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 1hw8_1_A DATA FIRST_RESID 441 DATA SEQUENCE EPRPNEECXX XXXXXXXXXX XLSDAEIIQL VNXXXXPAYK LETLIETHER DATA SEQUENCE GVSIRRQLLS KKLSEPSSLQ YLPYRDYNYS LVMGACCENV IGYMPIPVGV DATA SEQUENCE AGPLCLDEKE FQVPMATTEG CLVASTNRGC RAIGLGGGAS SRVLADGMTR DATA SEQUENCE GPVVRLPRAC DSAEVKAWLE TSEGFAVIKE AFDSTSRFAR LQKLHTSIAG DATA SEQUENCE RNLYIRFQSR SGDAMGMNMI SKGTEKALSK LHEYFPEMQI LAVSGNYCTD DATA SEQUENCE KKPAAINWIE GRGKSVVCEA VIPAKVVREV LKTTTEAMIE VNINKNLVGS DATA SEQUENCE AMAGSIGGYN AHAANIVTAI YIACGQDAAQ NVGSSNCITL MEASGPTNED DATA SEQUENCE LYISCTMPSI EIGTVGGGTN LLPQQACLQM LGVQGACKDN PGENARQLAR DATA SEQUENCE IVCGTVMAGE LSLMAALAAG H 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 441 E HA 0.000 nan 4.350 nan 0.000 0.291 441 E C 0.000 176.598 176.600 -0.004 0.000 1.382 441 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 441 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 442 P HA 0.043 nan 4.420 nan 0.000 0.261 442 P C -0.835 176.461 177.300 -0.006 0.000 1.203 442 P CA 0.408 63.504 63.100 -0.006 0.000 0.767 442 P CB 0.222 31.918 31.700 -0.007 0.000 0.785 443 R N 3.720 124.217 120.500 -0.006 0.000 2.560 443 R HA 0.496 4.835 4.340 -0.001 0.000 0.270 443 R C -2.372 173.924 176.300 -0.007 0.000 1.074 443 R CA -2.008 54.088 56.100 -0.006 0.000 1.140 443 R CB -0.866 29.431 30.300 -0.005 0.000 1.073 443 R HN 0.201 nan 8.270 nan 0.000 0.527 444 P HA -0.109 nan 4.420 nan 0.000 0.269 444 P C -0.023 177.272 177.300 -0.008 0.000 1.200 444 P CA 0.066 63.162 63.100 -0.007 0.000 0.779 444 P CB 0.433 32.129 31.700 -0.006 0.000 0.841 445 N N 1.278 119.973 118.700 -0.009 0.000 2.142 445 N HA -0.169 4.571 4.740 -0.001 0.000 0.186 445 N C 1.539 177.043 175.510 -0.010 0.000 1.023 445 N CA 1.173 54.217 53.050 -0.010 0.000 0.852 445 N CB -0.389 38.092 38.487 -0.011 0.000 0.998 445 N HN 0.623 nan 8.380 nan 0.000 0.424 446 E N 1.018 121.213 120.200 -0.009 0.000 2.204 446 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 446 E C 1.575 178.171 176.600 -0.008 0.000 0.990 446 E CA 0.860 57.255 56.400 -0.008 0.000 0.821 446 E CB 0.099 29.794 29.700 -0.007 0.000 0.750 446 E HN 0.381 nan 8.360 nan 0.000 0.477 447 E N -0.660 119.535 120.200 -0.007 0.000 2.230 447 E HA -0.037 4.312 4.350 -0.001 0.000 0.192 447 E C 0.221 176.817 176.600 -0.008 0.000 0.987 447 E CA 0.138 56.534 56.400 -0.007 0.000 0.841 447 E CB 0.292 29.988 29.700 -0.006 0.000 0.783 447 E HN 0.241 nan 8.360 nan 0.000 0.481 463 S N -1.906 113.791 115.700 -0.005 0.000 2.707 463 S HA 0.357 4.827 4.470 -0.001 0.000 0.276 463 S C 0.169 174.766 174.600 -0.005 0.000 1.179 463 S CA -0.491 57.707 58.200 -0.003 0.000 0.992 463 S CB 1.765 64.964 63.200 -0.002 0.000 1.030 463 S HN 0.646 nan 8.310 nan 0.000 0.554 464 D N 1.108 121.506 120.400 -0.003 0.000 2.097 464 D HA 0.007 4.646 4.640 -0.001 0.000 0.195 464 D C 2.227 178.520 176.300 -0.012 0.000 0.989 464 D CA 1.896 55.892 54.000 -0.007 0.000 0.827 464 D CB -0.897 39.900 40.800 -0.005 0.000 0.966 464 D HN 0.690 nan 8.370 nan 0.000 0.456 465 A N 0.844 123.659 122.820 -0.010 0.000 1.940 465 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 465 A C 2.029 179.606 177.584 -0.012 0.000 1.176 465 A CA 1.598 53.629 52.037 -0.011 0.000 0.631 465 A CB -0.496 18.498 19.000 -0.009 0.000 0.814 465 A HN 0.252 nan 8.150 nan 0.000 0.446 466 E N -0.388 119.806 120.200 -0.011 0.000 2.072 466 E HA -0.101 4.249 4.350 -0.001 0.000 0.190 466 E C 1.907 178.498 176.600 -0.015 0.000 0.982 466 E CA 1.114 57.507 56.400 -0.012 0.000 0.803 466 E CB -0.262 29.432 29.700 -0.010 0.000 0.755 466 E HN 0.697 nan 8.360 nan 0.000 0.453 467 I N 1.070 121.631 120.570 -0.016 0.000 2.226 467 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 467 I C 2.390 178.493 176.117 -0.023 0.000 1.100 467 I CA 1.024 62.312 61.300 -0.020 0.000 1.374 467 I CB -0.223 37.765 38.000 -0.020 0.000 1.057 467 I HN 0.105 nan 8.210 nan 0.000 0.413 468 I N 0.381 120.937 120.570 -0.023 0.000 2.179 468 I HA -0.340 3.830 4.170 -0.001 0.000 0.242 468 I C 2.749 178.853 176.117 -0.022 0.000 1.088 468 I CA 1.489 62.774 61.300 -0.024 0.000 1.357 468 I CB -0.442 37.544 38.000 -0.023 0.000 1.051 468 I HN 0.360 nan 8.210 nan 0.000 0.409 469 Q N 0.799 120.588 119.800 -0.018 0.000 2.124 469 Q HA -0.257 4.083 4.340 -0.001 0.000 0.202 469 Q C 2.299 178.289 176.000 -0.018 0.000 0.977 469 Q CA 1.660 57.453 55.803 -0.016 0.000 0.850 469 Q CB -0.046 28.684 28.738 -0.014 0.000 0.901 469 Q HN 0.395 nan 8.270 nan 0.000 0.429 470 L N 0.035 121.246 121.223 -0.019 0.000 2.056 470 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 470 L C 2.224 179.079 176.870 -0.026 0.000 1.078 470 L CA 1.210 56.037 54.840 -0.021 0.000 0.749 470 L CB -0.580 41.466 42.059 -0.022 0.000 0.901 470 L HN 0.068 nan 8.230 nan 0.000 0.433 471 V N -0.000 119.896 119.914 -0.029 0.000 2.255 471 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 471 V C 1.411 177.486 176.094 -0.031 0.000 1.051 471 V CA 1.173 63.452 62.300 -0.036 0.000 1.018 471 V CB -0.799 31.001 31.823 -0.039 0.000 0.641 471 V HN 0.479 nan 8.190 nan 0.000 0.445 478 A N -0.399 122.339 122.820 -0.137 0.000 3.244 478 A HA -0.329 3.991 4.320 -0.001 0.000 0.233 478 A C 1.436 179.026 177.584 0.009 0.000 0.701 478 A CA 2.100 54.113 52.037 -0.040 0.000 1.381 478 A CB -2.440 16.570 19.000 0.016 0.000 1.208 478 A HN 0.629 nan 8.150 nan 0.000 0.685 479 Y N -0.507 119.787 120.300 -0.010 0.000 2.466 479 Y HA 0.652 5.201 4.550 -0.001 0.000 0.272 479 Y C 1.117 177.018 175.900 0.002 0.000 1.169 479 Y CA 0.795 58.892 58.100 -0.004 0.000 1.285 479 Y CB -0.041 38.418 38.460 -0.001 0.000 1.078 479 Y HN 0.301 nan 8.280 nan 0.000 0.523 480 K N 0.730 120.983 120.400 -0.245 0.000 2.514 480 K HA 0.306 4.625 4.320 -0.001 0.000 0.207 480 K C 0.876 177.425 176.600 -0.084 0.000 1.035 480 K CA -0.077 56.108 56.287 -0.171 0.000 1.113 480 K CB 0.271 32.582 32.500 -0.315 0.000 0.846 480 K HN 0.375 nan 8.250 nan 0.000 0.491 481 L N 0.685 121.878 121.223 -0.050 0.000 2.201 481 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 481 L C 2.316 179.181 176.870 -0.008 0.000 1.105 481 L CA 1.146 55.966 54.840 -0.033 0.000 0.775 481 L CB -0.117 41.924 42.059 -0.030 0.000 0.913 481 L HN 0.219 nan 8.230 nan 0.000 0.440 482 E N -0.213 120.002 120.200 0.026 0.000 2.152 482 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 482 E C 1.910 178.519 176.600 0.016 0.000 0.983 482 E CA 1.245 57.674 56.400 0.048 0.000 0.818 482 E CB -0.135 29.654 29.700 0.147 0.000 0.758 482 E HN 0.088 nan 8.360 nan 0.000 0.467 483 T N -0.605 113.957 114.554 0.013 0.000 3.284 483 T HA 0.128 4.477 4.350 -0.001 0.000 0.252 483 T C 1.103 175.793 174.700 -0.017 0.000 1.144 483 T CA 0.592 62.692 62.100 0.001 0.000 1.021 483 T CB -0.241 68.631 68.868 0.007 0.000 0.984 483 T HN 0.252 nan 8.240 nan 0.000 0.545 484 L N -0.962 120.247 121.223 -0.023 0.000 2.746 484 L HA 0.513 4.853 4.340 -0.001 0.000 0.230 484 L C -0.113 176.740 176.870 -0.027 0.000 1.034 484 L CA -0.153 54.670 54.840 -0.029 0.000 0.922 484 L CB 0.538 42.574 42.059 -0.037 0.000 1.496 484 L HN 0.062 nan 8.230 nan 0.000 0.498 485 I N 0.722 121.276 120.570 -0.026 0.000 2.886 485 I HA 0.024 4.194 4.170 -0.001 0.000 0.299 485 I C 1.333 177.429 176.117 -0.035 0.000 1.044 485 I CA 0.469 61.754 61.300 -0.025 0.000 1.310 485 I CB 1.219 39.208 38.000 -0.019 0.000 1.441 485 I HN 0.141 nan 8.210 nan 0.000 0.578 486 E N 1.681 121.864 120.200 -0.029 0.000 2.007 486 E HA -0.163 4.186 4.350 -0.001 0.000 0.203 486 E C 0.590 177.153 176.600 -0.061 0.000 1.020 486 E CA 2.154 58.533 56.400 -0.035 0.000 0.845 486 E CB -0.066 29.624 29.700 -0.017 0.000 0.779 486 E HN 0.811 nan 8.360 nan 0.000 0.466 487 T N -3.411 111.116 114.554 -0.045 0.000 2.919 487 T HA 0.321 4.671 4.350 -0.001 0.000 0.282 487 T C 0.752 175.426 174.700 -0.044 0.000 1.020 487 T CA -0.106 61.954 62.100 -0.067 0.000 0.994 487 T CB 0.671 69.543 68.868 0.008 0.000 1.180 487 T HN 0.250 nan 8.240 nan 0.000 0.566 488 H N -0.608 118.499 119.070 0.062 0.000 2.333 488 H HA 0.083 4.638 4.556 -0.001 0.000 0.302 488 H C 2.275 177.600 175.328 -0.004 0.000 1.075 488 H CA 1.492 57.571 56.048 0.052 0.000 1.348 488 H CB 0.217 30.067 29.762 0.147 0.000 1.393 488 H HN 0.798 nan 8.280 nan 0.000 0.509 489 E N 0.915 121.251 120.200 0.226 0.000 2.160 489 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 489 E C 2.278 178.965 176.600 0.144 0.000 0.991 489 E CA 0.678 57.196 56.400 0.197 0.000 0.810 489 E CB 0.116 29.985 29.700 0.281 0.000 0.742 489 E HN 0.303 nan 8.360 nan 0.000 0.466 490 R N -0.514 120.046 120.500 0.099 0.000 2.090 490 R HA -0.067 4.273 4.340 -0.001 0.000 0.228 490 R C 2.344 178.651 176.300 0.012 0.000 1.110 490 R CA 1.224 57.361 56.100 0.062 0.000 0.973 490 R CB -0.356 29.969 30.300 0.041 0.000 0.869 490 R HN 0.202 nan 8.270 nan 0.000 0.440 491 G N 0.078 108.880 108.800 0.003 0.000 2.440 491 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 491 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 491 G C 1.361 176.220 174.900 -0.068 0.000 1.154 491 G CA 0.883 45.971 45.100 -0.021 0.000 0.767 491 G HN 0.212 nan 8.290 nan 0.000 0.552 492 V N 0.677 120.522 119.914 -0.116 0.000 2.358 492 V HA -0.168 3.952 4.120 -0.001 0.000 0.246 492 V C 3.031 178.976 176.094 -0.249 0.000 1.047 492 V CA 2.201 64.379 62.300 -0.204 0.000 1.035 492 V CB -0.297 31.325 31.823 -0.335 0.000 0.658 492 V HN 0.493 nan 8.190 nan 0.000 0.452 493 S N -0.338 115.244 115.700 -0.196 0.000 2.368 493 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 493 S C 1.971 176.468 174.600 -0.171 0.000 1.030 493 S CA 1.429 59.474 58.200 -0.258 0.000 0.999 493 S CB -0.241 62.960 63.200 0.002 0.000 0.844 493 S HN 0.406 nan 8.310 nan 0.000 0.459 494 I N 1.601 122.112 120.570 -0.098 0.000 2.315 494 I HA -0.076 4.094 4.170 -0.001 0.000 0.248 494 I C 2.646 178.711 176.117 -0.086 0.000 1.117 494 I CA 1.208 62.464 61.300 -0.074 0.000 1.404 494 I CB -1.182 36.789 38.000 -0.047 0.000 1.071 494 I HN 0.413 nan 8.210 nan 0.000 0.419 495 R N 1.133 121.574 120.500 -0.099 0.000 2.081 495 R HA -0.157 4.182 4.340 -0.001 0.000 0.235 495 R C 2.442 178.680 176.300 -0.103 0.000 1.131 495 R CA 1.381 57.429 56.100 -0.086 0.000 0.960 495 R CB -0.054 30.198 30.300 -0.079 0.000 0.856 495 R HN 0.253 nan 8.270 nan 0.000 0.436 496 R N -0.030 120.372 120.500 -0.163 0.000 2.096 496 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 496 R C 2.472 178.697 176.300 -0.125 0.000 1.127 496 R CA 1.876 57.872 56.100 -0.174 0.000 0.968 496 R CB -0.168 29.953 30.300 -0.298 0.000 0.861 496 R HN 0.421 nan 8.270 nan 0.000 0.440 497 Q N 0.016 119.748 119.800 -0.114 0.000 2.079 497 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 497 Q C 1.922 177.888 176.000 -0.057 0.000 0.974 497 Q CA 0.908 56.665 55.803 -0.076 0.000 0.840 497 Q CB -0.010 28.689 28.738 -0.064 0.000 0.898 497 Q HN 0.143 nan 8.270 nan 0.000 0.430 498 L N 0.360 121.550 121.223 -0.054 0.000 2.046 498 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 498 L C 2.172 179.021 176.870 -0.035 0.000 1.077 498 L CA 1.381 56.198 54.840 -0.039 0.000 0.747 498 L CB -1.100 40.937 42.059 -0.036 0.000 0.896 498 L HN 0.275 nan 8.230 nan 0.000 0.432 499 L N -1.014 120.183 121.223 -0.042 0.000 2.046 499 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 499 L C 2.522 179.372 176.870 -0.034 0.000 1.077 499 L CA 1.566 56.385 54.840 -0.035 0.000 0.747 499 L CB -0.795 41.238 42.059 -0.043 0.000 0.896 499 L HN 0.173 nan 8.230 nan 0.000 0.432 500 S N -0.180 115.494 115.700 -0.043 0.000 2.374 500 S HA -0.250 4.220 4.470 -0.001 0.000 0.227 500 S C 1.857 176.442 174.600 -0.027 0.000 1.037 500 S CA 1.708 59.885 58.200 -0.037 0.000 1.024 500 S CB -0.338 62.835 63.200 -0.045 0.000 0.861 500 S HN 0.500 nan 8.310 nan 0.000 0.456 501 K N 1.070 121.455 120.400 -0.025 0.000 2.103 501 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 501 K C 1.663 178.254 176.600 -0.015 0.000 1.048 501 K CA 1.115 57.390 56.287 -0.019 0.000 0.930 501 K CB -0.114 32.375 32.500 -0.018 0.000 0.716 501 K HN 0.288 nan 8.250 nan 0.000 0.444 502 K N 0.647 121.038 120.400 -0.015 0.000 2.487 502 K HA 0.106 4.426 4.320 -0.001 0.000 0.192 502 K C 0.021 176.616 176.600 -0.009 0.000 1.027 502 K CA 0.156 56.437 56.287 -0.010 0.000 1.054 502 K CB 0.099 32.594 32.500 -0.009 0.000 0.824 502 K HN 0.078 nan 8.250 nan 0.000 0.510 503 L N 0.695 121.911 121.223 -0.011 0.000 2.322 503 L HA 0.151 4.490 4.340 -0.001 0.000 0.279 503 L C 1.620 178.486 176.870 -0.006 0.000 1.036 503 L CA -0.477 54.357 54.840 -0.009 0.000 0.807 503 L CB 1.696 43.748 42.059 -0.011 0.000 1.226 503 L HN 0.048 nan 8.230 nan 0.000 0.433 504 S N 0.419 116.116 115.700 -0.004 0.000 2.419 504 S HA -0.156 4.314 4.470 -0.001 0.000 0.233 504 S C 0.665 175.264 174.600 -0.001 0.000 1.016 504 S CA 0.795 58.994 58.200 -0.002 0.000 0.974 504 S CB -0.142 63.058 63.200 -0.001 0.000 0.786 504 S HN 0.672 nan 8.310 nan 0.000 0.492 505 E N 1.620 121.819 120.200 -0.001 0.000 2.346 505 E HA 0.455 4.805 4.350 -0.001 0.000 0.239 505 E C -2.346 174.251 176.600 -0.004 0.000 0.943 505 E CA -2.712 53.688 56.400 0.000 0.000 0.751 505 E CB 1.457 31.161 29.700 0.006 0.000 1.241 505 E HN 0.022 nan 8.360 nan 0.000 0.423 506 P HA -0.168 nan 4.420 nan 0.000 0.217 506 P C 0.574 177.861 177.300 -0.021 0.000 1.148 506 P CA 1.327 64.418 63.100 -0.015 0.000 0.828 506 P CB 0.255 31.946 31.700 -0.015 0.000 0.783 507 S N -2.590 113.100 115.700 -0.017 0.000 2.679 507 S HA 0.164 4.634 4.470 -0.001 0.000 0.233 507 S C 1.541 176.131 174.600 -0.016 0.000 0.951 507 S CA -0.164 58.020 58.200 -0.026 0.000 0.973 507 S CB -0.914 62.270 63.200 -0.027 0.000 0.778 507 S HN -0.056 nan 8.310 nan 0.000 0.477 508 S N 2.113 117.810 115.700 -0.005 0.000 2.374 508 S HA -0.038 4.431 4.470 -0.001 0.000 0.227 508 S C 1.398 176.004 174.600 0.010 0.000 1.037 508 S CA 1.166 59.373 58.200 0.012 0.000 1.024 508 S CB -0.401 62.801 63.200 0.004 0.000 0.861 508 S HN 0.449 nan 8.310 nan 0.000 0.456 509 L N 1.814 123.024 121.223 -0.022 0.000 2.551 509 L HA 0.075 4.415 4.340 -0.001 0.000 0.228 509 L C 2.266 179.103 176.870 -0.055 0.000 1.153 509 L CA 0.946 55.765 54.840 -0.035 0.000 0.851 509 L CB -1.351 40.670 42.059 -0.064 0.000 0.959 509 L HN 0.274 nan 8.230 nan 0.000 0.451 510 Q N 0.012 119.746 119.800 -0.109 0.000 2.133 510 Q HA -0.257 4.083 4.340 -0.001 0.000 0.208 510 Q C 1.535 177.323 176.000 -0.353 0.000 0.991 510 Q CA 2.121 57.765 55.803 -0.265 0.000 0.867 510 Q CB -0.393 28.097 28.738 -0.413 0.000 0.911 510 Q HN 0.593 nan 8.270 nan 0.000 0.417 511 Y N -0.571 119.730 120.300 0.002 0.000 2.468 511 Y HA 0.238 4.787 4.550 -0.001 0.000 0.268 511 Y C 0.277 176.159 175.900 -0.029 0.000 1.177 511 Y CA -0.658 57.438 58.100 -0.007 0.000 1.265 511 Y CB 0.662 39.117 38.460 -0.008 0.000 1.103 511 Y HN 0.109 nan 8.280 nan 0.000 0.522 512 L N 5.187 126.447 121.223 0.062 0.000 2.283 512 L HA 0.315 4.655 4.340 -0.001 0.000 0.287 512 L C -2.433 174.412 176.870 -0.042 0.000 1.073 512 L CA -1.673 53.161 54.840 -0.010 0.000 0.822 512 L CB 0.841 42.888 42.059 -0.021 0.000 1.186 512 L HN -0.043 nan 8.230 nan 0.000 0.436 513 P HA 0.095 nan 4.420 nan 0.000 0.272 513 P C -0.942 176.165 177.300 -0.323 0.000 1.230 513 P CA 0.256 63.179 63.100 -0.295 0.000 0.788 513 P CB 0.857 32.246 31.700 -0.517 0.000 0.949 514 Y N -1.365 118.839 120.300 -0.160 0.000 2.551 514 Y HA 0.369 4.919 4.550 -0.000 0.000 0.297 514 Y C 0.593 176.774 175.900 0.469 0.000 0.968 514 Y CA -0.607 57.611 58.100 0.196 0.000 1.039 514 Y CB -0.058 38.480 38.460 0.131 0.000 1.418 514 Y HN 0.007 nan 8.280 nan 0.000 0.589 515 R N 2.691 123.004 120.500 -0.311 0.000 2.582 515 R HA 0.132 4.472 4.340 -0.001 0.000 0.271 515 R C -0.364 176.007 176.300 0.118 0.000 1.078 515 R CA 0.689 56.663 56.100 -0.209 0.000 1.127 515 R CB 0.093 30.150 30.300 -0.406 0.000 1.038 515 R HN 0.362 nan 8.270 nan 0.000 0.500 516 D N -0.397 120.063 120.400 0.100 0.000 3.012 516 D HA -0.262 4.378 4.640 -0.001 0.000 0.222 516 D C -0.769 175.558 176.300 0.046 0.000 1.167 516 D CA 1.267 55.310 54.000 0.072 0.000 0.854 516 D CB -1.465 39.359 40.800 0.041 0.000 1.107 516 D HN 0.425 nan 8.370 nan 0.000 0.421 517 Y N 1.305 121.565 120.300 -0.065 0.000 2.387 517 Y HA 0.314 4.864 4.550 0.000 0.000 0.330 517 Y C 0.596 176.265 175.900 -0.384 0.000 1.133 517 Y CA -1.002 56.881 58.100 -0.363 0.000 1.152 517 Y CB 0.864 38.943 38.460 -0.635 0.000 1.215 517 Y HN -0.114 nan 8.280 nan 0.000 0.466 518 N N 4.955 122.930 118.700 -1.208 0.000 2.605 518 N HA -0.008 4.731 4.740 -0.001 0.000 0.258 518 N C -0.290 174.831 175.510 -0.648 0.000 1.156 518 N CA 0.028 52.648 53.050 -0.716 0.000 1.008 518 N CB 0.080 38.229 38.487 -0.564 0.000 1.354 518 N HN 0.770 nan 8.380 nan 0.000 0.509 519 Y N 0.847 121.073 120.300 -0.122 0.000 2.561 519 Y HA -0.144 4.405 4.550 -0.001 0.000 0.291 519 Y C 2.655 178.355 175.900 -0.333 0.000 1.141 519 Y CA 0.431 58.482 58.100 -0.083 0.000 1.303 519 Y CB 0.135 38.584 38.460 -0.018 0.000 1.015 519 Y HN 0.579 nan 8.280 nan 0.000 0.547 520 S N -0.123 115.506 115.700 -0.119 0.000 2.383 520 S HA -0.186 4.284 4.470 -0.001 0.000 0.229 520 S C 1.680 176.248 174.600 -0.053 0.000 1.030 520 S CA 1.274 59.433 58.200 -0.068 0.000 1.002 520 S CB -0.608 62.669 63.200 0.128 0.000 0.829 520 S HN 0.317 nan 8.310 nan 0.000 0.467 521 L N 0.996 122.180 121.223 -0.065 0.000 2.418 521 L HA 0.249 4.589 4.340 -0.001 0.000 0.218 521 L C 2.403 179.268 176.870 -0.008 0.000 1.125 521 L CA 0.573 55.390 54.840 -0.038 0.000 0.835 521 L CB -0.553 41.467 42.059 -0.064 0.000 0.953 521 L HN 0.239 nan 8.230 nan 0.000 0.454 522 V N -1.852 118.068 119.914 0.010 0.000 2.426 522 V HA -0.001 4.119 4.120 -0.001 0.000 0.242 522 V C 1.326 177.450 176.094 0.051 0.000 1.036 522 V CA 0.284 62.627 62.300 0.072 0.000 1.044 522 V CB -0.293 31.648 31.823 0.197 0.000 0.688 522 V HN 0.186 nan 8.190 nan 0.000 0.462 523 M N 0.966 120.567 119.600 0.002 0.000 2.290 523 M HA 0.160 4.640 4.480 -0.001 0.000 0.356 523 M C 1.358 177.680 176.300 0.038 0.000 1.448 523 M CA 1.058 56.362 55.300 0.007 0.000 0.993 523 M CB -1.421 31.141 32.600 -0.063 0.000 1.934 523 M HN 0.516 nan 8.290 nan 0.000 0.461 524 G N 2.922 111.754 108.800 0.052 0.000 2.323 524 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.292 524 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.292 524 G C 0.540 175.462 174.900 0.037 0.000 1.040 524 G CA 0.825 45.955 45.100 0.050 0.000 0.942 524 G HN 1.183 nan 8.290 nan 0.000 0.506 525 A N -3.042 119.797 122.820 0.033 0.000 1.626 525 A HA 0.405 4.725 4.320 -0.001 0.000 0.201 525 A C 1.565 179.164 177.584 0.024 0.000 1.920 525 A CA 1.521 53.573 52.037 0.025 0.000 1.499 525 A CB -0.165 18.848 19.000 0.022 0.000 1.498 525 A HN 0.963 nan 8.150 nan 0.000 0.333 526 C N -0.904 118.416 119.300 0.034 0.000 3.449 526 C HA 0.616 5.076 4.460 -0.001 0.000 0.404 526 C C 0.506 175.520 174.990 0.041 0.000 1.383 526 C CA 0.068 59.108 59.018 0.035 0.000 1.936 526 C CB -0.411 27.355 27.740 0.042 0.000 2.738 526 C HN 0.728 nan 8.230 nan 0.000 0.663 527 C N 0.987 120.317 119.300 0.049 0.000 3.284 527 C HA 0.627 5.086 4.460 -0.001 0.000 0.338 527 C C -1.954 173.065 174.990 0.048 0.000 1.237 527 C CA -0.205 58.843 59.018 0.049 0.000 1.276 527 C CB 1.123 28.904 27.740 0.069 0.000 1.601 527 C HN 0.519 nan 8.230 nan 0.000 0.494 528 E N 1.588 121.808 120.200 0.033 0.000 2.359 528 E HA 0.522 4.872 4.350 -0.001 0.000 0.266 528 E C -0.187 176.433 176.600 0.032 0.000 0.920 528 E CA -0.477 55.941 56.400 0.031 0.000 0.788 528 E CB 0.813 30.510 29.700 -0.004 0.000 1.279 528 E HN 0.643 nan 8.360 nan 0.000 0.438 529 N N 0.057 118.787 118.700 0.051 0.000 2.727 529 N HA -0.153 4.586 4.740 -0.001 0.000 0.249 529 N C -0.918 174.608 175.510 0.028 0.000 1.048 529 N CA 0.352 53.433 53.050 0.052 0.000 0.714 529 N CB -0.754 37.755 38.487 0.037 0.000 0.959 529 N HN 0.196 nan 8.380 nan 0.000 0.544 530 V N 1.821 121.752 119.914 0.028 0.000 2.540 530 V HA -0.015 4.105 4.120 -0.001 0.000 0.297 530 V C 1.870 177.946 176.094 -0.030 0.000 1.024 530 V CA 0.556 62.870 62.300 0.025 0.000 1.105 530 V CB 0.754 32.613 31.823 0.059 0.000 0.938 530 V HN 0.337 nan 8.190 nan 0.000 0.482 531 I N 1.380 121.942 120.570 -0.014 0.000 4.154 531 I HA 0.741 4.910 4.170 -0.001 0.000 0.334 531 I C 0.699 176.798 176.117 -0.030 0.000 1.371 531 I CA 0.342 61.602 61.300 -0.066 0.000 1.110 531 I CB 0.536 38.495 38.000 -0.068 0.000 1.085 531 I HN 0.732 nan 8.210 nan 0.000 0.398 532 G N 1.607 110.465 108.800 0.095 0.000 2.356 532 G HA2 0.213 4.172 3.960 -0.001 0.000 0.266 532 G HA3 0.213 4.172 3.960 -0.001 0.000 0.266 532 G C -1.937 173.076 174.900 0.188 0.000 1.312 532 G CA -0.228 44.989 45.100 0.195 0.000 0.922 532 G HN 0.405 nan 8.290 nan 0.000 0.480 533 Y N -2.279 118.025 120.300 0.007 0.000 2.562 533 Y HA 0.867 5.416 4.550 -0.000 0.000 0.345 533 Y C -0.545 175.312 175.900 -0.072 0.000 1.045 533 Y CA -1.895 56.119 58.100 -0.144 0.000 1.028 533 Y CB 2.073 40.251 38.460 -0.469 0.000 1.297 533 Y HN 0.714 nan 8.280 nan 0.000 0.463 534 M N 4.462 124.118 119.600 0.095 0.000 2.066 534 M HA 0.576 5.056 4.480 -0.001 0.000 0.340 534 M C -2.960 173.417 176.300 0.129 0.000 1.053 534 M CA -2.882 52.452 55.300 0.055 0.000 0.983 534 M CB 0.760 33.379 32.600 0.032 0.000 1.520 534 M HN 0.489 nan 8.290 nan 0.000 0.428 535 P HA 0.301 nan 4.420 nan 0.000 0.276 535 P C -1.193 176.154 177.300 0.078 0.000 1.243 535 P CA -0.142 63.048 63.100 0.150 0.000 0.768 535 P CB 0.311 32.104 31.700 0.155 0.000 0.856 536 I N 5.096 125.703 120.570 0.063 0.000 2.362 536 I HA 0.292 4.461 4.170 -0.001 0.000 0.289 536 I C -2.123 174.016 176.117 0.038 0.000 0.994 536 I CA -2.976 58.349 61.300 0.043 0.000 1.158 536 I CB 0.968 38.990 38.000 0.037 0.000 1.315 536 I HN 0.153 nan 8.210 nan 0.000 0.451 537 P HA 0.107 nan 4.420 nan 0.000 0.264 537 P C -0.529 176.785 177.300 0.024 0.000 1.183 537 P CA -0.000 63.116 63.100 0.027 0.000 0.763 537 P CB 0.675 32.387 31.700 0.021 0.000 0.807 538 V N 3.160 123.088 119.914 0.023 0.000 2.448 538 V HA 0.679 4.799 4.120 -0.001 0.000 0.295 538 V C 0.698 176.803 176.094 0.019 0.000 1.025 538 V CA -0.207 62.105 62.300 0.021 0.000 0.859 538 V CB 1.635 33.470 31.823 0.021 0.000 0.988 538 V HN 0.783 nan 8.190 nan 0.000 0.431 539 G N 2.492 111.303 108.800 0.018 0.000 2.568 539 G HA2 0.695 4.654 3.960 -0.001 0.000 0.313 539 G HA3 0.695 4.654 3.960 -0.001 0.000 0.313 539 G C -1.442 173.469 174.900 0.019 0.000 1.227 539 G CA -0.708 44.402 45.100 0.018 0.000 0.979 539 G HN 0.687 nan 8.290 nan 0.000 0.486 540 V N -0.437 119.489 119.914 0.020 0.000 2.656 540 V HA 0.836 4.956 4.120 -0.001 0.000 0.307 540 V C -0.396 175.712 176.094 0.024 0.000 1.051 540 V CA -0.448 61.866 62.300 0.024 0.000 0.893 540 V CB 1.496 33.334 31.823 0.025 0.000 0.999 540 V HN 1.395 nan 8.190 nan 0.000 0.426 541 A N 4.391 127.228 122.820 0.029 0.000 2.343 541 A HA 1.052 5.372 4.320 -0.001 0.000 0.316 541 A C 0.116 177.724 177.584 0.040 0.000 1.104 541 A CA 0.176 52.231 52.037 0.030 0.000 0.768 541 A CB 1.392 20.407 19.000 0.025 0.000 1.213 541 A HN 2.260 nan 8.150 nan 0.000 0.456 542 G N 1.479 110.303 108.800 0.038 0.000 2.341 542 G HA2 0.476 4.435 3.960 -0.001 0.000 0.293 542 G HA3 0.476 4.435 3.960 -0.001 0.000 0.293 542 G C -3.432 171.487 174.900 0.033 0.000 1.298 542 G CA -0.447 44.681 45.100 0.047 0.000 0.868 542 G HN 0.698 nan 8.290 nan 0.000 0.540 543 P HA 0.440 nan 4.420 nan 0.000 0.275 543 P C -0.707 176.629 177.300 0.059 0.000 1.227 543 P CA -0.317 62.807 63.100 0.041 0.000 0.781 543 P CB 1.739 33.445 31.700 0.011 0.000 0.906 544 L N 4.757 126.044 121.223 0.108 0.000 2.259 544 L HA 0.270 4.610 4.340 -0.001 0.000 0.288 544 L C -0.591 176.370 176.870 0.152 0.000 1.051 544 L CA -0.540 54.376 54.840 0.127 0.000 0.824 544 L CB -0.258 41.895 42.059 0.157 0.000 1.206 544 L HN 0.341 nan 8.230 nan 0.000 0.429 545 C N 6.380 125.733 119.300 0.089 0.000 2.383 545 C HA 0.487 4.947 4.460 -0.001 0.000 0.350 545 C C 0.051 175.102 174.990 0.102 0.000 1.173 545 C CA -0.599 58.460 59.018 0.068 0.000 1.645 545 C CB -1.175 26.585 27.740 0.032 0.000 2.221 545 C HN 0.687 nan 8.230 nan 0.000 0.528 546 L N 4.363 125.688 121.223 0.170 0.000 2.406 546 L HA 0.452 4.791 4.340 -0.001 0.000 0.272 546 L C -0.090 176.890 176.870 0.184 0.000 0.980 546 L CA 0.514 55.468 54.840 0.191 0.000 0.831 546 L CB 0.877 43.094 42.059 0.263 0.000 1.253 546 L HN 0.667 nan 8.230 nan 0.000 0.406 547 D N 4.282 124.748 120.400 0.110 0.000 2.686 547 D HA -0.247 4.392 4.640 -0.001 0.000 0.235 547 D C 0.293 176.631 176.300 0.063 0.000 1.160 547 D CA 1.291 55.343 54.000 0.086 0.000 0.645 547 D CB -0.400 40.462 40.800 0.103 0.000 1.039 547 D HN 0.967 nan 8.370 nan 0.000 0.423 548 E N -2.414 117.808 120.200 0.038 0.000 3.286 548 E HA -0.272 4.077 4.350 -0.001 0.000 0.292 548 E C 0.092 176.670 176.600 -0.037 0.000 0.928 548 E CA 1.265 57.667 56.400 0.004 0.000 0.982 548 E CB -0.609 29.094 29.700 0.005 0.000 1.500 548 E HN 0.519 nan 8.360 nan 0.000 0.441 549 K N 0.325 120.689 120.400 -0.060 0.000 2.350 549 K HA 0.510 4.829 4.320 -0.001 0.000 0.241 549 K C -0.422 175.986 176.600 -0.321 0.000 0.994 549 K CA -0.742 55.398 56.287 -0.244 0.000 0.839 549 K CB 1.595 33.873 32.500 -0.370 0.000 1.244 549 K HN -0.038 nan 8.250 nan 0.000 0.443 550 E N 1.500 121.409 120.200 -0.485 0.000 2.199 550 E HA 0.333 4.683 4.350 -0.001 0.000 0.265 550 E C -1.234 175.066 176.600 -0.500 0.000 0.882 550 E CA -0.498 55.709 56.400 -0.321 0.000 0.759 550 E CB 1.339 30.940 29.700 -0.165 0.000 1.148 550 E HN 0.269 nan 8.360 nan 0.000 0.412 551 F N 1.153 121.104 119.950 0.002 0.000 2.508 551 F HA 0.270 4.797 4.527 -0.000 0.000 0.325 551 F C 0.428 176.229 175.800 0.002 0.000 1.090 551 F CA -1.022 56.979 58.000 0.002 0.000 0.945 551 F CB 1.706 40.708 39.000 0.003 0.000 1.156 551 F HN 0.100 nan 8.300 nan 0.000 0.463 552 Q N 2.846 122.760 119.800 0.191 0.000 2.400 552 Q HA 0.369 4.709 4.340 -0.001 0.000 0.255 552 Q C -0.886 175.179 176.000 0.108 0.000 1.008 552 Q CA -0.502 55.365 55.803 0.108 0.000 0.841 552 Q CB 1.926 30.703 28.738 0.066 0.000 1.220 552 Q HN 0.396 nan 8.270 nan 0.000 0.474 553 V N 5.688 125.653 119.914 0.086 0.000 2.385 553 V HA 0.281 4.401 4.120 -0.001 0.000 0.269 553 V C -1.897 174.219 176.094 0.037 0.000 1.043 553 V CA -1.537 60.795 62.300 0.054 0.000 0.906 553 V CB 1.004 32.847 31.823 0.034 0.000 0.995 553 V HN 0.523 nan 8.190 nan 0.000 0.467 554 P HA 0.397 nan 4.420 nan 0.000 0.280 554 P C -0.997 176.317 177.300 0.023 0.000 1.244 554 P CA -0.395 62.721 63.100 0.026 0.000 0.784 554 P CB 1.088 32.803 31.700 0.024 0.000 0.913 555 M N 2.408 122.020 119.600 0.021 0.000 2.165 555 M HA 0.465 4.945 4.480 -0.001 0.000 0.283 555 M C -0.469 175.843 176.300 0.020 0.000 0.978 555 M CA -0.659 54.652 55.300 0.018 0.000 0.948 555 M CB 2.561 35.167 32.600 0.010 0.000 1.599 555 M HN 0.285 nan 8.290 nan 0.000 0.450 556 A N 2.562 125.396 122.820 0.024 0.000 2.260 556 A HA 0.766 5.085 4.320 -0.001 0.000 0.312 556 A C -0.212 177.385 177.584 0.021 0.000 1.321 556 A CA -0.263 51.788 52.037 0.025 0.000 0.928 556 A CB 0.611 19.629 19.000 0.031 0.000 1.158 556 A HN 0.755 nan 8.150 nan 0.000 0.542 557 T N 0.172 114.737 114.554 0.018 0.000 2.802 557 T HA 0.530 4.880 4.350 -0.001 0.000 0.311 557 T C 0.498 175.206 174.700 0.014 0.000 1.405 557 T CA 0.365 62.474 62.100 0.014 0.000 1.016 557 T CB 1.356 70.230 68.868 0.010 0.000 1.352 557 T HN 0.968 nan 8.240 nan 0.000 0.498 558 T N -0.729 113.832 114.554 0.012 0.000 3.132 558 T HA 0.372 4.721 4.350 -0.001 0.000 0.274 558 T C 0.273 174.979 174.700 0.009 0.000 1.011 558 T CA -0.285 61.821 62.100 0.010 0.000 0.899 558 T CB -0.033 68.840 68.868 0.009 0.000 1.089 558 T HN 0.579 nan 8.240 nan 0.000 0.543 559 E N 1.565 121.772 120.200 0.012 0.000 2.089 559 E HA 0.510 4.859 4.350 -0.001 0.000 0.284 559 E C 0.591 177.201 176.600 0.016 0.000 1.023 559 E CA -0.743 55.666 56.400 0.014 0.000 0.819 559 E CB 0.390 30.102 29.700 0.020 0.000 1.076 559 E HN 0.466 nan 8.360 nan 0.000 0.396 560 G N 2.646 111.454 108.800 0.012 0.000 2.432 560 G HA2 0.081 4.041 3.960 -0.001 0.000 0.239 560 G HA3 0.081 4.041 3.960 -0.001 0.000 0.239 560 G C 0.585 175.495 174.900 0.017 0.000 1.291 560 G CA 0.043 45.150 45.100 0.011 0.000 0.863 560 G HN 0.963 nan 8.290 nan 0.000 0.560 561 C N 0.778 120.088 119.300 0.017 0.000 5.688 561 C HA -0.213 4.247 4.460 -0.001 0.000 0.291 561 C C 2.366 177.378 174.990 0.037 0.000 2.111 561 C CA 0.637 59.668 59.018 0.022 0.000 1.870 561 C CB -2.005 25.745 27.740 0.018 0.000 2.828 561 C HN 0.844 nan 8.230 nan 0.000 0.449 562 L N 1.753 123.003 121.223 0.044 0.000 1.989 562 L HA -0.088 4.252 4.340 -0.001 0.000 0.211 562 L C 2.333 179.231 176.870 0.045 0.000 1.071 562 L CA 2.759 57.636 54.840 0.061 0.000 0.749 562 L CB -0.620 41.469 42.059 0.050 0.000 0.890 562 L HN 0.364 nan 8.230 nan 0.000 0.431 563 V N 0.068 120.000 119.914 0.029 0.000 2.343 563 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 563 V C 2.800 178.909 176.094 0.026 0.000 1.051 563 V CA 1.605 63.919 62.300 0.023 0.000 1.036 563 V CB -1.462 30.372 31.823 0.018 0.000 0.654 563 V HN 0.623 nan 8.190 nan 0.000 0.451 564 A N -0.650 122.184 122.820 0.024 0.000 1.902 564 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 564 A C 2.565 180.167 177.584 0.029 0.000 1.181 564 A CA 2.338 54.388 52.037 0.021 0.000 0.623 564 A CB -0.831 18.178 19.000 0.015 0.000 0.818 564 A HN 0.471 nan 8.150 nan 0.000 0.443 565 S N -1.044 114.680 115.700 0.040 0.000 2.356 565 S HA -0.138 4.332 4.470 -0.001 0.000 0.223 565 S C 2.072 176.708 174.600 0.059 0.000 1.032 565 S CA 2.152 60.385 58.200 0.054 0.000 1.005 565 S CB -0.591 62.654 63.200 0.076 0.000 0.867 565 S HN 0.637 nan 8.310 nan 0.000 0.449 566 T N 2.185 116.772 114.554 0.056 0.000 2.788 566 T HA -0.084 4.265 4.350 -0.001 0.000 0.268 566 T C 1.800 176.520 174.700 0.032 0.000 1.044 566 T CA 1.257 63.381 62.100 0.040 0.000 1.139 566 T CB -0.600 68.278 68.868 0.018 0.000 0.867 566 T HN 0.531 nan 8.240 nan 0.000 0.454 567 N N 0.786 119.503 118.700 0.030 0.000 2.166 567 N HA -0.130 4.610 4.740 -0.001 0.000 0.186 567 N C 2.200 177.726 175.510 0.026 0.000 1.019 567 N CA 0.860 53.925 53.050 0.026 0.000 0.856 567 N CB -0.034 38.466 38.487 0.022 0.000 0.993 567 N HN 0.317 nan 8.380 nan 0.000 0.426 568 R N 0.168 120.684 120.500 0.028 0.000 2.092 568 R HA -0.063 4.277 4.340 -0.001 0.000 0.231 568 R C 2.209 178.526 176.300 0.029 0.000 1.119 568 R CA 1.473 57.589 56.100 0.027 0.000 0.970 568 R CB -0.427 29.890 30.300 0.029 0.000 0.864 568 R HN 0.200 nan 8.270 nan 0.000 0.440 569 G N 0.101 108.921 108.800 0.033 0.000 2.402 569 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 569 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 569 G C 1.519 176.434 174.900 0.025 0.000 1.162 569 G CA 0.857 45.975 45.100 0.031 0.000 0.777 569 G HN 0.408 nan 8.290 nan 0.000 0.539 570 C N -0.003 119.313 119.300 0.027 0.000 2.429 570 C HA 0.019 4.478 4.460 -0.001 0.000 0.277 570 C C 2.863 177.869 174.990 0.026 0.000 1.262 570 C CA 1.044 60.079 59.018 0.029 0.000 1.733 570 C CB -0.670 27.090 27.740 0.034 0.000 2.010 570 C HN 0.531 nan 8.230 nan 0.000 0.483 571 R N 1.832 122.346 120.500 0.023 0.000 2.091 571 R HA -0.083 4.257 4.340 -0.001 0.000 0.238 571 R C 2.101 178.411 176.300 0.018 0.000 1.136 571 R CA 2.246 58.357 56.100 0.019 0.000 0.959 571 R CB -0.802 29.509 30.300 0.018 0.000 0.856 571 R HN 0.435 nan 8.270 nan 0.000 0.437 572 A N 0.304 123.135 122.820 0.019 0.000 1.933 572 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 572 A C 2.320 179.912 177.584 0.014 0.000 1.175 572 A CA 1.642 53.689 52.037 0.016 0.000 0.628 572 A CB -0.564 18.445 19.000 0.017 0.000 0.814 572 A HN 0.394 nan 8.150 nan 0.000 0.444 573 I N -0.444 120.135 120.570 0.014 0.000 2.252 573 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 573 I C 2.705 178.832 176.117 0.017 0.000 1.102 573 I CA 1.050 62.358 61.300 0.012 0.000 1.385 573 I CB -0.593 37.415 38.000 0.014 0.000 1.064 573 I HN 0.396 nan 8.210 nan 0.000 0.414 574 G N 1.051 109.863 108.800 0.019 0.000 2.421 574 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.216 574 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.216 574 G C 1.672 176.581 174.900 0.014 0.000 1.171 574 G CA 0.475 45.586 45.100 0.017 0.000 0.775 574 G HN 0.281 nan 8.290 nan 0.000 0.543 575 L N 0.853 122.085 121.223 0.014 0.000 2.362 575 L HA 0.075 4.414 4.340 -0.001 0.000 0.219 575 L C 2.673 179.552 176.870 0.014 0.000 1.134 575 L CA 0.545 55.393 54.840 0.013 0.000 0.807 575 L CB -0.100 41.966 42.059 0.013 0.000 0.927 575 L HN 0.334 nan 8.230 nan 0.000 0.447 576 G N -1.476 107.333 108.800 0.015 0.000 3.141 576 G HA2 0.303 4.263 3.960 -0.001 0.000 0.218 576 G HA3 0.303 4.263 3.960 -0.001 0.000 0.218 576 G C 1.187 176.099 174.900 0.019 0.000 1.170 576 G CA 0.444 45.554 45.100 0.017 0.000 0.769 576 G HN 0.444 nan 8.290 nan 0.000 0.546 577 G N -1.481 107.329 108.800 0.017 0.000 2.175 577 G HA2 0.295 4.255 3.960 -0.001 0.000 0.244 577 G HA3 0.295 4.255 3.960 -0.001 0.000 0.244 577 G C 0.912 175.824 174.900 0.020 0.000 0.982 577 G CA 0.486 45.596 45.100 0.018 0.000 0.641 577 G HN 2.119 nan 8.290 nan 0.000 0.527 578 G N -1.243 107.570 108.800 0.021 0.000 2.712 578 G HA2 0.488 4.448 3.960 -0.001 0.000 0.683 578 G HA3 0.488 4.448 3.960 -0.001 0.000 0.683 578 G C 0.060 174.975 174.900 0.026 0.000 1.320 578 G CA 0.780 45.896 45.100 0.026 0.000 0.847 578 G HN 2.226 nan 8.290 nan 0.000 0.553 579 A N -0.250 122.589 122.820 0.033 0.000 2.311 579 A HA 0.976 5.296 4.320 -0.001 0.000 0.334 579 A C 0.352 177.959 177.584 0.037 0.000 1.139 579 A CA 0.477 52.529 52.037 0.025 0.000 0.830 579 A CB 1.668 20.678 19.000 0.018 0.000 1.234 579 A HN 1.931 nan 8.150 nan 0.000 0.483 580 S N 0.020 115.739 115.700 0.030 0.000 2.542 580 S HA 0.802 5.271 4.470 -0.001 0.000 0.293 580 S C -0.338 174.279 174.600 0.028 0.000 1.089 580 S CA -0.296 57.926 58.200 0.037 0.000 0.961 580 S CB 1.628 64.853 63.200 0.041 0.000 1.062 580 S HN 1.396 nan 8.310 nan 0.000 0.483 581 S N 2.031 117.748 115.700 0.029 0.000 2.618 581 S HA 0.836 5.305 4.470 -0.001 0.000 0.277 581 S C -1.591 173.019 174.600 0.017 0.000 1.138 581 S CA -1.112 57.098 58.200 0.017 0.000 0.844 581 S CB 1.619 64.823 63.200 0.007 0.000 1.127 581 S HN 0.527 nan 8.310 nan 0.000 0.474 582 R N 0.589 121.094 120.500 0.009 0.000 2.584 582 R HA 0.510 4.850 4.340 -0.001 0.000 0.276 582 R C -1.690 174.609 176.300 -0.002 0.000 1.046 582 R CA -0.665 55.439 56.100 0.006 0.000 0.906 582 R CB 1.878 32.182 30.300 0.007 0.000 1.215 582 R HN 0.620 nan 8.270 nan 0.000 0.449 583 V N 4.862 124.774 119.914 -0.002 0.000 2.406 583 V HA 0.203 4.323 4.120 -0.001 0.000 0.272 583 V C 1.488 177.576 176.094 -0.010 0.000 1.043 583 V CA -0.120 62.176 62.300 -0.007 0.000 0.915 583 V CB 1.178 32.998 31.823 -0.004 0.000 0.988 583 V HN 0.625 nan 8.190 nan 0.000 0.466 584 L N 4.081 125.293 121.223 -0.018 0.000 2.354 584 L HA 0.529 4.869 4.340 -0.001 0.000 0.212 584 L C 0.880 177.734 176.870 -0.027 0.000 1.091 584 L CA 0.836 55.660 54.840 -0.026 0.000 0.828 584 L CB -0.009 42.026 42.059 -0.041 0.000 0.973 584 L HN 0.749 nan 8.230 nan 0.000 0.461 585 A N -0.874 121.933 122.820 -0.023 0.000 2.608 585 A HA 0.601 4.921 4.320 -0.001 0.000 0.292 585 A C -1.954 175.625 177.584 -0.008 0.000 1.066 585 A CA -0.435 51.590 52.037 -0.020 0.000 0.676 585 A CB 1.620 20.599 19.000 -0.034 0.000 1.277 585 A HN -0.058 nan 8.150 nan 0.000 0.413 586 D N -0.370 120.031 120.400 0.002 0.000 2.613 586 D HA 0.558 5.197 4.640 -0.001 0.000 0.230 586 D C -0.561 175.756 176.300 0.027 0.000 1.365 586 D CA 0.903 54.911 54.000 0.014 0.000 0.976 586 D CB 1.479 42.289 40.800 0.017 0.000 1.415 586 D HN 1.527 nan 8.370 nan 0.000 0.589 587 G N 2.525 111.345 108.800 0.033 0.000 1.984 587 G HA2 0.378 4.338 3.960 -0.001 0.000 0.313 587 G HA3 0.378 4.338 3.960 -0.001 0.000 0.313 587 G C -0.869 174.067 174.900 0.061 0.000 1.632 587 G CA -0.898 44.233 45.100 0.053 0.000 0.963 587 G HN 0.365 nan 8.290 nan 0.000 0.595 588 M N 2.468 122.117 119.600 0.081 0.000 2.240 588 M HA 0.735 5.214 4.480 -0.001 0.000 0.333 588 M C 0.786 177.158 176.300 0.120 0.000 1.110 588 M CA -0.127 55.227 55.300 0.090 0.000 1.173 588 M CB 0.849 33.504 32.600 0.091 0.000 1.458 588 M HN 0.867 nan 8.290 nan 0.000 0.458 589 T N 1.461 116.087 114.554 0.120 0.000 2.887 589 T HA 0.884 5.234 4.350 -0.001 0.000 0.292 589 T C -1.086 173.721 174.700 0.178 0.000 1.087 589 T CA -1.026 61.168 62.100 0.156 0.000 1.009 589 T CB 1.676 70.614 68.868 0.116 0.000 1.203 589 T HN 0.767 nan 8.240 nan 0.000 0.518 590 R N -0.300 120.347 120.500 0.245 0.000 2.548 590 R HA 0.658 4.998 4.340 -0.001 0.000 0.280 590 R C -0.613 175.895 176.300 0.347 0.000 1.061 590 R CA -0.417 55.831 56.100 0.246 0.000 0.915 590 R CB 1.643 32.069 30.300 0.209 0.000 1.210 590 R HN 1.167 nan 8.270 nan 0.000 0.442 591 G N 5.447 114.437 108.800 0.318 0.000 4.106 591 G HA2 0.357 4.317 3.960 -0.001 0.000 0.344 591 G HA3 0.357 4.317 3.960 -0.001 0.000 0.344 591 G C -2.519 172.606 174.900 0.375 0.000 1.477 591 G CA -1.198 44.153 45.100 0.418 0.000 1.068 591 G HN 0.462 nan 8.290 nan 0.000 0.488 592 P HA 0.263 nan 4.420 nan 0.000 0.272 592 P C -0.352 177.011 177.300 0.106 0.000 1.240 592 P CA -0.299 62.925 63.100 0.207 0.000 0.791 592 P CB 2.397 34.218 31.700 0.201 0.000 0.978 593 V N 2.276 122.177 119.914 -0.022 0.000 2.540 593 V HA 0.513 4.632 4.120 -0.001 0.000 0.302 593 V C -0.289 175.683 176.094 -0.203 0.000 1.035 593 V CA -0.730 61.386 62.300 -0.307 0.000 0.873 593 V CB 1.581 33.145 31.823 -0.431 0.000 0.992 593 V HN 0.489 nan 8.190 nan 0.000 0.428 594 V N 4.789 124.557 119.914 -0.242 0.000 3.074 594 V HA 0.805 4.924 4.120 -0.001 0.000 0.314 594 V C -0.704 175.288 176.094 -0.171 0.000 1.117 594 V CA -1.022 61.197 62.300 -0.135 0.000 1.014 594 V CB 2.320 34.105 31.823 -0.064 0.000 1.057 594 V HN 0.936 nan 8.190 nan 0.000 0.438 595 R N 1.924 122.362 120.500 -0.103 0.000 2.673 595 R HA 0.707 5.046 4.340 -0.001 0.000 0.281 595 R C -1.684 174.579 176.300 -0.062 0.000 0.991 595 R CA -0.832 55.212 56.100 -0.093 0.000 0.896 595 R CB 2.145 32.405 30.300 -0.067 0.000 1.201 595 R HN 0.557 nan 8.270 nan 0.000 0.457 596 L N 2.164 123.346 121.223 -0.068 0.000 2.304 596 L HA 0.442 4.782 4.340 -0.001 0.000 0.268 596 L C -1.574 175.276 176.870 -0.033 0.000 1.010 596 L CA -2.474 52.334 54.840 -0.053 0.000 0.813 596 L CB 1.490 43.500 42.059 -0.082 0.000 1.315 596 L HN 0.320 nan 8.230 nan 0.000 0.445 597 P HA -0.048 nan 4.420 nan 0.000 0.216 597 P C -0.087 177.205 177.300 -0.014 0.000 1.150 597 P CA 1.355 64.448 63.100 -0.011 0.000 0.837 597 P CB 0.334 32.032 31.700 -0.003 0.000 0.786 598 R N -2.702 117.787 120.500 -0.019 0.000 2.808 598 R HA 0.542 4.881 4.340 -0.001 0.000 0.272 598 R C 0.781 177.065 176.300 -0.027 0.000 0.995 598 R CA -0.499 55.590 56.100 -0.017 0.000 0.917 598 R CB 0.720 31.014 30.300 -0.010 0.000 1.217 598 R HN -0.162 nan 8.270 nan 0.000 0.471 599 A N 0.352 123.159 122.820 -0.022 0.000 1.969 599 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 599 A C 1.797 179.364 177.584 -0.028 0.000 1.169 599 A CA 1.479 53.500 52.037 -0.027 0.000 0.635 599 A CB -0.610 18.380 19.000 -0.016 0.000 0.810 599 A HN 0.727 nan 8.150 nan 0.000 0.445 600 C N -0.252 119.037 119.300 -0.018 0.000 2.422 600 C HA -0.080 4.380 4.460 -0.001 0.000 0.279 600 C C 2.235 177.212 174.990 -0.021 0.000 1.305 600 C CA 0.991 60.001 59.018 -0.013 0.000 1.757 600 C CB -1.031 26.708 27.740 -0.002 0.000 1.962 600 C HN 0.592 nan 8.230 nan 0.000 0.499 601 D N 1.049 121.430 120.400 -0.032 0.000 2.123 601 D HA -0.075 4.564 4.640 -0.001 0.000 0.200 601 D C 2.347 178.574 176.300 -0.122 0.000 0.976 601 D CA 1.822 55.791 54.000 -0.052 0.000 0.831 601 D CB -0.564 40.213 40.800 -0.038 0.000 0.974 601 D HN 0.604 nan 8.370 nan 0.000 0.469 602 S N 0.919 116.552 115.700 -0.113 0.000 2.402 602 S HA -0.053 4.416 4.470 -0.001 0.000 0.229 602 S C 2.177 176.699 174.600 -0.130 0.000 1.021 602 S CA 1.079 59.191 58.200 -0.148 0.000 0.974 602 S CB -0.275 62.854 63.200 -0.119 0.000 0.800 602 S HN 0.222 nan 8.310 nan 0.000 0.484 603 A N 1.734 124.506 122.820 -0.080 0.000 1.933 603 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 603 A C 2.191 179.747 177.584 -0.047 0.000 1.175 603 A CA 1.559 53.565 52.037 -0.052 0.000 0.628 603 A CB -0.805 18.180 19.000 -0.027 0.000 0.814 603 A HN 0.682 nan 8.150 nan 0.000 0.444 604 E N -0.202 119.965 120.200 -0.054 0.000 2.072 604 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 604 E C 1.860 178.410 176.600 -0.084 0.000 0.985 604 E CA 1.384 57.777 56.400 -0.012 0.000 0.801 604 E CB -0.093 29.626 29.700 0.031 0.000 0.750 604 E HN 0.351 nan 8.360 nan 0.000 0.452 605 V N 1.471 121.180 119.914 -0.341 0.000 2.343 605 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 605 V C 2.484 178.500 176.094 -0.130 0.000 1.051 605 V CA 2.088 64.059 62.300 -0.547 0.000 1.036 605 V CB -0.557 30.834 31.823 -0.720 0.000 0.654 605 V HN 0.265 nan 8.190 nan 0.000 0.451 606 K N 0.471 120.815 120.400 -0.094 0.000 2.032 606 K HA -0.205 4.115 4.320 -0.001 0.000 0.209 606 K C 2.211 178.829 176.600 0.030 0.000 1.048 606 K CA 1.695 57.962 56.287 -0.032 0.000 0.927 606 K CB -0.364 32.105 32.500 -0.052 0.000 0.712 606 K HN 0.417 nan 8.250 nan 0.000 0.441 607 A N 0.499 123.348 122.820 0.048 0.000 1.877 607 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 607 A C 1.956 179.624 177.584 0.140 0.000 1.186 607 A CA 1.507 53.589 52.037 0.074 0.000 0.620 607 A CB -1.161 17.884 19.000 0.075 0.000 0.822 607 A HN 0.733 nan 8.150 nan 0.000 0.443 608 W N 0.637 121.949 121.300 0.021 0.000 2.338 608 W HA -0.164 4.496 4.660 -0.001 0.000 0.304 608 W C 1.679 178.224 176.519 0.043 0.000 1.212 608 W CA 1.934 59.325 57.345 0.075 0.000 1.264 608 W CB -0.227 29.373 29.460 0.232 0.000 1.142 608 W HN 0.252 nan 8.180 nan 0.000 0.512 609 L N 0.372 121.798 121.223 0.339 0.000 2.275 609 L HA -0.153 4.187 4.340 -0.001 0.000 0.215 609 L C 1.973 178.855 176.870 0.020 0.000 1.119 609 L CA 1.298 56.247 54.840 0.182 0.000 0.790 609 L CB -0.665 41.507 42.059 0.188 0.000 0.919 609 L HN 0.054 nan 8.230 nan 0.000 0.443 610 E N -0.585 119.611 120.200 -0.007 0.000 2.435 610 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 610 E C 0.791 177.335 176.600 -0.092 0.000 1.029 610 E CA 0.316 56.684 56.400 -0.053 0.000 0.865 610 E CB 0.164 29.843 29.700 -0.035 0.000 0.833 610 E HN 0.468 nan 8.360 nan 0.000 0.510 611 T N -1.246 113.227 114.554 -0.136 0.000 2.910 611 T HA 0.090 4.440 4.350 -0.001 0.000 0.293 611 T C 1.462 176.065 174.700 -0.162 0.000 1.015 611 T CA -0.164 61.837 62.100 -0.166 0.000 1.094 611 T CB 1.753 70.480 68.868 -0.234 0.000 0.968 611 T HN -0.005 nan 8.240 nan 0.000 0.521 612 S N 1.277 116.910 115.700 -0.112 0.000 2.382 612 S HA -0.196 4.273 4.470 -0.001 0.000 0.228 612 S C 1.746 176.304 174.600 -0.070 0.000 1.027 612 S CA 1.013 59.182 58.200 -0.052 0.000 0.991 612 S CB -0.584 62.592 63.200 -0.040 0.000 0.823 612 S HN 0.898 nan 8.310 nan 0.000 0.469 613 E N 1.842 121.942 120.200 -0.167 0.000 2.107 613 E HA 0.005 4.354 4.350 -0.001 0.000 0.191 613 E C 2.220 178.561 176.600 -0.432 0.000 0.982 613 E CA 1.131 57.400 56.400 -0.218 0.000 0.809 613 E CB -1.222 28.366 29.700 -0.186 0.000 0.756 613 E HN 0.576 nan 8.360 nan 0.000 0.459 614 G N 1.096 109.449 108.800 -0.744 0.000 2.421 614 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 614 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 614 G C 1.378 175.873 174.900 -0.673 0.000 1.171 614 G CA 0.774 44.993 45.100 -1.468 0.000 0.775 614 G HN 0.316 nan 8.290 nan 0.000 0.543 615 F N 2.554 122.253 119.950 -0.419 0.000 2.216 615 F HA 0.096 4.623 4.527 -0.001 0.000 0.300 615 F C 2.696 178.426 175.800 -0.117 0.000 1.085 615 F CA 1.037 58.921 58.000 -0.193 0.000 1.326 615 F CB -0.195 38.715 39.000 -0.150 0.000 1.027 615 F HN 0.231 nan 8.300 nan 0.000 0.497 616 A N 0.395 123.108 122.820 -0.179 0.000 1.858 616 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 616 A C 2.376 179.859 177.584 -0.170 0.000 1.190 616 A CA 2.593 54.523 52.037 -0.180 0.000 0.617 616 A CB -1.685 17.271 19.000 -0.072 0.000 0.827 616 A HN 0.503 nan 8.150 nan 0.000 0.443 617 V N -1.675 118.167 119.914 -0.120 0.000 2.407 617 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 617 V C 2.141 178.262 176.094 0.045 0.000 1.055 617 V CA 1.839 64.145 62.300 0.011 0.000 1.049 617 V CB -0.900 30.989 31.823 0.110 0.000 0.662 617 V HN 0.402 nan 8.190 nan 0.000 0.455 618 I N 0.867 121.438 120.570 0.002 0.000 2.179 618 I HA -0.195 3.974 4.170 -0.001 0.000 0.242 618 I C 2.635 178.755 176.117 0.004 0.000 1.088 618 I CA 2.393 63.743 61.300 0.083 0.000 1.357 618 I CB -1.292 36.776 38.000 0.114 0.000 1.051 618 I HN 0.479 nan 8.210 nan 0.000 0.409 619 K N 1.057 121.282 120.400 -0.292 0.000 2.032 619 K HA -0.257 4.063 4.320 -0.001 0.000 0.209 619 K C 2.141 178.737 176.600 -0.008 0.000 1.048 619 K CA 1.932 58.058 56.287 -0.269 0.000 0.927 619 K CB -0.165 31.976 32.500 -0.598 0.000 0.712 619 K HN 0.290 nan 8.250 nan 0.000 0.441 620 E N -0.187 119.998 120.200 -0.024 0.000 2.058 620 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 620 E C 1.795 178.438 176.600 0.072 0.000 0.997 620 E CA 1.257 57.674 56.400 0.030 0.000 0.801 620 E CB -0.180 29.535 29.700 0.025 0.000 0.746 620 E HN 0.459 nan 8.360 nan 0.000 0.450 621 A N 0.544 123.424 122.820 0.100 0.000 1.873 621 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 621 A C 2.021 179.675 177.584 0.116 0.000 1.186 621 A CA 1.260 53.363 52.037 0.109 0.000 0.616 621 A CB -0.923 18.164 19.000 0.144 0.000 0.823 621 A HN 0.501 nan 8.150 nan 0.000 0.442 622 F N 1.242 121.199 119.950 0.012 0.000 2.075 622 F HA -0.207 4.320 4.527 -0.001 0.000 0.297 622 F C 1.624 177.425 175.800 0.001 0.000 1.113 622 F CA 2.227 60.228 58.000 0.003 0.000 1.218 622 F CB -0.142 38.883 39.000 0.041 0.000 0.984 622 F HN 0.240 nan 8.300 nan 0.000 0.472 623 D N -0.376 120.184 120.400 0.268 0.000 2.264 623 D HA -0.137 4.503 4.640 -0.001 0.000 0.208 623 D C 2.434 178.745 176.300 0.018 0.000 0.966 623 D CA 1.265 55.355 54.000 0.152 0.000 0.864 623 D CB -0.522 40.366 40.800 0.146 0.000 0.933 623 D HN 0.381 nan 8.370 nan 0.000 0.499 624 S N -0.371 115.330 115.700 0.000 0.000 2.507 624 S HA -0.131 4.339 4.470 -0.001 0.000 0.235 624 S C 1.866 176.431 174.600 -0.059 0.000 0.988 624 S CA 1.399 59.585 58.200 -0.023 0.000 0.944 624 S CB -0.667 62.529 63.200 -0.007 0.000 0.762 624 S HN 0.335 nan 8.310 nan 0.000 0.526 625 T N -1.926 112.563 114.554 -0.108 0.000 3.088 625 T HA 0.313 4.662 4.350 -0.001 0.000 0.259 625 T C 0.623 175.261 174.700 -0.103 0.000 1.122 625 T CA 0.387 62.409 62.100 -0.129 0.000 1.095 625 T CB -0.157 68.578 68.868 -0.222 0.000 0.930 625 T HN 0.425 nan 8.240 nan 0.000 0.508 626 S N 0.079 115.726 115.700 -0.089 0.000 2.565 626 S HA 0.338 4.808 4.470 -0.001 0.000 0.274 626 S C 0.594 175.140 174.600 -0.091 0.000 1.144 626 S CA -0.839 57.323 58.200 -0.064 0.000 0.849 626 S CB 1.293 64.487 63.200 -0.010 0.000 1.103 626 S HN 0.405 nan 8.310 nan 0.000 0.455 627 R N 1.319 121.696 120.500 -0.205 0.000 2.115 627 R HA 0.084 4.424 4.340 -0.001 0.000 0.226 627 R C 1.087 177.176 176.300 -0.353 0.000 1.100 627 R CA 1.413 57.305 56.100 -0.347 0.000 0.980 627 R CB -0.594 29.368 30.300 -0.564 0.000 0.875 627 R HN 0.576 nan 8.270 nan 0.000 0.445 628 F N 1.974 121.937 119.950 0.021 0.000 2.512 628 F HA 0.265 4.791 4.527 -0.001 0.000 0.296 628 F C 1.359 177.199 175.800 0.068 0.000 1.110 628 F CA -0.071 57.952 58.000 0.037 0.000 1.446 628 F CB 0.125 39.141 39.000 0.027 0.000 1.092 628 F HN 0.021 nan 8.300 nan 0.000 0.554 629 A N 1.351 124.291 122.820 0.200 0.000 2.545 629 A HA 0.391 4.711 4.320 -0.001 0.000 0.297 629 A C -0.138 177.618 177.584 0.285 0.000 1.340 629 A CA -0.041 52.125 52.037 0.215 0.000 1.016 629 A CB -0.420 18.590 19.000 0.017 0.000 1.122 629 A HN 0.161 nan 8.150 nan 0.000 0.537 630 R N 1.987 122.677 120.500 0.316 0.000 2.412 630 R HA 0.355 4.695 4.340 -0.001 0.000 0.304 630 R C -0.887 175.535 176.300 0.204 0.000 1.066 630 R CA -0.699 55.548 56.100 0.245 0.000 0.923 630 R CB 0.923 31.320 30.300 0.162 0.000 1.156 630 R HN 0.657 nan 8.270 nan 0.000 0.513 631 L N 3.498 124.796 121.223 0.124 0.000 2.562 631 L HA 0.018 4.358 4.340 -0.001 0.000 0.271 631 L C 0.729 177.661 176.870 0.103 0.000 1.167 631 L CA 0.913 55.686 54.840 -0.112 0.000 0.917 631 L CB 0.692 42.533 42.059 -0.365 0.000 1.187 631 L HN 0.599 nan 8.230 nan 0.000 0.482 632 Q N 4.711 124.568 119.800 0.095 0.000 2.204 632 Q HA 0.096 4.436 4.340 -0.001 0.000 0.198 632 Q C -0.108 175.950 176.000 0.098 0.000 0.946 632 Q CA 1.001 56.870 55.803 0.111 0.000 0.859 632 Q CB 0.028 28.799 28.738 0.055 0.000 0.946 632 Q HN 0.794 nan 8.270 nan 0.000 0.474 633 K N -1.292 119.157 120.400 0.080 0.000 2.658 633 K HA 0.539 4.858 4.320 -0.001 0.000 0.293 633 K C -1.574 175.031 176.600 0.008 0.000 1.026 633 K CA -0.851 55.414 56.287 -0.037 0.000 0.871 633 K CB 0.779 33.215 32.500 -0.106 0.000 1.524 633 K HN -0.142 nan 8.250 nan 0.000 0.400 634 L N 1.585 122.770 121.223 -0.063 0.000 2.409 634 L HA 0.395 4.735 4.340 -0.001 0.000 0.272 634 L C -1.591 175.279 176.870 -0.001 0.000 0.980 634 L CA -0.295 54.500 54.840 -0.074 0.000 0.826 634 L CB 1.395 43.414 42.059 -0.066 0.000 1.268 634 L HN 0.827 nan 8.230 nan 0.000 0.407 635 H N 1.780 120.818 119.070 -0.054 0.000 2.587 635 H HA 0.683 5.238 4.556 -0.001 0.000 0.325 635 H C -1.018 174.372 175.328 0.104 0.000 1.012 635 H CA -0.163 55.899 56.048 0.023 0.000 1.213 635 H CB 1.135 30.920 29.762 0.039 0.000 1.431 635 H HN 0.568 nan 8.280 nan 0.000 0.492 636 T N 3.654 118.055 114.554 -0.255 0.000 2.859 636 T HA 0.468 4.818 4.350 -0.001 0.000 0.281 636 T C -0.734 173.785 174.700 -0.302 0.000 1.005 636 T CA -0.699 61.277 62.100 -0.206 0.000 1.025 636 T CB 1.116 69.906 68.868 -0.129 0.000 0.977 636 T HN 0.540 nan 8.240 nan 0.000 0.458 637 S N 2.509 118.059 115.700 -0.249 0.000 2.571 637 S HA 0.659 5.129 4.470 -0.001 0.000 0.284 637 S C -0.862 173.678 174.600 -0.100 0.000 1.128 637 S CA -0.747 57.329 58.200 -0.208 0.000 0.970 637 S CB 0.497 63.539 63.200 -0.264 0.000 1.039 637 S HN 0.589 nan 8.310 nan 0.000 0.485 638 I N 3.289 123.827 120.570 -0.053 0.000 2.437 638 I HA 0.647 4.817 4.170 -0.001 0.000 0.298 638 I C 0.130 176.265 176.117 0.030 0.000 0.984 638 I CA -0.684 60.610 61.300 -0.011 0.000 1.214 638 I CB 1.807 39.788 38.000 -0.032 0.000 1.365 638 I HN 0.783 nan 8.210 nan 0.000 0.469 639 A N 4.772 127.636 122.820 0.073 0.000 2.855 639 A HA 0.642 4.962 4.320 -0.001 0.000 0.313 639 A C 0.294 177.907 177.584 0.048 0.000 1.173 639 A CA 0.122 52.204 52.037 0.076 0.000 0.753 639 A CB 0.396 19.488 19.000 0.152 0.000 1.200 639 A HN 1.081 nan 8.150 nan 0.000 0.442 640 G N 2.884 111.694 108.800 0.017 0.000 2.591 640 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.298 640 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.298 640 G C 1.102 175.994 174.900 -0.013 0.000 1.195 640 G CA 0.899 46.002 45.100 0.004 0.000 0.989 640 G HN 1.625 nan 8.290 nan 0.000 0.551 641 R N 1.268 121.757 120.500 -0.019 0.000 2.313 641 R HA 0.173 4.513 4.340 -0.001 0.000 0.199 641 R C 0.248 176.507 176.300 -0.069 0.000 0.958 641 R CA 0.568 56.644 56.100 -0.040 0.000 1.047 641 R CB -0.226 30.055 30.300 -0.032 0.000 0.955 641 R HN 0.366 nan 8.270 nan 0.000 0.481 642 N N 1.260 119.920 118.700 -0.067 0.000 2.524 642 N HA 0.251 4.990 4.740 -0.001 0.000 0.283 642 N C -1.372 174.017 175.510 -0.201 0.000 1.142 642 N CA -0.475 52.478 53.050 -0.162 0.000 0.984 642 N CB 1.515 39.920 38.487 -0.137 0.000 1.155 642 N HN 0.076 nan 8.380 nan 0.000 0.467 643 L N 2.462 123.478 121.223 -0.345 0.000 2.406 643 L HA 0.438 4.778 4.340 -0.001 0.000 0.272 643 L C -1.807 174.789 176.870 -0.456 0.000 0.980 643 L CA -0.619 54.055 54.840 -0.277 0.000 0.831 643 L CB 0.812 42.754 42.059 -0.195 0.000 1.253 643 L HN 0.438 nan 8.230 nan 0.000 0.406 644 Y N 5.659 125.799 120.300 -0.267 0.000 2.331 644 Y HA 0.630 5.180 4.550 -0.001 0.000 0.338 644 Y C -0.137 175.603 175.900 -0.266 0.000 0.992 644 Y CA -0.430 57.457 58.100 -0.356 0.000 1.121 644 Y CB 1.418 39.358 38.460 -0.867 0.000 1.184 644 Y HN 0.382 nan 8.280 nan 0.000 0.469 645 I N 4.218 124.820 120.570 0.053 0.000 2.410 645 I HA 0.396 4.565 4.170 -0.001 0.000 0.286 645 I C -0.289 175.947 176.117 0.197 0.000 1.009 645 I CA -0.808 60.516 61.300 0.041 0.000 1.111 645 I CB 1.630 39.594 38.000 -0.061 0.000 1.262 645 I HN 0.454 nan 8.210 nan 0.000 0.443 646 R N 6.186 126.821 120.500 0.225 0.000 2.204 646 R HA 0.431 4.771 4.340 -0.001 0.000 0.341 646 R C -1.350 174.980 176.300 0.051 0.000 1.035 646 R CA -0.472 55.779 56.100 0.252 0.000 0.887 646 R CB 0.459 30.908 30.300 0.248 0.000 1.114 646 R HN 0.341 nan 8.270 nan 0.000 0.473 647 F N 2.607 122.636 119.950 0.131 0.000 2.420 647 F HA 0.230 4.757 4.527 -0.001 0.000 0.352 647 F C 0.585 176.397 175.800 0.021 0.000 1.108 647 F CA -0.031 57.989 58.000 0.033 0.000 1.162 647 F CB 1.458 40.478 39.000 0.032 0.000 1.118 647 F HN 0.380 nan 8.300 nan 0.000 0.510 648 Q N 2.641 122.507 119.800 0.110 0.000 2.330 648 Q HA 0.616 4.956 4.340 -0.001 0.000 0.269 648 Q C -1.171 174.862 176.000 0.056 0.000 1.022 648 Q CA -0.487 55.370 55.803 0.090 0.000 0.796 648 Q CB 1.934 30.703 28.738 0.052 0.000 1.271 648 Q HN 0.709 nan 8.270 nan 0.000 0.450 649 S N 2.691 118.460 115.700 0.115 0.000 2.550 649 S HA 0.584 5.054 4.470 -0.001 0.000 0.270 649 S C -1.202 173.494 174.600 0.161 0.000 1.145 649 S CA -0.838 57.452 58.200 0.149 0.000 0.852 649 S CB 1.173 64.547 63.200 0.289 0.000 1.119 649 S HN 0.635 nan 8.310 nan 0.000 0.465 650 R N 1.335 121.928 120.500 0.154 0.000 2.649 650 R HA 0.464 4.804 4.340 -0.001 0.000 0.270 650 R C 0.419 176.815 176.300 0.159 0.000 1.105 650 R CA 0.180 56.358 56.100 0.130 0.000 1.193 650 R CB 0.518 30.892 30.300 0.124 0.000 1.120 650 R HN 0.898 nan 8.270 nan 0.000 0.561 651 S N -1.956 113.811 115.700 0.112 0.000 2.865 651 S HA 0.244 4.714 4.470 -0.001 0.000 0.240 651 S C 0.684 175.256 174.600 -0.045 0.000 0.795 651 S CA 0.009 58.267 58.200 0.096 0.000 1.073 651 S CB 0.035 63.275 63.200 0.066 0.000 1.393 651 S HN 1.044 nan 8.310 nan 0.000 0.491 652 G N 2.956 111.732 108.800 -0.041 0.000 2.574 652 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.286 652 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.286 652 G C 0.048 174.816 174.900 -0.220 0.000 1.212 652 G CA 0.745 45.680 45.100 -0.275 0.000 0.979 652 G HN 0.477 nan 8.290 nan 0.000 0.557 653 D N 1.925 122.141 120.400 -0.306 0.000 2.349 653 D HA 0.418 5.058 4.640 -0.001 0.000 0.214 653 D C 1.278 177.482 176.300 -0.161 0.000 1.063 653 D CA 0.804 54.693 54.000 -0.186 0.000 0.847 653 D CB 0.239 40.940 40.800 -0.165 0.000 0.933 653 D HN 0.745 nan 8.370 nan 0.000 0.513 654 A N 1.038 123.750 122.820 -0.180 0.000 2.302 654 A HA 0.217 4.537 4.320 -0.001 0.000 0.285 654 A C 1.323 178.862 177.584 -0.076 0.000 1.105 654 A CA -0.420 51.544 52.037 -0.121 0.000 0.816 654 A CB 1.107 20.038 19.000 -0.114 0.000 1.067 654 A HN 0.003 nan 8.150 nan 0.000 0.489 655 M N 1.439 121.001 119.600 -0.063 0.000 2.149 655 M HA -0.059 4.421 4.480 -0.001 0.000 0.261 655 M C 1.374 177.669 176.300 -0.008 0.000 1.064 655 M CA 2.696 57.971 55.300 -0.042 0.000 1.102 655 M CB -0.738 31.832 32.600 -0.050 0.000 1.369 655 M HN 1.660 nan 8.290 nan 0.000 0.408 656 G N -1.006 107.792 108.800 -0.004 0.000 2.194 656 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.236 656 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.236 656 G C 0.865 175.790 174.900 0.042 0.000 0.987 656 G CA 0.572 45.688 45.100 0.027 0.000 0.635 656 G HN 0.376 nan 8.290 nan 0.000 0.520 657 M N 0.761 120.381 119.600 0.033 0.000 2.073 657 M HA -0.098 4.381 4.480 -0.001 0.000 0.258 657 M C 2.376 178.693 176.300 0.029 0.000 1.070 657 M CA 2.200 57.524 55.300 0.041 0.000 1.103 657 M CB -1.238 31.382 32.600 0.035 0.000 1.321 657 M HN 0.366 nan 8.290 nan 0.000 0.405 658 N N 0.043 118.751 118.700 0.013 0.000 2.120 658 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 658 N C 1.734 177.236 175.510 -0.013 0.000 1.024 658 N CA 1.248 54.298 53.050 0.000 0.000 0.852 658 N CB -0.498 37.987 38.487 -0.002 0.000 1.003 658 N HN 0.413 nan 8.380 nan 0.000 0.424 659 M N 0.403 120.000 119.600 -0.004 0.000 2.086 659 M HA -0.110 4.370 4.480 -0.001 0.000 0.261 659 M C 1.357 177.620 176.300 -0.061 0.000 1.067 659 M CA 1.400 56.687 55.300 -0.022 0.000 1.116 659 M CB 0.045 32.660 32.600 0.023 0.000 1.348 659 M HN -0.042 nan 8.290 nan 0.000 0.407 660 I N -0.009 120.576 120.570 0.024 0.000 2.315 660 I HA -0.195 3.975 4.170 -0.001 0.000 0.248 660 I C 2.407 178.530 176.117 0.011 0.000 1.117 660 I CA 1.162 62.522 61.300 0.099 0.000 1.404 660 I CB -1.769 36.359 38.000 0.215 0.000 1.071 660 I HN 0.299 nan 8.210 nan 0.000 0.419 661 S N 0.650 116.347 115.700 -0.004 0.000 2.368 661 S HA -0.205 4.265 4.470 -0.001 0.000 0.225 661 S C 2.027 176.571 174.600 -0.094 0.000 1.030 661 S CA 1.392 59.576 58.200 -0.027 0.000 0.999 661 S CB -0.141 63.056 63.200 -0.005 0.000 0.844 661 S HN 0.397 nan 8.310 nan 0.000 0.459 662 K N 0.999 121.327 120.400 -0.120 0.000 2.026 662 K HA -0.073 4.246 4.320 -0.001 0.000 0.208 662 K C 2.216 178.660 176.600 -0.260 0.000 1.048 662 K CA 1.373 57.569 56.287 -0.152 0.000 0.929 662 K CB -0.645 31.777 32.500 -0.130 0.000 0.713 662 K HN 0.346 nan 8.250 nan 0.000 0.439 663 G N -0.477 108.046 108.800 -0.461 0.000 2.422 663 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.218 663 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.218 663 G C 1.386 175.962 174.900 -0.540 0.000 1.146 663 G CA 1.356 45.923 45.100 -0.888 0.000 0.769 663 G HN 0.350 nan 8.290 nan 0.000 0.547 664 T N 0.912 115.273 114.554 -0.321 0.000 2.821 664 T HA -0.054 4.296 4.350 -0.001 0.000 0.267 664 T C 2.179 176.727 174.700 -0.254 0.000 1.046 664 T CA 1.485 63.340 62.100 -0.408 0.000 1.139 664 T CB -0.151 68.489 68.868 -0.379 0.000 0.871 664 T HN 0.493 nan 8.240 nan 0.000 0.454 665 E N 0.778 120.882 120.200 -0.159 0.000 2.077 665 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 665 E C 2.412 178.977 176.600 -0.057 0.000 0.989 665 E CA 0.762 57.111 56.400 -0.086 0.000 0.800 665 E CB 0.003 29.660 29.700 -0.073 0.000 0.746 665 E HN 0.218 nan 8.360 nan 0.000 0.452 666 K N 0.484 120.836 120.400 -0.080 0.000 2.097 666 K HA -0.045 4.274 4.320 -0.001 0.000 0.205 666 K C 2.118 178.742 176.600 0.040 0.000 1.050 666 K CA 1.023 57.291 56.287 -0.030 0.000 0.938 666 K CB -0.300 32.162 32.500 -0.063 0.000 0.718 666 K HN 0.085 nan 8.250 nan 0.000 0.442 667 A N 1.435 124.287 122.820 0.055 0.000 1.902 667 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 667 A C 2.299 180.012 177.584 0.215 0.000 1.181 667 A CA 1.140 53.290 52.037 0.187 0.000 0.623 667 A CB -0.577 18.596 19.000 0.288 0.000 0.818 667 A HN 0.175 nan 8.150 nan 0.000 0.443 668 L N -0.955 120.352 121.223 0.140 0.000 2.093 668 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 668 L C 2.817 179.786 176.870 0.166 0.000 1.085 668 L CA 1.262 56.207 54.840 0.174 0.000 0.755 668 L CB -0.466 41.661 42.059 0.114 0.000 0.904 668 L HN 0.327 nan 8.230 nan 0.000 0.435 669 S N -0.152 115.615 115.700 0.113 0.000 2.368 669 S HA -0.204 4.266 4.470 -0.001 0.000 0.225 669 S C 1.969 176.671 174.600 0.169 0.000 1.030 669 S CA 1.522 59.785 58.200 0.105 0.000 0.999 669 S CB -0.050 63.178 63.200 0.048 0.000 0.844 669 S HN 0.228 nan 8.310 nan 0.000 0.459 670 K N 1.554 122.064 120.400 0.182 0.000 2.025 670 K HA 0.027 4.346 4.320 -0.001 0.000 0.207 670 K C 1.888 178.673 176.600 0.308 0.000 1.049 670 K CA 1.057 57.484 56.287 0.233 0.000 0.933 670 K CB -0.864 31.787 32.500 0.252 0.000 0.714 670 K HN 0.251 nan 8.250 nan 0.000 0.438 671 L N 1.092 122.493 121.223 0.297 0.000 2.079 671 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 671 L C 2.353 179.372 176.870 0.247 0.000 1.081 671 L CA 2.083 57.088 54.840 0.275 0.000 0.752 671 L CB -0.861 41.354 42.059 0.261 0.000 0.896 671 L HN 0.522 nan 8.230 nan 0.000 0.433 672 H N -0.306 118.849 119.070 0.141 0.000 2.456 672 H HA -0.132 4.424 4.556 -0.001 0.000 0.296 672 H C 1.813 177.160 175.328 0.031 0.000 1.079 672 H CA 1.674 57.776 56.048 0.090 0.000 1.322 672 H CB 0.329 30.124 29.762 0.056 0.000 1.388 672 H HN 0.575 nan 8.280 nan 0.000 0.538 673 E N -0.428 119.793 120.200 0.036 0.000 2.106 673 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 673 E C 1.600 177.979 176.600 -0.369 0.000 0.984 673 E CA 1.000 57.313 56.400 -0.145 0.000 0.806 673 E CB -0.023 29.589 29.700 -0.146 0.000 0.750 673 E HN 0.574 nan 8.360 nan 0.000 0.458 674 Y N -1.138 118.958 120.300 -0.340 0.000 2.420 674 Y HA 0.048 4.597 4.550 -0.001 0.000 0.292 674 Y C 0.582 175.892 175.900 -0.984 0.000 1.119 674 Y CA 0.466 58.147 58.100 -0.699 0.000 1.229 674 Y CB 0.450 38.285 38.460 -1.041 0.000 1.026 674 Y HN -0.098 nan 8.280 nan 0.000 0.554 675 F N 0.991 120.799 119.950 -0.238 0.000 2.622 675 F HA 0.335 4.862 4.527 -0.000 0.000 0.338 675 F C -1.826 173.757 175.800 -0.360 0.000 1.334 675 F CA -2.343 55.505 58.000 -0.254 0.000 1.179 675 F CB 1.004 39.868 39.000 -0.227 0.000 1.471 675 F HN -0.159 nan 8.300 nan 0.000 0.576 676 P HA -0.203 nan 4.420 nan 0.000 0.220 676 P C 0.652 177.832 177.300 -0.200 0.000 1.144 676 P CA 1.523 64.304 63.100 -0.532 0.000 0.800 676 P CB 0.336 31.862 31.700 -0.290 0.000 0.772 677 E N -1.054 119.109 120.200 -0.062 0.000 2.502 677 E HA 0.066 4.415 4.350 -0.001 0.000 0.194 677 E C 1.088 177.712 176.600 0.040 0.000 1.062 677 E CA -0.273 56.134 56.400 0.012 0.000 0.867 677 E CB -0.230 29.478 29.700 0.014 0.000 0.888 677 E HN 0.295 nan 8.360 nan 0.000 0.510 678 M N 2.070 121.702 119.600 0.053 0.000 2.188 678 M HA 0.008 4.488 4.480 -0.001 0.000 0.354 678 M C -0.390 175.992 176.300 0.137 0.000 1.342 678 M CA 0.213 55.558 55.300 0.075 0.000 1.117 678 M CB 0.668 33.315 32.600 0.079 0.000 1.670 678 M HN -0.143 nan 8.290 nan 0.000 0.466 679 Q N 5.747 125.585 119.800 0.062 0.000 2.307 679 Q HA 0.420 4.760 4.340 -0.001 0.000 0.262 679 Q C -1.449 174.563 176.000 0.021 0.000 0.961 679 Q CA -0.567 55.264 55.803 0.047 0.000 0.882 679 Q CB 1.102 29.851 28.738 0.018 0.000 1.264 679 Q HN 0.830 nan 8.270 nan 0.000 0.446 680 I N 5.537 126.119 120.570 0.021 0.000 2.322 680 I HA -0.038 4.132 4.170 -0.001 0.000 0.292 680 I C 0.715 176.829 176.117 -0.006 0.000 1.060 680 I CA -0.247 61.057 61.300 0.008 0.000 1.309 680 I CB 0.782 38.789 38.000 0.012 0.000 1.415 680 I HN 0.719 nan 8.210 nan 0.000 0.492 681 L N 6.841 128.053 121.223 -0.019 0.000 2.102 681 L HA 0.291 4.630 4.340 -0.001 0.000 0.202 681 L C 0.799 177.670 176.870 0.001 0.000 1.076 681 L CA 1.130 55.961 54.840 -0.016 0.000 0.761 681 L CB -0.025 42.013 42.059 -0.035 0.000 0.921 681 L HN 0.738 nan 8.230 nan 0.000 0.444 682 A N -2.475 120.351 122.820 0.009 0.000 2.555 682 A HA 0.399 4.719 4.320 -0.001 0.000 0.297 682 A C 0.258 177.870 177.584 0.047 0.000 1.060 682 A CA -0.035 52.020 52.037 0.031 0.000 0.710 682 A CB 0.614 19.642 19.000 0.047 0.000 1.282 682 A HN -0.177 nan 8.150 nan 0.000 0.399 683 V N 1.433 121.375 119.914 0.046 0.000 2.720 683 V HA 0.023 4.143 4.120 -0.001 0.000 0.256 683 V C 0.970 177.121 176.094 0.094 0.000 1.082 683 V CA 2.625 64.959 62.300 0.056 0.000 1.101 683 V CB 0.147 31.988 31.823 0.029 0.000 0.693 683 V HN 1.141 nan 8.190 nan 0.000 0.479 684 S N -0.655 115.104 115.700 0.099 0.000 2.707 684 S HA 0.617 5.086 4.470 -0.001 0.000 0.312 684 S C 0.427 175.118 174.600 0.150 0.000 1.116 684 S CA -0.017 58.264 58.200 0.134 0.000 1.078 684 S CB 1.270 64.537 63.200 0.112 0.000 0.997 684 S HN 0.428 nan 8.310 nan 0.000 0.477 685 G N 3.054 111.983 108.800 0.216 0.000 3.707 685 G HA2 0.219 4.178 3.960 -0.001 0.000 0.286 685 G HA3 0.219 4.178 3.960 -0.001 0.000 0.286 685 G C 0.403 175.492 174.900 0.315 0.000 1.112 685 G CA -0.581 44.683 45.100 0.273 0.000 0.861 685 G HN 0.806 nan 8.290 nan 0.000 0.534 686 N N -1.486 117.354 118.700 0.233 0.000 2.800 686 N HA -0.234 4.505 4.740 -0.001 0.000 0.250 686 N C 0.355 176.008 175.510 0.238 0.000 1.078 686 N CA 0.835 53.998 53.050 0.189 0.000 0.804 686 N CB -1.548 37.019 38.487 0.133 0.000 1.135 686 N HN 0.531 nan 8.380 nan 0.000 0.565 687 Y N -0.138 120.249 120.300 0.145 0.000 2.468 687 Y HA 0.224 4.773 4.550 -0.001 0.000 0.268 687 Y C 1.733 177.716 175.900 0.137 0.000 1.177 687 Y CA -0.031 58.144 58.100 0.126 0.000 1.265 687 Y CB -0.016 38.568 38.460 0.208 0.000 1.103 687 Y HN 0.357 nan 8.280 nan 0.000 0.522 688 C N -0.879 118.516 119.300 0.158 0.000 2.442 688 C HA -0.065 4.395 4.460 -0.001 0.000 0.279 688 C C 1.186 176.185 174.990 0.015 0.000 1.237 688 C CA 1.046 60.124 59.018 0.099 0.000 1.722 688 C CB -1.202 26.613 27.740 0.125 0.000 2.056 688 C HN 0.329 nan 8.230 nan 0.000 0.469 689 T N 0.783 115.346 114.554 0.016 0.000 2.794 689 T HA 0.393 4.742 4.350 -0.001 0.000 0.280 689 T C -1.083 173.652 174.700 0.059 0.000 0.987 689 T CA 0.096 62.226 62.100 0.049 0.000 0.993 689 T CB 1.383 70.271 68.868 0.034 0.000 0.939 689 T HN 0.309 nan 8.240 nan 0.000 0.449 690 D N 2.102 122.544 120.400 0.071 0.000 2.280 690 D HA 0.331 4.971 4.640 -0.001 0.000 0.236 690 D C 0.066 176.401 176.300 0.057 0.000 1.082 690 D CA -0.432 53.608 54.000 0.066 0.000 0.834 690 D CB 0.443 41.286 40.800 0.071 0.000 1.100 690 D HN 0.490 nan 8.370 nan 0.000 0.486 691 K N 0.850 121.282 120.400 0.053 0.000 3.209 691 K HA -0.233 4.087 4.320 -0.001 0.000 0.289 691 K C -0.624 175.996 176.600 0.034 0.000 1.191 691 K CA 0.768 57.081 56.287 0.044 0.000 0.851 691 K CB -0.904 31.622 32.500 0.044 0.000 1.242 691 K HN 0.322 nan 8.250 nan 0.000 0.480 692 K N 0.085 120.505 120.400 0.033 0.000 2.464 692 K HA 0.352 4.672 4.320 -0.001 0.000 0.253 692 K C -2.714 173.898 176.600 0.019 0.000 0.933 692 K CA -1.993 54.308 56.287 0.024 0.000 0.801 692 K CB 1.600 34.118 32.500 0.030 0.000 1.271 692 K HN -0.224 nan 8.250 nan 0.000 0.430 693 P HA 0.261 nan 4.420 nan 0.000 0.268 693 P C -1.356 175.948 177.300 0.007 0.000 1.204 693 P CA -0.357 62.740 63.100 -0.005 0.000 0.768 693 P CB 1.081 32.764 31.700 -0.029 0.000 0.842 694 A N 2.205 125.037 122.820 0.020 0.000 2.513 694 A HA 0.547 4.867 4.320 -0.001 0.000 0.296 694 A C 0.856 178.477 177.584 0.061 0.000 1.052 694 A CA -0.113 51.941 52.037 0.030 0.000 0.714 694 A CB 1.077 20.092 19.000 0.025 0.000 1.279 694 A HN 0.398 nan 8.150 nan 0.000 0.397 695 A N 1.819 124.678 122.820 0.065 0.000 1.978 695 A HA -0.075 4.245 4.320 -0.001 0.000 0.220 695 A C 1.783 179.447 177.584 0.133 0.000 1.170 695 A CA 1.862 53.974 52.037 0.126 0.000 0.636 695 A CB -0.591 18.470 19.000 0.101 0.000 0.810 695 A HN 1.247 nan 8.150 nan 0.000 0.448 696 I N -0.204 120.392 120.570 0.044 0.000 2.286 696 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 696 I C 1.851 177.961 176.117 -0.013 0.000 1.115 696 I CA 1.547 62.829 61.300 -0.029 0.000 1.392 696 I CB -0.163 37.739 38.000 -0.162 0.000 1.065 696 I HN 0.294 nan 8.210 nan 0.000 0.418 697 N N 0.380 119.104 118.700 0.041 0.000 2.188 697 N HA -0.242 4.498 4.740 -0.001 0.000 0.184 697 N C 1.467 177.051 175.510 0.124 0.000 1.018 697 N CA 1.401 54.489 53.050 0.062 0.000 0.858 697 N CB -0.600 37.938 38.487 0.084 0.000 0.989 697 N HN 0.615 nan 8.380 nan 0.000 0.426 698 W N 1.512 122.799 121.300 -0.022 0.000 2.381 698 W HA -0.050 4.610 4.660 0.001 0.000 0.301 698 W C 1.427 177.934 176.519 -0.020 0.000 1.205 698 W CA 0.810 58.151 57.345 -0.006 0.000 1.285 698 W CB -0.113 29.357 29.460 0.017 0.000 1.133 698 W HN -0.019 nan 8.180 nan 0.000 0.521 699 I N 0.419 120.965 120.570 -0.040 0.000 2.480 699 I HA -0.178 3.991 4.170 -0.001 0.000 0.251 699 I C 1.884 177.888 176.117 -0.187 0.000 1.124 699 I CA 1.257 62.451 61.300 -0.176 0.000 1.444 699 I CB -0.380 37.591 38.000 -0.048 0.000 1.098 699 I HN -0.117 nan 8.210 nan 0.000 0.428 700 E N 0.634 120.747 120.200 -0.144 0.000 2.460 700 E HA 0.257 4.606 4.350 -0.001 0.000 0.200 700 E C 0.717 177.244 176.600 -0.121 0.000 1.011 700 E CA 0.302 56.608 56.400 -0.157 0.000 0.912 700 E CB 0.619 30.201 29.700 -0.196 0.000 0.953 700 E HN 0.424 nan 8.360 nan 0.000 0.494 701 G N 2.028 110.770 108.800 -0.097 0.000 2.758 701 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.686 701 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.686 701 G C -0.651 174.234 174.900 -0.025 0.000 1.389 701 G CA -0.272 44.791 45.100 -0.062 0.000 0.845 701 G HN 0.181 nan 8.290 nan 0.000 0.572 702 R N 0.551 121.053 120.500 0.003 0.000 2.536 702 R HA 0.591 4.930 4.340 -0.001 0.000 0.269 702 R C 0.955 177.275 176.300 0.034 0.000 1.113 702 R CA 0.806 56.920 56.100 0.023 0.000 0.948 702 R CB 1.087 31.409 30.300 0.036 0.000 1.237 702 R HN 2.807 nan 8.270 nan 0.000 0.441 703 G N 3.249 112.071 108.800 0.037 0.000 2.536 703 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.280 703 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.280 703 G C -1.001 173.913 174.900 0.024 0.000 1.152 703 G CA 0.173 45.295 45.100 0.036 0.000 0.970 703 G HN 0.509 nan 8.290 nan 0.000 0.549 704 K N 0.706 121.120 120.400 0.023 0.000 2.185 704 K HA 0.642 4.962 4.320 -0.001 0.000 0.269 704 K C -0.520 176.083 176.600 0.006 0.000 0.987 704 K CA -0.135 56.159 56.287 0.011 0.000 0.865 704 K CB 1.708 34.213 32.500 0.008 0.000 1.090 704 K HN 0.425 nan 8.250 nan 0.000 0.450 705 S N 1.705 117.399 115.700 -0.011 0.000 2.437 705 S HA 0.523 4.993 4.470 -0.001 0.000 0.305 705 S C -0.737 173.849 174.600 -0.023 0.000 1.109 705 S CA -0.856 57.328 58.200 -0.027 0.000 1.099 705 S CB 1.092 64.260 63.200 -0.055 0.000 1.004 705 S HN 0.262 nan 8.310 nan 0.000 0.475 706 V N 2.957 122.860 119.914 -0.019 0.000 2.925 706 V HA 0.681 4.801 4.120 -0.001 0.000 0.311 706 V C -0.620 175.466 176.094 -0.014 0.000 1.104 706 V CA -0.784 61.507 62.300 -0.014 0.000 0.954 706 V CB 2.077 33.896 31.823 -0.008 0.000 1.022 706 V HN 0.603 nan 8.190 nan 0.000 0.427 707 V N 2.920 122.828 119.914 -0.010 0.000 2.735 707 V HA 0.805 4.925 4.120 -0.001 0.000 0.310 707 V C -0.963 175.131 176.094 0.000 0.000 1.061 707 V CA -0.189 62.109 62.300 -0.003 0.000 0.913 707 V CB 1.868 33.691 31.823 -0.001 0.000 1.005 707 V HN 1.147 nan 8.190 nan 0.000 0.428 708 C N 5.567 124.865 119.300 -0.003 0.000 2.898 708 C HA 0.944 5.404 4.460 -0.001 0.000 0.304 708 C C -0.955 174.015 174.990 -0.034 0.000 1.237 708 C CA -0.020 58.991 59.018 -0.011 0.000 1.529 708 C CB 1.531 29.261 27.740 -0.017 0.000 2.021 708 C HN 1.121 nan 8.230 nan 0.000 0.474 709 E N 2.783 122.957 120.200 -0.044 0.000 2.423 709 E HA 0.799 5.148 4.350 -0.001 0.000 0.280 709 E C -1.389 175.150 176.600 -0.102 0.000 1.030 709 E CA -0.760 55.566 56.400 -0.123 0.000 0.812 709 E CB 1.741 31.414 29.700 -0.045 0.000 1.313 709 E HN 1.196 nan 8.360 nan 0.000 0.456 710 A N 0.696 123.402 122.820 -0.189 0.000 2.601 710 A HA 0.593 4.913 4.320 -0.001 0.000 0.291 710 A C -1.713 175.809 177.584 -0.102 0.000 1.075 710 A CA -0.668 51.314 52.037 -0.090 0.000 0.671 710 A CB 1.884 20.846 19.000 -0.064 0.000 1.277 710 A HN 0.380 nan 8.150 nan 0.000 0.417 711 V N 2.311 122.226 119.914 0.003 0.000 2.444 711 V HA 0.444 4.564 4.120 -0.001 0.000 0.294 711 V C -0.894 175.216 176.094 0.028 0.000 1.022 711 V CA -0.478 61.852 62.300 0.050 0.000 0.850 711 V CB 1.440 33.328 31.823 0.107 0.000 0.992 711 V HN 0.641 nan 8.190 nan 0.000 0.426 712 I N 6.521 127.104 120.570 0.022 0.000 2.312 712 I HA 0.422 4.591 4.170 -0.001 0.000 0.290 712 I C -2.418 173.715 176.117 0.027 0.000 1.008 712 I CA -3.030 58.281 61.300 0.018 0.000 1.226 712 I CB 1.221 39.227 38.000 0.009 0.000 1.371 712 I HN 0.332 nan 8.210 nan 0.000 0.468 713 P HA 0.075 nan 4.420 nan 0.000 0.267 713 P C 0.762 178.075 177.300 0.022 0.000 1.200 713 P CA 0.088 63.202 63.100 0.025 0.000 0.772 713 P CB 0.888 32.600 31.700 0.021 0.000 0.855 714 A N 4.214 127.047 122.820 0.022 0.000 1.927 714 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 714 A C 2.072 179.666 177.584 0.016 0.000 1.185 714 A CA 1.929 53.978 52.037 0.019 0.000 0.639 714 A CB -1.143 17.867 19.000 0.017 0.000 0.820 714 A HN 0.592 nan 8.150 nan 0.000 0.451 715 K N -0.444 119.966 120.400 0.016 0.000 2.097 715 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 715 K C 1.774 178.384 176.600 0.015 0.000 1.049 715 K CA 1.598 57.894 56.287 0.014 0.000 0.933 715 K CB -0.220 32.287 32.500 0.013 0.000 0.717 715 K HN 0.291 nan 8.250 nan 0.000 0.442 716 V N 0.719 120.643 119.914 0.016 0.000 2.453 716 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 716 V C 2.282 178.387 176.094 0.018 0.000 1.048 716 V CA 1.168 63.478 62.300 0.017 0.000 1.049 716 V CB 0.036 31.869 31.823 0.016 0.000 0.672 716 V HN 0.126 nan 8.190 nan 0.000 0.457 717 V N 0.151 120.075 119.914 0.018 0.000 2.343 717 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 717 V C 2.571 178.677 176.094 0.019 0.000 1.051 717 V CA 2.071 64.381 62.300 0.018 0.000 1.036 717 V CB -0.743 31.090 31.823 0.016 0.000 0.654 717 V HN 0.490 nan 8.190 nan 0.000 0.451 718 R N -0.043 120.468 120.500 0.018 0.000 2.057 718 R HA -0.089 4.250 4.340 -0.001 0.000 0.229 718 R C 2.335 178.649 176.300 0.024 0.000 1.136 718 R CA 1.584 57.695 56.100 0.019 0.000 0.952 718 R CB -0.285 30.025 30.300 0.016 0.000 0.848 718 R HN 0.573 nan 8.270 nan 0.000 0.430 719 E N 0.030 120.243 120.200 0.021 0.000 2.107 719 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 719 E C 1.930 178.544 176.600 0.024 0.000 0.982 719 E CA 1.101 57.514 56.400 0.022 0.000 0.809 719 E CB 0.248 29.958 29.700 0.017 0.000 0.756 719 E HN 0.094 nan 8.360 nan 0.000 0.459 720 V N 0.816 120.744 119.914 0.024 0.000 2.492 720 V HA -0.082 4.037 4.120 -0.001 0.000 0.241 720 V C 2.008 178.123 176.094 0.035 0.000 1.041 720 V CA 0.935 63.251 62.300 0.025 0.000 1.057 720 V CB -0.138 31.698 31.823 0.021 0.000 0.711 720 V HN 0.208 nan 8.190 nan 0.000 0.468 721 L N -0.112 121.132 121.223 0.035 0.000 2.554 721 L HA 0.136 4.476 4.340 -0.001 0.000 0.226 721 L C 0.710 177.615 176.870 0.058 0.000 1.137 721 L CA 0.138 55.004 54.840 0.043 0.000 0.863 721 L CB -0.177 41.899 42.059 0.028 0.000 0.985 721 L HN 0.285 nan 8.230 nan 0.000 0.451 722 K N 0.682 121.117 120.400 0.059 0.000 3.096 722 K HA -0.189 4.130 4.320 -0.001 0.000 0.266 722 K C 0.147 176.765 176.600 0.030 0.000 1.043 722 K CA 0.990 57.323 56.287 0.075 0.000 0.758 722 K CB -2.299 30.310 32.500 0.180 0.000 1.260 722 K HN 0.468 nan 8.250 nan 0.000 0.481 723 T N -1.751 112.810 114.554 0.012 0.000 2.612 723 T HA 0.579 4.929 4.350 -0.001 0.000 0.296 723 T C -1.169 173.530 174.700 -0.002 0.000 1.148 723 T CA 0.295 62.388 62.100 -0.011 0.000 1.077 723 T CB 1.681 70.532 68.868 -0.028 0.000 1.591 723 T HN 0.286 nan 8.240 nan 0.000 0.479 724 T N -1.144 113.406 114.554 -0.006 0.000 2.916 724 T HA 0.499 4.849 4.350 -0.001 0.000 0.292 724 T C 1.084 175.787 174.700 0.005 0.000 1.055 724 T CA -0.147 61.954 62.100 0.002 0.000 1.009 724 T CB 1.132 70.000 68.868 -0.000 0.000 1.118 724 T HN 0.468 nan 8.240 nan 0.000 0.497 725 T N 0.539 115.099 114.554 0.011 0.000 2.746 725 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 725 T C 1.659 176.369 174.700 0.015 0.000 1.039 725 T CA 1.867 63.977 62.100 0.017 0.000 1.142 725 T CB -0.413 68.469 68.868 0.024 0.000 0.866 725 T HN 0.853 nan 8.240 nan 0.000 0.444 726 E N 0.912 121.119 120.200 0.011 0.000 2.058 726 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 726 E C 2.395 178.997 176.600 0.005 0.000 0.997 726 E CA 1.163 57.568 56.400 0.009 0.000 0.801 726 E CB -0.239 29.464 29.700 0.006 0.000 0.746 726 E HN 0.475 nan 8.360 nan 0.000 0.450 727 A N 0.998 123.817 122.820 -0.001 0.000 1.902 727 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 727 A C 2.218 179.798 177.584 -0.006 0.000 1.181 727 A CA 1.588 53.620 52.037 -0.008 0.000 0.623 727 A CB -0.420 18.569 19.000 -0.019 0.000 0.818 727 A HN 0.300 nan 8.150 nan 0.000 0.443 728 M N -0.530 119.069 119.600 -0.002 0.000 2.108 728 M HA -0.105 4.374 4.480 -0.001 0.000 0.261 728 M C 2.189 178.495 176.300 0.010 0.000 1.066 728 M CA 1.462 56.763 55.300 0.002 0.000 1.107 728 M CB -1.087 31.517 32.600 0.007 0.000 1.356 728 M HN 0.435 nan 8.290 nan 0.000 0.406 729 I N -0.230 120.350 120.570 0.017 0.000 2.252 729 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 729 I C 2.414 178.542 176.117 0.019 0.000 1.102 729 I CA 0.974 62.289 61.300 0.024 0.000 1.385 729 I CB -0.393 37.624 38.000 0.029 0.000 1.064 729 I HN 0.255 nan 8.210 nan 0.000 0.414 730 E N 0.496 120.703 120.200 0.011 0.000 2.110 730 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 730 E C 2.431 179.035 176.600 0.006 0.000 0.988 730 E CA 1.106 57.511 56.400 0.008 0.000 0.804 730 E CB -0.270 29.432 29.700 0.002 0.000 0.745 730 E HN 0.331 nan 8.360 nan 0.000 0.458 731 V N 1.696 121.611 119.914 0.002 0.000 2.358 731 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 731 V C 2.243 178.342 176.094 0.008 0.000 1.047 731 V CA 1.828 64.127 62.300 -0.002 0.000 1.035 731 V CB -0.671 31.145 31.823 -0.012 0.000 0.658 731 V HN 0.220 nan 8.190 nan 0.000 0.452 732 N N 0.405 119.115 118.700 0.016 0.000 2.069 732 N HA -0.155 4.584 4.740 -0.001 0.000 0.191 732 N C 1.646 177.180 175.510 0.040 0.000 1.031 732 N CA 1.805 54.873 53.050 0.029 0.000 0.852 732 N CB -0.246 38.262 38.487 0.035 0.000 1.018 732 N HN 0.470 nan 8.380 nan 0.000 0.423 733 I N 0.241 120.833 120.570 0.036 0.000 2.179 733 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 733 I C 1.603 177.742 176.117 0.037 0.000 1.088 733 I CA 0.925 62.248 61.300 0.039 0.000 1.357 733 I CB -0.314 37.704 38.000 0.030 0.000 1.051 733 I HN 0.265 nan 8.210 nan 0.000 0.409 734 N N 0.528 119.243 118.700 0.025 0.000 2.409 734 N HA -0.134 4.606 4.740 -0.001 0.000 0.179 734 N C 1.672 177.192 175.510 0.017 0.000 1.032 734 N CA 0.835 53.897 53.050 0.019 0.000 0.898 734 N CB 0.159 38.652 38.487 0.009 0.000 0.971 734 N HN 0.460 nan 8.380 nan 0.000 0.441 735 K N 0.890 121.300 120.400 0.017 0.000 2.159 735 K HA 0.104 4.424 4.320 -0.001 0.000 0.210 735 K C 1.264 177.877 176.600 0.020 0.000 1.026 735 K CA 0.301 56.592 56.287 0.007 0.000 0.959 735 K CB 0.163 32.661 32.500 -0.003 0.000 0.890 735 K HN -0.126 nan 8.250 nan 0.000 0.459 736 N N 0.980 119.706 118.700 0.043 0.000 2.309 736 N HA -0.066 4.674 4.740 -0.001 0.000 0.182 736 N C 1.723 177.345 175.510 0.186 0.000 1.018 736 N CA 0.933 54.032 53.050 0.082 0.000 0.876 736 N CB 0.094 38.634 38.487 0.090 0.000 0.972 736 N HN 0.257 nan 8.380 nan 0.000 0.434 737 L N -0.701 120.617 121.223 0.159 0.000 2.416 737 L HA 0.122 4.462 4.340 -0.001 0.000 0.188 737 L C 2.108 179.080 176.870 0.169 0.000 1.145 737 L CA 0.270 55.231 54.840 0.202 0.000 0.826 737 L CB -0.697 41.421 42.059 0.098 0.000 1.064 737 L HN -0.169 nan 8.230 nan 0.000 0.490 738 V N 0.789 120.757 119.914 0.090 0.000 2.295 738 V HA -0.187 3.933 4.120 -0.001 0.000 0.246 738 V C 2.623 178.746 176.094 0.047 0.000 1.049 738 V CA 2.154 64.491 62.300 0.062 0.000 1.024 738 V CB -1.455 30.389 31.823 0.036 0.000 0.648 738 V HN 0.605 nan 8.190 nan 0.000 0.447 739 G N -0.412 108.405 108.800 0.029 0.000 2.446 739 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 739 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 739 G C 1.845 176.729 174.900 -0.028 0.000 1.168 739 G CA 1.231 46.330 45.100 -0.003 0.000 0.771 739 G HN 0.508 nan 8.290 nan 0.000 0.551 740 S N 1.014 116.686 115.700 -0.046 0.000 2.382 740 S HA -0.013 4.456 4.470 -0.001 0.000 0.228 740 S C 2.748 177.288 174.600 -0.101 0.000 1.027 740 S CA 1.198 59.291 58.200 -0.179 0.000 0.991 740 S CB -0.335 62.605 63.200 -0.434 0.000 0.823 740 S HN 0.605 nan 8.310 nan 0.000 0.469 741 A N 1.784 124.653 122.820 0.081 0.000 1.898 741 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 741 A C 2.076 179.679 177.584 0.031 0.000 1.181 741 A CA 1.327 53.433 52.037 0.114 0.000 0.620 741 A CB -0.489 18.593 19.000 0.136 0.000 0.819 741 A HN 0.359 nan 8.150 nan 0.000 0.442 742 M N -0.275 119.332 119.600 0.013 0.000 2.213 742 M HA -0.052 4.428 4.480 -0.001 0.000 0.263 742 M C 2.242 178.528 176.300 -0.022 0.000 1.062 742 M CA 1.397 56.695 55.300 -0.003 0.000 1.105 742 M CB -1.505 31.092 32.600 -0.005 0.000 1.385 742 M HN 0.469 nan 8.290 nan 0.000 0.417 743 A N -0.562 122.231 122.820 -0.045 0.000 2.208 743 A HA 0.386 4.706 4.320 -0.001 0.000 0.209 743 A C 1.536 179.078 177.584 -0.070 0.000 1.161 743 A CA 0.846 52.845 52.037 -0.063 0.000 0.782 743 A CB -0.820 18.127 19.000 -0.088 0.000 0.816 743 A HN 0.647 nan 8.150 nan 0.000 0.477 744 G N -0.213 108.551 108.800 -0.060 0.000 2.256 744 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.272 744 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.272 744 G C 0.197 175.036 174.900 -0.101 0.000 1.076 744 G CA 0.551 45.618 45.100 -0.054 0.000 0.882 744 G HN 1.043 nan 8.290 nan 0.000 0.497 745 S N -0.549 115.047 115.700 -0.173 0.000 2.562 745 S HA 0.726 5.196 4.470 -0.001 0.000 0.275 745 S C 0.492 174.924 174.600 -0.281 0.000 1.281 745 S CA -0.749 57.271 58.200 -0.300 0.000 1.045 745 S CB 0.389 63.269 63.200 -0.533 0.000 0.962 745 S HN 0.413 nan 8.310 nan 0.000 0.503 746 I N 4.153 124.542 120.570 -0.302 0.000 2.420 746 I HA 0.379 4.548 4.170 -0.001 0.000 0.282 746 I C 1.234 176.984 176.117 -0.612 0.000 1.019 746 I CA 0.118 61.220 61.300 -0.331 0.000 1.130 746 I CB 0.302 38.182 38.000 -0.199 0.000 1.262 746 I HN 1.028 nan 8.210 nan 0.000 0.454 747 G N 4.877 113.030 108.800 -1.079 0.000 2.199 747 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.254 747 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.254 747 G C 0.819 175.304 174.900 -0.691 0.000 0.982 747 G CA 0.033 44.293 45.100 -1.400 0.000 0.632 747 G HN 0.888 nan 8.290 nan 0.000 0.529 748 G N -0.115 108.278 108.800 -0.678 0.000 4.084 748 G HA2 0.482 4.442 3.960 -0.001 0.000 0.293 748 G HA3 0.482 4.442 3.960 -0.001 0.000 0.293 748 G C 0.055 174.600 174.900 -0.591 0.000 1.303 748 G CA -0.450 44.352 45.100 -0.497 0.000 1.289 748 G HN 0.394 nan 8.290 nan 0.000 0.609 749 Y N 1.590 121.797 120.300 -0.154 0.000 2.880 749 Y HA 0.248 4.799 4.550 0.000 0.000 0.386 749 Y C 0.693 176.593 175.900 0.000 0.000 1.172 749 Y CA -0.867 57.200 58.100 -0.054 0.000 1.770 749 Y CB -0.321 38.135 38.460 -0.007 0.000 1.809 749 Y HN 0.583 nan 8.280 nan 0.000 0.472 750 N N -1.943 116.772 118.700 0.025 0.000 2.934 750 N HA 0.637 5.376 4.740 -0.001 0.000 0.253 750 N C 0.062 175.588 175.510 0.026 0.000 1.466 750 N CA -0.495 52.586 53.050 0.052 0.000 0.858 750 N CB 0.736 39.258 38.487 0.057 0.000 1.459 750 N HN -0.044 nan 8.380 nan 0.000 0.532 751 A N -0.302 122.557 122.820 0.064 0.000 1.850 751 A HA 0.066 4.386 4.320 -0.001 0.000 0.212 751 A C 0.803 178.461 177.584 0.124 0.000 1.208 751 A CA 1.638 53.707 52.037 0.054 0.000 0.609 751 A CB -0.970 18.046 19.000 0.027 0.000 0.860 751 A HN 0.988 nan 8.150 nan 0.000 0.448 752 H N -4.909 114.143 119.070 -0.030 0.000 3.407 752 H HA 0.645 5.200 4.556 -0.001 0.000 0.222 752 H C 0.802 176.106 175.328 -0.040 0.000 1.357 752 H CA 0.075 56.101 56.048 -0.038 0.000 1.145 752 H CB -0.195 29.548 29.762 -0.031 0.000 2.622 752 H HN 0.263 nan 8.280 nan 0.000 0.556 753 A N 1.375 124.169 122.820 -0.042 0.000 1.927 753 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 753 A C 2.587 180.077 177.584 -0.156 0.000 1.185 753 A CA 2.140 54.107 52.037 -0.117 0.000 0.639 753 A CB -0.951 18.020 19.000 -0.048 0.000 0.820 753 A HN 0.762 nan 8.150 nan 0.000 0.451 754 A N -0.149 122.604 122.820 -0.112 0.000 1.978 754 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 754 A C 1.953 179.453 177.584 -0.140 0.000 1.170 754 A CA 1.891 53.852 52.037 -0.126 0.000 0.636 754 A CB -0.623 18.326 19.000 -0.085 0.000 0.810 754 A HN 0.569 nan 8.150 nan 0.000 0.448 755 N N -0.173 118.442 118.700 -0.140 0.000 2.106 755 N HA -0.107 4.633 4.740 -0.001 0.000 0.188 755 N C 1.496 176.907 175.510 -0.165 0.000 1.029 755 N CA 1.542 54.515 53.050 -0.127 0.000 0.848 755 N CB -0.394 38.036 38.487 -0.095 0.000 1.007 755 N HN 0.428 nan 8.380 nan 0.000 0.423 756 I N 0.346 120.771 120.570 -0.241 0.000 2.202 756 I HA -0.154 4.015 4.170 -0.001 0.000 0.242 756 I C 2.260 178.282 176.117 -0.158 0.000 1.091 756 I CA 0.548 61.736 61.300 -0.186 0.000 1.368 756 I CB -0.532 37.347 38.000 -0.202 0.000 1.058 756 I HN -0.120 nan 8.210 nan 0.000 0.410 757 V N 0.274 120.055 119.914 -0.222 0.000 2.287 757 V HA -0.333 3.787 4.120 -0.001 0.000 0.248 757 V C 2.472 178.316 176.094 -0.416 0.000 1.053 757 V CA 2.557 64.634 62.300 -0.373 0.000 1.027 757 V CB -1.023 30.515 31.823 -0.476 0.000 0.646 757 V HN 0.479 nan 8.190 nan 0.000 0.447 758 T N 0.203 114.595 114.554 -0.269 0.000 2.746 758 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 758 T C 2.032 176.716 174.700 -0.026 0.000 1.039 758 T CA 1.551 63.565 62.100 -0.143 0.000 1.142 758 T CB -0.435 68.377 68.868 -0.093 0.000 0.866 758 T HN 0.575 nan 8.240 nan 0.000 0.444 759 A N 1.140 123.939 122.820 -0.035 0.000 1.902 759 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 759 A C 2.298 179.908 177.584 0.044 0.000 1.181 759 A CA 1.168 53.207 52.037 0.004 0.000 0.623 759 A CB -0.738 18.254 19.000 -0.014 0.000 0.818 759 A HN 0.518 nan 8.150 nan 0.000 0.443 760 I N -1.910 118.695 120.570 0.057 0.000 2.252 760 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 760 I C 2.352 178.596 176.117 0.212 0.000 1.102 760 I CA 1.075 62.442 61.300 0.112 0.000 1.385 760 I CB -0.414 37.655 38.000 0.116 0.000 1.064 760 I HN 0.318 nan 8.210 nan 0.000 0.414 761 Y N 0.989 121.275 120.300 -0.023 0.000 2.128 761 Y HA -0.215 4.335 4.550 -0.001 0.000 0.284 761 Y C 2.476 178.370 175.900 -0.010 0.000 1.154 761 Y CA 1.135 59.225 58.100 -0.017 0.000 1.149 761 Y CB -0.776 37.675 38.460 -0.014 0.000 0.976 761 Y HN 0.094 nan 8.280 nan 0.000 0.505 762 I N -0.713 119.955 120.570 0.164 0.000 2.226 762 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 762 I C 2.538 178.686 176.117 0.053 0.000 1.100 762 I CA 1.180 62.532 61.300 0.086 0.000 1.374 762 I CB -0.634 37.405 38.000 0.065 0.000 1.057 762 I HN 0.128 nan 8.210 nan 0.000 0.413 763 A N -0.283 122.569 122.820 0.052 0.000 1.902 763 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 763 A C 2.091 179.684 177.584 0.016 0.000 1.181 763 A CA 1.561 53.617 52.037 0.032 0.000 0.623 763 A CB -0.924 18.095 19.000 0.032 0.000 0.818 763 A HN 0.575 nan 8.150 nan 0.000 0.443 764 C N -0.730 118.576 119.300 0.009 0.000 2.693 764 C HA 0.494 4.954 4.460 -0.001 0.000 0.286 764 C C 1.736 176.694 174.990 -0.053 0.000 1.277 764 C CA -0.174 58.829 59.018 -0.025 0.000 1.705 764 C CB -1.236 26.480 27.740 -0.040 0.000 1.879 764 C HN 1.059 nan 8.230 nan 0.000 0.607 765 G N 1.409 110.188 108.800 -0.035 0.000 2.198 765 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.260 765 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.260 765 G C 0.015 174.863 174.900 -0.087 0.000 1.025 765 G CA 0.098 45.172 45.100 -0.043 0.000 0.769 765 G HN 0.525 nan 8.290 nan 0.000 0.507 766 Q N -0.085 119.629 119.800 -0.144 0.000 2.222 766 Q HA 0.366 4.706 4.340 -0.001 0.000 0.211 766 Q C -0.029 175.904 176.000 -0.112 0.000 1.013 766 Q CA -0.615 55.027 55.803 -0.268 0.000 0.993 766 Q CB 0.545 28.824 28.738 -0.765 0.000 1.151 766 Q HN 0.321 nan 8.270 nan 0.000 0.544 767 D N 0.126 120.473 120.400 -0.090 0.000 2.393 767 D HA 0.238 4.877 4.640 -0.001 0.000 0.232 767 D C 0.393 176.789 176.300 0.160 0.000 1.192 767 D CA -0.091 53.927 54.000 0.031 0.000 0.882 767 D CB 0.882 41.697 40.800 0.026 0.000 1.038 767 D HN 0.522 nan 8.370 nan 0.000 0.499 768 A N 3.846 126.762 122.820 0.159 0.000 2.024 768 A HA -0.118 4.201 4.320 -0.001 0.000 0.220 768 A C 2.070 179.728 177.584 0.124 0.000 1.164 768 A CA 1.678 53.829 52.037 0.190 0.000 0.643 768 A CB -0.256 18.812 19.000 0.114 0.000 0.806 768 A HN 0.619 nan 8.150 nan 0.000 0.451 769 A N -0.887 121.989 122.820 0.093 0.000 2.067 769 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 769 A C 1.913 179.541 177.584 0.072 0.000 1.158 769 A CA 1.341 53.416 52.037 0.063 0.000 0.661 769 A CB -0.413 18.616 19.000 0.050 0.000 0.801 769 A HN 0.660 nan 8.150 nan 0.000 0.452 770 Q N -0.657 119.217 119.800 0.124 0.000 2.482 770 Q HA -0.085 4.255 4.340 -0.001 0.000 0.209 770 Q C 1.482 177.543 176.000 0.103 0.000 0.961 770 Q CA 0.502 56.388 55.803 0.138 0.000 0.945 770 Q CB -0.190 28.661 28.738 0.189 0.000 1.012 770 Q HN 0.749 nan 8.270 nan 0.000 0.515 771 N N 0.011 118.726 118.700 0.024 0.000 2.289 771 N HA -0.143 4.597 4.740 -0.001 0.000 0.184 771 N C 1.357 176.831 175.510 -0.061 0.000 1.016 771 N CA 0.824 53.805 53.050 -0.116 0.000 0.872 771 N CB 0.049 38.453 38.487 -0.138 0.000 0.973 771 N HN 0.004 nan 8.380 nan 0.000 0.433 772 V N -0.289 119.615 119.914 -0.016 0.000 2.252 772 V HA -0.205 3.914 4.120 -0.001 0.000 0.249 772 V C 2.243 178.334 176.094 -0.005 0.000 1.056 772 V CA 2.224 64.516 62.300 -0.012 0.000 1.022 772 V CB -1.175 30.651 31.823 0.004 0.000 0.641 772 V HN 0.580 nan 8.190 nan 0.000 0.445 773 G N -1.900 106.913 108.800 0.022 0.000 2.595 773 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.213 773 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.213 773 G C 1.695 176.626 174.900 0.053 0.000 1.141 773 G CA 0.711 45.837 45.100 0.044 0.000 0.806 773 G HN 0.477 nan 8.290 nan 0.000 0.530 774 S N 1.018 116.741 115.700 0.039 0.000 2.442 774 S HA -0.061 4.408 4.470 -0.001 0.000 0.236 774 S C 2.422 177.010 174.600 -0.021 0.000 1.007 774 S CA 1.057 59.277 58.200 0.033 0.000 0.965 774 S CB -0.066 63.165 63.200 0.052 0.000 0.773 774 S HN 0.286 nan 8.310 nan 0.000 0.504 775 S N 1.644 117.313 115.700 -0.052 0.000 2.561 775 S HA 0.114 4.583 4.470 -0.001 0.000 0.225 775 S C 0.454 175.057 174.600 0.006 0.000 0.977 775 S CA -0.134 58.031 58.200 -0.059 0.000 0.926 775 S CB -0.222 62.925 63.200 -0.088 0.000 0.769 775 S HN 0.456 nan 8.310 nan 0.000 0.533 776 N N 1.599 120.337 118.700 0.064 0.000 2.357 776 N HA 0.057 4.797 4.740 -0.001 0.000 0.257 776 N C -0.462 175.200 175.510 0.253 0.000 1.250 776 N CA 0.461 53.608 53.050 0.162 0.000 0.862 776 N CB 0.369 39.065 38.487 0.348 0.000 1.066 776 N HN 0.264 nan 8.380 nan 0.000 0.468 777 C N 3.439 122.906 119.300 0.278 0.000 3.247 777 C HA 0.550 5.010 4.460 -0.001 0.000 0.375 777 C C -1.046 174.147 174.990 0.338 0.000 1.102 777 C CA -0.976 58.216 59.018 0.289 0.000 1.227 777 C CB 0.436 28.253 27.740 0.128 0.000 1.586 777 C HN 0.763 nan 8.230 nan 0.000 0.544 778 I N 4.838 125.630 120.570 0.371 0.000 2.418 778 I HA 0.552 4.721 4.170 -0.001 0.000 0.287 778 I C -0.191 176.037 176.117 0.185 0.000 1.008 778 I CA 0.345 61.847 61.300 0.336 0.000 1.104 778 I CB 1.819 40.056 38.000 0.395 0.000 1.264 778 I HN 0.768 nan 8.210 nan 0.000 0.438 779 T N 8.206 122.851 114.554 0.152 0.000 2.767 779 T HA 0.559 4.909 4.350 -0.001 0.000 0.284 779 T C -0.344 174.407 174.700 0.086 0.000 0.973 779 T CA -0.351 61.805 62.100 0.093 0.000 0.996 779 T CB 0.824 69.738 68.868 0.077 0.000 0.927 779 T HN 0.356 nan 8.240 nan 0.000 0.456 780 L N 3.759 125.021 121.223 0.066 0.000 2.362 780 L HA 0.702 5.041 4.340 -0.001 0.000 0.271 780 L C -0.397 176.514 176.870 0.068 0.000 1.002 780 L CA -0.889 53.999 54.840 0.080 0.000 0.818 780 L CB 1.979 44.103 42.059 0.109 0.000 1.298 780 L HN 0.435 nan 8.230 nan 0.000 0.420 781 M N 2.882 122.535 119.600 0.088 0.000 2.446 781 M HA 0.475 4.954 4.480 -0.001 0.000 0.294 781 M C -1.155 175.225 176.300 0.133 0.000 1.158 781 M CA -0.489 54.867 55.300 0.093 0.000 0.899 781 M CB 3.022 35.651 32.600 0.048 0.000 1.687 781 M HN 0.653 nan 8.290 nan 0.000 0.455 782 E N 1.470 121.783 120.200 0.189 0.000 2.430 782 E HA 0.794 5.143 4.350 -0.001 0.000 0.279 782 E C -1.572 175.103 176.600 0.126 0.000 1.003 782 E CA -1.200 55.282 56.400 0.137 0.000 0.801 782 E CB 1.718 31.484 29.700 0.110 0.000 1.313 782 E HN 0.695 nan 8.360 nan 0.000 0.459 783 A N 1.119 123.981 122.820 0.070 0.000 2.425 783 A HA 0.520 4.840 4.320 -0.001 0.000 0.249 783 A C -0.034 177.579 177.584 0.049 0.000 1.084 783 A CA 0.292 52.362 52.037 0.055 0.000 0.781 783 A CB 0.849 19.868 19.000 0.031 0.000 1.019 783 A HN 0.514 nan 8.150 nan 0.000 0.490 784 S N 0.289 116.022 115.700 0.055 0.000 2.685 784 S HA 0.814 5.284 4.470 -0.001 0.000 0.282 784 S C -0.108 174.511 174.600 0.032 0.000 1.159 784 S CA 0.705 58.930 58.200 0.042 0.000 0.833 784 S CB 1.111 64.365 63.200 0.091 0.000 1.151 784 S HN 2.801 nan 8.310 nan 0.000 0.485 785 G N 2.289 111.102 108.800 0.022 0.000 2.781 785 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.683 785 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.683 785 G C -2.296 172.610 174.900 0.009 0.000 1.390 785 G CA -0.255 44.856 45.100 0.018 0.000 0.850 785 G HN 0.609 nan 8.290 nan 0.000 0.557 786 P HA -0.089 nan 4.420 nan 0.000 0.214 786 P C 2.003 179.306 177.300 0.005 0.000 1.169 786 P CA 2.685 65.787 63.100 0.005 0.000 0.908 786 P CB -0.055 31.648 31.700 0.005 0.000 0.791 787 T N -2.022 112.536 114.554 0.007 0.000 3.118 787 T HA -0.028 4.322 4.350 -0.001 0.000 0.260 787 T C 0.756 175.461 174.700 0.008 0.000 1.139 787 T CA 0.353 62.457 62.100 0.007 0.000 1.085 787 T CB -0.945 67.929 68.868 0.008 0.000 0.934 787 T HN 0.298 nan 8.240 nan 0.000 0.518 788 N N 0.676 119.382 118.700 0.010 0.000 2.776 788 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 788 N C 0.381 175.902 175.510 0.017 0.000 1.111 788 N CA 0.579 53.636 53.050 0.012 0.000 0.711 788 N CB -0.413 38.078 38.487 0.007 0.000 1.065 788 N HN 0.517 nan 8.380 nan 0.000 0.556 789 E N -0.023 120.188 120.200 0.019 0.000 2.562 789 E HA 0.042 4.392 4.350 -0.001 0.000 0.214 789 E C -0.627 175.989 176.600 0.026 0.000 0.979 789 E CA -0.235 56.178 56.400 0.020 0.000 1.002 789 E CB 0.417 30.126 29.700 0.015 0.000 1.048 789 E HN 0.301 nan 8.360 nan 0.000 0.488 790 D N 0.757 121.177 120.400 0.033 0.000 2.348 790 D HA 0.177 4.816 4.640 -0.001 0.000 0.249 790 D C -0.332 176.003 176.300 0.057 0.000 1.110 790 D CA -0.379 53.646 54.000 0.042 0.000 0.967 790 D CB 1.637 42.464 40.800 0.045 0.000 1.139 790 D HN 0.035 nan 8.370 nan 0.000 0.466 791 L N 2.076 123.334 121.223 0.058 0.000 2.280 791 L HA 0.267 4.606 4.340 -0.001 0.000 0.287 791 L C -1.332 175.593 176.870 0.092 0.000 1.023 791 L CA -0.725 54.156 54.840 0.068 0.000 0.819 791 L CB 0.726 42.806 42.059 0.035 0.000 1.212 791 L HN 0.236 nan 8.230 nan 0.000 0.420 792 Y N 6.264 126.571 120.300 0.012 0.000 2.313 792 Y HA 0.614 5.163 4.550 -0.001 0.000 0.332 792 Y C -0.800 175.110 175.900 0.016 0.000 1.071 792 Y CA -0.464 57.644 58.100 0.013 0.000 1.169 792 Y CB 0.969 39.435 38.460 0.010 0.000 1.192 792 Y HN 0.664 nan 8.280 nan 0.000 0.487 793 I N 5.910 126.058 120.570 -0.704 0.000 2.730 793 I HA 0.610 4.780 4.170 -0.001 0.000 0.298 793 I C -1.440 174.284 176.117 -0.654 0.000 1.089 793 I CA -0.430 60.575 61.300 -0.493 0.000 1.041 793 I CB 1.828 39.706 38.000 -0.203 0.000 1.235 793 I HN 0.779 nan 8.210 nan 0.000 0.423 794 S N 5.751 121.248 115.700 -0.338 0.000 2.546 794 S HA 0.681 5.150 4.470 -0.001 0.000 0.274 794 S C -1.403 173.167 174.600 -0.050 0.000 1.121 794 S CA -0.631 57.460 58.200 -0.183 0.000 0.887 794 S CB 1.599 64.765 63.200 -0.057 0.000 1.094 794 S HN 0.695 nan 8.310 nan 0.000 0.474 795 C N 2.203 121.489 119.300 -0.023 0.000 2.396 795 C HA 0.838 5.297 4.460 -0.001 0.000 0.321 795 C C -0.268 174.736 174.990 0.025 0.000 1.233 795 C CA -0.291 58.737 59.018 0.016 0.000 1.440 795 C CB 1.245 28.989 27.740 0.007 0.000 2.110 795 C HN 0.974 nan 8.230 nan 0.000 0.473 796 T N 4.932 119.517 114.554 0.051 0.000 2.809 796 T HA 0.541 4.891 4.350 -0.001 0.000 0.284 796 T C -0.483 174.251 174.700 0.056 0.000 0.992 796 T CA -0.241 61.876 62.100 0.027 0.000 0.957 796 T CB 0.801 69.668 68.868 -0.002 0.000 0.942 796 T HN 0.562 nan 8.240 nan 0.000 0.439 797 M N 4.844 124.464 119.600 0.033 0.000 2.018 797 M HA 0.295 4.775 4.480 -0.001 0.000 0.311 797 M C -2.098 174.212 176.300 0.016 0.000 0.928 797 M CA -2.149 53.189 55.300 0.064 0.000 0.911 797 M CB 2.421 35.053 32.600 0.055 0.000 1.447 797 M HN 0.220 nan 8.290 nan 0.000 0.407 798 P HA 0.006 nan 4.420 nan 0.000 0.241 798 P C 0.162 177.459 177.300 -0.004 0.000 1.191 798 P CA 0.616 63.677 63.100 -0.066 0.000 0.771 798 P CB 0.241 31.820 31.700 -0.203 0.000 0.929 799 S N -1.111 114.621 115.700 0.054 0.000 2.472 799 S HA 0.342 4.812 4.470 -0.001 0.000 0.191 799 S C -0.210 174.436 174.600 0.077 0.000 1.244 799 S CA -0.649 57.589 58.200 0.063 0.000 1.227 799 S CB -1.139 62.112 63.200 0.086 0.000 1.381 799 S HN -0.097 nan 8.310 nan 0.000 0.394 800 I N 2.198 122.811 120.570 0.072 0.000 2.363 800 I HA 0.210 4.379 4.170 -0.001 0.000 0.292 800 I C 0.070 176.251 176.117 0.108 0.000 1.075 800 I CA -0.029 61.335 61.300 0.107 0.000 1.333 800 I CB 0.512 38.567 38.000 0.091 0.000 1.415 800 I HN 0.422 nan 8.210 nan 0.000 0.502 801 E N 7.417 127.708 120.200 0.151 0.000 2.046 801 E HA 0.599 4.948 4.350 -0.001 0.000 0.279 801 E C -0.672 175.951 176.600 0.038 0.000 0.989 801 E CA -0.113 56.345 56.400 0.096 0.000 0.798 801 E CB 1.672 31.436 29.700 0.107 0.000 1.086 801 E HN 0.480 nan 8.360 nan 0.000 0.399 802 I N 1.527 122.076 120.570 -0.034 0.000 3.093 802 I HA 0.718 4.888 4.170 -0.001 0.000 0.308 802 I C -0.847 175.200 176.117 -0.116 0.000 1.303 802 I CA -0.588 60.625 61.300 -0.144 0.000 0.975 802 I CB 2.208 40.141 38.000 -0.112 0.000 1.286 802 I HN 0.582 nan 8.210 nan 0.000 0.459 803 G N 0.570 109.280 108.800 -0.150 0.000 2.646 803 G HA2 0.444 4.404 3.960 -0.001 0.000 0.291 803 G HA3 0.444 4.404 3.960 -0.001 0.000 0.291 803 G C -0.449 174.380 174.900 -0.119 0.000 1.445 803 G CA 0.240 45.270 45.100 -0.116 0.000 0.814 803 G HN 0.601 nan 8.290 nan 0.000 0.495 804 T N -2.709 111.784 114.554 -0.102 0.000 3.084 804 T HA 0.490 4.839 4.350 -0.001 0.000 0.270 804 T C 0.049 174.701 174.700 -0.081 0.000 1.008 804 T CA -0.035 62.012 62.100 -0.088 0.000 0.900 804 T CB 0.380 69.204 68.868 -0.074 0.000 1.084 804 T HN 0.595 nan 8.240 nan 0.000 0.538 805 V N 0.787 120.647 119.914 -0.090 0.000 2.841 805 V HA 0.819 4.938 4.120 -0.001 0.000 0.310 805 V C 0.595 176.646 176.094 -0.071 0.000 1.090 805 V CA 0.057 62.309 62.300 -0.081 0.000 0.930 805 V CB 1.088 32.848 31.823 -0.105 0.000 1.014 805 V HN 0.889 nan 8.190 nan 0.000 0.425 806 G N 2.497 111.266 108.800 -0.052 0.000 2.730 806 G HA2 0.431 4.391 3.960 -0.001 0.000 0.686 806 G HA3 0.431 4.391 3.960 -0.001 0.000 0.686 806 G C 0.532 175.409 174.900 -0.038 0.000 1.343 806 G CA -0.128 44.948 45.100 -0.040 0.000 0.826 806 G HN 2.395 nan 8.290 nan 0.000 0.582 807 G N -0.140 108.645 108.800 -0.025 0.000 2.596 807 G HA2 0.148 4.107 3.960 -0.001 0.000 0.295 807 G HA3 0.148 4.107 3.960 -0.001 0.000 0.295 807 G C 1.989 176.877 174.900 -0.019 0.000 1.240 807 G CA 2.006 47.094 45.100 -0.021 0.000 0.985 807 G HN 2.522 nan 8.290 nan 0.000 0.555 808 G N -0.591 108.196 108.800 -0.022 0.000 2.509 808 G HA2 0.147 4.106 3.960 -0.001 0.000 0.218 808 G HA3 0.147 4.106 3.960 -0.001 0.000 0.218 808 G C 1.874 176.759 174.900 -0.025 0.000 1.124 808 G CA 2.323 47.413 45.100 -0.016 0.000 0.776 808 G HN 1.971 nan 8.290 nan 0.000 0.547 809 T N -1.683 112.846 114.554 -0.041 0.000 3.163 809 T HA 0.008 4.357 4.350 -0.001 0.000 0.260 809 T C 1.826 176.504 174.700 -0.036 0.000 1.156 809 T CA 0.845 62.918 62.100 -0.045 0.000 1.072 809 T CB -0.206 68.626 68.868 -0.060 0.000 0.937 809 T HN 0.111 nan 8.240 nan 0.000 0.528 810 N N 0.814 119.497 118.700 -0.029 0.000 2.446 810 N HA 0.224 4.963 4.740 -0.001 0.000 0.179 810 N C 0.364 175.856 175.510 -0.030 0.000 1.054 810 N CA 0.160 53.194 53.050 -0.026 0.000 0.905 810 N CB -0.134 38.341 38.487 -0.019 0.000 0.973 810 N HN 0.507 nan 8.380 nan 0.000 0.448 811 L N 0.984 122.192 121.223 -0.025 0.000 2.397 811 L HA 0.176 4.516 4.340 -0.001 0.000 0.271 811 L C 1.791 178.633 176.870 -0.047 0.000 1.148 811 L CA -0.393 54.428 54.840 -0.033 0.000 0.825 811 L CB 1.033 43.094 42.059 0.003 0.000 1.117 811 L HN -0.063 nan 8.230 nan 0.000 0.456 812 L N 2.389 123.565 121.223 -0.078 0.000 2.017 812 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 812 L C -0.359 176.478 176.870 -0.055 0.000 1.073 812 L CA 1.541 56.336 54.840 -0.075 0.000 0.745 812 L CB -1.473 40.522 42.059 -0.107 0.000 0.894 812 L HN 0.596 nan 8.230 nan 0.000 0.432 813 P HA -0.178 nan 4.420 nan 0.000 0.216 813 P C 1.405 178.695 177.300 -0.016 0.000 1.153 813 P CA 1.064 64.147 63.100 -0.028 0.000 0.848 813 P CB -0.076 31.618 31.700 -0.011 0.000 0.787 814 Q N -0.098 119.694 119.800 -0.012 0.000 2.167 814 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 814 Q C 1.997 177.985 176.000 -0.019 0.000 0.970 814 Q CA 1.439 57.234 55.803 -0.012 0.000 0.855 814 Q CB -1.257 27.473 28.738 -0.012 0.000 0.911 814 Q HN 0.463 nan 8.270 nan 0.000 0.438 815 Q N 0.579 120.365 119.800 -0.025 0.000 2.167 815 Q HA -0.001 4.339 4.340 -0.001 0.000 0.202 815 Q C 2.130 178.119 176.000 -0.018 0.000 0.970 815 Q CA 1.200 56.988 55.803 -0.025 0.000 0.855 815 Q CB -0.184 28.537 28.738 -0.029 0.000 0.911 815 Q HN 0.493 nan 8.270 nan 0.000 0.438 816 A N 0.434 123.244 122.820 -0.017 0.000 1.877 816 A HA -0.209 4.110 4.320 -0.001 0.000 0.216 816 A C 2.317 179.899 177.584 -0.002 0.000 1.186 816 A CA 1.383 53.413 52.037 -0.011 0.000 0.620 816 A CB -0.962 18.030 19.000 -0.013 0.000 0.822 816 A HN 0.484 nan 8.150 nan 0.000 0.443 817 C N -0.829 118.470 119.300 -0.001 0.000 2.425 817 C HA -0.015 4.445 4.460 -0.001 0.000 0.277 817 C C 2.633 177.627 174.990 0.006 0.000 1.280 817 C CA 0.900 59.922 59.018 0.006 0.000 1.744 817 C CB -1.490 26.253 27.740 0.006 0.000 1.989 817 C HN 0.619 nan 8.230 nan 0.000 0.491 818 L N 0.180 121.400 121.223 -0.005 0.000 2.083 818 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 818 L C 2.771 179.646 176.870 0.008 0.000 1.083 818 L CA 1.510 56.345 54.840 -0.008 0.000 0.752 818 L CB -0.693 41.352 42.059 -0.023 0.000 0.899 818 L HN 0.469 nan 8.230 nan 0.000 0.433 819 Q N -0.757 119.047 119.800 0.007 0.000 2.167 819 Q HA -0.232 4.108 4.340 -0.001 0.000 0.202 819 Q C 2.250 178.268 176.000 0.030 0.000 0.970 819 Q CA 1.372 57.184 55.803 0.015 0.000 0.855 819 Q CB -0.113 28.628 28.738 0.005 0.000 0.911 819 Q HN 0.493 nan 8.270 nan 0.000 0.438 820 M N 0.335 119.953 119.600 0.031 0.000 2.149 820 M HA -0.184 4.295 4.480 -0.001 0.000 0.261 820 M C 1.429 177.778 176.300 0.082 0.000 1.064 820 M CA 1.470 56.797 55.300 0.044 0.000 1.102 820 M CB 0.165 32.789 32.600 0.039 0.000 1.369 820 M HN 0.200 nan 8.290 nan 0.000 0.408 821 L N -0.815 120.463 121.223 0.092 0.000 2.558 821 L HA 0.192 4.532 4.340 -0.001 0.000 0.225 821 L C 1.265 178.247 176.870 0.188 0.000 1.128 821 L CA 0.413 55.352 54.840 0.165 0.000 0.868 821 L CB -0.239 41.863 42.059 0.070 0.000 1.006 821 L HN 0.641 nan 8.230 nan 0.000 0.454 822 G N 0.728 109.592 108.800 0.105 0.000 2.147 822 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 822 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 822 G C 0.564 175.506 174.900 0.069 0.000 1.005 822 G CA 0.378 45.531 45.100 0.088 0.000 0.713 822 G HN 0.363 nan 8.290 nan 0.000 0.515 823 V N -3.269 116.670 119.914 0.041 0.000 3.166 823 V HA 0.498 4.618 4.120 -0.001 0.000 0.332 823 V C 0.642 176.730 176.094 -0.010 0.000 1.434 823 V CA 0.299 62.606 62.300 0.011 0.000 1.121 823 V CB 0.906 32.722 31.823 -0.011 0.000 1.062 823 V HN 0.399 nan 8.190 nan 0.000 0.489 824 Q N 2.099 121.895 119.800 -0.006 0.000 2.311 824 Q HA 0.466 4.805 4.340 -0.001 0.000 0.272 824 Q C 0.766 176.752 176.000 -0.024 0.000 1.012 824 Q CA 1.872 57.663 55.803 -0.018 0.000 0.891 824 Q CB 0.928 29.658 28.738 -0.013 0.000 1.201 824 Q HN 1.175 nan 8.270 nan 0.000 0.391 825 G N 2.674 111.453 108.800 -0.036 0.000 2.698 825 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.233 825 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.233 825 G C -0.606 174.263 174.900 -0.052 0.000 1.352 825 G CA -0.263 44.813 45.100 -0.041 0.000 0.879 825 G HN 1.033 nan 8.290 nan 0.000 0.567 826 A N -1.299 121.488 122.820 -0.054 0.000 2.371 826 A HA 0.530 4.850 4.320 -0.001 0.000 0.257 826 A C 0.760 178.324 177.584 -0.033 0.000 1.089 826 A CA 0.755 52.751 52.037 -0.069 0.000 0.794 826 A CB 0.854 19.812 19.000 -0.070 0.000 1.029 826 A HN 2.259 nan 8.150 nan 0.000 0.488 827 C N 4.042 123.323 119.300 -0.032 0.000 2.203 827 C HA 0.387 4.847 4.460 -0.001 0.000 0.325 827 C C 1.433 176.437 174.990 0.024 0.000 1.156 827 C CA -0.898 58.119 59.018 -0.001 0.000 1.597 827 C CB -0.995 26.745 27.740 -0.000 0.000 2.148 827 C HN 0.894 nan 8.230 nan 0.000 0.472 828 K N 2.302 122.722 120.400 0.034 0.000 2.063 828 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 828 K C 1.398 178.034 176.600 0.060 0.000 1.048 828 K CA 1.727 58.049 56.287 0.057 0.000 0.928 828 K CB -0.077 32.451 32.500 0.047 0.000 0.713 828 K HN 0.734 nan 8.250 nan 0.000 0.442 829 D N 0.379 120.805 120.400 0.043 0.000 2.178 829 D HA -0.101 4.539 4.640 -0.001 0.000 0.202 829 D C 0.390 176.717 176.300 0.045 0.000 0.974 829 D CA 0.918 54.942 54.000 0.040 0.000 0.841 829 D CB 0.012 40.830 40.800 0.030 0.000 0.953 829 D HN 0.080 nan 8.370 nan 0.000 0.478 830 N N -0.047 118.680 118.700 0.045 0.000 2.710 830 N HA 0.173 4.913 4.740 -0.001 0.000 0.244 830 N C -2.947 172.591 175.510 0.046 0.000 1.321 830 N CA -1.600 51.478 53.050 0.047 0.000 0.758 830 N CB 1.163 39.671 38.487 0.034 0.000 1.284 830 N HN -0.287 nan 8.380 nan 0.000 0.530 831 P HA 0.145 nan 4.420 nan 0.000 0.258 831 P C 0.836 178.148 177.300 0.020 0.000 1.172 831 P CA 1.133 64.270 63.100 0.063 0.000 0.762 831 P CB 0.422 32.251 31.700 0.214 0.000 0.764 832 G N 3.215 111.991 108.800 -0.041 0.000 2.232 832 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.226 832 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.226 832 G C 1.183 176.070 174.900 -0.021 0.000 0.996 832 G CA 0.381 45.459 45.100 -0.036 0.000 0.626 832 G HN 0.512 nan 8.290 nan 0.000 0.509 833 E N 1.328 121.524 120.200 -0.008 0.000 2.153 833 E HA -0.037 4.312 4.350 -0.001 0.000 0.194 833 E C 2.171 178.766 176.600 -0.008 0.000 0.988 833 E CA 1.936 58.336 56.400 0.000 0.000 0.811 833 E CB -0.306 29.402 29.700 0.014 0.000 0.746 833 E HN 0.508 nan 8.360 nan 0.000 0.466 834 N N 0.012 118.701 118.700 -0.020 0.000 2.171 834 N HA -0.046 4.694 4.740 -0.001 0.000 0.184 834 N C 1.521 177.006 175.510 -0.041 0.000 1.021 834 N CA 1.562 54.598 53.050 -0.024 0.000 0.854 834 N CB -0.605 37.864 38.487 -0.030 0.000 0.994 834 N HN 0.283 nan 8.380 nan 0.000 0.426 835 A N 1.226 124.015 122.820 -0.052 0.000 1.933 835 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 835 A C 2.217 179.774 177.584 -0.045 0.000 1.175 835 A CA 1.091 53.094 52.037 -0.058 0.000 0.628 835 A CB -0.330 18.631 19.000 -0.064 0.000 0.814 835 A HN 0.217 nan 8.150 nan 0.000 0.444 836 R N -1.218 119.263 120.500 -0.032 0.000 2.092 836 R HA -0.142 4.198 4.340 -0.001 0.000 0.231 836 R C 2.472 178.750 176.300 -0.035 0.000 1.119 836 R CA 1.512 57.597 56.100 -0.024 0.000 0.970 836 R CB -0.238 30.056 30.300 -0.010 0.000 0.864 836 R HN 0.608 nan 8.270 nan 0.000 0.440 837 Q N 1.122 120.900 119.800 -0.037 0.000 2.084 837 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 837 Q C 1.896 177.818 176.000 -0.130 0.000 0.978 837 Q CA 1.372 57.138 55.803 -0.062 0.000 0.844 837 Q CB -0.296 28.428 28.738 -0.023 0.000 0.898 837 Q HN 0.222 nan 8.270 nan 0.000 0.426 838 L N 0.104 121.264 121.223 -0.105 0.000 2.083 838 L HA -0.021 4.319 4.340 -0.001 0.000 0.209 838 L C 2.060 178.874 176.870 -0.092 0.000 1.083 838 L CA 2.176 56.946 54.840 -0.118 0.000 0.752 838 L CB -1.059 40.946 42.059 -0.089 0.000 0.899 838 L HN 0.260 nan 8.230 nan 0.000 0.433 839 A N -0.502 122.283 122.820 -0.060 0.000 1.933 839 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 839 A C 2.386 179.942 177.584 -0.046 0.000 1.175 839 A CA 1.566 53.587 52.037 -0.027 0.000 0.628 839 A CB -0.495 18.498 19.000 -0.011 0.000 0.814 839 A HN 0.494 nan 8.150 nan 0.000 0.444 840 R N -0.594 119.862 120.500 -0.074 0.000 2.092 840 R HA -0.024 4.316 4.340 -0.001 0.000 0.231 840 R C 1.975 178.197 176.300 -0.131 0.000 1.119 840 R CA 1.470 57.522 56.100 -0.081 0.000 0.970 840 R CB -0.520 29.737 30.300 -0.071 0.000 0.864 840 R HN 0.573 nan 8.270 nan 0.000 0.440 841 I N 0.361 120.796 120.570 -0.225 0.000 2.226 841 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 841 I C 2.367 178.399 176.117 -0.143 0.000 1.100 841 I CA 1.050 62.172 61.300 -0.296 0.000 1.374 841 I CB -0.261 37.468 38.000 -0.453 0.000 1.057 841 I HN -0.063 nan 8.210 nan 0.000 0.413 842 V N 0.077 119.940 119.914 -0.084 0.000 2.295 842 V HA -0.371 3.749 4.120 -0.001 0.000 0.246 842 V C 2.603 178.675 176.094 -0.037 0.000 1.049 842 V CA 2.085 64.368 62.300 -0.029 0.000 1.024 842 V CB -0.496 31.352 31.823 0.043 0.000 0.648 842 V HN 0.648 nan 8.190 nan 0.000 0.447 843 C N 0.712 119.992 119.300 -0.033 0.000 2.429 843 C HA -0.080 4.380 4.460 -0.001 0.000 0.277 843 C C 2.931 177.903 174.990 -0.031 0.000 1.262 843 C CA 0.995 59.998 59.018 -0.025 0.000 1.733 843 C CB -1.543 26.186 27.740 -0.017 0.000 2.010 843 C HN 0.663 nan 8.230 nan 0.000 0.483 844 G N -0.717 108.059 108.800 -0.040 0.000 2.408 844 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.217 844 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.217 844 G C 1.758 176.643 174.900 -0.024 0.000 1.150 844 G CA 1.546 46.629 45.100 -0.028 0.000 0.776 844 G HN 0.550 nan 8.290 nan 0.000 0.542 845 T N 0.750 115.283 114.554 -0.035 0.000 2.857 845 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 845 T C 2.508 177.180 174.700 -0.046 0.000 1.048 845 T CA 0.884 62.965 62.100 -0.032 0.000 1.139 845 T CB -0.125 68.721 68.868 -0.036 0.000 0.874 845 T HN 0.048 nan 8.240 nan 0.000 0.455 846 V N 1.761 121.641 119.914 -0.057 0.000 2.287 846 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 846 V C 2.466 178.536 176.094 -0.039 0.000 1.053 846 V CA 1.882 64.138 62.300 -0.073 0.000 1.027 846 V CB -0.554 31.233 31.823 -0.059 0.000 0.646 846 V HN 0.477 nan 8.190 nan 0.000 0.447 847 M N -0.312 119.274 119.600 -0.023 0.000 2.149 847 M HA -0.183 4.297 4.480 -0.001 0.000 0.261 847 M C 2.108 178.407 176.300 -0.001 0.000 1.064 847 M CA 2.184 57.476 55.300 -0.014 0.000 1.102 847 M CB -0.272 32.312 32.600 -0.027 0.000 1.369 847 M HN 0.360 nan 8.290 nan 0.000 0.408 848 A N -0.066 122.753 122.820 -0.001 0.000 1.902 848 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 848 A C 2.265 179.871 177.584 0.037 0.000 1.181 848 A CA 1.791 53.837 52.037 0.014 0.000 0.623 848 A CB -1.640 17.368 19.000 0.013 0.000 0.818 848 A HN 0.620 nan 8.150 nan 0.000 0.443 849 G N -0.541 108.274 108.800 0.026 0.000 2.418 849 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.217 849 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.217 849 G C 1.407 176.465 174.900 0.264 0.000 1.158 849 G CA 0.964 46.119 45.100 0.091 0.000 0.771 849 G HN 0.482 nan 8.290 nan 0.000 0.545 850 E N 0.416 120.706 120.200 0.150 0.000 2.051 850 E HA -0.046 4.304 4.350 -0.001 0.000 0.192 850 E C 2.659 179.311 176.600 0.087 0.000 0.991 850 E CA 0.337 56.828 56.400 0.152 0.000 0.799 850 E CB -0.450 29.299 29.700 0.082 0.000 0.748 850 E HN 0.386 nan 8.360 nan 0.000 0.449 851 L N 0.657 121.913 121.223 0.055 0.000 1.990 851 L HA -0.227 4.112 4.340 -0.001 0.000 0.213 851 L C 2.724 179.616 176.870 0.036 0.000 1.072 851 L CA 1.460 56.319 54.840 0.031 0.000 0.755 851 L CB -0.425 41.645 42.059 0.019 0.000 0.889 851 L HN 0.143 nan 8.230 nan 0.000 0.432 852 S N -0.379 115.354 115.700 0.055 0.000 2.368 852 S HA -0.181 4.289 4.470 -0.001 0.000 0.224 852 S C 1.827 176.442 174.600 0.024 0.000 1.029 852 S CA 1.281 59.510 58.200 0.049 0.000 0.988 852 S CB -0.179 63.060 63.200 0.064 0.000 0.838 852 S HN 0.295 nan 8.310 nan 0.000 0.462 853 L N 1.528 122.753 121.223 0.004 0.000 2.056 853 L HA 0.085 4.425 4.340 -0.001 0.000 0.207 853 L C 2.161 178.983 176.870 -0.080 0.000 1.078 853 L CA 1.801 56.569 54.840 -0.119 0.000 0.749 853 L CB -0.709 41.096 42.059 -0.425 0.000 0.901 853 L HN 0.276 nan 8.230 nan 0.000 0.433 854 M N -0.460 119.116 119.600 -0.039 0.000 2.159 854 M HA -0.116 4.363 4.480 -0.001 0.000 0.263 854 M C 2.408 178.693 176.300 -0.026 0.000 1.063 854 M CA 1.706 56.989 55.300 -0.028 0.000 1.110 854 M CB -1.750 30.847 32.600 -0.005 0.000 1.374 854 M HN 0.442 nan 8.290 nan 0.000 0.411 855 A N 0.190 123.003 122.820 -0.012 0.000 1.898 855 A HA 0.030 4.349 4.320 -0.001 0.000 0.216 855 A C 2.455 180.024 177.584 -0.025 0.000 1.181 855 A CA 2.045 54.076 52.037 -0.010 0.000 0.620 855 A CB -0.901 18.107 19.000 0.014 0.000 0.819 855 A HN 0.465 nan 8.150 nan 0.000 0.442 856 A N -0.252 122.564 122.820 -0.007 0.000 1.902 856 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 856 A C 2.177 179.729 177.584 -0.052 0.000 1.181 856 A CA 1.524 53.563 52.037 0.003 0.000 0.623 856 A CB -0.618 18.397 19.000 0.025 0.000 0.818 856 A HN 0.469 nan 8.150 nan 0.000 0.443 857 L N -0.896 120.294 121.223 -0.056 0.000 2.046 857 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 857 L C 3.092 179.920 176.870 -0.070 0.000 1.077 857 L CA 1.037 55.841 54.840 -0.060 0.000 0.747 857 L CB -0.487 41.537 42.059 -0.057 0.000 0.896 857 L HN 0.450 nan 8.230 nan 0.000 0.432 858 A N -0.189 122.589 122.820 -0.070 0.000 1.898 858 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 858 A C 2.343 179.859 177.584 -0.113 0.000 1.181 858 A CA 1.643 53.637 52.037 -0.071 0.000 0.620 858 A CB -0.559 18.410 19.000 -0.052 0.000 0.819 858 A HN 0.387 nan 8.150 nan 0.000 0.442 859 A N -1.887 120.823 122.820 -0.184 0.000 2.218 859 A HA 0.429 4.749 4.320 -0.001 0.000 0.209 859 A C 1.627 178.964 177.584 -0.411 0.000 1.168 859 A CA 1.117 52.957 52.037 -0.327 0.000 0.804 859 A CB -0.802 17.907 19.000 -0.486 0.000 0.834 859 A HN 1.937 nan 8.150 nan 0.000 0.482 860 G N -0.478 108.168 108.800 -0.257 0.000 2.248 860 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.263 860 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.263 860 G C -0.112 174.750 174.900 -0.064 0.000 1.082 860 G CA 0.495 45.510 45.100 -0.143 0.000 0.863 860 G HN 0.814 nan 8.290 nan 0.000 0.495 861 H N 0.000 119.060 119.070 -0.017 0.000 2.539 861 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 861 H CA 0.000 56.038 56.048 -0.016 0.000 1.023 861 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 861 H HN 0.000 nan 8.280 nan 0.000 0.496