T CB -0.280 68.589 68.868 0.000 0.000 0.863 657 T HN 0.397 nan 8.240 nan 0.000 0.436 658 A N 1.742 124.524 122.820 -0.063 0.000 1.902 658 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 658 A C 2.249 179.816 177.584 -0.030 0.000 1.181 658 A CA 2.021 53.997 52.037 -0.102 0.000 0.623 658 A CB -0.573 18.326 19.000 -0.168 0.000 0.818 658 A HN 0.339 nan 8.150 nan 0.000 0.443 659 R N 0.312 120.828 120.500 0.027 0.000 2.083 659 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 659 R C 2.092 178.407 176.300 0.025 0.000 1.137 659 R CA 2.179 58.310 56.100 0.051 0.000 0.951 659 R CB -0.885 29.454 30.300 0.066 0.000 0.851 659 R HN 0.399 nan 8.270 nan 0.000 0.434 660 A N -0.023 122.802 122.820 0.008 0.000 1.930 660 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 660 A C 2.364 179.940 177.584 -0.013 0.000 1.175 660 A CA 1.520 53.557 52.037 -0.000 0.000 0.627 660 A CB -0.949 18.050 19.000 -0.003 0.000 0.815 660 A HN 0.493 nan 8.150 nan 0.000 0.443 661 A N -1.101 121.699 122.820 -0.033 0.000 1.902 661 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 661 A C 0.987 178.549 177.584 -0.036 0.000 1.181 661 A CA 1.797 53.800 52.037 -0.056 0.000 0.623 661 A CB -0.105 18.832 19.000 -0.106 0.000 0.818 661 A HN 0.409 nan 8.150 nan 0.000 0.443 662 D N -2.752 117.642 120.400 -0.010 0.000 2.328 662 D HA 0.340 4.980 4.640 -0.000 0.000 0.243 662 D C -2.548 173.789 176.300 0.061 0.000 1.324 662 D CA -1.536 52.485 54.000 0.035 0.000 0.966 662 D CB 1.133 41.981 40.800 0.082 0.000 1.324 662 D HN -0.086 nan 8.370 nan 0.000 0.549 663 P HA 0.019 nan 4.420 nan 0.000 0.225 663 P C 0.915 178.256 177.300 0.070 0.000 1.148 663 P CA 0.671 63.805 63.100 0.056 0.000 0.779 663 P CB 0.402 32.125 31.700 0.038 0.000 0.780 664 A N -0.933 121.932 122.820 0.074 0.000 2.169 664 A HA 0.381 4.701 4.320 -0.000 0.000 0.212 664 A C 1.265 178.908 177.584 0.099 0.000 1.153 664 A CA 0.402 52.484 52.037 0.075 0.000 0.756 664 A CB -0.688 18.350 19.000 0.062 0.000 0.813 664 A HN 0.226 nan 8.150 nan 0.000 0.471 665 A N 0.176 123.081 122.820 0.141 0.000 2.304 665 A HA 0.541 4.861 4.320 -0.000 0.000 0.301 665 A C 0.067 177.758 177.584 0.179 0.000 1.132 665 A CA -0.516 51.632 52.037 0.185 0.000 0.819 665 A CB 0.295 19.510 19.000 0.358 0.000 1.094 665 A HN 0.331 nan 8.150 nan 0.000 0.492 666 K N 1.461 121.957 120.400 0.160 0.000 2.276 666 K HA 0.377 4.697 4.320 -0.000 0.000 0.283 666 K C -0.987 175.751 176.600 0.230 0.000 1.044 666 K CA 0.101 56.489 56.287 0.167 0.000 0.944 666 K CB 0.551 33.132 32.500 0.135 0.000 1.012 666 K HN 0.592 nan 8.250 nan 0.000 0.472 667 L N 4.401 125.786 121.223 0.270 0.000 2.257 667 L HA 0.330 4.670 4.340 -0.000 0.000 0.290 667 L C -0.410 176.740 176.870 0.467 0.000 1.044 667 L CA -0.909 54.153 54.840 0.370 0.000 0.810 667 L CB 0.808 43.139 42.059 0.454 0.000 1.193 667 L HN 0.634 nan 8.230 nan 0.000 0.425 668 c N 2.113 120.952 118.600 0.399 0.000 2.435 668 c HA 0.451 5.021 4.570 -0.000 0.000 0.333 668 c C -0.127 174.238 174.090 0.459 0.000 1.202 668 c CA -0.880 55.661 56.329 0.355 0.000 1.830 668 c CB 1.374 43.990 42.510 0.177 0.000 2.326 668 c HN 0.621 nan 8.230 nan 0.000 0.507 669 Y N 2.654 123.136 120.300 0.303 0.000 2.328 669 Y HA 0.513 5.063 4.550 -0.000 0.000 0.337 669 Y C -0.189 175.707 175.900 -0.006 0.000 1.008 669 Y CA -0.265 57.990 58.100 0.259 0.000 1.129 669 Y CB 0.445 38.980 38.460 0.125 0.000 1.185 669 Y HN 0.787 nan 8.280 nan 0.000 0.476 670 N N 4.232 122.442 118.700 -0.816 0.000 2.321 670 N HA 0.442 5.182 4.740 -0.000 0.000 0.299 670 N C -2.002 173.054 175.510 -0.756 0.000 1.048 670 N CA -0.304 52.366 53.050 -0.632 0.000 0.836 670 N CB 1.281 39.559 38.487 -0.347 0.000 1.269 670 N HN 0.770 nan 8.380 nan 0.000 0.486 671 D N 0.189 120.292 120.400 -0.495 0.000 2.671 671 D HA 0.220 4.860 4.640 -0.000 0.000 0.273 671 D C -1.460 174.755 176.300 -0.142 0.000 1.264 671 D CA -0.295 53.540 54.000 -0.274 0.000 0.788 671 D CB 0.839 41.517 40.800 -0.203 0.000 1.324 671 D HN 0.413 nan 8.370 nan 0.000 0.424 672 Y N -0.313 119.945 120.300 -0.070 0.000 2.602 672 Y HA 0.529 5.079 4.550 -0.000 0.000 0.330 672 Y C 0.738 176.635 175.900 -0.004 0.000 1.114 672 Y CA -0.884 57.184 58.100 -0.054 0.000 1.182 672 Y CB 0.530 39.023 38.460 0.055 0.000 1.305 672 Y HN 0.592 nan 8.280 nan 0.000 0.502 673 N N 0.469 119.195 118.700 0.044 0.000 2.725 673 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 673 N C -0.138 175.322 175.510 -0.083 0.000 1.103 673 N CA 0.933 53.944 53.050 -0.065 0.000 0.707 673 N CB -0.997 37.574 38.487 0.140 0.000 1.043 673 N HN 0.788 nan 8.380 nan 0.000 0.553 674 I N -3.919 116.618 120.570 -0.055 0.000 3.833 674 I HA 0.285 4.455 4.170 -0.000 0.000 0.328 674 I C 0.651 176.923 176.117 0.258 0.000 1.554 674 I CA -0.416 60.915 61.300 0.051 0.000 1.116 674 I CB 0.555 38.531 38.000 -0.041 0.000 1.182 674 I HN -0.143 nan 8.210 nan 0.000 0.459 675 E N 1.038 121.308 120.200 0.116 0.000 2.216 675 E HA 0.093 4.443 4.350 -0.000 0.000 0.192 675 E C 0.673 177.378 176.600 0.174 0.000 0.973 675 E CA 0.250 56.772 56.400 0.203 0.000 0.851 675 E CB 0.075 29.637 29.700 -0.229 0.000 0.804 675 E HN 0.344 nan 8.360 nan 0.000 0.477 676 N N 0.830 119.464 118.700 -0.110 0.000 2.406 676 N HA -0.067 4.673 4.740 -0.000 0.000 0.251 676 N C 0.117 175.679 175.510 0.087 0.000 1.069 676 N CA -0.096 52.880 53.050 -0.124 0.000 0.947 676 N CB 0.333 38.470 38.487 -0.585 0.000 1.111 676 N HN 0.255 nan 8.380 nan 0.000 0.497 677 W N 3.797 125.151 121.300 0.089 0.000 2.350 677 W HA -0.204 4.456 4.660 -0.000 0.000 0.289 677 W C 1.318 177.923 176.519 0.143 0.000 1.215 677 W CA 2.109 59.523 57.345 0.115 0.000 1.236 677 W CB -0.169 29.323 29.460 0.052 0.000 1.130 677 W HN 0.627 nan 8.180 nan 0.000 0.541 678 T N -2.544 112.102 114.554 0.153 0.000 3.007 678 T HA -0.177 4.173 4.350 -0.000 0.000 0.270 678 T C 0.295 175.085 174.700 0.149 0.000 1.107 678 T CA 0.277 62.456 62.100 0.131 0.000 1.118 678 T CB -0.705 68.299 68.868 0.227 0.000 0.889 678 T HN -0.044 nan 8.240 nan 0.000 0.506 679 W N 1.376 122.593 121.300 -0.138 0.000 2.238 679 W HA 0.706 5.366 4.660 -0.000 0.000 0.321 679 W C 1.541 177.952 176.519 -0.180 0.000 1.293 679 W CA -1.175 56.105 57.345 -0.109 0.000 1.204 679 W CB 0.361 29.793 29.460 -0.047 0.000 1.167 679 W HN 0.183 nan 8.180 nan 0.000 0.553 680 A N 3.343 126.170 122.820 0.012 0.000 1.940 680 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 680 A C 2.060 179.639 177.584 -0.009 0.000 1.176 680 A CA 1.942 53.955 52.037 -0.040 0.000 0.631 680 A CB -0.504 18.474 19.000 -0.037 0.000 0.814 680 A HN 0.723 nan 8.150 nan 0.000 0.446 681 K N -0.890 119.556 120.400 0.077 0.000 2.063 681 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 681 K C 2.035 178.605 176.600 -0.051 0.000 1.048 681 K CA 1.883 58.212 56.287 0.070 0.000 0.928 681 K CB -0.356 32.229 32.500 0.141 0.000 0.713 681 K HN 0.472 nan 8.250 nan 0.000 0.442 682 T N 1.266 115.813 114.554 -0.011 0.000 2.684 682 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 682 T C 1.808 176.428 174.700 -0.132 0.000 1.036 682 T CA 1.610 63.698 62.100 -0.021 0.000 1.148 682 T CB -0.199 68.650 68.868 -0.031 0.000 0.863 682 T HN 0.397 nan 8.240 nan 0.000 0.436 683 Q N 0.119 119.709 119.800 -0.350 0.000 2.167 683 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 683 Q C 2.748 178.659 176.000 -0.149 0.000 0.970 683 Q CA 1.128 56.706 55.803 -0.375 0.000 0.855 683 Q CB -0.375 28.100 28.738 -0.439 0.000 0.911 683 Q HN 0.614 nan 8.270 nan 0.000 0.438 684 G N 0.193 108.895 108.800 -0.164 0.000 2.418 684 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 684 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 684 G C 1.476 176.045 174.900 -0.553 0.000 1.158 684 G CA 0.736 45.748 45.100 -0.146 0.000 0.771 684 G HN 0.205 nan 8.290 nan 0.000 0.545 685 V N -0.173 119.250 119.914 -0.818 0.000 2.427 685 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 685 V C 2.243 178.208 176.094 -0.214 0.000 1.051 685 V CA 1.624 63.439 62.300 -0.809 0.000 1.048 685 V CB -0.668 30.867 31.823 -0.480 0.000 0.666 685 V HN 0.486 nan 8.190 nan 0.000 0.456 686 Y N 2.131 122.353 120.300 -0.130 0.000 2.114 686 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 686 Y C 2.543 178.285 175.900 -0.264 0.000 1.143 686 Y CA 2.090 59.978 58.100 -0.353 0.000 1.135 686 Y CB -0.376 37.849 38.460 -0.392 0.000 0.980 686 Y HN 0.290 nan 8.280 nan 0.000 0.499 687 N N 0.237 118.874 118.700 -0.105 0.000 2.149 687 N HA -0.257 4.483 4.740 -0.000 0.000 0.188 687 N C 2.021 177.379 175.510 -0.254 0.000 1.019 687 N CA 1.905 54.874 53.050 -0.135 0.000 0.857 687 N CB -0.591 37.890 38.487 -0.010 0.000 0.997 687 N HN 0.551 nan 8.380 nan 0.000 0.426 688 M N 0.461 119.866 119.600 -0.325 0.000 2.156 688 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 688 M C 1.621 177.434 176.300 -0.812 0.000 1.067 688 M CA 1.199 56.187 55.300 -0.521 0.000 1.131 688 M CB 0.072 32.349 32.600 -0.538 0.000 1.368 688 M HN -0.130 nan 8.290 nan 0.000 0.416 689 V N 0.770 120.290 119.914 -0.656 0.000 2.343 689 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 689 V C 2.505 178.382 176.094 -0.362 0.000 1.051 689 V CA 2.219 64.214 62.300 -0.508 0.000 1.036 689 V CB -1.044 30.648 31.823 -0.219 0.000 0.654 689 V HN 0.562 nan 8.190 nan 0.000 0.451 690 R N 0.461 120.682 120.500 -0.466 0.000 2.073 690 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 690 R C 2.164 178.359 176.300 -0.174 0.000 1.134 690 R CA 2.402 58.275 56.100 -0.378 0.000 0.952 690 R CB -0.550 29.450 30.300 -0.499 0.000 0.850 690 R HN 0.603 nan 8.270 nan 0.000 0.433 691 D N -0.444 119.868 120.400 -0.147 0.000 2.123 691 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 691 D C 1.670 178.054 176.300 0.140 0.000 0.992 691 D CA 1.397 55.394 54.000 -0.005 0.000 0.833 691 D CB -0.116 40.691 40.800 0.013 0.000 0.954 691 D HN 0.188 nan 8.370 nan 0.000 0.455 692 F N 1.040 120.901 119.950 -0.149 0.000 2.069 692 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 692 F C 2.390 178.118 175.800 -0.120 0.000 1.113 692 F CA 0.974 58.883 58.000 -0.152 0.000 1.214 692 F CB -0.865 37.994 39.000 -0.236 0.000 0.978 692 F HN -0.011 nan 8.300 nan 0.000 0.474 693 K N 0.407 120.858 120.400 0.085 0.000 2.103 693 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 693 K C 1.984 178.587 176.600 0.005 0.000 1.048 693 K CA 1.181 57.479 56.287 0.018 0.000 0.930 693 K CB -0.701 31.788 32.500 -0.018 0.000 0.716 693 K HN 0.461 nan 8.250 nan 0.000 0.444 694 Q N -0.120 119.681 119.800 0.002 0.000 2.167 694 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 694 Q C 1.673 177.675 176.000 0.003 0.000 0.970 694 Q CA 1.042 56.844 55.803 -0.002 0.000 0.855 694 Q CB 0.065 28.799 28.738 -0.008 0.000 0.911 694 Q HN 0.218 nan 8.270 nan 0.000 0.438 695 R N -0.997 119.509 120.500 0.010 0.000 2.334 695 R HA 0.130 4.470 4.340 -0.000 0.000 0.216 695 R C 0.656 176.942 176.300 -0.024 0.000 0.905 695 R CA 0.520 56.617 56.100 -0.004 0.000 1.064 695 R CB 0.854 31.153 30.300 -0.001 0.000 1.046 695 R HN 0.308 nan 8.270 nan 0.000 0.508 696 G N 1.133 109.919 108.800 -0.023 0.000 2.132 696 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.234 696 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.234 696 G C 0.120 174.979 174.900 -0.069 0.000 0.989 696 G CA -0.116 44.965 45.100 -0.033 0.000 0.676 696 G HN 0.118 nan 8.290 nan 0.000 0.522 697 V N 1.466 121.303 119.914 -0.129 0.000 2.572 697 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 697 V C -1.388 174.609 176.094 -0.162 0.000 1.039 697 V CA -0.990 61.151 62.300 -0.266 0.000 1.055 697 V CB 1.168 32.554 31.823 -0.728 0.000 0.969 697 V HN 0.175 nan 8.190 nan 0.000 0.482 698 P HA 0.376 nan 4.420 nan 0.000 0.269 698 P C -0.578 176.759 177.300 0.061 0.000 1.252 698 P CA 0.335 63.451 63.100 0.026 0.000 0.780 698 P CB 0.263 32.014 31.700 0.085 0.000 0.829 699 I N 2.512 123.100 120.570 0.030 0.000 2.685 699 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 699 I C -0.395 175.774 176.117 0.086 0.000 1.292 699 I CA -0.361 60.944 61.300 0.008 0.000 1.050 699 I CB 2.122 39.970 38.000 -0.253 0.000 1.301 699 I HN 0.131 nan 8.210 nan 0.000 0.425 700 D N 5.617 126.112 120.400 0.159 0.000 2.423 700 D HA 0.158 4.798 4.640 -0.000 0.000 0.208 700 D C 0.121 176.507 176.300 0.143 0.000 1.068 700 D CA 0.441 54.524 54.000 0.138 0.000 0.860 700 D CB 0.995 41.883 40.800 0.147 0.000 0.992 700 D HN 0.465 nan 8.370 nan 0.000 0.504 701 c N -0.125 118.576 118.600 0.169 0.000 3.285 701 c HA 0.656 5.226 4.570 -0.000 0.000 0.325 701 c C -1.643 172.534 174.090 0.145 0.000 1.304 701 c CA -0.519 55.905 56.329 0.159 0.000 1.319 701 c CB 1.309 43.913 42.510 0.157 0.000 1.640 701 c HN -0.100 nan 8.230 nan 0.000 0.477 702 V N 2.956 122.928 119.914 0.097 0.000 2.444 702 V HA 0.731 4.851 4.120 -0.000 0.000 0.294 702 V C 0.809 176.803 176.094 -0.165 0.000 1.022 702 V CA 0.416 62.664 62.300 -0.088 0.000 0.850 702 V CB 1.537 33.189 31.823 -0.285 0.000 0.992 702 V HN 1.293 nan 8.190 nan 0.000 0.426 703 G N 3.583 112.225 108.800 -0.264 0.000 2.322 703 G HA2 0.607 4.567 3.960 -0.000 0.000 0.309 703 G HA3 0.607 4.567 3.960 -0.000 0.000 0.309 703 G C -1.023 173.628 174.900 -0.415 0.000 1.121 703 G CA -0.236 44.749 45.100 -0.192 0.000 0.886 703 G HN 0.442 nan 8.290 nan 0.000 0.447 704 F N 1.548 121.432 119.950 -0.109 0.000 2.313 704 F HA 0.285 4.812 4.527 -0.000 0.000 0.369 704 F C 1.696 177.375 175.800 -0.201 0.000 1.109 704 F CA -0.602 57.334 58.000 -0.106 0.000 1.132 704 F CB 1.796 40.852 39.000 0.092 0.000 1.291 704 F HN 0.547 nan 8.300 nan 0.000 0.496 705 Q N 1.342 121.021 119.800 -0.202 0.000 2.133 705 Q HA -0.209 4.131 4.340 -0.000 0.000 0.208 705 Q C 0.707 176.351 176.000 -0.593 0.000 0.991 705 Q CA 1.764 57.316 55.803 -0.418 0.000 0.867 705 Q CB -0.139 28.391 28.738 -0.346 0.000 0.911 705 Q HN 0.775 nan 8.270 nan 0.000 0.417 706 S N 0.107 115.453 115.700 -0.589 0.000 3.783 706 S HA -0.117 4.353 4.470 -0.000 0.000 0.360 706 S C -0.818 173.123 174.600 -1.098 0.000 1.006 706 S CA 0.078 57.645 58.200 -1.055 0.000 1.115 706 S CB -1.515 61.322 63.200 -0.604 0.000 0.893 706 S HN 0.406 nan 8.310 nan 0.000 0.475 707 H N 0.708 119.416 119.070 -0.603 0.000 2.914 707 H HA 0.320 4.876 4.556 -0.000 0.000 0.264 707 H C 0.067 175.218 175.328 -0.295 0.000 1.433 707 H CA -0.245 55.640 56.048 -0.271 0.000 1.342 707 H CB -0.345 29.396 29.762 -0.036 0.000 1.582 707 H HN 0.295 nan 8.280 nan 0.000 0.525 708 F N 2.949 122.920 119.950 0.034 0.000 2.410 708 F HA 0.157 4.684 4.527 -0.000 0.000 0.348 708 F C 0.859 176.666 175.800 0.011 0.000 1.106 708 F CA -0.548 57.443 58.000 -0.016 0.000 1.163 708 F CB 0.747 39.704 39.000 -0.072 0.000 1.129 708 F HN 0.517 nan 8.300 nan 0.000 0.516 709 N N -1.939 116.889 118.700 0.214 0.000 3.020 709 N HA 0.205 4.945 4.740 -0.000 0.000 0.248 709 N C 0.079 175.659 175.510 0.116 0.000 1.480 709 N CA -0.393 52.733 53.050 0.126 0.000 0.874 709 N CB 0.547 39.081 38.487 0.077 0.000 1.433 709 N HN 0.216 nan 8.380 nan 0.000 0.530 710 S N -2.156 113.596 115.700 0.086 0.000 2.469 710 S HA -0.006 4.464 4.470 -0.000 0.000 0.238 710 S C 1.519 176.186 174.600 0.111 0.000 0.998 710 S CA 1.102 59.353 58.200 0.085 0.000 0.957 710 S CB -1.144 62.093 63.200 0.063 0.000 0.764 710 S HN 0.787 nan 8.310 nan 0.000 0.514 711 G N 0.363 109.238 108.800 0.124 0.000 2.426 711 G HA2 0.209 4.169 3.960 -0.000 0.000 0.214 711 G HA3 0.209 4.169 3.960 -0.000 0.000 0.214 711 G C 0.487 175.545 174.900 0.265 0.000 1.156 711 G CA 0.290 45.491 45.100 0.168 0.000 0.802 711 G HN 0.561 nan 8.290 nan 0.000 0.534 712 S N 2.141 117.968 115.700 0.213 0.000 2.158 712 S HA 0.376 4.846 4.470 -0.000 0.000 0.160 712 S C -2.814 171.864 174.600 0.130 0.000 1.693 712 S CA -0.799 57.490 58.200 0.148 0.000 1.251 712 S CB 2.189 65.427 63.200 0.063 0.000 1.153 712 S HN 0.187 nan 8.310 nan 0.000 0.439 713 P HA 0.066 nan 4.420 nan 0.000 0.271 713 P C -0.426 176.856 177.300 -0.030 0.000 1.218 713 P CA -0.326 62.822 63.100 0.081 0.000 0.780 713 P CB 0.500 32.235 31.700 0.058 0.000 0.901 714 Y N 3.479 123.562 120.300 -0.361 0.000 2.578 714 Y HA 0.146 4.696 4.550 -0.000 0.000 0.339 714 Y C 0.030 175.699 175.900 -0.385 0.000 1.231 714 Y CA 0.400 57.977 58.100 -0.871 0.000 1.461 714 Y CB 0.304 37.959 38.460 -1.343 0.000 1.323 714 Y HN 0.387 nan 8.280 nan 0.000 0.590 715 N N 2.294 120.190 118.700 -1.341 0.000 2.235 715 N HA 0.086 4.826 4.740 -0.000 0.000 0.293 715 N C 0.234 175.112 175.510 -1.054 0.000 1.083 715 N CA 0.184 52.706 53.050 -0.879 0.000 0.801 715 N CB 2.116 40.385 38.487 -0.363 0.000 1.559 715 N HN 0.818 nan 8.380 nan 0.000 0.472 716 S N 2.202 117.577 115.700 -0.542 0.000 2.440 716 S HA -0.237 4.233 4.470 -0.000 0.000 0.240 716 S C 1.194 175.736 174.600 -0.097 0.000 1.014 716 S CA 1.508 59.584 58.200 -0.206 0.000 0.980 716 S CB -0.590 62.587 63.200 -0.039 0.000 0.775 716 S HN 0.789 nan 8.310 nan 0.000 0.499 717 N N 0.992 119.637 118.700 -0.092 0.000 2.571 717 N HA -0.047 4.693 4.740 -0.000 0.000 0.189 717 N C 0.974 176.538 175.510 0.090 0.000 1.154 717 N CA 0.336 53.392 53.050 0.009 0.000 0.907 717 N CB -0.976 37.552 38.487 0.068 0.000 0.977 717 N HN 0.423 nan 8.380 nan 0.000 0.449 718 F N 1.675 121.542 119.950 -0.137 0.000 2.216 718 F HA 0.026 4.553 4.527 0.000 0.000 0.300 718 F C 2.254 178.030 175.800 -0.041 0.000 1.085 718 F CA 0.837 58.801 58.000 -0.060 0.000 1.326 718 F CB -0.297 38.699 39.000 -0.007 0.000 1.027 718 F HN 0.102 nan 8.300 nan 0.000 0.497 719 R N -0.189 120.266 120.500 -0.074 0.000 2.092 719 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 719 R C 2.334 178.524 176.300 -0.183 0.000 1.119 719 R CA 1.945 57.927 56.100 -0.198 0.000 0.970 719 R CB -0.500 29.746 30.300 -0.090 0.000 0.864 719 R HN 0.479 nan 8.270 nan 0.000 0.440 720 T N -2.566 111.915 114.554 -0.123 0.000 2.777 720 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 720 T C 1.845 176.442 174.700 -0.171 0.000 1.040 720 T CA 1.668 63.659 62.100 -0.181 0.000 1.141 720 T CB -0.503 68.227 68.868 -0.230 0.000 0.868 720 T HN 0.141 nan 8.240 nan 0.000 0.444 721 T N 2.708 117.267 114.554 0.007 0.000 2.665 721 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 721 T C 1.902 176.699 174.700 0.162 0.000 1.035 721 T CA 1.641 63.910 62.100 0.282 0.000 1.151 721 T CB -0.609 68.530 68.868 0.453 0.000 0.862 721 T HN 0.317 nan 8.240 nan 0.000 0.438 722 L N 0.650 121.724 121.223 -0.248 0.000 2.046 722 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 722 L C 2.929 179.758 176.870 -0.069 0.000 1.077 722 L CA 1.473 56.112 54.840 -0.335 0.000 0.747 722 L CB -0.671 41.026 42.059 -0.604 0.000 0.896 722 L HN 0.347 nan 8.230 nan 0.000 0.432 723 Q N -0.245 119.491 119.800 -0.107 0.000 2.050 723 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 723 Q C 2.075 178.057 176.000 -0.030 0.000 0.980 723 Q CA 1.447 57.205 55.803 -0.076 0.000 0.840 723 Q CB -0.220 28.445 28.738 -0.123 0.000 0.898 723 Q HN 0.482 nan 8.270 nan 0.000 0.424 724 N N 0.438 119.088 118.700 -0.084 0.000 2.036 724 N HA -0.162 4.578 4.740 -0.000 0.000 0.195 724 N C 1.568 177.159 175.510 0.135 0.000 1.037 724 N CA 1.347 54.319 53.050 -0.130 0.000 0.855 724 N CB -0.470 37.705 38.487 -0.520 0.000 1.033 724 N HN 0.169 nan 8.380 nan 0.000 0.423 725 F N 1.271 121.371 119.950 0.251 0.000 2.146 725 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 725 F C 2.419 178.313 175.800 0.156 0.000 1.096 725 F CA 1.054 59.235 58.000 0.301 0.000 1.275 725 F CB -0.636 38.606 39.000 0.404 0.000 1.008 725 F HN 0.019 nan 8.300 nan 0.000 0.480 726 A N 0.095 123.077 122.820 0.271 0.000 1.948 726 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 726 A C 2.333 179.975 177.584 0.097 0.000 1.177 726 A CA 1.826 53.950 52.037 0.145 0.000 0.636 726 A CB -1.330 17.710 19.000 0.067 0.000 0.815 726 A HN 0.324 nan 8.150 nan 0.000 0.449 727 A N -0.662 122.205 122.820 0.078 0.000 2.121 727 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 727 A C 1.886 179.494 177.584 0.041 0.000 1.154 727 A CA 1.101 53.164 52.037 0.043 0.000 0.679 727 A CB -0.500 18.513 19.000 0.022 0.000 0.795 727 A HN 0.494 nan 8.150 nan 0.000 0.458 728 L N -1.307 119.946 121.223 0.050 0.000 2.552 728 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 728 L C 1.528 178.406 176.870 0.013 0.000 1.146 728 L CA 0.592 55.425 54.840 -0.011 0.000 0.858 728 L CB -0.297 41.708 42.059 -0.090 0.000 0.969 728 L HN 0.579 nan 8.230 nan 0.000 0.451 729 G N 0.919 109.745 108.800 0.043 0.000 2.165 729 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.226 729 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.226 729 G C -0.070 174.867 174.900 0.062 0.000 1.035 729 G CA 0.066 45.192 45.100 0.043 0.000 0.744 729 G HN 0.235 nan 8.290 nan 0.000 0.501 730 V N -3.475 116.496 119.914 0.094 0.000 2.962 730 V HA 0.860 4.980 4.120 -0.000 0.000 0.313 730 V C -0.225 175.949 176.094 0.132 0.000 1.099 730 V CA -1.588 60.782 62.300 0.115 0.000 0.971 730 V CB 2.166 34.073 31.823 0.141 0.000 1.028 730 V HN 0.047 nan 8.190 nan 0.000 0.430 731 D N 1.450 121.926 120.400 0.126 0.000 2.354 731 D HA 0.594 5.234 4.640 -0.000 0.000 0.247 731 D C -0.039 176.354 176.300 0.156 0.000 1.138 731 D CA 0.129 54.201 54.000 0.121 0.000 0.958 731 D CB 2.101 42.967 40.800 0.110 0.000 1.144 731 D HN 0.963 nan 8.370 nan 0.000 0.458 732 V N -2.816 117.183 119.914 0.141 0.000 2.914 732 V HA 0.944 5.064 4.120 -0.000 0.000 0.314 732 V C -0.929 175.249 176.094 0.141 0.000 1.084 732 V CA -0.928 61.492 62.300 0.201 0.000 0.963 732 V CB 1.564 33.491 31.823 0.174 0.000 1.025 732 V HN 0.688 nan 8.190 nan 0.000 0.432 733 A N 3.717 126.662 122.820 0.208 0.000 2.520 733 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 733 A C -0.998 176.695 177.584 0.180 0.000 1.051 733 A CA -0.646 51.471 52.037 0.134 0.000 0.690 733 A CB 1.508 20.602 19.000 0.158 0.000 1.281 733 A HN 0.981 nan 8.150 nan 0.000 0.402 734 I N 2.745 123.372 120.570 0.097 0.000 2.322 734 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 734 I C 1.589 177.721 176.117 0.026 0.000 1.060 734 I CA 0.196 61.562 61.300 0.110 0.000 1.309 734 I CB 1.498 39.556 38.000 0.098 0.000 1.415 734 I HN 0.906 nan 8.210 nan 0.000 0.492 735 T N 0.997 115.534 114.554 -0.029 0.000 3.039 735 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 735 T C 0.796 175.407 174.700 -0.149 0.000 1.052 735 T CA 0.301 62.348 62.100 -0.087 0.000 1.125 735 T CB 0.095 68.866 68.868 -0.161 0.000 0.908 735 T HN 0.565 nan 8.240 nan 0.000 0.473 736 E N 1.018 121.032 120.200 -0.311 0.000 4.120 736 E HA 0.326 4.676 4.350 -0.000 0.000 0.202 736 E C -1.176 175.211 176.600 -0.354 0.000 1.067 736 E CA -0.494 55.671 56.400 -0.391 0.000 1.424 736 E CB 0.755 29.774 29.700 -1.135 0.000 1.164 736 E HN 0.216 nan 8.360 nan 0.000 0.439 737 L N 2.955 124.120 121.223 -0.096 0.000 2.513 737 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 737 L C -0.688 176.304 176.870 0.203 0.000 1.187 737 L CA 0.673 55.507 54.840 -0.009 0.000 0.895 737 L CB 0.059 42.185 42.059 0.111 0.000 1.147 737 L HN 0.190 nan 8.230 nan 0.000 0.483 738 D N 3.968 124.469 120.400 0.167 0.000 2.769 738 D HA 0.416 5.056 4.640 -0.000 0.000 0.219 738 D C -1.036 175.359 176.300 0.158 0.000 1.245 738 D CA -0.322 53.859 54.000 0.302 0.000 0.801 738 D CB 0.381 41.472 40.800 0.485 0.000 1.598 738 D HN 0.382 nan 8.370 nan 0.000 0.485 739 I N 1.041 121.652 120.570 0.068 0.000 2.410 739 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 739 I C 0.016 176.187 176.117 0.090 0.000 1.009 739 I CA -0.911 60.397 61.300 0.014 0.000 1.111 739 I CB 2.003 39.825 38.000 -0.297 0.000 1.262 739 I HN 0.397 nan 8.210 nan 0.000 0.443 740 Q N 5.479 125.338 119.800 0.097 0.000 2.239 740 Q HA 0.144 4.484 4.340 -0.000 0.000 0.286 740 Q C 1.116 177.156 176.000 0.066 0.000 1.102 740 Q CA 1.385 57.234 55.803 0.076 0.000 0.936 740 Q CB 0.357 29.130 28.738 0.058 0.000 1.127 740 Q HN 1.020 nan 8.270 nan 0.000 0.380 741 G N 3.207 112.051 108.800 0.073 0.000 2.241 741 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.244 741 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.244 741 G C 0.514 175.467 174.900 0.088 0.000 0.998 741 G CA 0.143 45.280 45.100 0.061 0.000 0.621 741 G HN 1.886 nan 8.290 nan 0.000 0.519 742 A N -0.918 121.986 122.820 0.141 0.000 2.745 742 A HA 0.078 4.398 4.320 -0.000 0.000 0.296 742 A C 1.294 179.010 177.584 0.220 0.000 1.500 742 A CA 1.840 54.042 52.037 0.275 0.000 0.766 742 A CB -1.992 17.183 19.000 0.293 0.000 1.030 742 A HN 2.476 nan 8.150 nan 0.000 0.489 743 S N -0.102 115.658 115.700 0.101 0.000 2.563 743 S HA 0.282 4.752 4.470 -0.000 0.000 0.294 743 S C 1.550 176.218 174.600 0.113 0.000 1.279 743 S CA 0.447 58.679 58.200 0.053 0.000 1.069 743 S CB 0.434 63.630 63.200 -0.006 0.000 0.828 743 S HN 1.077 nan 8.310 nan 0.000 0.497 744 S N 4.183 119.923 115.700 0.066 0.000 2.402 744 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 744 S C 2.166 176.808 174.600 0.070 0.000 1.021 744 S CA 1.311 59.562 58.200 0.086 0.000 0.974 744 S CB -0.332 62.891 63.200 0.038 0.000 0.800 744 S HN 0.766 nan 8.310 nan 0.000 0.484 745 S N 1.371 117.084 115.700 0.021 0.000 2.355 745 S HA -0.083 4.387 4.470 -0.000 0.000 0.222 745 S C 2.155 176.717 174.600 -0.064 0.000 1.031 745 S CA 1.489 59.688 58.200 -0.002 0.000 0.993 745 S CB -0.597 62.600 63.200 -0.004 0.000 0.859 745 S HN 0.596 nan 8.310 nan 0.000 0.453 746 T N 0.805 115.292 114.554 -0.112 0.000 2.777 746 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 746 T C 1.517 176.012 174.700 -0.341 0.000 1.040 746 T CA 1.160 63.067 62.100 -0.321 0.000 1.141 746 T CB -0.433 68.252 68.868 -0.306 0.000 0.868 746 T HN 0.331 nan 8.240 nan 0.000 0.444 747 Y N 1.576 121.788 120.300 -0.147 0.000 2.181 747 Y HA -0.003 4.547 4.550 -0.000 0.000 0.288 747 Y C 2.689 178.544 175.900 -0.075 0.000 1.146 747 Y CA 0.613 58.670 58.100 -0.072 0.000 1.164 747 Y CB -0.773 37.684 38.460 -0.004 0.000 0.982 747 Y HN 0.208 nan 8.280 nan 0.000 0.515 748 A N -0.475 122.396 122.820 0.085 0.000 1.930 748 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 748 A C 2.436 180.006 177.584 -0.023 0.000 1.175 748 A CA 1.556 53.614 52.037 0.034 0.000 0.627 748 A CB -1.205 17.809 19.000 0.023 0.000 0.815 748 A HN 0.399 nan 8.150 nan 0.000 0.443 749 A N -0.402 122.346 122.820 -0.120 0.000 1.877 749 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 749 A C 2.223 179.701 177.584 -0.178 0.000 1.186 749 A CA 1.895 53.829 52.037 -0.172 0.000 0.620 749 A CB -0.982 17.819 19.000 -0.332 0.000 0.822 749 A HN 0.398 nan 8.150 nan 0.000 0.443 750 V N -0.233 119.493 119.914 -0.313 0.000 2.343 750 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 750 V C 2.739 178.887 176.094 0.090 0.000 1.051 750 V CA 2.446 64.710 62.300 -0.061 0.000 1.036 750 V CB -1.324 30.463 31.823 -0.059 0.000 0.654 750 V HN 0.616 nan 8.190 nan 0.000 0.451 751 T N 0.419 115.024 114.554 0.085 0.000 2.684 751 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 751 T C 1.833 176.566 174.700 0.056 0.000 1.036 751 T CA 1.699 63.867 62.100 0.113 0.000 1.148 751 T CB -0.396 68.555 68.868 0.139 0.000 0.863 751 T HN 0.420 nan 8.240 nan 0.000 0.436 752 N N 1.265 119.985 118.700 0.033 0.000 2.244 752 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 752 N C 1.535 177.047 175.510 0.004 0.000 1.016 752 N CA 0.858 53.917 53.050 0.016 0.000 0.866 752 N CB -0.396 38.100 38.487 0.014 0.000 0.980 752 N HN 0.368 nan 8.380 nan 0.000 0.430 753 D N 0.276 120.687 120.400 0.019 0.000 2.097 753 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 753 D C 2.028 178.261 176.300 -0.111 0.000 0.989 753 D CA 0.599 54.579 54.000 -0.034 0.000 0.827 753 D CB -0.515 40.289 40.800 0.006 0.000 0.966 753 D HN 0.206 nan 8.370 nan 0.000 0.456 754 c N 0.532 119.084 118.600 -0.080 0.000 2.429 754 c HA -0.039 4.531 4.570 -0.000 0.000 0.277 754 c C 2.722 176.766 174.090 -0.078 0.000 1.262 754 c CA 0.312 56.579 56.329 -0.104 0.000 1.733 754 c CB -1.234 41.236 42.510 -0.067 0.000 2.010 754 c HN 0.284 nan 8.230 nan 0.000 0.483 755 L N 0.975 122.172 121.223 -0.042 0.000 2.362 755 L HA -0.002 4.338 4.340 -0.000 0.000 0.219 755 L C 2.766 179.614 176.870 -0.038 0.000 1.134 755 L CA 1.168 55.989 54.840 -0.031 0.000 0.807 755 L CB -0.558 41.495 42.059 -0.010 0.000 0.927 755 L HN 0.451 nan 8.230 nan 0.000 0.447 756 A N -0.688 122.102 122.820 -0.050 0.000 2.123 756 A HA 0.139 4.459 4.320 -0.000 0.000 0.214 756 A C 0.944 178.489 177.584 -0.064 0.000 1.152 756 A CA 0.266 52.272 52.037 -0.051 0.000 0.728 756 A CB 0.098 19.067 19.000 -0.053 0.000 0.814 756 A HN 0.124 nan 8.150 nan 0.000 0.464 757 V N 1.590 121.455 119.914 -0.081 0.000 2.334 757 V HA 0.157 4.277 4.120 -0.000 0.000 0.281 757 V C 1.460 177.520 176.094 -0.057 0.000 1.016 757 V CA 0.243 62.495 62.300 -0.080 0.000 0.832 757 V CB 0.894 32.643 31.823 -0.123 0.000 0.999 757 V HN 0.583 nan 8.190 nan 0.000 0.439 758 S N 4.585 120.263 115.700 -0.036 0.000 2.440 758 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 758 S C 1.586 176.178 174.600 -0.013 0.000 1.010 758 S CA 0.934 59.121 58.200 -0.022 0.000 0.972 758 S CB -0.202 62.991 63.200 -0.012 0.000 0.774 758 S HN 0.668 nan 8.310 nan 0.000 0.501 759 R N 0.094 120.588 120.500 -0.010 0.000 2.299 759 R HA 0.183 4.523 4.340 -0.000 0.000 0.197 759 R C 0.465 176.767 176.300 0.003 0.000 0.971 759 R CA 0.118 56.225 56.100 0.012 0.000 1.030 759 R CB -0.930 29.391 30.300 0.034 0.000 0.932 759 R HN 0.499 nan 8.270 nan 0.000 0.477 760 c N 2.120 120.697 118.600 -0.037 0.000 2.520 760 c HA 0.169 4.739 4.570 -0.000 0.000 0.369 760 c C 2.078 176.119 174.090 -0.082 0.000 1.244 760 c CA -0.566 55.724 56.329 -0.064 0.000 1.677 760 c CB -1.277 41.165 42.510 -0.112 0.000 2.324 760 c HN 0.428 nan 8.230 nan 0.000 0.557 761 L N 5.286 126.472 121.223 -0.061 0.000 2.093 761 L HA 0.205 4.545 4.340 -0.000 0.000 0.208 761 L C 1.582 178.187 176.870 -0.443 0.000 1.085 761 L CA 1.314 56.104 54.840 -0.084 0.000 0.755 761 L CB -0.643 41.483 42.059 0.112 0.000 0.904 761 L HN 0.923 nan 8.230 nan 0.000 0.435 762 G N -0.950 107.464 108.800 -0.643 0.000 2.320 762 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 762 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 762 G C -1.823 172.662 174.900 -0.691 0.000 1.306 762 G CA -0.755 43.663 45.100 -1.137 0.000 0.836 762 G HN -0.103 nan 8.290 nan 0.000 0.517 763 I N 0.591 120.767 120.570 -0.656 0.000 2.466 763 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 763 I C -0.475 175.336 176.117 -0.510 0.000 1.026 763 I CA -0.615 60.383 61.300 -0.503 0.000 1.078 763 I CB 2.606 40.215 38.000 -0.652 0.000 1.249 763 I HN 0.340 nan 8.210 nan 0.000 0.429 764 T N 5.585 120.029 114.554 -0.183 0.000 2.786 764 T HA 0.415 4.765 4.350 -0.000 0.000 0.283 764 T C -0.218 174.482 174.700 0.000 0.000 0.992 764 T CA -0.527 61.530 62.100 -0.071 0.000 0.954 764 T CB 1.479 70.383 68.868 0.061 0.000 0.934 764 T HN 0.365 nan 8.240 nan 0.000 0.440 765 V N 1.432 121.387 119.914 0.067 0.000 2.567 765 V HA 0.442 4.562 4.120 -0.000 0.000 0.289 765 V C 0.333 176.557 176.094 0.217 0.000 1.049 765 V CA -1.125 61.320 62.300 0.241 0.000 0.969 765 V CB 1.118 33.190 31.823 0.415 0.000 0.995 765 V HN 0.995 nan 8.190 nan 0.000 0.471 766 W N 5.348 126.676 121.300 0.047 0.000 1.371 766 W HA 0.533 5.193 4.660 -0.000 0.000 0.482 766 W C 0.579 177.142 176.519 0.073 0.000 0.640 766 W CA 0.736 58.085 57.345 0.007 0.000 2.164 766 W CB -0.046 29.440 29.460 0.043 0.000 1.613 766 W HN 1.230 nan 8.180 nan 0.000 0.212 767 G N 0.186 108.897 108.800 -0.148 0.000 2.340 767 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.527 767 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.527 767 G C -0.615 174.286 174.900 0.002 0.000 1.381 767 G CA -0.645 44.396 45.100 -0.097 0.000 1.001 767 G HN 0.056 nan 8.290 nan 0.000 0.626 768 V N 0.385 120.319 119.914 0.033 0.000 2.502 768 V HA 0.313 4.433 4.120 -0.000 0.000 0.234 768 V C 1.512 177.733 176.094 0.212 0.000 1.072 768 V CA 1.475 63.813 62.300 0.064 0.000 1.094 768 V CB -0.403 31.282 31.823 -0.229 0.000 0.761 768 V HN 0.681 nan 8.190 nan 0.000 0.489 769 R N 0.566 121.176 120.500 0.185 0.000 2.668 769 R HA 0.297 4.637 4.340 -0.000 0.000 0.279 769 R C 0.627 177.047 176.300 0.200 0.000 0.976 769 R CA -0.634 55.596 56.100 0.217 0.000 0.978 769 R CB 0.943 31.342 30.300 0.165 0.000 1.133 769 R HN 0.176 nan 8.270 nan 0.000 0.484 770 D N 0.731 121.244 120.400 0.188 0.000 2.158 770 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 770 D C 1.667 178.048 176.300 0.134 0.000 0.995 770 D CA 2.216 56.313 54.000 0.162 0.000 0.846 770 D CB -0.158 40.719 40.800 0.129 0.000 0.941 770 D HN 0.695 nan 8.370 nan 0.000 0.456 771 T N -1.408 113.214 114.554 0.114 0.000 2.977 771 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 771 T C 1.141 175.893 174.700 0.087 0.000 1.105 771 T CA 0.897 63.049 62.100 0.087 0.000 1.116 771 T CB -0.003 68.906 68.868 0.069 0.000 0.878 771 T HN 0.017 nan 8.240 nan 0.000 0.509 772 D N 1.177 121.646 120.400 0.116 0.000 2.350 772 D HA 0.141 4.781 4.640 -0.000 0.000 0.213 772 D C 0.831 177.207 176.300 0.127 0.000 1.031 772 D CA 0.126 54.187 54.000 0.100 0.000 0.861 772 D CB 0.131 41.026 40.800 0.159 0.000 0.926 772 D HN 0.423 nan 8.370 nan 0.000 0.520 773 S N 1.241 117.048 115.700 0.179 0.000 2.562 773 S HA 0.022 4.492 4.470 -0.000 0.000 0.281 773 S C 1.322 176.120 174.600 0.330 0.000 1.333 773 S CA -0.799 57.574 58.200 0.288 0.000 1.052 773 S CB 0.570 63.942 63.200 0.286 0.000 0.884 773 S HN 0.338 nan 8.310 nan 0.000 0.506 774 W N 5.149 126.525 121.300 0.126 0.000 2.611 774 W HA 0.131 4.791 4.660 0.000 0.000 0.251 774 W C 0.283 176.849 176.519 0.078 0.000 1.265 774 W CA 0.054 57.466 57.345 0.111 0.000 1.295 774 W CB -0.771 28.796 29.460 0.179 0.000 1.129 774 W HN 0.632 nan 8.180 nan 0.000 0.630 775 R N 1.372 121.780 120.500 -0.153 0.000 2.701 775 R HA 0.081 4.421 4.340 -0.000 0.000 0.281 775 R C 1.605 177.866 176.300 -0.064 0.000 1.367 775 R CA 0.495 56.413 56.100 -0.305 0.000 1.510 775 R CB 0.392 30.312 30.300 -0.634 0.000 1.306 775 R HN 0.045 nan 8.270 nan 0.000 0.682 776 S N -0.948 114.762 115.700 0.017 0.000 2.419 776 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 776 S C 1.999 176.616 174.600 0.030 0.000 1.019 776 S CA 1.343 59.575 58.200 0.054 0.000 0.982 776 S CB -0.165 63.072 63.200 0.061 0.000 0.789 776 S HN 0.560 nan 8.310 nan 0.000 0.490 777 G N 1.627 110.424 108.800 -0.004 0.000 2.462 777 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 777 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 777 G C 0.952 175.854 174.900 0.003 0.000 1.121 777 G CA 0.938 46.036 45.100 -0.004 0.000 0.758 777 G HN 0.541 nan 8.290 nan 0.000 0.559 778 D N 0.615 121.012 120.400 -0.005 0.000 2.340 778 D HA 0.038 4.678 4.640 -0.000 0.000 0.220 778 D C 1.474 177.809 176.300 0.058 0.000 1.039 778 D CA 1.020 55.030 54.000 0.016 0.000 0.866 778 D CB -0.377 40.420 40.800 -0.004 0.000 0.913 778 D HN 0.380 nan 8.370 nan 0.000 0.523 779 T N -0.261 114.334 114.554 0.069 0.000 3.318 779 T HA -0.157 4.193 4.350 -0.000 0.000 0.413 779 T C -1.768 173.015 174.700 0.139 0.000 0.771 779 T CA 0.161 62.318 62.100 0.095 0.000 2.056 779 T CB -1.052 67.856 68.868 0.066 0.000 1.684 779 T HN 0.172 nan 8.240 nan 0.000 0.610 780 P HA 0.363 nan 4.420 nan 0.000 0.262 780 P C 0.606 178.139 177.300 0.389 0.000 1.304 780 P CA -0.338 62.918 63.100 0.259 0.000 0.859 780 P CB 0.409 32.249 31.700 0.233 0.000 1.310 781 L N -0.919 120.501 121.223 0.329 0.000 2.491 781 L HA 0.391 4.731 4.340 -0.000 0.000 0.264 781 L C 1.979 178.967 176.870 0.196 0.000 1.053 781 L CA -1.079 53.968 54.840 0.345 0.000 0.858 781 L CB 0.474 42.726 42.059 0.323 0.000 1.519 781 L HN -0.275 nan 8.230 nan 0.000 0.508 782 L N -0.710 120.601 121.223 0.147 0.000 2.529 782 L HA 0.201 4.541 4.340 -0.000 0.000 0.223 782 L C -0.521 176.198 176.870 -0.252 0.000 1.113 782 L CA 0.393 55.177 54.840 -0.094 0.000 0.861 782 L CB 0.113 42.108 42.059 -0.107 0.000 1.012 782 L HN 0.233 nan 8.230 nan 0.000 0.461 783 F N -0.198 119.799 119.950 0.079 0.000 2.551 783 F HA 0.367 4.894 4.527 -0.000 0.000 0.316 783 F C 0.414 176.234 175.800 0.033 0.000 1.089 783 F CA -1.099 56.915 58.000 0.023 0.000 0.915 783 F CB 1.131 40.138 39.000 0.012 0.000 1.186 783 F HN -0.107 nan 8.300 nan 0.000 0.456 784 N N 0.563 119.364 118.700 0.167 0.000 2.448 784 N HA 0.204 4.944 4.740 -0.000 0.000 0.274 784 N C 1.148 176.725 175.510 0.113 0.000 1.239 784 N CA -0.047 53.067 53.050 0.107 0.000 0.982 784 N CB 0.543 39.052 38.487 0.036 0.000 1.199 784 N HN 0.804 nan 8.380 nan 0.000 0.576 785 G N 0.192 109.039 108.800 0.079 0.000 2.469 785 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 785 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 785 G C 0.789 175.722 174.900 0.055 0.000 1.136 785 G CA 0.892 46.033 45.100 0.068 0.000 0.759 785 G HN 0.552 nan 8.290 nan 0.000 0.562 786 D N 0.478 120.903 120.400 0.042 0.000 2.350 786 D HA 0.054 4.694 4.640 -0.000 0.000 0.216 786 D C 2.158 178.478 176.300 0.034 0.000 0.968 786 D CA 1.240 55.256 54.000 0.026 0.000 0.894 786 D CB -0.227 40.576 40.800 0.006 0.000 0.909 786 D HN 0.482 nan 8.370 nan 0.000 0.520 787 G N 0.672 109.512 108.800 0.068 0.000 2.176 787 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 787 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 787 G C 0.431 175.419 174.900 0.148 0.000 0.979 787 G CA 0.536 45.679 45.100 0.071 0.000 0.641 787 G HN 0.506 nan 8.290 nan 0.000 0.530 788 S N -0.190 115.573 115.700 0.105 0.000 2.584 788 S HA 0.646 5.116 4.470 -0.000 0.000 0.273 788 S C 0.242 174.843 174.600 0.001 0.000 1.311 788 S CA -0.431 57.796 58.200 0.044 0.000 1.034 788 S CB 1.639 64.819 63.200 -0.033 0.000 0.939 788 S HN 0.432 nan 8.310 nan 0.000 0.513 789 K N 2.077 122.364 120.400 -0.187 0.000 2.412 789 K HA 0.167 4.487 4.320 -0.000 0.000 0.281 789 K C 0.170 176.596 176.600 -0.291 0.000 1.027 789 K CA 0.012 55.980 56.287 -0.530 0.000 0.989 789 K CB 0.446 32.516 32.500 -0.715 0.000 0.935 789 K HN 0.554 nan 8.250 nan 0.000 0.475 790 K N 0.967 121.201 120.400 -0.276 0.000 2.098 790 K HA 0.204 4.524 4.320 -0.000 0.000 0.244 790 K C 1.206 177.763 176.600 -0.072 0.000 1.014 790 K CA -0.324 55.881 56.287 -0.136 0.000 0.917 790 K CB 0.806 33.244 32.500 -0.103 0.000 1.072 790 K HN 0.615 nan 8.250 nan 0.000 0.477 791 A N 1.066 123.870 122.820 -0.027 0.000 1.940 791 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 791 A C 2.163 179.763 177.584 0.026 0.000 1.176 791 A CA 2.310 54.375 52.037 0.047 0.000 0.631 791 A CB -0.976 18.053 19.000 0.049 0.000 0.814 791 A HN 0.786 nan 8.150 nan 0.000 0.446 792 A N -1.628 121.175 122.820 -0.029 0.000 1.969 792 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 792 A C 2.067 179.521 177.584 -0.217 0.000 1.169 792 A CA 1.571 53.556 52.037 -0.087 0.000 0.635 792 A CB -0.750 18.183 19.000 -0.110 0.000 0.810 792 A HN 0.765 nan 8.150 nan 0.000 0.445 793 Y N 1.290 121.387 120.300 -0.339 0.000 2.097 793 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 793 Y C 2.586 178.324 175.900 -0.271 0.000 1.152 793 Y CA 2.510 60.364 58.100 -0.410 0.000 1.136 793 Y CB -0.802 37.308 38.460 -0.583 0.000 0.975 793 Y HN 0.290 nan 8.280 nan 0.000 0.498 794 T N 0.830 115.381 114.554 -0.005 0.000 2.759 794 T HA -0.205 4.144 4.350 -0.000 0.000 0.269 794 T C 2.071 176.704 174.700 -0.112 0.000 1.042 794 T CA 1.400 63.485 62.100 -0.024 0.000 1.140 794 T CB -0.758 68.152 68.868 0.071 0.000 0.864 794 T HN 0.527 nan 8.240 nan 0.000 0.455 795 A N 0.824 123.598 122.820 -0.077 0.000 1.898 795 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 795 A C 2.578 180.102 177.584 -0.100 0.000 1.181 795 A CA 1.232 53.244 52.037 -0.042 0.000 0.620 795 A CB -0.904 18.109 19.000 0.022 0.000 0.819 795 A HN 0.359 nan 8.150 nan 0.000 0.442 796 V N -0.281 119.513 119.914 -0.200 0.000 2.307 796 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 796 V C 2.481 178.404 176.094 -0.284 0.000 1.045 796 V CA 1.900 64.075 62.300 -0.209 0.000 1.024 796 V CB -0.795 30.834 31.823 -0.323 0.000 0.651 796 V HN 0.582 nan 8.190 nan 0.000 0.449 797 L N 1.103 122.044 121.223 -0.470 0.000 2.012 797 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 797 L C 2.202 178.955 176.870 -0.196 0.000 1.073 797 L CA 2.094 56.691 54.840 -0.404 0.000 0.748 797 L CB -1.062 40.705 42.059 -0.487 0.000 0.891 797 L HN 0.335 nan 8.230 nan 0.000 0.431 798 N N 0.142 118.756 118.700 -0.143 0.000 2.166 798 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 798 N C 1.819 177.297 175.510 -0.054 0.000 1.019 798 N CA 1.564 54.570 53.050 -0.073 0.000 0.856 798 N CB -0.602 37.858 38.487 -0.044 0.000 0.993 798 N HN 0.551 nan 8.380 nan 0.000 0.426 799 A N 1.167 123.955 122.820 -0.054 0.000 1.873 799 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 799 A C 2.350 179.922 177.584 -0.020 0.000 1.186 799 A CA 0.862 52.885 52.037 -0.023 0.000 0.616 799 A CB -0.780 18.218 19.000 -0.004 0.000 0.823 799 A HN 0.208 nan 8.150 nan 0.000 0.442 800 L N -0.073 121.129 121.223 -0.036 0.000 2.079 800 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 800 L C 1.504 178.360 176.870 -0.023 0.000 1.081 800 L CA 1.110 55.939 54.840 -0.018 0.000 0.752 800 L CB -0.580 41.453 42.059 -0.043 0.000 0.896 800 L HN 0.369 nan 8.230 nan 0.000 0.433 801 N N 0.098 118.774 118.700 -0.040 0.000 2.515 801 N HA -0.014 4.726 4.740 -0.000 0.000 0.191 801 N C 1.349 176.848 175.510 -0.019 0.000 1.182 801 N CA 1.027 54.059 53.050 -0.030 0.000 0.879 801 N CB 0.636 39.101 38.487 -0.037 0.000 0.984 801 N HN 0.497 nan 8.380 nan 0.000 0.453 802 G N -0.720 108.071 108.800 -0.015 0.000 2.213 802 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.236 802 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.236 802 G C 0.566 175.461 174.900 -0.009 0.000 0.991 802 G CA 0.173 45.267 45.100 -0.010 0.000 0.629 802 G HN 0.784 nan 8.290 nan 0.000 0.517 803 G N -1.180 107.613 108.800 -0.013 0.000 2.632 803 G HA2 0.270 4.230 3.960 -0.000 0.000 0.224 803 G HA3 0.270 4.230 3.960 -0.000 0.000 0.224 803 G C -0.123 174.772 174.900 -0.007 0.000 1.341 803 G CA 0.289 45.384 45.100 -0.009 0.000 0.880 803 G HN 1.722 nan 8.290 nan 0.000 0.566 804 S N -0.803 114.895 115.700 -0.003 0.000 2.568 804 S HA 0.646 5.116 4.470 -0.000 0.000 0.302 804 S C 0.979 175.579 174.600 -0.001 0.000 1.082 804 S CA 0.281 58.479 58.200 -0.003 0.000 1.009 804 S CB 1.779 64.977 63.200 -0.003 0.000 1.069 804 S HN 1.797 nan 8.310 nan 0.000 0.500 805 S N 0.046 115.745 115.700 -0.002 0.000 2.754 805 S HA 0.085 4.555 4.470 -0.000 0.000 0.223 805 S C 0.489 175.090 174.600 0.001 0.000 0.951 805 S CA -0.339 57.861 58.200 -0.001 0.000 0.954 805 S CB -0.873 62.325 63.200 -0.003 0.000 0.780 805 S HN 0.777 nan 8.310 nan 0.000 0.509 806 T N -0.329 114.226 114.554 0.002 0.000 3.064 806 T HA 0.489 4.839 4.350 -0.000 0.000 0.367 806 T C -3.244 171.461 174.700 0.009 0.000 1.202 806 T CA -2.115 59.988 62.100 0.005 0.000 1.133 806 T CB 0.731 69.601 68.868 0.003 0.000 1.074 806 T HN -0.114 nan 8.240 nan 0.000 0.519 807 P HA 0.194 nan 4.420 nan 0.000 0.256 807 P C -2.192 175.121 177.300 0.022 0.000 1.189 807 P CA -0.537 62.573 63.100 0.017 0.000 0.808 807 P CB -0.470 31.240 31.700 0.016 0.000 0.793 808 P HA 0.054 nan 4.420 nan 0.000 0.264 808 P C -2.125 175.202 177.300 0.043 0.000 1.183 808 P CA -0.557 62.566 63.100 0.038 0.000 0.763 808 P CB -0.627 31.106 31.700 0.055 0.000 0.807 809 P HA -0.014 nan 4.420 nan 0.000 0.264 809 P C -0.240 177.091 177.300 0.052 0.000 1.179 809 P CA 0.315 63.442 63.100 0.045 0.000 0.763 809 P CB 0.398 32.126 31.700 0.048 0.000 0.806 810 S N 2.662 118.386 115.700 0.041 0.000 2.466 810 S HA 0.535 5.005 4.470 -0.000 0.000 0.313 810 S C 0.007 174.629 174.600 0.035 0.000 1.078 810 S CA 0.262 58.486 58.200 0.039 0.000 1.115 810 S CB -1.288 61.931 63.200 0.031 0.000 1.006 810 S HN 0.887 nan 8.310 nan 0.000 0.487 811 G N 3.280 112.105 108.800 0.042 0.000 3.285 811 G HA2 0.362 4.322 3.960 -0.000 0.000 0.685 811 G HA3 0.362 4.322 3.960 -0.000 0.000 0.685 811 G C 0.576 175.495 174.900 0.030 0.000 0.938 811 G CA -0.386 44.734 45.100 0.033 0.000 0.778 811 G HN 1.893 nan 8.290 nan 0.000 0.515 812 G N 0.489 109.307 108.800 0.029 0.000 2.907 812 G HA2 0.491 4.451 3.960 -0.000 0.000 0.242 812 G HA3 0.491 4.451 3.960 -0.000 0.000 0.242 812 G C 1.385 176.310 174.900 0.041 0.000 1.448 812 G CA 0.998 46.108 45.100 0.016 0.000 0.911 812 G HN 3.207 nan 8.290 nan 0.000 0.553 813 G N -1.266 107.557 108.800 0.038 0.000 2.435 813 G HA2 0.525 4.485 3.960 -0.000 0.000 0.603 813 G HA3 0.525 4.485 3.960 -0.000 0.000 0.603 813 G C -0.603 174.363 174.900 0.109 0.000 1.496 813 G CA 0.327 45.463 45.100 0.060 0.000 0.896 813 G HN 0.974 nan 8.290 nan 0.000 0.657 814 Q N -0.393 119.467 119.800 0.099 0.000 2.317 814 Q HA 0.673 5.013 4.340 -0.000 0.000 0.229 814 Q C 0.136 176.206 176.000 0.118 0.000 0.984 814 Q CA -0.320 55.573 55.803 0.150 0.000 0.911 814 Q CB 1.779 30.581 28.738 0.107 0.000 1.217 814 Q HN 0.510 nan 8.270 nan 0.000 0.501 815 I N 1.917 122.549 120.570 0.103 0.000 2.464 815 I HA 0.249 4.419 4.170 -0.000 0.000 0.277 815 I C -0.675 175.538 176.117 0.160 0.000 1.040 815 I CA -0.464 60.851 61.300 0.025 0.000 1.153 815 I CB 0.964 38.807 38.000 -0.261 0.000 1.274 815 I HN 0.311 nan 8.210 nan 0.000 0.469 816 K N 4.225 124.733 120.400 0.180 0.000 2.234 816 K HA 0.463 4.783 4.320 -0.000 0.000 0.282 816 K C 0.474 177.189 176.600 0.191 0.000 1.039 816 K CA -0.444 55.950 56.287 0.179 0.000 0.928 816 K CB 1.608 34.157 32.500 0.082 0.000 1.039 816 K HN 0.673 nan 8.250 nan 0.000 0.470 817 G N 1.162 110.005 108.800 0.070 0.000 2.339 817 G HA2 0.208 4.168 3.960 -0.000 0.000 0.287 817 G HA3 0.208 4.168 3.960 -0.000 0.000 0.287 817 G C 1.164 175.875 174.900 -0.315 0.000 1.163 817 G CA -0.736 44.090 45.100 -0.457 0.000 0.872 817 G HN 0.502 nan 8.290 nan 0.000 0.464 818 V N 1.865 121.571 119.914 -0.347 0.000 2.407 818 V HA -0.051 4.069 4.120 -0.000 0.000 0.248 818 V C 2.417 178.389 176.094 -0.203 0.000 1.055 818 V CA 2.201 64.372 62.300 -0.216 0.000 1.049 818 V CB -0.976 30.732 31.823 -0.193 0.000 0.662 818 V HN 0.631 nan 8.190 nan 0.000 0.455 819 G N 0.196 108.835 108.800 -0.269 0.000 2.534 819 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.217 819 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.217 819 G C 1.602 176.407 174.900 -0.158 0.000 1.128 819 G CA 1.241 46.219 45.100 -0.203 0.000 0.784 819 G HN 0.889 nan 8.290 nan 0.000 0.542 820 S N -2.424 113.179 115.700 -0.162 0.000 2.589 820 S HA 0.393 4.863 4.470 -0.000 0.000 0.235 820 S C 1.905 176.458 174.600 -0.077 0.000 1.051 820 S CA 0.965 59.103 58.200 -0.104 0.000 0.978 820 S CB 0.415 63.563 63.200 -0.087 0.000 0.929 820 S HN 1.393 nan 8.310 nan 0.000 0.523 821 G N 1.915 110.666 108.800 -0.080 0.000 2.284 821 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.261 821 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.261 821 G C 0.327 175.219 174.900 -0.014 0.000 0.997 821 G CA 0.481 45.553 45.100 -0.046 0.000 0.621 821 G HN 0.638 nan 8.290 nan 0.000 0.534 822 R N -0.484 120.010 120.500 -0.009 0.000 2.649 822 R HA 0.557 4.897 4.340 -0.000 0.000 0.270 822 R C 0.232 176.597 176.300 0.109 0.000 1.105 822 R CA 0.093 56.212 56.100 0.032 0.000 1.193 822 R CB 0.511 30.820 30.300 0.015 0.000 1.120 822 R HN 0.276 nan 8.270 nan 0.000 0.561 823 c N 1.502 120.194 118.600 0.154 0.000 2.358 823 c HA 0.307 4.877 4.570 -0.000 0.000 0.354 823 c C -0.243 173.984 174.090 0.227 0.000 1.183 823 c CA -0.789 55.659 56.329 0.198 0.000 2.150 823 c CB 0.864 43.485 42.510 0.186 0.000 2.361 823 c HN 0.593 nan 8.230 nan 0.000 0.535 824 L N 3.663 124.986 121.223 0.166 0.000 2.562 824 L HA 0.233 4.573 4.340 -0.000 0.000 0.271 824 L C 0.014 177.074 176.870 0.317 0.000 1.167 824 L CA 1.298 56.171 54.840 0.055 0.000 0.917 824 L CB -0.315 41.473 42.059 -0.451 0.000 1.187 824 L HN 0.647 nan 8.230 nan 0.000 0.482 825 D N 3.706 124.280 120.400 0.289 0.000 2.738 825 D HA 0.269 4.909 4.640 -0.000 0.000 0.237 825 D C -1.317 175.135 176.300 0.254 0.000 1.123 825 D CA -0.430 53.749 54.000 0.298 0.000 0.856 825 D CB 2.385 43.358 40.800 0.289 0.000 1.552 825 D HN 0.215 nan 8.370 nan 0.000 0.480 826 V N 4.591 124.626 119.914 0.202 0.000 2.368 826 V HA 0.252 4.372 4.120 -0.000 0.000 0.266 826 V C -2.043 174.122 176.094 0.119 0.000 1.045 826 V CA -1.572 60.836 62.300 0.179 0.000 0.899 826 V CB 0.900 32.820 31.823 0.162 0.000 1.006 826 V HN 0.475 nan 8.190 nan 0.000 0.470 827 P HA -0.092 nan 4.420 nan 0.000 0.255 827 P C 0.350 177.658 177.300 0.014 0.000 1.141 827 P CA 0.819 63.936 63.100 0.029 0.000 0.767 827 P CB -0.167 31.560 31.700 0.045 0.000 0.726 828 N N 3.077 121.754 118.700 -0.037 0.000 2.727 828 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 828 N C 0.415 175.931 175.510 0.009 0.000 1.048 828 N CA 1.067 54.099 53.050 -0.030 0.000 0.714 828 N CB -1.756 36.713 38.487 -0.030 0.000 0.959 828 N HN 0.630 nan 8.380 nan 0.000 0.544 829 A N -1.713 121.142 122.820 0.058 0.000 2.715 829 A HA -0.272 4.048 4.320 -0.000 0.000 0.301 829 A C 0.960 178.558 177.584 0.024 0.000 1.515 829 A CA 1.361 53.472 52.037 0.123 0.000 0.816 829 A CB -1.638 17.412 19.000 0.082 0.000 1.004 829 A HN 0.953 nan 8.150 nan 0.000 0.483 830 S N -1.165 114.560 115.700 0.041 0.000 2.579 830 S HA 0.466 4.936 4.470 -0.000 0.000 0.275 830 S C 1.120 175.658 174.600 -0.104 0.000 1.345 830 S CA 0.781 58.963 58.200 -0.030 0.000 1.031 830 S CB 0.553 63.767 63.200 0.022 0.000 0.892 830 S HN 0.832 nan 8.310 nan 0.000 0.529 831 T N 2.976 117.419 114.554 -0.185 0.000 3.200 831 T HA 0.200 4.550 4.350 -0.000 0.000 0.284 831 T C -0.358 174.293 174.700 -0.082 0.000 1.009 831 T CA -0.232 61.725 62.100 -0.239 0.000 0.907 831 T CB 0.179 68.815 68.868 -0.387 0.000 1.120 831 T HN 0.623 nan 8.240 nan 0.000 0.534 832 T N 3.128 117.667 114.554 -0.025 0.000 2.749 832 T HA 0.260 4.610 4.350 -0.000 0.000 0.295 832 T C -0.118 174.611 174.700 0.048 0.000 0.936 832 T CA -0.665 61.436 62.100 0.001 0.000 1.060 832 T CB 0.732 69.606 68.868 0.011 0.000 0.904 832 T HN 0.082 nan 8.240 nan 0.000 0.500 833 D N 2.009 122.428 120.400 0.032 0.000 2.488 833 D HA 0.389 5.029 4.640 -0.000 0.000 0.238 833 D C 1.422 177.818 176.300 0.161 0.000 1.138 833 D CA 1.385 55.436 54.000 0.085 0.000 0.873 833 D CB 0.411 41.181 40.800 -0.050 0.000 1.183 833 D HN 0.852 nan 8.370 nan 0.000 0.458 834 G N 1.580 110.521 108.800 0.235 0.000 2.176 834 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.232 834 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.232 834 G C 0.478 175.466 174.900 0.146 0.000 0.986 834 G CA 0.099 45.316 45.100 0.194 0.000 0.643 834 G HN 0.571 nan 8.290 nan 0.000 0.522 835 T N 1.606 116.247 114.554 0.145 0.000 2.752 835 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 835 T C 0.436 175.219 174.700 0.138 0.000 0.923 835 T CA 0.315 62.490 62.100 0.125 0.000 1.112 835 T CB 1.409 70.350 68.868 0.120 0.000 0.884 835 T HN 0.541 nan 8.240 nan 0.000 0.525 836 Q N 3.457 123.326 119.800 0.115 0.000 2.332 836 Q HA 0.337 4.677 4.340 -0.000 0.000 0.263 836 Q C 0.229 176.296 176.000 0.111 0.000 0.979 836 Q CA -0.715 55.153 55.803 0.109 0.000 0.885 836 Q CB 0.608 29.400 28.738 0.090 0.000 1.218 836 Q HN 0.645 nan 8.270 nan 0.000 0.405 837 V N 1.722 121.700 119.914 0.107 0.000 3.083 837 V HA 0.424 4.544 4.120 -0.000 0.000 0.306 837 V C -0.460 175.690 176.094 0.092 0.000 1.077 837 V CA -0.305 62.063 62.300 0.115 0.000 1.073 837 V CB 1.187 33.062 31.823 0.086 0.000 1.081 837 V HN 1.009 nan 8.190 nan 0.000 0.474 838 Q N 2.110 121.982 119.800 0.120 0.000 2.615 838 Q HA 0.694 5.034 4.340 -0.000 0.000 0.298 838 Q C -1.532 174.573 176.000 0.175 0.000 1.023 838 Q CA -1.145 54.738 55.803 0.134 0.000 0.768 838 Q CB 2.272 31.095 28.738 0.141 0.000 1.500 838 Q HN 0.687 nan 8.270 nan 0.000 0.441 839 L N 1.827 123.164 121.223 0.189 0.000 2.264 839 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 839 L C -1.316 175.705 176.870 0.251 0.000 1.044 839 L CA -0.648 54.316 54.840 0.206 0.000 0.807 839 L CB 0.488 42.640 42.059 0.154 0.000 1.192 839 L HN 0.582 nan 8.230 nan 0.000 0.425 840 Y N 2.062 122.435 120.300 0.121 0.000 2.553 840 Y HA 0.263 4.813 4.550 0.000 0.000 0.347 840 Y C -0.239 175.737 175.900 0.127 0.000 1.019 840 Y CA -1.157 57.012 58.100 0.114 0.000 1.032 840 Y CB 1.733 40.273 38.460 0.134 0.000 1.284 840 Y HN 0.527 nan 8.280 nan 0.000 0.466 841 D N 3.280 123.374 120.400 -0.510 0.000 2.581 841 D HA -0.048 4.592 4.640 -0.000 0.000 0.238 841 D C -0.073 176.314 176.300 0.145 0.000 1.145 841 D CA 0.790 54.657 54.000 -0.222 0.000 0.866 841 D CB 0.288 40.854 40.800 -0.389 0.000 1.151 841 D HN 0.483 nan 8.370 nan 0.000 0.500 842 c N 4.744 123.431 118.600 0.146 0.000 2.611 842 c HA 0.187 4.757 4.570 -0.000 0.000 0.416 842 c C 0.681 174.940 174.090 0.282 0.000 1.366 842 c CA -0.027 56.423 56.329 0.202 0.000 1.761 842 c CB -0.925 41.654 42.510 0.114 0.000 2.619 842 c HN 0.738 nan 8.230 nan 0.000 0.606 843 H N -1.048 118.079 119.070 0.095 0.000 3.081 843 H HA 0.193 4.749 4.556 -0.000 0.000 0.322 843 H C -1.060 174.308 175.328 0.067 0.000 1.266 843 H CA -0.575 55.520 56.048 0.078 0.000 1.279 843 H CB 0.049 29.869 29.762 0.097 0.000 1.954 843 H HN 0.465 nan 8.280 nan 0.000 0.530 844 S N 1.044 116.737 115.700 -0.012 0.000 2.811 844 S HA 0.457 4.927 4.470 -0.000 0.000 0.325 844 S C 0.166 174.659 174.600 -0.179 0.000 1.224 844 S CA 0.745 58.901 58.200 -0.072 0.000 1.125 844 S CB -0.797 62.410 63.200 0.012 0.000 0.867 844 S HN 0.861 nan 8.310 nan 0.000 0.512 845 A N 3.426 126.095 122.820 -0.252 0.000 2.594 845 A HA 0.559 4.879 4.320 -0.000 0.000 0.296 845 A C 0.789 178.269 177.584 -0.174 0.000 1.056 845 A CA -0.820 51.081 52.037 -0.226 0.000 0.693 845 A CB 0.345 19.082 19.000 -0.439 0.000 1.278 845 A HN 0.452 nan 8.150 nan 0.000 0.408 846 T N 1.377 115.875 114.554 -0.094 0.000 2.833 846 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 846 T C 1.539 176.070 174.700 -0.282 0.000 1.054 846 T CA 1.709 63.742 62.100 -0.111 0.000 1.135 846 T CB -0.352 68.549 68.868 0.055 0.000 0.869 846 T HN 0.846 nan 8.240 nan 0.000 0.466 847 N N 1.281 119.888 118.700 -0.154 0.000 2.567 847 N HA -0.064 4.676 4.740 -0.000 0.000 0.195 847 N C 0.997 176.318 175.510 -0.315 0.000 1.242 847 N CA 0.429 53.322 53.050 -0.261 0.000 0.884 847 N CB -0.054 38.462 38.487 0.048 0.000 1.007 847 N HN 0.474 nan 8.380 nan 0.000 0.450 848 Q N -0.901 118.705 119.800 -0.325 0.000 2.113 848 Q HA 0.173 4.513 4.340 -0.000 0.000 0.225 848 Q C -0.514 175.374 176.000 -0.186 0.000 0.786 848 Q CA -0.223 55.500 55.803 -0.133 0.000 0.989 848 Q CB 0.847 29.558 28.738 -0.045 0.000 1.174 848 Q HN 0.236 nan 8.270 nan 0.000 0.470 849 Q N 0.266 119.818 119.800 -0.413 0.000 2.406 849 Q HA 0.132 4.472 4.340 -0.000 0.000 0.242 849 Q C -1.327 174.406 176.000 -0.445 0.000 1.036 849 Q CA 0.315 55.945 55.803 -0.288 0.000 0.904 849 Q CB 0.193 28.794 28.738 -0.229 0.000 1.244 849 Q HN 0.121 nan 8.270 nan 0.000 0.478 850 W N 1.408 122.638 121.300 -0.116 0.000 2.529 850 W HA 0.340 5.000 4.660 -0.000 0.000 0.321 850 W C 0.092 176.582 176.519 -0.049 0.000 1.047 850 W CA -0.548 56.730 57.345 -0.110 0.000 1.216 850 W CB 1.484 30.859 29.460 -0.141 0.000 1.357 850 W HN 0.160 nan 8.180 nan 0.000 0.489 851 T N 3.262 117.924 114.554 0.180 0.000 2.772 851 T HA 0.128 4.478 4.350 -0.000 0.000 0.288 851 T C -1.302 173.525 174.700 0.211 0.000 0.994 851 T CA -0.444 61.744 62.100 0.147 0.000 0.951 851 T CB 0.223 69.133 68.868 0.070 0.000 0.933 851 T HN 0.157 nan 8.240 nan 0.000 0.447 852 Y N 4.705 125.044 120.300 0.066 0.000 2.452 852 Y HA 0.358 4.908 4.550 -0.000 0.000 0.348 852 Y C 1.007 176.941 175.900 0.055 0.000 0.985 852 Y CA -1.057 57.077 58.100 0.058 0.000 1.214 852 Y CB -0.037 38.444 38.460 0.034 0.000 1.136 852 Y HN 0.708 nan 8.280 nan 0.000 0.523 853 T N 0.981 115.387 114.554 -0.247 0.000 2.874 853 T HA 0.135 4.485 4.350 -0.000 0.000 0.281 853 T C 0.848 175.312 174.700 -0.394 0.000 0.994 853 T CA -0.616 61.347 62.100 -0.228 0.000 1.015 853 T CB 0.910 69.710 68.868 -0.113 0.000 1.028 853 T HN 0.589 nan 8.240 nan 0.000 0.523 854 D N 0.781 121.058 120.400 -0.205 0.000 2.310 854 D HA 0.003 4.643 4.640 -0.000 0.000 0.212 854 D C 1.946 178.152 176.300 -0.158 0.000 0.965 854 D CA 1.133 55.034 54.000 -0.166 0.000 0.879 854 D CB -0.327 40.432 40.800 -0.068 0.000 0.921 854 D HN 0.760 nan 8.370 nan 0.000 0.510 855 A N -0.327 122.400 122.820 -0.155 0.000 2.251 855 A HA 0.403 4.723 4.320 -0.000 0.000 0.209 855 A C 1.725 179.224 177.584 -0.143 0.000 1.187 855 A CA 0.959 52.930 52.037 -0.109 0.000 0.823 855 A CB 0.021 18.976 19.000 -0.074 0.000 0.846 855 A HN 0.222 nan 8.150 nan 0.000 0.486 856 G N -0.600 108.027 108.800 -0.288 0.000 2.141 856 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.231 856 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.231 856 G C -0.179 174.746 174.900 0.041 0.000 0.984 856 G CA 0.226 45.197 45.100 -0.214 0.000 0.660 856 G HN 0.612 nan 8.290 nan 0.000 0.525 857 E N -0.639 119.554 120.200 -0.013 0.000 2.283 857 E HA 0.655 5.005 4.350 -0.000 0.000 0.267 857 E C 0.034 176.804 176.600 0.284 0.000 1.045 857 E CA -0.628 55.890 56.400 0.197 0.000 0.884 857 E CB 1.343 31.105 29.700 0.104 0.000 1.106 857 E HN 0.203 nan 8.360 nan 0.000 0.408 858 L N 2.834 124.262 121.223 0.342 0.000 2.356 858 L HA 0.358 4.698 4.340 -0.000 0.000 0.264 858 L C -0.121 176.976 176.870 0.379 0.000 1.029 858 L CA -0.316 54.697 54.840 0.288 0.000 0.897 858 L CB 0.591 42.619 42.059 -0.050 0.000 1.256 858 L HN 0.271 nan 8.230 nan 0.000 0.444 859 R N 1.597 122.261 120.500 0.272 0.000 2.459 859 R HA 0.676 5.016 4.340 -0.000 0.000 0.281 859 R C -0.803 175.467 176.300 -0.050 0.000 1.050 859 R CA -0.535 55.653 56.100 0.146 0.000 1.055 859 R CB 2.605 32.952 30.300 0.078 0.000 1.045 859 R HN 0.256 nan 8.270 nan 0.000 0.495 860 V N 3.362 123.111 119.914 -0.275 0.000 2.925 860 V HA 0.226 4.346 4.120 -0.000 0.000 0.311 860 V C -0.948 174.874 176.094 -0.453 0.000 1.104 860 V CA -0.427 61.429 62.300 -0.741 0.000 0.954 860 V CB 1.325 32.218 31.823 -1.548 0.000 1.022 860 V HN 0.933 nan 8.190 nan 0.000 0.427 861 Y N 3.768 123.926 120.300 -0.237 0.000 4.899 861 Y HA -0.240 4.310 4.550 0.000 0.000 0.241 861 Y C 1.728 177.573 175.900 -0.092 0.000 0.976 861 Y CA 1.680 59.692 58.100 -0.148 0.000 1.952 861 Y CB -1.941 36.441 38.460 -0.129 0.000 1.496 861 Y HN 1.770 nan 8.280 nan 0.000 0.545 862 G N -0.799 108.009 108.800 0.015 0.000 2.284 862 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.230 862 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.230 862 G C 0.446 175.370 174.900 0.041 0.000 1.021 862 G CA 0.653 45.767 45.100 0.023 0.000 0.619 862 G HN 0.531 nan 8.290 nan 0.000 0.510 863 D N -0.171 120.270 120.400 0.068 0.000 2.602 863 D HA 0.264 4.904 4.640 -0.000 0.000 0.265 863 D C 0.163 176.522 176.300 0.099 0.000 1.454 863 D CA -0.040 54.004 54.000 0.073 0.000 0.795 863 D CB 0.195 41.028 40.800 0.055 0.000 1.140 863 D HN 0.179 nan 8.370 nan 0.000 0.486 864 K N 0.181 120.652 120.400 0.119 0.000 2.207 864 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 864 K C -0.834 175.867 176.600 0.170 0.000 0.941 864 K CA -0.544 55.837 56.287 0.157 0.000 0.825 864 K CB 1.728 34.370 32.500 0.235 0.000 1.119 864 K HN 0.004 nan 8.250 nan 0.000 0.430 865 c N 2.339 121.087 118.600 0.247 0.000 2.456 865 c HA 0.352 4.922 4.570 -0.000 0.000 0.325 865 c C -0.095 174.223 174.090 0.381 0.000 1.217 865 c CA -0.994 55.519 56.329 0.306 0.000 1.687 865 c CB 0.923 43.602 42.510 0.281 0.000 2.270 865 c HN 0.740 nan 8.230 nan 0.000 0.499 866 L N 4.304 125.769 121.223 0.403 0.000 2.534 866 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 866 L C 0.090 177.251 176.870 0.486 0.000 1.178 866 L CA 1.393 56.401 54.840 0.280 0.000 0.907 866 L CB -0.140 41.788 42.059 -0.218 0.000 1.164 866 L HN 0.667 nan 8.230 nan 0.000 0.482 867 D N 4.372 125.021 120.400 0.414 0.000 2.646 867 D HA 0.537 5.177 4.640 -0.000 0.000 0.245 867 D C -1.383 175.109 176.300 0.320 0.000 1.099 867 D CA -0.491 53.736 54.000 0.379 0.000 0.849 867 D CB 2.144 43.143 40.800 0.332 0.000 1.448 867 D HN 0.658 nan 8.370 nan 0.000 0.489 868 A N 2.328 125.292 122.820 0.241 0.000 2.249 868 A HA 0.610 4.930 4.320 -0.000 0.000 0.314 868 A C 0.242 177.869 177.584 0.071 0.000 1.290 868 A CA -0.439 51.700 52.037 0.170 0.000 0.893 868 A CB 0.981 20.042 19.000 0.102 0.000 1.165 868 A HN 0.534 nan 8.150 nan 0.000 0.530 869 A N 2.652 125.513 122.820 0.069 0.000 3.117 869 A HA 0.594 4.914 4.320 -0.000 0.000 0.255 869 A C 0.856 178.455 177.584 0.026 0.000 1.583 869 A CA 0.509 52.564 52.037 0.029 0.000 1.234 869 A CB -1.082 17.940 19.000 0.038 0.000 1.076 869 A HN 2.388 nan 8.150 nan 0.000 0.653 870 G N -1.306 107.505 108.800 0.019 0.000 2.361 870 G HA2 0.332 4.292 3.960 -0.000 0.000 0.305 870 G HA3 0.332 4.292 3.960 -0.000 0.000 0.305 870 G C 0.131 175.032 174.900 0.002 0.000 1.367 870 G CA 0.323 45.430 45.100 0.012 0.000 0.951 870 G HN 0.872 nan 8.290 nan 0.000 0.615 871 T N -2.459 112.091 114.554 -0.007 0.000 3.003 871 T HA 0.553 4.903 4.350 -0.000 0.000 0.261 871 T C 1.172 175.859 174.700 -0.022 0.000 1.003 871 T CA 1.277 63.364 62.100 -0.022 0.000 0.917 871 T CB 0.689 69.537 68.868 -0.033 0.000 1.084 871 T HN 1.632 nan 8.240 nan 0.000 0.522 872 G N 1.218 110.010 108.800 -0.012 0.000 2.511 872 G HA2 0.495 4.455 3.960 -0.000 0.000 0.316 872 G HA3 0.495 4.455 3.960 -0.000 0.000 0.316 872 G C -0.454 174.434 174.900 -0.020 0.000 1.210 872 G CA -0.835 44.248 45.100 -0.028 0.000 0.969 872 G HN 0.217 nan 8.290 nan 0.000 0.492 873 N N -0.354 118.300 118.700 -0.078 0.000 2.407 873 N HA 0.225 4.965 4.740 -0.000 0.000 0.250 873 N C 1.371 176.949 175.510 0.114 0.000 1.236 873 N CA 1.518 54.526 53.050 -0.070 0.000 0.879 873 N CB 1.111 39.400 38.487 -0.329 0.000 1.088 873 N HN 1.117 nan 8.380 nan 0.000 0.450 874 G N 0.807 109.755 108.800 0.246 0.000 2.199 874 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.254 874 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.254 874 G C 0.278 175.255 174.900 0.127 0.000 0.982 874 G CA 0.489 45.702 45.100 0.189 0.000 0.632 874 G HN 0.639 nan 8.290 nan 0.000 0.529 875 T N 1.701 116.321 114.554 0.110 0.000 2.905 875 T HA 0.259 4.609 4.350 -0.000 0.000 0.299 875 T C 0.723 175.486 174.700 0.105 0.000 1.024 875 T CA 0.963 63.117 62.100 0.091 0.000 1.151 875 T CB 0.849 69.765 68.868 0.080 0.000 0.987 875 T HN 0.570 nan 8.240 nan 0.000 0.535 876 K N 3.638 124.093 120.400 0.092 0.000 2.412 876 K HA 0.191 4.511 4.320 -0.000 0.000 0.284 876 K C -0.734 175.933 176.600 0.112 0.000 1.046 876 K CA -0.428 55.916 56.287 0.094 0.000 0.999 876 K CB 0.327 32.877 32.500 0.083 0.000 0.941 876 K HN 0.306 nan 8.250 nan 0.000 0.474 877 V N 6.353 126.331 119.914 0.107 0.000 2.383 877 V HA 0.147 4.267 4.120 -0.000 0.000 0.275 877 V C 0.130 176.285 176.094 0.102 0.000 1.036 877 V CA -0.329 62.038 62.300 0.113 0.000 0.889 877 V CB 0.826 32.670 31.823 0.035 0.000 0.985 877 V HN 0.961 nan 8.190 nan 0.000 0.459 878 Q N 5.593 125.483 119.800 0.151 0.000 3.146 878 Q HA 0.785 5.125 4.340 -0.000 0.000 0.318 878 Q C -0.794 175.350 176.000 0.241 0.000 0.992 878 Q CA -1.105 54.804 55.803 0.178 0.000 0.809 878 Q CB 2.542 31.390 28.738 0.184 0.000 1.490 878 Q HN 0.635 nan 8.270 nan 0.000 0.493 879 I N -2.079 118.655 120.570 0.272 0.000 2.493 879 I HA 0.762 4.932 4.170 -0.000 0.000 0.298 879 I C -1.440 174.894 176.117 0.361 0.000 0.998 879 I CA -1.085 60.405 61.300 0.316 0.000 1.137 879 I CB 1.587 39.759 38.000 0.287 0.000 1.310 879 I HN 0.711 nan 8.210 nan 0.000 0.445 880 Y N 2.453 122.879 120.300 0.211 0.000 2.581 880 Y HA 0.419 4.969 4.550 -0.000 0.000 0.337 880 Y C -0.466 175.560 175.900 0.211 0.000 1.108 880 Y CA -0.721 57.498 58.100 0.197 0.000 1.033 880 Y CB 2.250 40.844 38.460 0.223 0.000 1.318 880 Y HN 0.748 nan 8.280 nan 0.000 0.459 881 S N 2.391 117.933 115.700 -0.264 0.000 2.575 881 S HA 0.035 4.505 4.470 -0.000 0.000 0.295 881 S C -0.402 174.360 174.600 0.269 0.000 1.267 881 S CA -0.164 58.003 58.200 -0.055 0.000 1.074 881 S CB -0.476 62.590 63.200 -0.223 0.000 0.829 881 S HN 0.623 nan 8.310 nan 0.000 0.497 882 c N 5.808 124.551 118.600 0.239 0.000 2.633 882 c HA 0.109 4.679 4.570 -0.000 0.000 0.415 882 c C 1.513 175.803 174.090 0.334 0.000 1.393 882 c CA -0.430 56.056 56.329 0.260 0.000 1.700 882 c CB -1.293 41.311 42.510 0.157 0.000 2.541 882 c HN 1.080 nan 8.230 nan 0.000 0.603 883 W N 1.419 122.799 121.300 0.134 0.000 2.079 883 W HA 0.377 5.037 4.660 0.000 0.000 0.285 883 W C 0.712 177.277 176.519 0.077 0.000 0.891 883 W CA 0.136 57.543 57.345 0.103 0.000 1.308 883 W CB -0.793 28.746 29.460 0.131 0.000 1.047 883 W HN 0.917 nan 8.180 nan 0.000 0.522 884 G N 1.514 110.061 108.800 -0.422 0.000 2.157 884 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.239 884 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.239 884 G C 0.613 175.010 174.900 -0.839 0.000 0.982 884 G CA -0.095 44.724 45.100 -0.469 0.000 0.650 884 G HN 0.675 nan 8.290 nan 0.000 0.527 885 G N -0.362 107.429 108.800 -1.683 0.000 2.554 885 G HA2 0.410 4.370 3.960 -0.000 0.000 0.238 885 G HA3 0.410 4.370 3.960 -0.000 0.000 0.238 885 G C 0.642 175.167 174.900 -0.625 0.000 1.259 885 G CA 0.422 44.661 45.100 -1.435 0.000 0.843 885 G HN 0.079 nan 8.290 nan 0.000 0.582 886 D N 0.250 120.413 120.400 -0.395 0.000 2.309 886 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 886 D C 2.077 178.161 176.300 -0.360 0.000 0.968 886 D CA 0.847 54.662 54.000 -0.308 0.000 0.882 886 D CB 0.160 40.838 40.800 -0.203 0.000 0.918 886 D HN 0.596 nan 8.370 nan 0.000 0.503 887 N N 0.180 118.699 118.700 -0.302 0.000 2.461 887 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 887 N C 0.863 176.173 175.510 -0.333 0.000 1.134 887 N CA 0.298 53.173 53.050 -0.291 0.000 0.878 887 N CB 0.039 38.463 38.487 -0.104 0.000 0.972 887 N HN 0.276 nan 8.380 nan 0.000 0.456 888 Q N -0.554 119.033 119.800 -0.354 0.000 2.189 888 Q HA 0.204 4.544 4.340 -0.000 0.000 0.223 888 Q C -0.440 175.401 176.000 -0.266 0.000 0.828 888 Q CA -0.176 55.533 55.803 -0.157 0.000 0.967 888 Q CB 0.912 29.588 28.738 -0.103 0.000 1.139 888 Q HN 0.130 nan 8.270 nan 0.000 0.497 889 K N 0.455 120.522 120.400 -0.556 0.000 2.138 889 K HA 0.376 4.696 4.320 -0.000 0.000 0.263 889 K C -0.964 175.210 176.600 -0.712 0.000 0.965 889 K CA -0.025 56.024 56.287 -0.396 0.000 0.868 889 K CB 1.119 33.456 32.500 -0.271 0.000 1.083 889 K HN -0.049 nan 8.250 nan 0.000 0.443 890 W N 0.957 122.297 121.300 0.067 0.000 3.032 890 W HA 0.450 5.110 4.660 -0.000 0.000 0.335 890 W C 0.038 176.633 176.519 0.126 0.000 1.154 890 W CA -0.787 56.596 57.345 0.063 0.000 1.204 890 W CB 1.271 30.743 29.460 0.020 0.000 1.416 890 W HN 0.187 nan 8.180 nan 0.000 0.521 891 R N 2.279 122.924 120.500 0.241 0.000 2.338 891 R HA 0.529 4.869 4.340 -0.000 0.000 0.317 891 R C -0.808 175.526 176.300 0.057 0.000 0.968 891 R CA -0.947 55.243 56.100 0.150 0.000 0.849 891 R CB 1.231 31.579 30.300 0.080 0.000 1.128 891 R HN 0.418 nan 8.270 nan 0.000 0.448 892 L N 4.143 125.342 121.223 -0.040 0.000 2.288 892 L HA 0.266 4.606 4.340 -0.000 0.000 0.283 892 L C 0.020 176.865 176.870 -0.042 0.000 1.072 892 L CA -0.676 54.085 54.840 -0.131 0.000 0.862 892 L CB 0.141 41.995 42.059 -0.341 0.000 1.245 892 L HN 0.432 nan 8.230 nan 0.000 0.432 893 N N 0.934 119.632 118.700 -0.003 0.000 2.453 893 N HA -0.010 4.730 4.740 -0.000 0.000 0.253 893 N C 1.258 176.768 175.510 0.000 0.000 1.252 893 N CA 0.120 53.177 53.050 0.011 0.000 0.917 893 N CB 1.499 40.003 38.487 0.027 0.000 1.117 893 N HN 0.559 nan 8.380 nan 0.000 0.442 894 S N 0.007 115.706 115.700 -0.002 0.000 2.442 894 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 894 S C 0.914 175.513 174.600 -0.003 0.000 1.007 894 S CA 1.026 59.222 58.200 -0.006 0.000 0.965 894 S CB -0.189 63.005 63.200 -0.010 0.000 0.773 894 S HN 0.705 nan 8.310 nan 0.000 0.504 895 D N 0.749 121.150 120.400 0.003 0.000 2.352 895 D HA 0.216 4.856 4.640 -0.000 0.000 0.232 895 D C 1.416 177.719 176.300 0.004 0.000 1.055 895 D CA 0.628 54.628 54.000 0.000 0.000 0.891 895 D CB -0.776 40.026 40.800 0.003 0.000 0.897 895 D HN 0.580 nan 8.370 nan 0.000 0.529 896 G N 0.040 108.850 108.800 0.016 0.000 2.225 896 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 896 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 896 G C 0.426 175.397 174.900 0.118 0.000 0.988 896 G CA 0.429 45.553 45.100 0.041 0.000 0.625 896 G HN 0.859 nan 8.290 nan 0.000 0.527 897 S N -0.080 115.680 115.700 0.100 0.000 2.592 897 S HA 0.711 5.181 4.470 -0.000 0.000 0.271 897 S C 0.083 174.764 174.600 0.134 0.000 1.326 897 S CA -0.468 57.831 58.200 0.164 0.000 1.024 897 S CB 1.718 64.982 63.200 0.107 0.000 0.921 897 S HN 0.635 nan 8.310 nan 0.000 0.527 898 I N 2.420 123.077 120.570 0.145 0.000 2.390 898 I HA 0.311 4.481 4.170 -0.000 0.000 0.283 898 I C -0.959 175.250 176.117 0.154 0.000 1.016 898 I CA -0.867 60.452 61.300 0.032 0.000 1.151 898 I CB 1.656 39.510 38.000 -0.245 0.000 1.293 898 I HN 0.409 nan 8.210 nan 0.000 0.458 899 V N 4.859 124.880 119.914 0.178 0.000 2.472 899 V HA 0.478 4.598 4.120 -0.000 0.000 0.290 899 V C 0.853 177.068 176.094 0.202 0.000 1.037 899 V CA -0.634 61.775 62.300 0.182 0.000 0.908 899 V CB 1.608 33.478 31.823 0.079 0.000 0.985 899 V HN 0.842 nan 8.190 nan 0.000 0.454 900 G N 2.765 111.622 108.800 0.095 0.000 2.364 900 G HA2 0.370 4.330 3.960 -0.000 0.000 0.267 900 G HA3 0.370 4.330 3.960 -0.000 0.000 0.267 900 G C 0.913 175.633 174.900 -0.300 0.000 1.233 900 G CA -0.298 44.573 45.100 -0.383 0.000 0.885 900 G HN 0.555 nan 8.290 nan 0.000 0.490 901 V N 2.240 121.930 119.914 -0.374 0.000 2.255 901 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 901 V C 2.881 178.850 176.094 -0.208 0.000 1.051 901 V CA 2.478 64.633 62.300 -0.242 0.000 1.018 901 V CB -0.638 31.041 31.823 -0.240 0.000 0.641 901 V HN 0.870 nan 8.190 nan 0.000 0.445 902 Q N 0.122 119.770 119.800 -0.254 0.000 2.079 902 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 902 Q C 2.326 178.248 176.000 -0.131 0.000 0.974 902 Q CA 2.191 57.890 55.803 -0.173 0.000 0.840 902 Q CB -0.078 28.554 28.738 -0.176 0.000 0.898 902 Q HN 0.777 nan 8.270 nan 0.000 0.430 903 S N -1.920 113.692 115.700 -0.147 0.000 2.486 903 S HA 0.175 4.645 4.470 -0.000 0.000 0.220 903 S C 1.416 175.973 174.600 -0.072 0.000 1.011 903 S CA 0.610 58.755 58.200 -0.093 0.000 0.921 903 S CB 0.404 63.560 63.200 -0.075 0.000 0.785 903 S HN 0.649 nan 8.310 nan 0.000 0.517 904 G N 0.758 109.510 108.800 -0.079 0.000 2.153 904 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.252 904 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.252 904 G C -0.266 174.622 174.900 -0.019 0.000 0.994 904 G CA 0.534 45.603 45.100 -0.051 0.000 0.698 904 G HN 0.488 nan 8.290 nan 0.000 0.521 905 L N -0.255 120.967 121.223 -0.001 0.000 2.334 905 L HA 0.726 5.066 4.340 -0.000 0.000 0.270 905 L C 0.834 177.777 176.870 0.122 0.000 1.018 905 L CA -0.831 54.035 54.840 0.044 0.000 0.811 905 L CB 1.622 43.702 42.059 0.035 0.000 1.271 905 L HN 0.206 nan 8.230 nan 0.000 0.443 906 c N 1.761 120.450 118.600 0.148 0.000 2.370 906 c HA 0.438 5.008 4.570 -0.000 0.000 0.354 906 c C 0.401 174.625 174.090 0.223 0.000 1.218 906 c CA -1.138 55.306 56.329 0.192 0.000 2.154 906 c CB 0.573 43.188 42.510 0.175 0.000 2.391 906 c HN 0.524 nan 8.230 nan 0.000 0.540 907 L N 3.742 125.082 121.223 0.194 0.000 2.534 907 L HA 0.133 4.473 4.340 -0.000 0.000 0.271 907 L C 0.266 177.319 176.870 0.305 0.000 1.178 907 L CA 0.972 55.878 54.840 0.111 0.000 0.907 907 L CB -0.079 41.819 42.059 -0.269 0.000 1.164 907 L HN 0.686 nan 8.230 nan 0.000 0.482 908 D N 3.542 124.088 120.400 0.242 0.000 2.649 908 D HA 0.379 5.019 4.640 -0.000 0.000 0.249 908 D C -0.700 175.701 176.300 0.169 0.000 1.112 908 D CA -0.501 53.628 54.000 0.215 0.000 0.850 908 D CB 2.227 43.131 40.800 0.173 0.000 1.399 908 D HN 0.488 nan 8.370 nan 0.000 0.503 909 A N 3.761 126.662 122.820 0.135 0.000 2.396 909 A HA 0.340 4.660 4.320 -0.000 0.000 0.279 909 A C 0.516 178.110 177.584 0.017 0.000 1.165 909 A CA -0.468 51.623 52.037 0.090 0.000 0.824 909 A CB 0.137 19.157 19.000 0.033 0.000 1.100 909 A HN 0.459 nan 8.150 nan 0.000 0.516 910 V N 3.018 122.947 119.914 0.025 0.000 2.678 910 V HA 0.138 4.258 4.120 -0.000 0.000 0.304 910 V C 1.755 177.826 176.094 -0.037 0.000 1.086 910 V CA 1.742 64.037 62.300 -0.009 0.000 1.246 910 V CB -0.454 31.380 31.823 0.018 0.000 0.861 910 V HN 1.889 nan 8.190 nan 0.000 0.491 911 G N 3.971 112.724 108.800 -0.079 0.000 2.269 911 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.277 911 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.277 911 G C 1.207 176.063 174.900 -0.074 0.000 1.008 911 G CA 0.837 45.888 45.100 -0.080 0.000 0.774 911 G HN 2.481 nan 8.290 nan 0.000 0.511 912 G N -1.679 107.072 108.800 -0.082 0.000 2.175 912 G HA2 0.120 4.080 3.960 -0.000 0.000 0.265 912 G HA3 0.120 4.080 3.960 -0.000 0.000 0.265 912 G C 1.446 176.310 174.900 -0.060 0.000 0.979 912 G CA 1.024 46.077 45.100 -0.078 0.000 0.663 912 G HN 2.185 nan 8.290 nan 0.000 0.533 913 G N -0.552 108.224 108.800 -0.040 0.000 2.391 913 G HA2 0.465 4.425 3.960 -0.000 0.000 0.234 913 G HA3 0.465 4.425 3.960 -0.000 0.000 0.234 913 G C 1.059 175.942 174.900 -0.029 0.000 1.284 913 G CA 1.160 46.245 45.100 -0.025 0.000 0.873 913 G HN 1.415 nan 8.290 nan 0.000 0.549 914 T N -1.590 112.946 114.554 -0.031 0.000 3.016 914 T HA 0.576 4.926 4.350 -0.000 0.000 0.271 914 T C 1.020 175.704 174.700 -0.027 0.000 0.968 914 T CA 0.623 62.699 62.100 -0.040 0.000 0.891 914 T CB 0.291 69.123 68.868 -0.060 0.000 1.149 914 T HN 0.929 nan 8.240 nan 0.000 0.524 915 A N 2.087 124.898 122.820 -0.014 0.000 2.313 915 A HA 0.524 4.844 4.320 -0.000 0.000 0.261 915 A C 0.356 177.948 177.584 0.012 0.000 1.090 915 A CA -0.675 51.354 52.037 -0.013 0.000 0.807 915 A CB 0.053 19.051 19.000 -0.004 0.000 1.055 915 A HN 0.438 nan 8.150 nan 0.000 0.492 916 N N -0.128 118.569 118.700 -0.004 0.000 2.407 916 N HA 0.251 4.991 4.740 -0.000 0.000 0.250 916 N C 1.139 176.747 175.510 0.163 0.000 1.236 916 N CA 1.751 54.842 53.050 0.068 0.000 0.879 916 N CB 0.826 39.296 38.487 -0.027 0.000 1.088 916 N HN 1.262 nan 8.380 nan 0.000 0.450 917 G N 1.023 109.964 108.800 0.235 0.000 2.195 917 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 917 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 917 G C 0.159 175.127 174.900 0.114 0.000 0.984 917 G CA 0.178 45.377 45.100 0.165 0.000 0.633 917 G HN 0.589 nan 8.290 nan 0.000 0.525 918 T N 2.765 117.381 114.554 0.103 0.000 2.817 918 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 918 T C 1.085 175.840 174.700 0.091 0.000 0.958 918 T CA 0.070 62.216 62.100 0.078 0.000 1.157 918 T CB 0.736 69.639 68.868 0.059 0.000 0.898 918 T HN 0.371 nan 8.240 nan 0.000 0.536 919 L N 3.788 125.057 121.223 0.076 0.000 2.464 919 L HA 0.349 4.689 4.340 -0.000 0.000 0.264 919 L C 0.408 177.326 176.870 0.080 0.000 1.199 919 L CA -0.760 54.126 54.840 0.078 0.000 0.818 919 L CB 0.267 42.366 42.059 0.067 0.000 1.102 919 L HN 0.393 nan 8.230 nan 0.000 0.473 920 I N 1.827 122.440 120.570 0.071 0.000 2.377 920 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 920 I C 0.055 176.209 176.117 0.062 0.000 0.987 920 I CA -0.214 61.124 61.300 0.063 0.000 1.185 920 I CB 1.407 39.397 38.000 -0.016 0.000 1.341 920 I HN 0.748 nan 8.210 nan 0.000 0.455 921 Q N 5.950 125.803 119.800 0.089 0.000 2.683 921 Q HA 0.732 5.072 4.340 -0.000 0.000 0.302 921 Q C -1.784 174.309 176.000 0.155 0.000 1.042 921 Q CA -0.966 54.907 55.803 0.116 0.000 0.773 921 Q CB 2.504 31.316 28.738 0.123 0.000 1.508 921 Q HN 0.477 nan 8.270 nan 0.000 0.459 922 L N 0.796 122.129 121.223 0.184 0.000 2.344 922 L HA 0.671 5.011 4.340 -0.000 0.000 0.272 922 L C -1.286 175.745 176.870 0.270 0.000 1.035 922 L CA -0.890 54.073 54.840 0.205 0.000 0.807 922 L CB 1.316 43.472 42.059 0.162 0.000 1.237 922 L HN 0.700 nan 8.230 nan 0.000 0.442 923 Y N -0.214 120.133 120.300 0.079 0.000 2.583 923 Y HA 0.113 4.663 4.550 -0.000 0.000 0.330 923 Y C -0.170 175.761 175.900 0.052 0.000 1.185 923 Y CA -0.777 57.357 58.100 0.057 0.000 1.107 923 Y CB 1.643 40.135 38.460 0.054 0.000 1.344 923 Y HN 0.542 nan 8.280 nan 0.000 0.463 924 S N 2.557 118.110 115.700 -0.245 0.000 2.642 924 S HA -0.030 4.440 4.470 -0.000 0.000 0.308 924 S C -0.246 174.417 174.600 0.105 0.000 1.255 924 S CA 0.108 58.260 58.200 -0.080 0.000 1.057 924 S CB -0.406 62.699 63.200 -0.157 0.000 0.785 924 S HN 0.607 nan 8.310 nan 0.000 0.500 925 c N 3.773 122.419 118.600 0.076 0.000 2.642 925 c HA 0.255 4.825 4.570 -0.000 0.000 0.420 925 c C 1.888 176.026 174.090 0.081 0.000 1.349 925 c CA -0.124 56.260 56.329 0.091 0.000 1.821 925 c CB -0.360 42.188 42.510 0.064 0.000 2.637 925 c HN 1.034 nan 8.230 nan 0.000 0.605 926 S N 0.705 116.454 115.700 0.081 0.000 2.687 926 S HA 0.105 4.574 4.470 -0.000 0.000 0.247 926 S C 0.661 175.277 174.600 0.026 0.000 1.050 926 S CA 0.093 58.328 58.200 0.058 0.000 1.063 926 S CB -0.139 63.104 63.200 0.072 0.000 1.039 926 S HN 0.840 nan 8.310 nan 0.000 0.580 927 N N 1.060 119.772 118.700 0.020 0.000 2.965 927 N HA -0.110 4.630 4.740 -0.000 0.000 0.232 927 N C 0.561 176.054 175.510 -0.028 0.000 0.913 927 N CA 0.897 53.945 53.050 -0.003 0.000 0.981 927 N CB -1.749 36.735 38.487 -0.004 0.000 1.077 927 N HN 0.696 nan 8.380 nan 0.000 0.589 928 G N 0.409 109.193 108.800 -0.027 0.000 2.690 928 G HA2 0.227 4.187 3.960 -0.000 0.000 0.239 928 G HA3 0.227 4.187 3.960 -0.000 0.000 0.239 928 G C 1.035 175.870 174.900 -0.107 0.000 1.233 928 G CA 0.554 45.619 45.100 -0.058 0.000 0.847 928 G HN 0.333 nan 8.290 nan 0.000 0.588 929 S N -0.281 115.340 115.700 -0.131 0.000 2.522 929 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 929 S C 1.600 176.024 174.600 -0.293 0.000 0.986 929 S CA 0.818 58.902 58.200 -0.192 0.000 0.929 929 S CB -0.151 62.955 63.200 -0.157 0.000 0.769 929 S HN 0.744 nan 8.310 nan 0.000 0.529 930 N N 0.960 119.515 118.700 -0.242 0.000 2.383 930 N HA 0.045 4.785 4.740 -0.000 0.000 0.192 930 N C 0.852 176.182 175.510 -0.300 0.000 1.141 930 N CA 0.073 52.952 53.050 -0.284 0.000 0.851 930 N CB -0.144 38.249 38.487 -0.156 0.000 0.976 930 N HN 0.566 nan 8.380 nan 0.000 0.465 931 Q N -0.429 119.199 119.800 -0.287 0.000 2.140 931 Q HA 0.274 4.614 4.340 -0.000 0.000 0.227 931 Q C -0.357 175.510 176.000 -0.222 0.000 0.798 931 Q CA -0.255 55.497 55.803 -0.085 0.000 0.987 931 Q CB 1.251 30.023 28.738 0.058 0.000 1.161 931 Q HN 0.232 nan 8.270 nan 0.000 0.480 932 R N -0.097 120.076 120.500 -0.545 0.000 2.474 932 R HA 0.455 4.795 4.340 -0.000 0.000 0.295 932 R C -1.277 174.550 176.300 -0.789 0.000 0.980 932 R CA -0.101 55.754 56.100 -0.409 0.000 0.934 932 R CB 0.977 31.135 30.300 -0.237 0.000 1.101 932 R HN -0.070 nan 8.270 nan 0.000 0.469 933 W N -0.380 120.869 121.300 -0.085 0.000 3.032 933 W HA 0.517 5.177 4.660 0.000 0.000 0.341 933 W C -0.238 176.228 176.519 -0.088 0.000 1.202 933 W CA -0.743 56.543 57.345 -0.098 0.000 1.132 933 W CB 1.601 30.975 29.460 -0.144 0.000 1.465 933 W HN 0.309 nan 8.180 nan 0.000 0.576 934 T N 0.678 115.331 114.554 0.165 0.000 2.933 934 T HA 0.605 4.955 4.350 -0.000 0.000 0.305 934 T C -1.303 173.433 174.700 0.061 0.000 1.092 934 T CA -0.734 61.409 62.100 0.071 0.000 1.008 934 T CB 1.097 69.984 68.868 0.032 0.000 1.102 934 T HN 0.389 nan 8.240 nan 0.000 0.469 935 R N 2.111 122.628 120.500 0.029 0.000 2.349 935 R HA 0.762 5.102 4.340 -0.000 0.000 0.299 935 R C 0.162 176.481 176.300 0.032 0.000 1.027 935 R CA 0.084 56.199 56.100 0.025 0.000 0.958 935 R CB 1.143 31.448 30.300 0.009 0.000 1.047 935 R HN 0.939 nan 8.270 nan 0.000 0.468 936 T N 0.000 114.578 114.554 0.041 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.122 62.100 0.037 0.000 1.349 936 T CB 0.000 68.890 68.868 0.037 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658