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 2oz8_1_A DATA FIRST_RESID 1 DATA SEQUENCE LSLSHFRITR FQFARDRVIG DSQVRADDVN VAALELVSES GEVGLGFIQT DATA SEQUENCE LFNPLPDQQE IESVFEHEVW PSLKGNRAIA LVHRVNRPRX XXXXXYSLPF DATA SEQUENCE HEAVQVALWD LAAKEAGLPL HVLLGSRRNR VKAYASGLDF HLDDDAFVSL DATA SEQUENCE FSHAASIGYS AFKIKVGHRD FDRDLRRLEL LKTCVPAGSK VMIDPNEAWT DATA SEQUENCE SKEALTKLVA IREAGHDLLW VEDPILRHDH DGLRTLRHAV TWTQINSGEY DATA SEQUENCE LDLQGKRLLL EAHAADILNV HGQVTDVMRI GWLAAELGIP ISIGNTFLEA DATA SEQUENCE GVHMAVALPE VEWLEYSFQN FDHLVEQPIE IRDGYAYAPD RPGHGLVLSE DATA SEQUENCE KARGEWSRPR RLARSELGAA PENPRLP 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.866 176.870 -0.006 0.000 1.165 1 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 1 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 2 S N 0.477 116.176 115.700 -0.001 0.000 2.652 2 S HA 0.652 5.123 4.470 0.001 0.000 0.270 2 S C 0.187 174.803 174.600 0.026 0.000 1.243 2 S CA -0.496 57.700 58.200 -0.006 0.000 0.999 2 S CB 1.193 64.382 63.200 -0.018 0.000 0.973 2 S HN 0.127 nan 8.310 nan 0.000 0.544 3 L N 2.405 123.643 121.223 0.024 0.000 2.462 3 L HA 0.103 4.444 4.340 0.001 0.000 0.272 3 L C 1.151 178.143 176.870 0.204 0.000 1.166 3 L CA -0.057 54.851 54.840 0.114 0.000 0.880 3 L CB 0.715 42.839 42.059 0.107 0.000 1.142 3 L HN 0.851 nan 8.230 nan 0.000 0.473 4 S N 0.849 116.736 115.700 0.312 0.000 2.641 4 S HA 0.157 4.627 4.470 0.001 0.000 0.239 4 S C 0.192 175.148 174.600 0.593 0.000 1.081 4 S CA -0.315 58.119 58.200 0.390 0.000 0.904 4 S CB 0.293 63.666 63.200 0.289 0.000 0.803 4 S HN 0.762 nan 8.310 nan 0.000 0.510 5 H N 0.217 119.436 119.070 0.248 0.000 3.008 5 H HA 0.651 5.207 4.556 0.001 0.000 0.354 5 H C -1.479 173.698 175.328 -0.252 0.000 1.252 5 H CA -1.368 54.630 56.048 -0.083 0.000 1.117 5 H CB 0.917 30.580 29.762 -0.165 0.000 1.857 5 H HN 0.315 nan 8.280 nan 0.000 0.547 6 F N 0.394 119.961 119.950 -0.639 0.000 2.579 6 F HA 0.806 5.333 4.527 0.001 0.000 0.324 6 F C -0.821 174.742 175.800 -0.395 0.000 1.058 6 F CA -1.189 56.455 58.000 -0.593 0.000 0.944 6 F CB 2.010 40.560 39.000 -0.750 0.000 1.245 6 F HN 0.661 nan 8.300 nan 0.000 0.477 7 R N 3.437 123.839 120.500 -0.163 0.000 2.574 7 R HA 0.588 4.928 4.340 0.001 0.000 0.288 7 R C -1.954 174.295 176.300 -0.085 0.000 1.004 7 R CA -0.737 55.253 56.100 -0.184 0.000 0.895 7 R CB 1.674 31.882 30.300 -0.152 0.000 1.191 7 R HN 0.772 nan 8.270 nan 0.000 0.444 8 I N 3.619 124.148 120.570 -0.068 0.000 2.389 8 I HA 0.284 4.454 4.170 0.001 0.000 0.288 8 I C -0.372 175.690 176.117 -0.091 0.000 0.999 8 I CA -0.518 60.739 61.300 -0.071 0.000 1.129 8 I CB 1.845 39.830 38.000 -0.025 0.000 1.288 8 I HN 0.556 nan 8.210 nan 0.000 0.444 9 T N 6.265 120.757 114.554 -0.103 0.000 2.791 9 T HA 0.358 4.709 4.350 0.001 0.000 0.288 9 T C 0.175 174.668 174.700 -0.344 0.000 0.999 9 T CA -0.606 61.366 62.100 -0.214 0.000 0.952 9 T CB 1.535 70.293 68.868 -0.184 0.000 0.938 9 T HN 0.442 nan 8.240 nan 0.000 0.444 10 R N 2.919 123.199 120.500 -0.366 0.000 2.308 10 R HA 0.523 4.864 4.340 0.001 0.000 0.305 10 R C -1.285 174.729 176.300 -0.477 0.000 1.053 10 R CA -0.318 55.620 56.100 -0.269 0.000 0.957 10 R CB 0.385 30.617 30.300 -0.112 0.000 1.022 10 R HN 0.452 nan 8.270 nan 0.000 0.461 11 F N 1.679 121.716 119.950 0.145 0.000 2.546 11 F HA 0.348 4.875 4.527 0.001 0.000 0.320 11 F C 0.009 175.957 175.800 0.247 0.000 1.076 11 F CA -0.619 57.542 58.000 0.268 0.000 0.928 11 F CB 2.051 41.270 39.000 0.365 0.000 1.189 11 F HN 0.377 nan 8.300 nan 0.000 0.465 12 Q N 4.191 124.302 119.800 0.518 0.000 2.444 12 Q HA 0.436 4.776 4.340 0.001 0.000 0.239 12 Q C -2.105 174.148 176.000 0.422 0.000 0.853 12 Q CA -0.412 55.565 55.803 0.290 0.000 0.856 12 Q CB 1.489 30.331 28.738 0.174 0.000 1.413 12 Q HN 0.678 nan 8.270 nan 0.000 0.437 13 F N 0.682 120.740 119.950 0.180 0.000 2.626 13 F HA 0.933 5.460 4.527 0.001 0.000 0.311 13 F C -0.664 175.200 175.800 0.107 0.000 1.088 13 F CA -1.263 56.834 58.000 0.161 0.000 0.949 13 F CB 0.819 39.875 39.000 0.094 0.000 1.322 13 F HN 0.383 nan 8.300 nan 0.000 0.461 14 A N 2.308 125.304 122.820 0.293 0.000 2.407 14 A HA 0.553 4.874 4.320 0.001 0.000 0.248 14 A C 0.157 177.851 177.584 0.183 0.000 1.082 14 A CA -0.566 51.569 52.037 0.164 0.000 0.785 14 A CB 0.243 19.334 19.000 0.152 0.000 1.020 14 A HN 0.881 nan 8.150 nan 0.000 0.489 15 R N 0.343 120.893 120.500 0.083 0.000 2.543 15 R HA 0.192 4.532 4.340 0.001 0.000 0.268 15 R C 0.434 176.764 176.300 0.051 0.000 1.067 15 R CA -0.050 56.092 56.100 0.070 0.000 1.142 15 R CB 0.522 30.830 30.300 0.013 0.000 1.110 15 R HN 0.894 nan 8.270 nan 0.000 0.549 16 D N 1.069 121.481 120.400 0.020 0.000 2.347 16 D HA -0.088 4.552 4.640 0.001 0.000 0.215 16 D C 0.208 176.500 176.300 -0.013 0.000 0.976 16 D CA 0.716 54.714 54.000 -0.003 0.000 0.884 16 D CB 0.248 41.032 40.800 -0.027 0.000 0.915 16 D HN 0.494 nan 8.370 nan 0.000 0.526 17 R N -1.198 119.294 120.500 -0.014 0.000 2.734 17 R HA 0.515 4.855 4.340 0.001 0.000 0.271 17 R C -1.454 174.852 176.300 0.011 0.000 1.021 17 R CA -0.979 55.117 56.100 -0.007 0.000 0.893 17 R CB 1.045 31.328 30.300 -0.028 0.000 1.244 17 R HN -0.195 nan 8.270 nan 0.000 0.464 18 V N 2.953 122.888 119.914 0.035 0.000 2.572 18 V HA 0.217 4.337 4.120 0.001 0.000 0.291 18 V C 0.778 176.927 176.094 0.092 0.000 1.039 18 V CA -0.189 62.147 62.300 0.059 0.000 1.055 18 V CB 0.519 32.386 31.823 0.074 0.000 0.969 18 V HN 0.656 nan 8.190 nan 0.000 0.482 19 I N 2.065 122.691 120.570 0.093 0.000 2.750 19 I HA 1.082 5.253 4.170 0.001 0.000 0.308 19 I C 0.315 176.566 176.117 0.222 0.000 1.016 19 I CA -0.227 61.145 61.300 0.120 0.000 1.098 19 I CB 2.133 40.162 38.000 0.048 0.000 1.279 19 I HN 0.769 nan 8.210 nan 0.000 0.454 20 G N 3.232 112.180 108.800 0.246 0.000 2.344 20 G HA2 0.404 4.365 3.960 0.001 0.000 0.282 20 G HA3 0.404 4.365 3.960 0.001 0.000 0.282 20 G C -2.206 172.794 174.900 0.167 0.000 1.281 20 G CA 0.001 45.264 45.100 0.273 0.000 0.877 20 G HN 1.079 nan 8.290 nan 0.000 0.494 21 D N -2.920 117.493 120.400 0.021 0.000 2.921 21 D HA 0.512 5.153 4.640 0.001 0.000 0.329 21 D C 1.325 177.128 176.300 -0.827 0.000 1.293 21 D CA 0.625 54.462 54.000 -0.272 0.000 0.964 21 D CB 0.383 41.110 40.800 -0.123 0.000 1.435 21 D HN 1.016 nan 8.370 nan 0.000 0.548 22 S N -1.473 113.574 115.700 -1.088 0.000 2.500 22 S HA -0.160 4.311 4.470 0.001 0.000 0.239 22 S C 0.870 175.108 174.600 -0.603 0.000 0.989 22 S CA 0.931 58.324 58.200 -1.345 0.000 0.951 22 S CB -0.402 62.286 63.200 -0.854 0.000 0.759 22 S HN 0.445 nan 8.310 nan 0.000 0.523 23 Q N -0.328 119.265 119.800 -0.344 0.000 2.280 23 Q HA 0.481 4.821 4.340 0.001 0.000 0.244 23 Q C -0.193 175.769 176.000 -0.063 0.000 0.847 23 Q CA 0.183 55.881 55.803 -0.175 0.000 0.945 23 Q CB 1.197 29.836 28.738 -0.165 0.000 1.115 23 Q HN 0.453 nan 8.270 nan 0.000 0.513 24 V N 0.712 120.638 119.914 0.019 0.000 2.971 24 V HA 0.516 4.637 4.120 0.001 0.000 0.309 24 V C -1.119 175.112 176.094 0.229 0.000 1.130 24 V CA -0.865 61.505 62.300 0.117 0.000 0.964 24 V CB 3.336 35.260 31.823 0.168 0.000 1.029 24 V HN 0.021 nan 8.190 nan 0.000 0.427 25 R N 2.109 122.688 120.500 0.133 0.000 2.673 25 R HA 0.873 5.214 4.340 0.001 0.000 0.281 25 R C -1.307 175.019 176.300 0.044 0.000 0.991 25 R CA -0.278 55.836 56.100 0.024 0.000 0.896 25 R CB 2.082 32.194 30.300 -0.314 0.000 1.201 25 R HN 0.950 nan 8.270 nan 0.000 0.457 26 A N 2.748 125.597 122.820 0.049 0.000 2.465 26 A HA 0.275 4.595 4.320 0.001 0.000 0.292 26 A C -1.155 176.442 177.584 0.021 0.000 1.041 26 A CA -0.715 51.343 52.037 0.035 0.000 0.718 26 A CB 1.405 20.432 19.000 0.044 0.000 1.266 26 A HN 0.865 nan 8.150 nan 0.000 0.403 27 D N 0.618 121.023 120.400 0.008 0.000 2.431 27 D HA 0.223 4.864 4.640 0.001 0.000 0.213 27 D C -0.212 176.089 176.300 0.001 0.000 1.130 27 D CA 0.283 54.288 54.000 0.009 0.000 0.834 27 D CB 0.370 41.178 40.800 0.012 0.000 0.985 27 D HN 0.475 nan 8.370 nan 0.000 0.504 28 D N -0.937 119.450 120.400 -0.023 0.000 2.566 28 D HA 0.527 5.167 4.640 0.001 0.000 0.254 28 D C -0.815 175.392 176.300 -0.155 0.000 1.090 28 D CA -1.170 52.786 54.000 -0.074 0.000 1.034 28 D CB 1.679 42.456 40.800 -0.039 0.000 1.434 28 D HN -0.156 nan 8.370 nan 0.000 0.509 29 V N 0.588 120.288 119.914 -0.356 0.000 2.588 29 V HA 0.478 4.599 4.120 0.001 0.000 0.304 29 V C -0.731 175.132 176.094 -0.384 0.000 1.042 29 V CA -0.858 61.170 62.300 -0.453 0.000 0.877 29 V CB 1.611 32.855 31.823 -0.965 0.000 0.996 29 V HN 0.552 nan 8.190 nan 0.000 0.425 30 N N 2.691 121.272 118.700 -0.198 0.000 2.483 30 N HA 0.666 5.407 4.740 0.001 0.000 0.267 30 N C -1.605 173.853 175.510 -0.086 0.000 0.998 30 N CA -0.048 52.944 53.050 -0.097 0.000 0.918 30 N CB 2.449 40.898 38.487 -0.064 0.000 1.215 30 N HN 0.484 nan 8.380 nan 0.000 0.500 31 V N 1.223 121.130 119.914 -0.012 0.000 2.924 31 V HA 0.784 4.904 4.120 0.001 0.000 0.300 31 V C -1.539 174.641 176.094 0.143 0.000 1.227 31 V CA -0.531 61.735 62.300 -0.058 0.000 0.954 31 V CB 1.942 33.555 31.823 -0.350 0.000 1.055 31 V HN 0.669 nan 8.190 nan 0.000 0.429 32 A N 4.838 127.709 122.820 0.085 0.000 2.371 32 A HA 0.985 5.305 4.320 0.001 0.000 0.311 32 A C -0.118 177.527 177.584 0.102 0.000 1.068 32 A CA -0.097 52.016 52.037 0.128 0.000 0.744 32 A CB 1.735 20.754 19.000 0.032 0.000 1.239 32 A HN 2.043 nan 8.150 nan 0.000 0.435 33 A N 1.384 124.295 122.820 0.151 0.000 2.363 33 A HA 0.583 4.903 4.320 0.001 0.000 0.270 33 A C -0.504 176.983 177.584 -0.162 0.000 1.121 33 A CA -0.240 51.754 52.037 -0.072 0.000 0.800 33 A CB 0.187 19.235 19.000 0.079 0.000 1.052 33 A HN 1.640 nan 8.150 nan 0.000 0.493 34 L N 2.096 123.149 121.223 -0.283 0.000 2.305 34 L HA 0.566 4.907 4.340 0.001 0.000 0.284 34 L C -0.421 176.298 176.870 -0.252 0.000 1.013 34 L CA 0.124 54.786 54.840 -0.296 0.000 0.819 34 L CB 1.336 43.190 42.059 -0.342 0.000 1.227 34 L HN 0.747 nan 8.230 nan 0.000 0.417 35 E N 5.614 125.694 120.200 -0.201 0.000 2.176 35 E HA 0.499 4.849 4.350 0.001 0.000 0.267 35 E C -1.350 175.164 176.600 -0.142 0.000 0.893 35 E CA -0.521 55.786 56.400 -0.155 0.000 0.761 35 E CB 1.915 31.536 29.700 -0.131 0.000 1.133 35 E HN 0.578 nan 8.360 nan 0.000 0.409 36 L N 3.522 124.686 121.223 -0.098 0.000 2.298 36 L HA 0.450 4.791 4.340 0.001 0.000 0.284 36 L C -0.745 176.080 176.870 -0.075 0.000 1.013 36 L CA -1.021 53.800 54.840 -0.032 0.000 0.824 36 L CB 1.358 43.457 42.059 0.068 0.000 1.221 36 L HN 0.240 nan 8.230 nan 0.000 0.418 37 V N 1.933 121.753 119.914 -0.156 0.000 2.394 37 V HA 0.407 4.527 4.120 0.001 0.000 0.282 37 V C 0.465 176.531 176.094 -0.046 0.000 1.031 37 V CA -0.468 61.712 62.300 -0.200 0.000 0.881 37 V CB 1.498 32.975 31.823 -0.577 0.000 0.982 37 V HN 0.900 nan 8.190 nan 0.000 0.451 38 S N 3.052 118.749 115.700 -0.006 0.000 2.738 38 S HA 0.328 4.798 4.470 0.001 0.000 0.284 38 S C 0.845 175.476 174.600 0.052 0.000 1.146 38 S CA -0.190 58.032 58.200 0.036 0.000 0.997 38 S CB 1.192 64.400 63.200 0.014 0.000 1.081 38 S HN 0.843 nan 8.310 nan 0.000 0.553 39 E N 0.249 120.483 120.200 0.055 0.000 2.481 39 E HA -0.033 4.317 4.350 0.001 0.000 0.195 39 E C 1.418 178.038 176.600 0.033 0.000 1.047 39 E CA 0.821 57.254 56.400 0.055 0.000 0.867 39 E CB -0.362 29.369 29.700 0.053 0.000 0.858 39 E HN 0.675 nan 8.360 nan 0.000 0.513 40 S N 0.136 115.848 115.700 0.020 0.000 2.561 40 S HA 0.180 4.651 4.470 0.001 0.000 0.225 40 S C 1.719 176.328 174.600 0.014 0.000 0.977 40 S CA 0.382 58.590 58.200 0.012 0.000 0.926 40 S CB 0.009 63.210 63.200 0.003 0.000 0.769 40 S HN 0.540 nan 8.310 nan 0.000 0.533 41 G N 0.493 109.306 108.800 0.021 0.000 2.217 41 G HA2 -0.211 3.749 3.960 0.001 0.000 0.246 41 G HA3 -0.211 3.749 3.960 0.001 0.000 0.246 41 G C -0.137 174.765 174.900 0.003 0.000 0.990 41 G CA 0.046 45.159 45.100 0.021 0.000 0.627 41 G HN 0.518 nan 8.290 nan 0.000 0.522 42 E N 0.229 120.425 120.200 -0.007 0.000 2.383 42 E HA 0.476 4.826 4.350 0.001 0.000 0.264 42 E C 0.048 176.626 176.600 -0.037 0.000 1.050 42 E CA -0.050 56.338 56.400 -0.021 0.000 0.896 42 E CB 2.018 31.703 29.700 -0.024 0.000 0.982 42 E HN 0.243 nan 8.360 nan 0.000 0.424 43 V N 1.269 121.155 119.914 -0.047 0.000 2.604 43 V HA 0.517 4.638 4.120 0.001 0.000 0.305 43 V C 0.397 176.447 176.094 -0.073 0.000 1.043 43 V CA -0.861 61.400 62.300 -0.064 0.000 0.888 43 V CB 2.098 33.884 31.823 -0.061 0.000 0.995 43 V HN 0.720 nan 8.190 nan 0.000 0.429 44 G N 3.122 111.877 108.800 -0.075 0.000 2.356 44 G HA2 0.643 4.603 3.960 0.001 0.000 0.322 44 G HA3 0.643 4.603 3.960 0.001 0.000 0.322 44 G C -1.396 173.459 174.900 -0.075 0.000 1.125 44 G CA -0.441 44.607 45.100 -0.086 0.000 0.885 44 G HN 0.611 nan 8.290 nan 0.000 0.467 45 L N 2.267 123.460 121.223 -0.049 0.000 2.346 45 L HA 0.931 5.272 4.340 0.001 0.000 0.276 45 L C 0.252 177.098 176.870 -0.041 0.000 1.006 45 L CA -0.175 54.621 54.840 -0.073 0.000 0.817 45 L CB 1.904 43.944 42.059 -0.031 0.000 1.272 45 L HN 0.760 nan 8.230 nan 0.000 0.421 46 G N 2.625 111.249 108.800 -0.293 0.000 2.727 46 G HA2 0.625 4.586 3.960 0.001 0.000 0.289 46 G HA3 0.625 4.586 3.960 0.001 0.000 0.289 46 G C -1.972 172.520 174.900 -0.679 0.000 1.418 46 G CA -0.544 44.347 45.100 -0.349 0.000 0.818 46 G HN 0.337 nan 8.290 nan 0.000 0.486 47 F N -0.142 119.766 119.950 -0.070 0.000 2.493 47 F HA 0.556 5.083 4.527 0.001 0.000 0.329 47 F C 0.155 175.846 175.800 -0.182 0.000 1.126 47 F CA -0.665 57.196 58.000 -0.232 0.000 0.937 47 F CB 2.288 40.966 39.000 -0.537 0.000 1.146 47 F HN 0.101 nan 8.300 nan 0.000 0.442 48 I N 3.368 123.933 120.570 -0.009 0.000 2.307 48 I HA 0.265 4.436 4.170 0.001 0.000 0.287 48 I C -0.419 175.649 176.117 -0.082 0.000 1.054 48 I CA -0.281 61.015 61.300 -0.007 0.000 1.218 48 I CB 1.002 39.028 38.000 0.043 0.000 1.398 48 I HN 0.574 nan 8.210 nan 0.000 0.475 49 Q N 5.378 125.119 119.800 -0.098 0.000 2.293 49 Q HA 0.481 4.822 4.340 0.001 0.000 0.261 49 Q C -0.602 175.327 176.000 -0.119 0.000 0.960 49 Q CA -0.692 55.032 55.803 -0.132 0.000 0.882 49 Q CB 1.827 30.496 28.738 -0.115 0.000 1.275 49 Q HN 0.693 nan 8.270 nan 0.000 0.445 50 T N 0.910 115.386 114.554 -0.129 0.000 2.859 50 T HA 0.443 4.794 4.350 0.001 0.000 0.281 50 T C 0.750 175.316 174.700 -0.224 0.000 1.005 50 T CA -0.768 61.234 62.100 -0.164 0.000 1.025 50 T CB 0.917 69.717 68.868 -0.114 0.000 0.977 50 T HN 0.669 nan 8.240 nan 0.000 0.458 51 L N 0.500 121.464 121.223 -0.432 0.000 2.425 51 L HA 0.284 4.624 4.340 0.001 0.000 0.215 51 L C 1.308 177.860 176.870 -0.530 0.000 1.065 51 L CA 0.343 54.825 54.840 -0.597 0.000 0.842 51 L CB -0.114 41.398 42.059 -0.912 0.000 1.033 51 L HN 0.606 nan 8.230 nan 0.000 0.474 52 F N -1.459 118.493 119.950 0.004 0.000 2.592 52 F HA 0.235 4.763 4.527 0.001 0.000 0.280 52 F C 0.717 176.514 175.800 -0.006 0.000 1.083 52 F CA -0.689 57.310 58.000 -0.001 0.000 1.365 52 F CB -0.249 38.747 39.000 -0.006 0.000 1.100 52 F HN -0.111 nan 8.300 nan 0.000 0.633 53 N N 1.042 119.818 118.700 0.128 0.000 2.384 53 N HA 0.424 5.164 4.740 0.001 0.000 0.301 53 N C -2.724 172.796 175.510 0.017 0.000 1.133 53 N CA -1.962 51.131 53.050 0.072 0.000 0.853 53 N CB 1.310 39.843 38.487 0.077 0.000 1.241 53 N HN -0.229 nan 8.380 nan 0.000 0.502 54 P HA 0.172 nan 4.420 nan 0.000 0.274 54 P C -0.342 176.959 177.300 0.001 0.000 1.256 54 P CA -0.350 62.753 63.100 0.005 0.000 0.795 54 P CB 0.707 32.418 31.700 0.019 0.000 1.038 55 L N 2.017 123.239 121.223 -0.002 0.000 2.452 55 L HA 0.240 4.580 4.340 0.001 0.000 0.267 55 L C -1.503 175.373 176.870 0.011 0.000 1.188 55 L CA -1.631 53.207 54.840 -0.003 0.000 0.821 55 L CB -0.075 41.984 42.059 -0.001 0.000 1.102 55 L HN 0.331 nan 8.230 nan 0.000 0.470 56 P HA 0.045 nan 4.420 nan 0.000 0.282 56 P C -1.020 176.294 177.300 0.024 0.000 1.286 56 P CA -0.552 62.561 63.100 0.022 0.000 0.777 56 P CB 0.371 32.087 31.700 0.027 0.000 1.184 57 D N -0.389 120.026 120.400 0.025 0.000 2.423 57 D HA -0.037 4.603 4.640 0.001 0.000 0.238 57 D C 1.451 177.764 176.300 0.021 0.000 1.142 57 D CA 0.253 54.265 54.000 0.020 0.000 0.884 57 D CB 0.220 41.031 40.800 0.018 0.000 1.199 57 D HN 0.405 nan 8.370 nan 0.000 0.438 58 Q N 1.045 120.848 119.800 0.004 0.000 2.118 58 Q HA -0.317 4.024 4.340 0.001 0.000 0.211 58 Q C 1.774 177.789 176.000 0.025 0.000 0.998 58 Q CA 1.891 57.692 55.803 -0.003 0.000 0.872 58 Q CB 0.061 28.777 28.738 -0.036 0.000 0.925 58 Q HN 0.534 nan 8.270 nan 0.000 0.414 59 Q N -0.490 119.323 119.800 0.022 0.000 2.119 59 Q HA -0.231 4.109 4.340 0.001 0.000 0.201 59 Q C 1.798 177.836 176.000 0.062 0.000 0.972 59 Q CA 1.513 57.337 55.803 0.035 0.000 0.847 59 Q CB 0.032 28.782 28.738 0.020 0.000 0.903 59 Q HN 0.264 nan 8.270 nan 0.000 0.433 60 E N 0.738 120.974 120.200 0.059 0.000 2.051 60 E HA -0.152 4.198 4.350 0.001 0.000 0.192 60 E C 1.756 178.427 176.600 0.120 0.000 0.991 60 E CA 1.328 57.772 56.400 0.074 0.000 0.799 60 E CB -0.304 29.429 29.700 0.055 0.000 0.748 60 E HN 0.472 nan 8.360 nan 0.000 0.449 61 I N 0.525 121.170 120.570 0.125 0.000 2.163 61 I HA -0.286 3.885 4.170 0.001 0.000 0.243 61 I C 2.324 178.577 176.117 0.226 0.000 1.085 61 I CA 1.632 63.051 61.300 0.198 0.000 1.347 61 I CB -0.404 37.681 38.000 0.143 0.000 1.044 61 I HN 0.178 nan 8.210 nan 0.000 0.408 62 E N 0.495 120.805 120.200 0.184 0.000 2.110 62 E HA -0.170 4.181 4.350 0.001 0.000 0.193 62 E C 2.347 179.117 176.600 0.284 0.000 0.988 62 E CA 1.555 58.121 56.400 0.276 0.000 0.804 62 E CB -0.016 29.803 29.700 0.198 0.000 0.745 62 E HN 0.377 nan 8.360 nan 0.000 0.458 63 S N 0.059 115.875 115.700 0.194 0.000 2.387 63 S HA -0.087 4.384 4.470 0.001 0.000 0.226 63 S C 2.129 176.839 174.600 0.182 0.000 1.026 63 S CA 0.598 58.901 58.200 0.171 0.000 0.972 63 S CB 0.070 63.336 63.200 0.110 0.000 0.814 63 S HN 0.049 nan 8.310 nan 0.000 0.477 64 V N 1.063 121.097 119.914 0.199 0.000 2.323 64 V HA -0.100 4.020 4.120 0.001 0.000 0.244 64 V C 1.839 178.025 176.094 0.152 0.000 1.041 64 V CA 1.562 64.001 62.300 0.232 0.000 1.025 64 V CB -0.698 31.308 31.823 0.305 0.000 0.656 64 V HN 0.453 nan 8.190 nan 0.000 0.451 65 F N 1.163 121.010 119.950 -0.171 0.000 2.091 65 F HA -0.257 4.271 4.527 0.001 0.000 0.299 65 F C 2.520 178.047 175.800 -0.455 0.000 1.103 65 F CA 2.416 59.980 58.000 -0.727 0.000 1.228 65 F CB -0.199 38.113 39.000 -1.147 0.000 0.984 65 F HN 0.188 nan 8.300 nan 0.000 0.477 66 E N -1.153 119.029 120.200 -0.031 0.000 2.097 66 E HA -0.319 4.031 4.350 0.001 0.000 0.196 66 E C 2.369 179.049 176.600 0.133 0.000 1.000 66 E CA 1.628 58.135 56.400 0.177 0.000 0.804 66 E CB -0.429 29.486 29.700 0.359 0.000 0.740 66 E HN 0.563 nan 8.360 nan 0.000 0.454 67 H N -0.359 118.726 119.070 0.024 0.000 2.403 67 H HA 0.002 4.559 4.556 0.001 0.000 0.298 67 H C 1.487 176.800 175.328 -0.025 0.000 1.059 67 H CA 1.440 57.504 56.048 0.026 0.000 1.363 67 H CB 0.505 30.299 29.762 0.053 0.000 1.410 67 H HN 0.249 nan 8.280 nan 0.000 0.528 68 E N -0.351 119.811 120.200 -0.064 0.000 2.162 68 E HA -0.040 4.311 4.350 0.001 0.000 0.193 68 E C 2.057 178.527 176.600 -0.217 0.000 0.953 68 E CA 0.742 57.103 56.400 -0.066 0.000 0.849 68 E CB 0.597 30.350 29.700 0.090 0.000 0.810 68 E HN 0.226 nan 8.360 nan 0.000 0.470 69 V N -0.250 119.297 119.914 -0.612 0.000 3.151 69 V HA 0.056 4.176 4.120 0.001 0.000 0.241 69 V C 1.558 177.293 176.094 -0.599 0.000 1.173 69 V CA 0.042 61.907 62.300 -0.725 0.000 1.154 69 V CB -0.082 31.050 31.823 -1.152 0.000 0.898 69 V HN 0.501 nan 8.190 nan 0.000 0.473 70 W N 1.994 122.758 121.300 -0.894 0.000 2.321 70 W HA -0.117 4.543 4.660 0.001 0.000 0.306 70 W C -0.665 175.718 176.519 -0.226 0.000 1.217 70 W CA 1.997 59.048 57.345 -0.490 0.000 1.257 70 W CB -1.269 28.038 29.460 -0.254 0.000 1.145 70 W HN 0.378 nan 8.180 nan 0.000 0.509 71 P HA -0.191 nan 4.420 nan 0.000 0.219 71 P C 1.799 178.902 177.300 -0.328 0.000 1.146 71 P CA 2.761 65.669 63.100 -0.320 0.000 0.808 71 P CB -0.381 31.201 31.700 -0.197 0.000 0.779 72 S N -2.058 113.473 115.700 -0.281 0.000 2.527 72 S HA 0.073 4.543 4.470 0.001 0.000 0.222 72 S C 1.586 176.028 174.600 -0.263 0.000 0.985 72 S CA 0.386 58.456 58.200 -0.217 0.000 0.921 72 S CB -1.021 62.103 63.200 -0.127 0.000 0.772 72 S HN 0.093 nan 8.310 nan 0.000 0.529 73 L N -0.117 120.864 121.223 -0.404 0.000 2.388 73 L HA 0.355 4.696 4.340 0.001 0.000 0.209 73 L C 1.188 177.685 176.870 -0.623 0.000 1.061 73 L CA -0.071 54.524 54.840 -0.409 0.000 0.834 73 L CB -0.323 41.594 42.059 -0.237 0.000 1.029 73 L HN 0.150 nan 8.230 nan 0.000 0.473 74 K N 1.170 120.934 120.400 -1.060 0.000 2.489 74 K HA 0.158 4.479 4.320 0.001 0.000 0.278 74 K C 1.051 177.410 176.600 -0.400 0.000 1.000 74 K CA 0.989 56.709 56.287 -0.946 0.000 1.012 74 K CB 0.409 32.294 32.500 -1.024 0.000 0.903 74 K HN 0.256 nan 8.250 nan 0.000 0.485 75 G N 2.511 111.178 108.800 -0.222 0.000 2.184 75 G HA2 -0.246 3.714 3.960 0.001 0.000 0.264 75 G HA3 -0.246 3.714 3.960 0.001 0.000 0.264 75 G C -0.356 174.478 174.900 -0.110 0.000 0.975 75 G CA 0.148 45.176 45.100 -0.121 0.000 0.642 75 G HN 0.699 nan 8.290 nan 0.000 0.536 76 N N -0.005 118.614 118.700 -0.136 0.000 2.430 76 N HA 0.500 5.240 4.740 0.001 0.000 0.298 76 N C 0.043 175.502 175.510 -0.086 0.000 1.130 76 N CA -0.674 52.310 53.050 -0.110 0.000 0.894 76 N CB 0.851 39.259 38.487 -0.132 0.000 1.209 76 N HN 0.078 nan 8.380 nan 0.000 0.503 77 R N 0.873 121.328 120.500 -0.076 0.000 2.340 77 R HA 0.265 4.606 4.340 0.001 0.000 0.300 77 R C 0.909 177.148 176.300 -0.101 0.000 1.069 77 R CA -0.227 55.830 56.100 -0.072 0.000 0.984 77 R CB 0.799 31.063 30.300 -0.061 0.000 1.003 77 R HN 0.740 nan 8.270 nan 0.000 0.459 78 A N 3.738 126.493 122.820 -0.108 0.000 1.903 78 A HA -0.233 4.088 4.320 0.001 0.000 0.219 78 A C 1.929 179.357 177.584 -0.260 0.000 1.191 78 A CA 1.651 53.588 52.037 -0.167 0.000 0.638 78 A CB -0.429 18.483 19.000 -0.147 0.000 0.823 78 A HN 0.702 nan 8.150 nan 0.000 0.451 79 I N -0.523 119.919 120.570 -0.214 0.000 2.567 79 I HA -0.137 4.034 4.170 0.001 0.000 0.257 79 I C 2.445 178.487 176.117 -0.125 0.000 1.184 79 I CA 1.188 62.349 61.300 -0.231 0.000 1.451 79 I CB -0.247 37.693 38.000 -0.100 0.000 1.089 79 I HN 0.302 nan 8.210 nan 0.000 0.441 80 A N -0.115 122.653 122.820 -0.086 0.000 1.898 80 A HA -0.037 4.283 4.320 0.001 0.000 0.214 80 A C 2.228 179.766 177.584 -0.076 0.000 1.183 80 A CA 1.226 53.247 52.037 -0.026 0.000 0.622 80 A CB -0.776 18.199 19.000 -0.042 0.000 0.824 80 A HN 0.425 nan 8.150 nan 0.000 0.444 81 L N 0.340 121.474 121.223 -0.148 0.000 2.093 81 L HA -0.142 4.199 4.340 0.001 0.000 0.208 81 L C 2.525 179.273 176.870 -0.204 0.000 1.085 81 L CA 1.431 56.182 54.840 -0.149 0.000 0.755 81 L CB -0.541 41.430 42.059 -0.148 0.000 0.904 81 L HN 0.438 nan 8.230 nan 0.000 0.435 82 V N -4.019 115.647 119.914 -0.413 0.000 3.078 82 V HA -0.220 3.900 4.120 0.001 0.000 0.265 82 V C 1.631 177.467 176.094 -0.431 0.000 1.122 82 V CA 1.499 63.450 62.300 -0.582 0.000 1.141 82 V CB -1.120 29.795 31.823 -1.513 0.000 0.735 82 V HN 0.485 nan 8.190 nan 0.000 0.498 83 H N -0.381 118.603 119.070 -0.143 0.000 2.592 83 H HA 0.347 4.903 4.556 0.001 0.000 0.265 83 H C 1.401 176.715 175.328 -0.024 0.000 0.955 83 H CA -0.214 55.805 56.048 -0.049 0.000 1.175 83 H CB 0.241 29.966 29.762 -0.061 0.000 1.433 83 H HN 0.368 nan 8.280 nan 0.000 0.537 84 R N 1.587 122.116 120.500 0.048 0.000 2.585 84 R HA 0.060 4.401 4.340 0.001 0.000 0.275 84 R C -0.942 175.387 176.300 0.048 0.000 1.018 84 R CA 0.040 56.160 56.100 0.034 0.000 1.072 84 R CB 0.316 30.618 30.300 0.003 0.000 0.953 84 R HN -0.022 nan 8.270 nan 0.000 0.419 85 V N 6.041 125.979 119.914 0.040 0.000 2.347 85 V HA 0.246 4.366 4.120 0.001 0.000 0.280 85 V C -0.266 175.845 176.094 0.028 0.000 1.021 85 V CA -0.696 61.628 62.300 0.040 0.000 0.847 85 V CB 1.304 33.145 31.823 0.029 0.000 0.990 85 V HN 0.815 nan 8.190 nan 0.000 0.444 86 N N 4.101 122.821 118.700 0.034 0.000 2.417 86 N HA 0.518 5.259 4.740 0.001 0.000 0.300 86 N C -0.329 175.194 175.510 0.021 0.000 1.102 86 N CA -0.744 52.319 53.050 0.022 0.000 0.886 86 N CB 2.263 40.765 38.487 0.024 0.000 1.203 86 N HN 0.510 nan 8.380 nan 0.000 0.496 87 R N 1.081 121.588 120.500 0.010 0.000 2.459 87 R HA 0.234 4.575 4.340 0.001 0.000 0.281 87 R C -1.082 175.220 176.300 0.004 0.000 1.050 87 R CA -1.179 54.926 56.100 0.010 0.000 1.055 87 R CB 0.525 30.828 30.300 0.006 0.000 1.045 87 R HN 0.395 nan 8.270 nan 0.000 0.495 88 P HA -0.178 nan 4.420 nan 0.000 0.210 88 P C -0.283 177.008 177.300 -0.016 0.000 1.185 88 P CA 0.860 63.957 63.100 -0.005 0.000 0.924 88 P CB 0.092 31.792 31.700 -0.000 0.000 0.786 97 S N 0.680 116.532 115.700 0.253 0.000 2.481 97 S HA 0.244 4.714 4.470 0.001 0.000 0.231 97 S C 0.068 174.659 174.600 -0.015 0.000 0.996 97 S CA 0.939 59.205 58.200 0.110 0.000 0.942 97 S CB -0.120 63.153 63.200 0.122 0.000 0.768 97 S HN 0.395 nan 8.310 nan 0.000 0.520 98 L N 1.369 122.481 121.223 -0.185 0.000 2.393 98 L HA 0.468 4.808 4.340 0.001 0.000 0.260 98 L C -2.539 174.002 176.870 -0.549 0.000 1.002 98 L CA -2.408 52.155 54.840 -0.462 0.000 0.818 98 L CB 2.305 43.884 42.059 -0.800 0.000 1.369 98 L HN -0.114 nan 8.230 nan 0.000 0.412 99 P HA 0.119 nan 4.420 nan 0.000 0.263 99 P C -0.129 177.117 177.300 -0.091 0.000 1.601 99 P CA 0.048 63.065 63.100 -0.138 0.000 1.161 99 P CB -0.114 31.550 31.700 -0.059 0.000 1.730 100 F N 0.024 120.099 119.950 0.209 0.000 2.714 100 F HA 0.057 4.585 4.527 0.001 0.000 0.294 100 F C 2.474 178.429 175.800 0.258 0.000 1.120 100 F CA 0.231 58.334 58.000 0.172 0.000 1.398 100 F CB -1.013 37.995 39.000 0.014 0.000 1.120 100 F HN 0.306 nan 8.300 nan 0.000 0.589 101 H N 0.793 120.117 119.070 0.422 0.000 2.265 101 H HA -0.213 4.344 4.556 0.001 0.000 0.295 101 H C 2.326 177.806 175.328 0.252 0.000 1.084 101 H CA 2.568 58.821 56.048 0.341 0.000 1.261 101 H CB -0.124 29.792 29.762 0.257 0.000 1.360 101 H HN 0.346 nan 8.280 nan 0.000 0.487 102 E N -0.220 120.087 120.200 0.179 0.000 2.031 102 E HA -0.203 4.148 4.350 0.001 0.000 0.193 102 E C 2.364 179.033 176.600 0.114 0.000 0.994 102 E CA 1.138 57.603 56.400 0.108 0.000 0.800 102 E CB -0.378 29.416 29.700 0.156 0.000 0.752 102 E HN 0.570 nan 8.360 nan 0.000 0.447 103 A N 0.594 123.501 122.820 0.144 0.000 1.892 103 A HA -0.189 4.131 4.320 0.001 0.000 0.218 103 A C 2.459 180.103 177.584 0.101 0.000 1.188 103 A CA 1.817 53.920 52.037 0.109 0.000 0.631 103 A CB -0.908 18.152 19.000 0.100 0.000 0.822 103 A HN 0.254 nan 8.150 nan 0.000 0.447 104 V N -0.093 119.909 119.914 0.146 0.000 2.287 104 V HA -0.343 3.777 4.120 0.001 0.000 0.248 104 V C 2.656 178.815 176.094 0.108 0.000 1.053 104 V CA 2.352 64.735 62.300 0.139 0.000 1.027 104 V CB -0.974 30.955 31.823 0.176 0.000 0.646 104 V HN 0.653 nan 8.190 nan 0.000 0.447 105 Q N -0.612 119.246 119.800 0.096 0.000 2.079 105 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 105 Q C 2.368 178.556 176.000 0.313 0.000 0.974 105 Q CA 1.638 57.552 55.803 0.185 0.000 0.840 105 Q CB -0.258 28.557 28.738 0.128 0.000 0.898 105 Q HN 0.570 nan 8.270 nan 0.000 0.430 106 V N 1.020 121.069 119.914 0.226 0.000 2.295 106 V HA -0.275 3.846 4.120 0.001 0.000 0.246 106 V C 2.284 178.532 176.094 0.256 0.000 1.049 106 V CA 1.899 64.357 62.300 0.264 0.000 1.024 106 V CB -1.005 30.950 31.823 0.219 0.000 0.648 106 V HN 0.380 nan 8.190 nan 0.000 0.447 107 A N -0.214 122.695 122.820 0.148 0.000 1.873 107 A HA -0.126 4.194 4.320 0.001 0.000 0.215 107 A C 2.236 179.845 177.584 0.042 0.000 1.186 107 A CA 1.696 53.775 52.037 0.069 0.000 0.616 107 A CB -0.559 18.446 19.000 0.008 0.000 0.823 107 A HN 0.479 nan 8.150 nan 0.000 0.442 108 L N -2.443 118.807 121.223 0.044 0.000 2.012 108 L HA -0.256 4.084 4.340 0.001 0.000 0.210 108 L C 2.660 179.462 176.870 -0.113 0.000 1.073 108 L CA 1.716 56.519 54.840 -0.062 0.000 0.748 108 L CB -0.602 41.377 42.059 -0.134 0.000 0.891 108 L HN 0.622 nan 8.230 nan 0.000 0.431 109 W N 0.258 121.534 121.300 -0.039 0.000 2.402 109 W HA -0.187 4.474 4.660 0.001 0.000 0.286 109 W C 2.370 178.829 176.519 -0.100 0.000 1.221 109 W CA 1.128 58.438 57.345 -0.058 0.000 1.257 109 W CB -0.357 29.087 29.460 -0.028 0.000 1.120 109 W HN 0.239 nan 8.180 nan 0.000 0.551 110 D N 0.276 120.723 120.400 0.079 0.000 2.084 110 D HA -0.207 4.433 4.640 0.001 0.000 0.194 110 D C 2.066 178.285 176.300 -0.136 0.000 0.990 110 D CA 1.430 55.312 54.000 -0.197 0.000 0.826 110 D CB -0.467 40.044 40.800 -0.481 0.000 0.971 110 D HN -0.017 nan 8.370 nan 0.000 0.453 111 L N 0.645 121.811 121.223 -0.095 0.000 2.012 111 L HA -0.064 4.276 4.340 0.001 0.000 0.210 111 L C 2.223 179.050 176.870 -0.072 0.000 1.073 111 L CA 2.376 57.169 54.840 -0.079 0.000 0.748 111 L CB -1.244 40.777 42.059 -0.065 0.000 0.891 111 L HN 0.104 nan 8.230 nan 0.000 0.431 112 A N -0.606 122.162 122.820 -0.088 0.000 1.902 112 A HA -0.119 4.201 4.320 0.001 0.000 0.217 112 A C 2.459 180.025 177.584 -0.030 0.000 1.181 112 A CA 2.064 54.043 52.037 -0.097 0.000 0.623 112 A CB -1.227 17.642 19.000 -0.219 0.000 0.818 112 A HN 0.603 nan 8.150 nan 0.000 0.443 113 A N -0.136 122.691 122.820 0.011 0.000 1.858 113 A HA -0.185 4.136 4.320 0.001 0.000 0.216 113 A C 2.118 179.691 177.584 -0.020 0.000 1.190 113 A CA 1.884 53.929 52.037 0.013 0.000 0.617 113 A CB -0.511 18.494 19.000 0.008 0.000 0.827 113 A HN 0.546 nan 8.150 nan 0.000 0.443 114 K N -0.400 119.974 120.400 -0.043 0.000 2.032 114 K HA -0.200 4.121 4.320 0.001 0.000 0.209 114 K C 1.975 178.560 176.600 -0.025 0.000 1.048 114 K CA 1.826 58.091 56.287 -0.038 0.000 0.927 114 K CB -0.244 32.225 32.500 -0.051 0.000 0.712 114 K HN 0.615 nan 8.250 nan 0.000 0.441 115 E N 0.081 120.264 120.200 -0.029 0.000 2.204 115 E HA -0.127 4.224 4.350 0.001 0.000 0.194 115 E C 1.669 178.259 176.600 -0.016 0.000 0.989 115 E CA 0.780 57.166 56.400 -0.023 0.000 0.824 115 E CB 0.032 29.714 29.700 -0.030 0.000 0.756 115 E HN 0.329 nan 8.360 nan 0.000 0.477 116 A N 0.304 123.118 122.820 -0.011 0.000 2.208 116 A HA 0.226 4.546 4.320 0.001 0.000 0.209 116 A C 1.511 179.093 177.584 -0.002 0.000 1.161 116 A CA 0.701 52.736 52.037 -0.002 0.000 0.782 116 A CB -0.236 18.771 19.000 0.011 0.000 0.816 116 A HN 0.276 nan 8.150 nan 0.000 0.477 117 G N -0.822 107.974 108.800 -0.006 0.000 2.289 117 G HA2 -0.167 3.793 3.960 0.001 0.000 0.280 117 G HA3 -0.167 3.793 3.960 0.001 0.000 0.280 117 G C -0.304 174.593 174.900 -0.006 0.000 1.089 117 G CA 0.520 45.617 45.100 -0.005 0.000 0.939 117 G HN 0.581 nan 8.290 nan 0.000 0.499 118 L N -0.953 120.264 121.223 -0.010 0.000 2.465 118 L HA 0.531 4.871 4.340 0.001 0.000 0.257 118 L C -2.414 174.441 176.870 -0.026 0.000 0.988 118 L CA -2.674 52.154 54.840 -0.020 0.000 0.827 118 L CB 2.735 44.781 42.059 -0.022 0.000 1.397 118 L HN -0.119 nan 8.230 nan 0.000 0.410 119 P HA 0.044 nan 4.420 nan 0.000 0.268 119 P C 0.465 177.719 177.300 -0.077 0.000 1.205 119 P CA -0.337 62.753 63.100 -0.017 0.000 0.771 119 P CB 0.765 32.465 31.700 -0.000 0.000 0.858 120 L N 4.766 125.919 121.223 -0.117 0.000 2.021 120 L HA -0.260 4.081 4.340 0.001 0.000 0.215 120 L C 2.402 179.287 176.870 0.026 0.000 1.074 120 L CA 2.399 57.158 54.840 -0.135 0.000 0.760 120 L CB -1.615 40.214 42.059 -0.382 0.000 0.889 120 L HN 0.609 nan 8.230 nan 0.000 0.433 121 H N -2.854 116.358 119.070 0.237 0.000 2.352 121 H HA -0.119 4.437 4.556 0.001 0.000 0.299 121 H C 1.865 177.258 175.328 0.109 0.000 1.097 121 H CA 1.779 57.955 56.048 0.214 0.000 1.311 121 H CB -1.199 28.718 29.762 0.259 0.000 1.377 121 H HN 0.194 nan 8.280 nan 0.000 0.504 122 V N 0.836 120.468 119.914 -0.470 0.000 2.295 122 V HA -0.226 3.895 4.120 0.001 0.000 0.246 122 V C 2.630 178.686 176.094 -0.064 0.000 1.049 122 V CA 1.618 63.766 62.300 -0.254 0.000 1.024 122 V CB -0.794 30.858 31.823 -0.286 0.000 0.648 122 V HN 0.393 nan 8.190 nan 0.000 0.447 123 L N -0.136 121.067 121.223 -0.033 0.000 2.079 123 L HA -0.141 4.200 4.340 0.001 0.000 0.210 123 L C 2.013 178.935 176.870 0.086 0.000 1.081 123 L CA 1.871 56.748 54.840 0.061 0.000 0.752 123 L CB -0.501 41.630 42.059 0.119 0.000 0.896 123 L HN 0.253 nan 8.230 nan 0.000 0.433 124 L N -0.454 120.791 121.223 0.037 0.000 2.610 124 L HA 0.146 4.487 4.340 0.001 0.000 0.232 124 L C 1.493 178.384 176.870 0.035 0.000 1.149 124 L CA 0.583 55.421 54.840 -0.004 0.000 0.872 124 L CB -0.876 41.145 42.059 -0.064 0.000 0.992 124 L HN 0.584 nan 8.230 nan 0.000 0.447 125 G N 0.054 108.883 108.800 0.049 0.000 2.132 125 G HA2 -0.285 3.676 3.960 0.001 0.000 0.234 125 G HA3 -0.285 3.676 3.960 0.001 0.000 0.234 125 G C 0.427 175.364 174.900 0.061 0.000 0.989 125 G CA 0.310 45.441 45.100 0.052 0.000 0.676 125 G HN 0.476 nan 8.290 nan 0.000 0.522 126 S N -0.754 114.999 115.700 0.089 0.000 2.576 126 S HA 0.529 4.999 4.470 0.001 0.000 0.272 126 S C 1.202 175.862 174.600 0.100 0.000 1.352 126 S CA 0.545 58.821 58.200 0.126 0.000 1.021 126 S CB 1.191 64.555 63.200 0.274 0.000 0.887 126 S HN 0.489 nan 8.310 nan 0.000 0.542 127 R N 0.529 121.077 120.500 0.080 0.000 2.487 127 R HA 0.212 4.552 4.340 0.001 0.000 0.272 127 R C 0.494 176.826 176.300 0.053 0.000 0.928 127 R CA -0.146 55.989 56.100 0.058 0.000 1.077 127 R CB 0.335 30.656 30.300 0.035 0.000 1.265 127 R HN 0.818 nan 8.270 nan 0.000 0.537 128 R N 0.597 121.129 120.500 0.053 0.000 2.930 128 R HA 0.307 4.648 4.340 0.001 0.000 0.257 128 R C -0.174 176.119 176.300 -0.012 0.000 1.107 128 R CA -0.746 55.360 56.100 0.009 0.000 0.999 128 R CB 0.456 30.732 30.300 -0.040 0.000 1.209 128 R HN -0.165 nan 8.270 nan 0.000 0.486 129 N N 0.170 118.819 118.700 -0.084 0.000 2.160 129 N HA 0.062 4.802 4.740 0.001 0.000 0.226 129 N C -0.639 174.720 175.510 -0.253 0.000 1.256 129 N CA -0.500 52.427 53.050 -0.204 0.000 0.890 129 N CB 0.629 39.082 38.487 -0.056 0.000 1.116 129 N HN 0.737 nan 8.380 nan 0.000 0.517 130 R N -1.089 119.250 120.500 -0.267 0.000 2.739 130 R HA 0.741 5.082 4.340 0.001 0.000 0.271 130 R C -2.008 174.137 176.300 -0.259 0.000 1.010 130 R CA -0.831 55.028 56.100 -0.401 0.000 0.897 130 R CB 1.768 31.616 30.300 -0.754 0.000 1.236 130 R HN -0.147 nan 8.270 nan 0.000 0.466 131 V N 1.458 121.239 119.914 -0.222 0.000 2.971 131 V HA 0.392 4.513 4.120 0.001 0.000 0.309 131 V C -0.913 175.093 176.094 -0.148 0.000 1.130 131 V CA -1.075 61.140 62.300 -0.142 0.000 0.964 131 V CB 2.540 34.280 31.823 -0.139 0.000 1.029 131 V HN 0.814 nan 8.190 nan 0.000 0.427 132 K N 3.690 123.890 120.400 -0.333 0.000 2.485 132 K HA 0.515 4.836 4.320 0.001 0.000 0.277 132 K C -0.126 176.384 176.600 -0.150 0.000 0.990 132 K CA 0.455 56.387 56.287 -0.592 0.000 0.994 132 K CB 0.917 32.716 32.500 -1.168 0.000 0.906 132 K HN 0.834 nan 8.250 nan 0.000 0.488 133 A N 2.983 125.782 122.820 -0.035 0.000 2.350 133 A HA 0.543 4.864 4.320 0.001 0.000 0.324 133 A C -1.224 176.642 177.584 0.469 0.000 1.118 133 A CA -0.812 51.338 52.037 0.188 0.000 0.783 133 A CB 0.523 19.552 19.000 0.048 0.000 1.236 133 A HN 0.696 nan 8.150 nan 0.000 0.457 134 Y N -0.250 120.269 120.300 0.364 0.000 2.509 134 Y HA 0.800 5.350 4.550 0.001 0.000 0.341 134 Y C 0.086 176.025 175.900 0.065 0.000 1.038 134 Y CA -1.223 56.964 58.100 0.145 0.000 1.089 134 Y CB 1.410 39.724 38.460 -0.243 0.000 1.241 134 Y HN 0.779 nan 8.280 nan 0.000 0.468 135 A N 2.010 124.848 122.820 0.030 0.000 2.289 135 A HA 0.574 4.894 4.320 0.001 0.000 0.298 135 A C -0.364 177.376 177.584 0.259 0.000 1.208 135 A CA -0.407 51.586 52.037 -0.073 0.000 0.845 135 A CB 0.357 19.253 19.000 -0.173 0.000 1.125 135 A HN 0.774 nan 8.150 nan 0.000 0.517 136 S N 1.697 117.488 115.700 0.151 0.000 2.605 136 S HA 0.539 5.010 4.470 0.001 0.000 0.308 136 S C 1.001 175.658 174.600 0.096 0.000 1.113 136 S CA 0.060 58.384 58.200 0.207 0.000 1.049 136 S CB 1.062 64.324 63.200 0.103 0.000 1.001 136 S HN 1.106 nan 8.310 nan 0.000 0.480 137 G N 2.774 111.680 108.800 0.178 0.000 2.539 137 G HA2 0.161 4.122 3.960 0.001 0.000 0.215 137 G HA3 0.161 4.122 3.960 0.001 0.000 0.215 137 G C 0.642 175.572 174.900 0.051 0.000 1.141 137 G CA -0.025 45.045 45.100 -0.051 0.000 0.806 137 G HN 1.012 nan 8.290 nan 0.000 0.533 138 L N 1.451 122.756 121.223 0.138 0.000 3.678 138 L HA -0.167 4.174 4.340 0.001 0.000 0.425 138 L C 0.544 177.520 176.870 0.176 0.000 1.240 138 L CA 0.661 55.579 54.840 0.131 0.000 0.876 138 L CB -1.602 40.492 42.059 0.058 0.000 1.766 138 L HN 0.530 nan 8.230 nan 0.000 0.917 139 D N -1.197 119.356 120.400 0.255 0.000 2.368 139 D HA -0.022 4.618 4.640 0.001 0.000 0.218 139 D C 1.413 177.872 176.300 0.265 0.000 1.112 139 D CA -0.388 53.792 54.000 0.300 0.000 0.834 139 D CB 0.108 41.233 40.800 0.542 0.000 0.953 139 D HN 0.457 nan 8.370 nan 0.000 0.505 140 F N 1.892 121.858 119.950 0.027 0.000 2.269 140 F HA -0.177 4.351 4.527 0.001 0.000 0.301 140 F C 1.753 177.426 175.800 -0.212 0.000 1.082 140 F CA 1.422 59.337 58.000 -0.142 0.000 1.360 140 F CB 0.061 38.843 39.000 -0.363 0.000 1.041 140 F HN 0.058 nan 8.300 nan 0.000 0.512 141 H N -1.030 118.159 119.070 0.198 0.000 2.622 141 H HA 0.193 4.750 4.556 0.001 0.000 0.269 141 H C 0.397 175.760 175.328 0.057 0.000 0.977 141 H CA -0.232 55.885 56.048 0.115 0.000 1.179 141 H CB -0.027 29.831 29.762 0.160 0.000 1.458 141 H HN 0.010 nan 8.280 nan 0.000 0.531 142 L N 3.929 125.246 121.223 0.156 0.000 2.525 142 L HA -0.054 4.286 4.340 0.001 0.000 0.278 142 L C 1.040 177.944 176.870 0.057 0.000 1.218 142 L CA 0.033 54.945 54.840 0.121 0.000 0.878 142 L CB 0.293 42.459 42.059 0.179 0.000 1.127 142 L HN 0.311 nan 8.230 nan 0.000 0.492 143 D N 2.132 122.559 120.400 0.046 0.000 2.382 143 D HA -0.060 4.580 4.640 0.001 0.000 0.240 143 D C 0.224 176.536 176.300 0.019 0.000 1.146 143 D CA -0.510 53.495 54.000 0.008 0.000 0.897 143 D CB 0.902 41.708 40.800 0.009 0.000 1.197 143 D HN 0.454 nan 8.370 nan 0.000 0.432 144 D N 1.084 121.463 120.400 -0.036 0.000 2.172 144 D HA -0.231 4.409 4.640 0.001 0.000 0.196 144 D C 1.377 177.720 176.300 0.071 0.000 0.999 144 D CA 1.563 55.547 54.000 -0.026 0.000 0.856 144 D CB -0.265 40.486 40.800 -0.081 0.000 0.934 144 D HN 0.676 nan 8.370 nan 0.000 0.453 145 D N -0.167 120.259 120.400 0.043 0.000 2.097 145 D HA -0.059 4.582 4.640 0.001 0.000 0.197 145 D C 1.956 178.291 176.300 0.059 0.000 0.984 145 D CA 1.635 55.662 54.000 0.046 0.000 0.826 145 D CB -0.057 40.754 40.800 0.017 0.000 0.973 145 D HN 0.102 nan 8.370 nan 0.000 0.460 146 A N -0.459 122.397 122.820 0.060 0.000 1.933 146 A HA -0.100 4.221 4.320 0.001 0.000 0.218 146 A C 2.148 179.772 177.584 0.067 0.000 1.175 146 A CA 1.179 53.240 52.037 0.039 0.000 0.628 146 A CB -1.198 17.822 19.000 0.032 0.000 0.814 146 A HN 0.477 nan 8.150 nan 0.000 0.444 147 F N 0.525 120.465 119.950 -0.017 0.000 2.075 147 F HA -0.186 4.341 4.527 0.001 0.000 0.297 147 F C 2.362 178.207 175.800 0.076 0.000 1.113 147 F CA 2.307 60.333 58.000 0.044 0.000 1.218 147 F CB -0.278 38.766 39.000 0.074 0.000 0.984 147 F HN 0.115 nan 8.300 nan 0.000 0.472 148 V N -0.855 119.198 119.914 0.231 0.000 2.515 148 V HA -0.200 3.921 4.120 0.001 0.000 0.250 148 V C 2.349 178.422 176.094 -0.035 0.000 1.058 148 V CA 2.409 64.754 62.300 0.075 0.000 1.064 148 V CB -0.809 31.079 31.823 0.109 0.000 0.675 148 V HN 0.555 nan 8.190 nan 0.000 0.461 149 S N -0.271 115.408 115.700 -0.035 0.000 2.356 149 S HA -0.199 4.271 4.470 0.001 0.000 0.223 149 S C 2.010 176.515 174.600 -0.159 0.000 1.032 149 S CA 2.142 60.297 58.200 -0.075 0.000 1.005 149 S CB -0.618 62.543 63.200 -0.064 0.000 0.867 149 S HN 0.729 nan 8.310 nan 0.000 0.449 150 L N -0.533 120.523 121.223 -0.279 0.000 2.017 150 L HA -0.000 4.340 4.340 0.001 0.000 0.208 150 L C 2.097 178.622 176.870 -0.574 0.000 1.073 150 L CA 1.791 56.324 54.840 -0.512 0.000 0.745 150 L CB -0.387 41.263 42.059 -0.681 0.000 0.894 150 L HN 0.353 nan 8.230 nan 0.000 0.432 151 F N -0.121 119.592 119.950 -0.395 0.000 2.259 151 F HA -0.152 4.376 4.527 0.001 0.000 0.298 151 F C 2.921 178.547 175.800 -0.290 0.000 1.088 151 F CA 1.264 59.026 58.000 -0.398 0.000 1.358 151 F CB -0.736 37.889 39.000 -0.626 0.000 1.040 151 F HN 0.258 nan 8.300 nan 0.000 0.505 152 S N -1.338 114.316 115.700 -0.076 0.000 2.406 152 S HA -0.219 4.252 4.470 0.001 0.000 0.228 152 S C 2.106 176.710 174.600 0.007 0.000 1.020 152 S CA 1.100 59.274 58.200 -0.042 0.000 0.965 152 S CB -1.042 62.138 63.200 -0.032 0.000 0.798 152 S HN 0.525 nan 8.310 nan 0.000 0.488 153 H N 2.058 121.058 119.070 -0.116 0.000 2.319 153 H HA -0.085 4.472 4.556 0.001 0.000 0.299 153 H C 2.368 177.685 175.328 -0.018 0.000 1.092 153 H CA 1.791 57.780 56.048 -0.098 0.000 1.302 153 H CB -0.579 29.067 29.762 -0.193 0.000 1.373 153 H HN 0.535 nan 8.280 nan 0.000 0.497 154 A N 1.234 123.971 122.820 -0.139 0.000 1.892 154 A HA -0.185 4.136 4.320 0.001 0.000 0.218 154 A C 2.712 180.529 177.584 0.389 0.000 1.188 154 A CA 2.119 54.212 52.037 0.094 0.000 0.631 154 A CB -1.170 17.878 19.000 0.079 0.000 0.822 154 A HN 0.610 nan 8.150 nan 0.000 0.447 155 A N -0.857 122.177 122.820 0.356 0.000 1.902 155 A HA -0.078 4.243 4.320 0.001 0.000 0.217 155 A C 2.417 180.101 177.584 0.167 0.000 1.181 155 A CA 2.032 54.272 52.037 0.339 0.000 0.623 155 A CB -0.996 18.108 19.000 0.174 0.000 0.818 155 A HN 0.455 nan 8.150 nan 0.000 0.443 156 S N -0.243 115.495 115.700 0.062 0.000 2.381 156 S HA -0.208 4.262 4.470 0.001 0.000 0.230 156 S C 1.608 176.215 174.600 0.011 0.000 1.052 156 S CA 1.796 60.005 58.200 0.015 0.000 1.068 156 S CB -0.557 62.623 63.200 -0.032 0.000 0.918 156 S HN 0.804 nan 8.310 nan 0.000 0.448 157 I N -2.688 117.877 120.570 -0.008 0.000 3.891 157 I HA 0.488 4.659 4.170 0.001 0.000 0.331 157 I C 0.986 177.116 176.117 0.022 0.000 1.406 157 I CA 0.432 61.736 61.300 0.006 0.000 1.139 157 I CB -0.138 37.849 38.000 -0.022 0.000 1.056 157 I HN 0.357 nan 8.210 nan 0.000 0.399 158 G N 0.660 109.504 108.800 0.073 0.000 2.168 158 G HA2 -0.258 3.703 3.960 0.001 0.000 0.197 158 G HA3 -0.258 3.703 3.960 0.001 0.000 0.197 158 G C -0.148 174.707 174.900 -0.076 0.000 0.997 158 G CA -0.451 44.650 45.100 0.001 0.000 0.658 158 G HN 0.445 nan 8.290 nan 0.000 0.513 159 Y N 1.421 121.748 120.300 0.045 0.000 2.597 159 Y HA 0.331 4.881 4.550 0.001 0.000 0.336 159 Y C 1.772 177.613 175.900 -0.098 0.000 1.216 159 Y CA 1.121 59.173 58.100 -0.080 0.000 1.463 159 Y CB 1.208 39.584 38.460 -0.140 0.000 1.303 159 Y HN 0.331 nan 8.280 nan 0.000 0.576 160 S N -0.221 115.430 115.700 -0.082 0.000 2.733 160 S HA 0.654 5.125 4.470 0.001 0.000 0.247 160 S C 0.025 174.521 174.600 -0.174 0.000 1.043 160 S CA -0.052 58.154 58.200 0.009 0.000 1.066 160 S CB 0.268 63.514 63.200 0.077 0.000 1.045 160 S HN 0.641 nan 8.310 nan 0.000 0.586 161 A N 1.082 123.576 122.820 -0.542 0.000 2.414 161 A HA 0.842 5.163 4.320 0.001 0.000 0.306 161 A C -1.492 175.564 177.584 -0.880 0.000 1.054 161 A CA -0.599 51.081 52.037 -0.595 0.000 0.724 161 A CB 1.061 19.674 19.000 -0.644 0.000 1.267 161 A HN 0.325 nan 8.150 nan 0.000 0.418 162 F N 1.023 120.894 119.950 -0.131 0.000 2.574 162 F HA 0.535 5.062 4.527 0.001 0.000 0.313 162 F C 0.061 175.755 175.800 -0.177 0.000 1.130 162 F CA -0.490 57.483 58.000 -0.046 0.000 0.936 162 F CB 2.477 41.367 39.000 -0.183 0.000 1.219 162 F HN 0.529 nan 8.300 nan 0.000 0.445 163 K N 5.315 125.811 120.400 0.161 0.000 2.292 163 K HA 0.743 5.063 4.320 0.001 0.000 0.257 163 K C -1.165 175.549 176.600 0.190 0.000 0.940 163 K CA -0.516 55.804 56.287 0.056 0.000 0.811 163 K CB 1.732 34.294 32.500 0.102 0.000 1.120 163 K HN 0.830 nan 8.250 nan 0.000 0.428 164 I N 0.124 120.749 120.570 0.092 0.000 2.846 164 I HA 0.531 4.701 4.170 0.001 0.000 0.307 164 I C -0.732 175.497 176.117 0.187 0.000 1.053 164 I CA -1.113 60.311 61.300 0.207 0.000 1.050 164 I CB 1.852 39.958 38.000 0.178 0.000 1.239 164 I HN 0.224 nan 8.210 nan 0.000 0.439 165 K N 3.915 124.468 120.400 0.255 0.000 2.201 165 K HA 0.573 4.893 4.320 0.001 0.000 0.278 165 K C -0.223 176.549 176.600 0.286 0.000 1.027 165 K CA -0.417 56.007 56.287 0.228 0.000 0.909 165 K CB 2.185 34.857 32.500 0.287 0.000 1.062 165 K HN 0.687 nan 8.250 nan 0.000 0.465 166 V N -2.239 117.782 119.914 0.179 0.000 3.165 166 V HA 0.891 5.011 4.120 0.001 0.000 0.307 166 V C 0.683 176.863 176.094 0.144 0.000 1.281 166 V CA -0.126 62.329 62.300 0.258 0.000 1.056 166 V CB 1.201 33.164 31.823 0.234 0.000 1.178 166 V HN 0.837 nan 8.190 nan 0.000 0.475 167 G N -0.924 108.027 108.800 0.252 0.000 2.154 167 G HA2 -0.145 3.815 3.960 0.001 0.000 0.186 167 G HA3 -0.145 3.815 3.960 0.001 0.000 0.186 167 G C 0.084 175.161 174.900 0.296 0.000 1.000 167 G CA 0.112 45.276 45.100 0.108 0.000 0.664 167 G HN 1.185 nan 8.290 nan 0.000 0.513 168 H N 0.445 119.834 119.070 0.531 0.000 3.064 168 H HA 0.114 4.670 4.556 0.001 0.000 0.329 168 H C 1.922 177.451 175.328 0.335 0.000 1.020 168 H CA 0.904 57.202 56.048 0.417 0.000 1.402 168 H CB 0.637 30.517 29.762 0.197 0.000 1.379 168 H HN 0.311 nan 8.280 nan 0.000 0.594 169 R N 1.153 121.861 120.500 0.347 0.000 2.133 169 R HA -0.174 4.167 4.340 0.001 0.000 0.247 169 R C 0.184 176.630 176.300 0.244 0.000 1.151 169 R CA 1.662 57.913 56.100 0.253 0.000 0.971 169 R CB -0.019 30.394 30.300 0.188 0.000 0.866 169 R HN 0.567 nan 8.270 nan 0.000 0.447 170 D N -0.464 120.088 120.400 0.254 0.000 2.396 170 D HA -0.027 4.613 4.640 0.001 0.000 0.225 170 D C 0.462 176.911 176.300 0.249 0.000 1.121 170 D CA -0.297 53.816 54.000 0.190 0.000 0.853 170 D CB 0.478 41.334 40.800 0.093 0.000 1.043 170 D HN -0.089 nan 8.370 nan 0.000 0.500 171 F N 3.361 123.367 119.950 0.093 0.000 2.250 171 F HA -0.157 4.370 4.527 0.001 0.000 0.301 171 F C 1.534 177.361 175.800 0.044 0.000 1.077 171 F CA 1.357 59.410 58.000 0.088 0.000 1.348 171 F CB 0.028 39.041 39.000 0.022 0.000 1.040 171 F HN 0.454 nan 8.300 nan 0.000 0.509 172 D N -0.132 120.223 120.400 -0.075 0.000 2.182 172 D HA -0.211 4.429 4.640 0.001 0.000 0.201 172 D C 2.389 178.545 176.300 -0.240 0.000 0.986 172 D CA 0.999 54.879 54.000 -0.201 0.000 0.847 172 D CB -0.256 40.482 40.800 -0.104 0.000 0.942 172 D HN 0.318 nan 8.370 nan 0.000 0.467 173 R N 0.722 121.095 120.500 -0.211 0.000 2.081 173 R HA -0.137 4.203 4.340 0.001 0.000 0.235 173 R C 1.548 177.659 176.300 -0.316 0.000 1.131 173 R CA 1.560 57.445 56.100 -0.359 0.000 0.960 173 R CB 0.102 30.024 30.300 -0.631 0.000 0.856 173 R HN -0.003 nan 8.270 nan 0.000 0.436 174 D N 0.438 120.758 120.400 -0.133 0.000 2.123 174 D HA -0.179 4.461 4.640 0.001 0.000 0.196 174 D C 1.915 178.059 176.300 -0.261 0.000 0.992 174 D CA 1.198 55.160 54.000 -0.064 0.000 0.833 174 D CB -0.187 40.718 40.800 0.176 0.000 0.954 174 D HN 0.287 nan 8.370 nan 0.000 0.455 175 L N 0.011 120.962 121.223 -0.452 0.000 2.141 175 L HA -0.089 4.252 4.340 0.001 0.000 0.209 175 L C 2.582 179.288 176.870 -0.274 0.000 1.094 175 L CA 0.765 55.366 54.840 -0.399 0.000 0.763 175 L CB -0.170 41.624 42.059 -0.442 0.000 0.908 175 L HN -0.069 nan 8.230 nan 0.000 0.437 176 R N -0.328 120.012 120.500 -0.267 0.000 2.075 176 R HA -0.105 4.235 4.340 0.001 0.000 0.232 176 R C 2.532 178.670 176.300 -0.270 0.000 1.126 176 R CA 1.041 57.001 56.100 -0.234 0.000 0.963 176 R CB 0.005 30.157 30.300 -0.246 0.000 0.858 176 R HN 0.129 nan 8.270 nan 0.000 0.435 177 R N 0.452 120.745 120.500 -0.345 0.000 2.091 177 R HA -0.142 4.198 4.340 0.001 0.000 0.238 177 R C 2.264 178.411 176.300 -0.254 0.000 1.136 177 R CA 1.277 57.105 56.100 -0.452 0.000 0.959 177 R CB -0.818 29.198 30.300 -0.473 0.000 0.856 177 R HN 0.317 nan 8.270 nan 0.000 0.437 178 L N 0.542 121.609 121.223 -0.260 0.000 2.027 178 L HA -0.155 4.185 4.340 0.001 0.000 0.206 178 L C 2.361 179.097 176.870 -0.223 0.000 1.074 178 L CA 1.392 56.027 54.840 -0.341 0.000 0.745 178 L CB -0.391 41.230 42.059 -0.731 0.000 0.898 178 L HN 0.197 nan 8.230 nan 0.000 0.433 179 E N 0.043 120.164 120.200 -0.133 0.000 2.058 179 E HA -0.247 4.103 4.350 0.001 0.000 0.194 179 E C 2.355 178.954 176.600 -0.002 0.000 0.997 179 E CA 1.159 57.576 56.400 0.029 0.000 0.801 179 E CB -0.157 29.546 29.700 0.005 0.000 0.746 179 E HN 0.391 nan 8.360 nan 0.000 0.450 180 L N 0.483 121.684 121.223 -0.036 0.000 2.012 180 L HA -0.223 4.117 4.340 0.001 0.000 0.210 180 L C 2.608 179.553 176.870 0.125 0.000 1.073 180 L CA 0.809 55.673 54.840 0.040 0.000 0.748 180 L CB -0.362 41.703 42.059 0.009 0.000 0.891 180 L HN 0.250 nan 8.230 nan 0.000 0.431 181 L N 0.536 121.846 121.223 0.145 0.000 2.042 181 L HA -0.258 4.083 4.340 0.001 0.000 0.210 181 L C 2.583 179.377 176.870 -0.128 0.000 1.076 181 L CA 1.943 56.759 54.840 -0.040 0.000 0.749 181 L CB -0.551 41.412 42.059 -0.159 0.000 0.893 181 L HN 0.158 nan 8.230 nan 0.000 0.432 182 K N -1.055 119.316 120.400 -0.048 0.000 2.147 182 K HA -0.166 4.154 4.320 0.001 0.000 0.205 182 K C 1.806 178.380 176.600 -0.044 0.000 1.049 182 K CA 1.692 57.960 56.287 -0.031 0.000 0.936 182 K CB -0.317 32.214 32.500 0.052 0.000 0.722 182 K HN 0.588 nan 8.250 nan 0.000 0.446 183 T N -1.815 112.722 114.554 -0.028 0.000 3.113 183 T HA -0.067 4.283 4.350 0.001 0.000 0.263 183 T C 1.702 176.375 174.700 -0.045 0.000 1.143 183 T CA 0.678 62.762 62.100 -0.026 0.000 1.090 183 T CB -0.753 68.110 68.868 -0.008 0.000 0.922 183 T HN 0.479 nan 8.240 nan 0.000 0.521 184 C N 0.325 119.572 119.300 -0.089 0.000 3.525 184 C HA 0.761 5.222 4.460 0.001 0.000 0.289 184 C C 0.273 175.150 174.990 -0.188 0.000 1.496 184 C CA -0.644 58.307 59.018 -0.111 0.000 1.804 184 C CB -0.919 26.771 27.740 -0.083 0.000 2.708 184 C HN 0.478 nan 8.230 nan 0.000 0.642 185 V N -2.782 116.993 119.914 -0.231 0.000 2.914 185 V HA 0.821 4.942 4.120 0.001 0.000 0.314 185 V C -2.986 173.055 176.094 -0.088 0.000 1.084 185 V CA -2.256 59.886 62.300 -0.263 0.000 0.963 185 V CB 0.855 32.271 31.823 -0.678 0.000 1.025 185 V HN -0.012 nan 8.190 nan 0.000 0.432 186 P HA 0.281 nan 4.420 nan 0.000 0.266 186 P C 0.036 177.357 177.300 0.035 0.000 1.193 186 P CA 0.441 63.563 63.100 0.036 0.000 0.770 186 P CB 0.241 31.990 31.700 0.082 0.000 0.836 187 A N 2.489 125.324 122.820 0.025 0.000 2.565 187 A HA 0.387 4.708 4.320 0.001 0.000 0.237 187 A C 1.524 179.134 177.584 0.044 0.000 1.053 187 A CA 0.702 52.754 52.037 0.024 0.000 0.755 187 A CB -1.299 17.710 19.000 0.015 0.000 0.980 187 A HN 0.952 nan 8.150 nan 0.000 0.506 188 G N 1.956 110.782 108.800 0.044 0.000 2.143 188 G HA2 -0.211 3.749 3.960 0.001 0.000 0.249 188 G HA3 -0.211 3.749 3.960 0.001 0.000 0.249 188 G C 0.512 175.460 174.900 0.079 0.000 0.981 188 G CA 0.397 45.530 45.100 0.054 0.000 0.665 188 G HN 1.211 nan 8.290 nan 0.000 0.528 189 S N 0.106 115.872 115.700 0.111 0.000 2.566 189 S HA 0.352 4.823 4.470 0.001 0.000 0.280 189 S C 0.726 175.390 174.600 0.107 0.000 1.343 189 S CA 0.260 58.565 58.200 0.176 0.000 1.036 189 S CB 0.826 64.216 63.200 0.316 0.000 0.866 189 S HN 0.494 nan 8.310 nan 0.000 0.526 190 K N 1.337 121.765 120.400 0.048 0.000 2.205 190 K HA 0.518 4.839 4.320 0.001 0.000 0.279 190 K C -1.035 175.478 176.600 -0.146 0.000 1.027 190 K CA -0.367 55.864 56.287 -0.094 0.000 0.932 190 K CB 1.010 33.386 32.500 -0.206 0.000 1.032 190 K HN 0.257 nan 8.250 nan 0.000 0.466 191 V N 4.155 123.954 119.914 -0.192 0.000 2.588 191 V HA 0.432 4.553 4.120 0.001 0.000 0.304 191 V C -0.945 174.934 176.094 -0.358 0.000 1.042 191 V CA -0.962 61.215 62.300 -0.206 0.000 0.877 191 V CB 1.638 33.411 31.823 -0.083 0.000 0.996 191 V HN 0.678 nan 8.190 nan 0.000 0.425 192 M N 5.819 125.148 119.600 -0.453 0.000 2.535 192 M HA 0.702 5.183 4.480 0.001 0.000 0.314 192 M C -0.580 175.588 176.300 -0.220 0.000 1.153 192 M CA -0.362 54.625 55.300 -0.523 0.000 0.924 192 M CB 1.805 33.746 32.600 -1.098 0.000 1.710 192 M HN 0.644 nan 8.290 nan 0.000 0.451 193 I N -1.787 118.732 120.570 -0.084 0.000 2.603 193 I HA 0.816 4.987 4.170 0.001 0.000 0.300 193 I C -1.134 175.002 176.117 0.032 0.000 1.017 193 I CA -0.546 60.760 61.300 0.009 0.000 1.098 193 I CB 2.112 40.159 38.000 0.078 0.000 1.279 193 I HN 0.522 nan 8.210 nan 0.000 0.437 194 D N 5.658 126.063 120.400 0.009 0.000 2.389 194 D HA 0.407 5.048 4.640 0.001 0.000 0.256 194 D C -2.247 173.966 176.300 -0.146 0.000 1.239 194 D CA -2.026 51.960 54.000 -0.023 0.000 0.925 194 D CB 2.187 43.017 40.800 0.050 0.000 1.145 194 D HN 0.268 nan 8.370 nan 0.000 0.542 195 P HA 0.027 nan 4.420 nan 0.000 0.233 195 P C 0.029 177.083 177.300 -0.409 0.000 1.167 195 P CA 0.086 62.827 63.100 -0.599 0.000 0.770 195 P CB 0.132 31.078 31.700 -1.256 0.000 0.837 196 N N 0.893 119.456 118.700 -0.228 0.000 2.705 196 N HA -0.207 4.533 4.740 0.001 0.000 0.255 196 N C -0.361 175.079 175.510 -0.116 0.000 1.008 196 N CA 1.212 54.201 53.050 -0.101 0.000 0.742 196 N CB -0.988 37.453 38.487 -0.076 0.000 0.906 196 N HN 0.334 nan 8.380 nan 0.000 0.541 197 E N -4.154 115.966 120.200 -0.134 0.000 3.628 197 E HA -0.303 4.047 4.350 0.001 0.000 0.309 197 E C 0.915 177.448 176.600 -0.113 0.000 0.839 197 E CA 0.842 57.188 56.400 -0.090 0.000 1.123 197 E CB -1.554 28.120 29.700 -0.043 0.000 1.568 197 E HN 0.627 nan 8.360 nan 0.000 0.440 198 A N -0.135 122.544 122.820 -0.236 0.000 2.070 198 A HA -0.104 4.216 4.320 0.001 0.000 0.220 198 A C 0.603 178.242 177.584 0.092 0.000 1.159 198 A CA 0.898 52.839 52.037 -0.160 0.000 0.656 198 A CB -0.144 18.684 19.000 -0.287 0.000 0.800 198 A HN 0.322 nan 8.150 nan 0.000 0.453 199 W N 0.056 121.351 121.300 -0.009 0.000 2.578 199 W HA 0.509 5.169 4.660 0.001 0.000 0.346 199 W C 0.414 176.923 176.519 -0.016 0.000 1.075 199 W CA -0.718 56.619 57.345 -0.013 0.000 1.233 199 W CB 0.202 29.654 29.460 -0.013 0.000 1.358 199 W HN 0.138 nan 8.180 nan 0.000 0.574 200 T N -1.928 112.750 114.554 0.207 0.000 2.874 200 T HA 0.225 4.575 4.350 0.001 0.000 0.281 200 T C 1.356 176.112 174.700 0.094 0.000 0.994 200 T CA 0.034 62.199 62.100 0.109 0.000 1.015 200 T CB 1.258 70.159 68.868 0.054 0.000 1.028 200 T HN 0.381 nan 8.240 nan 0.000 0.523 201 S N 0.780 116.517 115.700 0.061 0.000 2.359 201 S HA -0.213 4.257 4.470 0.001 0.000 0.224 201 S C 1.906 176.518 174.600 0.020 0.000 1.035 201 S CA 1.247 59.477 58.200 0.049 0.000 1.018 201 S CB -0.671 62.548 63.200 0.032 0.000 0.876 201 S HN 0.698 nan 8.310 nan 0.000 0.448 202 K N 1.645 122.043 120.400 -0.004 0.000 2.155 202 K HA 0.094 4.415 4.320 0.001 0.000 0.203 202 K C 2.194 178.744 176.600 -0.084 0.000 1.052 202 K CA 1.488 57.758 56.287 -0.029 0.000 0.948 202 K CB -0.582 31.905 32.500 -0.022 0.000 0.728 202 K HN 0.656 nan 8.250 nan 0.000 0.448 203 E N -0.225 119.906 120.200 -0.114 0.000 2.058 203 E HA -0.229 4.122 4.350 0.001 0.000 0.194 203 E C 1.753 178.102 176.600 -0.418 0.000 0.997 203 E CA 1.281 57.525 56.400 -0.260 0.000 0.801 203 E CB -0.212 29.352 29.700 -0.226 0.000 0.746 203 E HN 0.343 nan 8.360 nan 0.000 0.450 204 A N 1.338 124.044 122.820 -0.190 0.000 1.873 204 A HA -0.222 4.099 4.320 0.001 0.000 0.218 204 A C 2.174 179.692 177.584 -0.110 0.000 1.193 204 A CA 1.670 53.674 52.037 -0.055 0.000 0.629 204 A CB -0.844 18.351 19.000 0.325 0.000 0.826 204 A HN 0.409 nan 8.150 nan 0.000 0.447 205 L N 0.535 121.734 121.223 -0.040 0.000 2.046 205 L HA -0.119 4.222 4.340 0.001 0.000 0.208 205 L C 2.745 179.620 176.870 0.008 0.000 1.077 205 L CA 3.055 57.908 54.840 0.022 0.000 0.747 205 L CB -1.289 40.791 42.059 0.035 0.000 0.896 205 L HN 0.623 nan 8.230 nan 0.000 0.432 206 T N -3.867 110.621 114.554 -0.111 0.000 2.904 206 T HA -0.161 4.190 4.350 0.001 0.000 0.267 206 T C 1.918 176.480 174.700 -0.229 0.000 1.059 206 T CA 1.159 63.178 62.100 -0.135 0.000 1.137 206 T CB -0.332 68.435 68.868 -0.168 0.000 0.879 206 T HN 0.337 nan 8.240 nan 0.000 0.467 207 K N 0.877 120.996 120.400 -0.468 0.000 2.057 207 K HA 0.134 4.455 4.320 0.001 0.000 0.206 207 K C 2.309 178.862 176.600 -0.077 0.000 1.050 207 K CA 1.183 57.097 56.287 -0.621 0.000 0.935 207 K CB -0.455 31.201 32.500 -1.407 0.000 0.715 207 K HN 0.325 nan 8.250 nan 0.000 0.439 208 L N 0.713 121.964 121.223 0.047 0.000 2.079 208 L HA -0.206 4.134 4.340 0.001 0.000 0.210 208 L C 2.340 179.434 176.870 0.373 0.000 1.081 208 L CA 0.899 55.939 54.840 0.333 0.000 0.752 208 L CB -0.509 41.795 42.059 0.408 0.000 0.896 208 L HN -0.004 nan 8.230 nan 0.000 0.433 209 V N -0.050 120.012 119.914 0.246 0.000 2.307 209 V HA -0.279 3.841 4.120 0.001 0.000 0.245 209 V C 2.747 178.830 176.094 -0.018 0.000 1.045 209 V CA 1.809 64.121 62.300 0.020 0.000 1.024 209 V CB -0.844 30.981 31.823 0.003 0.000 0.651 209 V HN 0.482 nan 8.190 nan 0.000 0.449 210 A N -0.055 122.801 122.820 0.061 0.000 1.902 210 A HA -0.186 4.135 4.320 0.001 0.000 0.217 210 A C 2.169 179.850 177.584 0.162 0.000 1.181 210 A CA 1.957 54.067 52.037 0.122 0.000 0.623 210 A CB -0.587 18.562 19.000 0.249 0.000 0.818 210 A HN 0.502 nan 8.150 nan 0.000 0.443 211 I N -0.807 119.910 120.570 0.244 0.000 2.264 211 I HA -0.278 3.892 4.170 0.001 0.000 0.248 211 I C 2.687 178.908 176.117 0.174 0.000 1.111 211 I CA 1.837 63.291 61.300 0.258 0.000 1.382 211 I CB -0.243 37.940 38.000 0.305 0.000 1.060 211 I HN 0.417 nan 8.210 nan 0.000 0.418 212 R N 1.214 121.747 120.500 0.055 0.000 2.075 212 R HA -0.166 4.174 4.340 0.001 0.000 0.232 212 R C 2.060 178.286 176.300 -0.123 0.000 1.126 212 R CA 1.525 57.567 56.100 -0.097 0.000 0.963 212 R CB -0.156 29.867 30.300 -0.461 0.000 0.858 212 R HN 0.331 nan 8.270 nan 0.000 0.435 213 E N -0.183 119.947 120.200 -0.116 0.000 2.204 213 E HA -0.133 4.218 4.350 0.001 0.000 0.195 213 E C 1.476 178.030 176.600 -0.076 0.000 0.990 213 E CA 0.982 57.320 56.400 -0.103 0.000 0.821 213 E CB 0.044 29.693 29.700 -0.084 0.000 0.750 213 E HN 0.503 nan 8.360 nan 0.000 0.477 214 A N -0.102 122.694 122.820 -0.041 0.000 2.238 214 A HA 0.248 4.569 4.320 0.001 0.000 0.208 214 A C 1.618 179.039 177.584 -0.271 0.000 1.177 214 A CA 0.800 52.790 52.037 -0.077 0.000 0.804 214 A CB -0.123 18.911 19.000 0.057 0.000 0.823 214 A HN 0.320 nan 8.150 nan 0.000 0.482 215 G N -1.102 107.558 108.800 -0.233 0.000 2.144 215 G HA2 -0.173 3.787 3.960 0.001 0.000 0.218 215 G HA3 -0.173 3.787 3.960 0.001 0.000 0.218 215 G C -0.129 174.578 174.900 -0.322 0.000 0.988 215 G CA 0.095 45.025 45.100 -0.284 0.000 0.659 215 G HN 0.683 nan 8.290 nan 0.000 0.522 216 H N 1.107 120.170 119.070 -0.011 0.000 2.556 216 H HA 0.456 5.012 4.556 0.001 0.000 0.310 216 H C -0.925 174.424 175.328 0.035 0.000 1.057 216 H CA -0.566 55.486 56.048 0.007 0.000 1.264 216 H CB 1.239 31.009 29.762 0.014 0.000 1.404 216 H HN 0.136 nan 8.280 nan 0.000 0.462 217 D N 3.935 124.412 120.400 0.128 0.000 2.280 217 D HA 0.246 4.886 4.640 0.001 0.000 0.243 217 D C 0.072 176.437 176.300 0.108 0.000 1.129 217 D CA -0.317 53.754 54.000 0.119 0.000 0.848 217 D CB 1.244 42.091 40.800 0.078 0.000 1.107 217 D HN 0.329 nan 8.370 nan 0.000 0.471 218 L N 3.015 124.322 121.223 0.140 0.000 2.307 218 L HA 0.256 4.597 4.340 0.001 0.000 0.284 218 L C 1.159 178.046 176.870 0.028 0.000 1.023 218 L CA -0.878 54.000 54.840 0.064 0.000 0.810 218 L CB 1.708 43.834 42.059 0.111 0.000 1.231 218 L HN 0.265 nan 8.230 nan 0.000 0.423 219 L N 3.582 124.741 121.223 -0.107 0.000 2.027 219 L HA 0.007 4.347 4.340 0.001 0.000 0.206 219 L C -0.083 176.795 176.870 0.015 0.000 1.074 219 L CA 1.680 56.444 54.840 -0.127 0.000 0.745 219 L CB -0.046 41.774 42.059 -0.397 0.000 0.898 219 L HN 0.748 nan 8.230 nan 0.000 0.433 220 W N -3.256 117.969 121.300 -0.124 0.000 3.153 220 W HA 0.584 5.245 4.660 0.001 0.000 0.316 220 W C -1.990 174.480 176.519 -0.083 0.000 1.255 220 W CA -1.741 55.538 57.345 -0.110 0.000 1.192 220 W CB 0.139 29.514 29.460 -0.142 0.000 1.400 220 W HN -0.329 nan 8.180 nan 0.000 0.568 221 V N 2.158 122.268 119.914 0.327 0.000 2.417 221 V HA 0.442 4.563 4.120 0.001 0.000 0.291 221 V C -0.430 175.802 176.094 0.230 0.000 1.024 221 V CA -0.750 61.695 62.300 0.242 0.000 0.861 221 V CB 1.192 33.123 31.823 0.179 0.000 0.985 221 V HN 0.634 nan 8.190 nan 0.000 0.436 222 E N 2.852 123.174 120.200 0.203 0.000 2.166 222 E HA 0.293 4.643 4.350 0.001 0.000 0.275 222 E C -0.709 175.888 176.600 -0.006 0.000 0.941 222 E CA -0.567 55.883 56.400 0.083 0.000 0.784 222 E CB 0.851 30.662 29.700 0.184 0.000 1.115 222 E HN 0.789 nan 8.360 nan 0.000 0.399 223 D N 4.544 124.919 120.400 -0.041 0.000 2.755 223 D HA -0.155 4.485 4.640 0.001 0.000 0.227 223 D C -1.806 174.459 176.300 -0.059 0.000 1.211 223 D CA 0.227 54.204 54.000 -0.039 0.000 0.663 223 D CB -0.474 40.311 40.800 -0.026 0.000 0.983 223 D HN 0.454 nan 8.370 nan 0.000 0.407 224 P HA -0.027 nan 4.420 nan 0.000 0.225 224 P C 0.997 178.295 177.300 -0.002 0.000 1.156 224 P CA 0.885 63.954 63.100 -0.052 0.000 0.787 224 P CB 0.212 31.996 31.700 0.140 0.000 0.802 225 I N -6.226 114.360 120.570 0.026 0.000 3.102 225 I HA 0.399 4.570 4.170 0.001 0.000 0.310 225 I C -0.804 175.321 176.117 0.014 0.000 1.246 225 I CA -2.085 59.245 61.300 0.050 0.000 0.979 225 I CB 1.235 39.286 38.000 0.086 0.000 1.267 225 I HN -0.415 nan 8.210 nan 0.000 0.451 226 L N 3.758 124.986 121.223 0.008 0.000 2.822 226 L HA -0.089 4.252 4.340 0.001 0.000 0.288 226 L C 1.973 178.818 176.870 -0.041 0.000 1.182 226 L CA 0.963 55.791 54.840 -0.020 0.000 0.936 226 L CB -0.098 41.963 42.059 0.003 0.000 1.269 226 L HN 0.874 nan 8.230 nan 0.000 0.476 227 R N 2.966 123.395 120.500 -0.118 0.000 2.241 227 R HA -0.129 4.212 4.340 0.001 0.000 0.224 227 R C 0.648 176.851 176.300 -0.162 0.000 1.101 227 R CA 1.352 57.366 56.100 -0.143 0.000 0.995 227 R CB -0.394 29.785 30.300 -0.202 0.000 0.870 227 R HN 0.738 nan 8.270 nan 0.000 0.463 228 H N 0.290 119.343 119.070 -0.029 0.000 2.539 228 H HA 0.070 4.627 4.556 0.001 0.000 0.267 228 H C -0.201 174.961 175.328 -0.278 0.000 0.982 228 H CA 0.124 56.057 56.048 -0.191 0.000 1.146 228 H CB 0.016 29.688 29.762 -0.151 0.000 1.382 228 H HN 0.223 nan 8.280 nan 0.000 0.577 229 D N 0.476 120.870 120.400 -0.011 0.000 2.558 229 D HA 0.002 4.642 4.640 0.001 0.000 0.221 229 D C 1.000 177.352 176.300 0.086 0.000 1.143 229 D CA -0.008 53.995 54.000 0.006 0.000 1.010 229 D CB -0.403 40.413 40.800 0.026 0.000 1.068 229 D HN 0.419 nan 8.370 nan 0.000 0.511 230 H N 0.556 119.642 119.070 0.028 0.000 2.357 230 H HA -0.099 4.457 4.556 0.001 0.000 0.301 230 H C 1.369 176.692 175.328 -0.007 0.000 1.082 230 H CA 0.980 57.033 56.048 0.008 0.000 1.342 230 H CB 0.446 30.218 29.762 0.016 0.000 1.389 230 H HN 0.384 nan 8.280 nan 0.000 0.511 231 D N 0.145 120.619 120.400 0.124 0.000 2.104 231 D HA -0.131 4.510 4.640 0.001 0.000 0.194 231 D C 2.518 178.833 176.300 0.025 0.000 0.994 231 D CA 1.477 55.513 54.000 0.061 0.000 0.830 231 D CB -0.440 40.388 40.800 0.047 0.000 0.959 231 D HN 0.345 nan 8.370 nan 0.000 0.452 232 G N -0.019 108.799 108.800 0.030 0.000 2.432 232 G HA2 -0.192 3.769 3.960 0.001 0.000 0.219 232 G HA3 -0.192 3.769 3.960 0.001 0.000 0.219 232 G C 1.719 176.617 174.900 -0.005 0.000 1.135 232 G CA 0.608 45.717 45.100 0.015 0.000 0.767 232 G HN 0.340 nan 8.290 nan 0.000 0.550 233 L N -0.597 120.631 121.223 0.008 0.000 2.109 233 L HA 0.049 4.390 4.340 0.001 0.000 0.207 233 L C 3.129 179.936 176.870 -0.106 0.000 1.086 233 L CA 0.704 55.531 54.840 -0.023 0.000 0.760 233 L CB -0.250 41.813 42.059 0.007 0.000 0.910 233 L HN 0.117 nan 8.230 nan 0.000 0.437 234 R N -0.674 119.742 120.500 -0.140 0.000 2.073 234 R HA -0.137 4.204 4.340 0.001 0.000 0.234 234 R C 2.287 178.275 176.300 -0.519 0.000 1.134 234 R CA 1.967 57.852 56.100 -0.359 0.000 0.952 234 R CB -0.592 29.551 30.300 -0.262 0.000 0.850 234 R HN 0.312 nan 8.270 nan 0.000 0.433 235 T N 1.718 116.134 114.554 -0.232 0.000 2.699 235 T HA -0.160 4.191 4.350 0.001 0.000 0.268 235 T C 1.850 176.488 174.700 -0.103 0.000 1.036 235 T CA 1.262 63.291 62.100 -0.117 0.000 1.147 235 T CB -0.212 68.639 68.868 -0.027 0.000 0.862 235 T HN 0.145 nan 8.240 nan 0.000 0.446 236 L N 0.129 121.290 121.223 -0.103 0.000 2.046 236 L HA -0.080 4.261 4.340 0.001 0.000 0.208 236 L C 3.044 179.833 176.870 -0.136 0.000 1.077 236 L CA 1.302 56.085 54.840 -0.095 0.000 0.747 236 L CB -0.486 41.537 42.059 -0.060 0.000 0.896 236 L HN 0.127 nan 8.230 nan 0.000 0.432 237 R N -0.511 119.884 120.500 -0.175 0.000 2.081 237 R HA -0.147 4.194 4.340 0.001 0.000 0.235 237 R C 2.160 178.442 176.300 -0.030 0.000 1.131 237 R CA 1.595 57.611 56.100 -0.140 0.000 0.960 237 R CB -0.430 29.768 30.300 -0.169 0.000 0.856 237 R HN 0.589 nan 8.270 nan 0.000 0.436 238 H N -1.227 117.812 119.070 -0.052 0.000 2.436 238 H HA 0.063 4.619 4.556 0.001 0.000 0.294 238 H C 1.807 177.108 175.328 -0.046 0.000 1.048 238 H CA 0.656 56.679 56.048 -0.041 0.000 1.353 238 H CB 0.265 30.014 29.762 -0.021 0.000 1.414 238 H HN 0.248 nan 8.280 nan 0.000 0.536 239 A N 0.877 123.723 122.820 0.044 0.000 2.063 239 A HA 0.126 4.447 4.320 0.001 0.000 0.211 239 A C 1.001 178.522 177.584 -0.105 0.000 1.177 239 A CA 0.042 52.092 52.037 0.023 0.000 0.759 239 A CB 0.287 19.314 19.000 0.044 0.000 0.857 239 A HN 0.082 nan 8.150 nan 0.000 0.468 240 V N 2.689 122.406 119.914 -0.328 0.000 2.313 240 V HA 0.108 4.229 4.120 0.001 0.000 0.252 240 V C 1.447 177.155 176.094 -0.643 0.000 1.112 240 V CA 0.839 62.593 62.300 -0.911 0.000 0.984 240 V CB -0.157 31.207 31.823 -0.765 0.000 1.157 240 V HN 0.637 nan 8.190 nan 0.000 0.493 241 T N -0.624 113.693 114.554 -0.395 0.000 3.081 241 T HA -0.045 4.306 4.350 0.001 0.000 0.250 241 T C 0.996 175.725 174.700 0.048 0.000 1.100 241 T CA 0.274 62.345 62.100 -0.048 0.000 1.038 241 T CB -0.216 68.743 68.868 0.152 0.000 0.962 241 T HN 0.804 nan 8.240 nan 0.000 0.516 242 W N 0.808 122.138 121.300 0.051 0.000 3.177 242 W HA 0.649 5.310 4.660 0.001 0.000 0.309 242 W C 0.361 176.916 176.519 0.060 0.000 1.224 242 W CA -0.287 57.088 57.345 0.050 0.000 1.718 242 W CB 0.025 29.512 29.460 0.045 0.000 1.078 242 W HN 0.146 nan 8.180 nan 0.000 0.618 243 T N 0.466 114.847 114.554 -0.288 0.000 2.762 243 T HA 0.322 4.673 4.350 0.001 0.000 0.301 243 T C -1.486 173.145 174.700 -0.116 0.000 1.299 243 T CA -0.604 61.432 62.100 -0.107 0.000 1.005 243 T CB 1.611 70.464 68.868 -0.026 0.000 1.377 243 T HN -0.004 nan 8.240 nan 0.000 0.504 244 Q N 1.325 121.131 119.800 0.011 0.000 2.245 244 Q HA 0.551 4.892 4.340 0.001 0.000 0.256 244 Q C -0.591 175.416 176.000 0.012 0.000 0.942 244 Q CA -0.952 54.861 55.803 0.016 0.000 0.896 244 Q CB 1.452 30.240 28.738 0.084 0.000 1.272 244 Q HN 0.451 nan 8.270 nan 0.000 0.442 245 I N 2.695 123.233 120.570 -0.052 0.000 2.297 245 I HA 0.188 4.359 4.170 0.001 0.000 0.291 245 I C -0.225 175.815 176.117 -0.127 0.000 1.033 245 I CA -0.425 60.838 61.300 -0.062 0.000 1.253 245 I CB 0.369 38.326 38.000 -0.072 0.000 1.396 245 I HN 0.549 nan 8.210 nan 0.000 0.476 246 N N 4.616 123.205 118.700 -0.184 0.000 2.419 246 N HA 0.337 5.078 4.740 0.001 0.000 0.277 246 N C -1.174 174.196 175.510 -0.234 0.000 1.006 246 N CA 0.156 52.984 53.050 -0.370 0.000 0.923 246 N CB 1.605 39.578 38.487 -0.857 0.000 1.140 246 N HN 0.552 nan 8.380 nan 0.000 0.488 247 S N 1.033 116.609 115.700 -0.207 0.000 2.564 247 S HA 0.761 5.232 4.470 0.001 0.000 0.274 247 S C 0.217 174.743 174.600 -0.124 0.000 1.124 247 S CA 0.233 58.354 58.200 -0.131 0.000 0.869 247 S CB 1.205 64.350 63.200 -0.091 0.000 1.105 247 S HN 0.777 nan 8.310 nan 0.000 0.472 248 G N 1.798 110.544 108.800 -0.090 0.000 2.559 248 G HA2 -0.082 3.878 3.960 0.001 0.000 0.202 248 G HA3 -0.082 3.878 3.960 0.001 0.000 0.202 248 G C -0.295 174.565 174.900 -0.067 0.000 0.992 248 G CA -0.169 44.892 45.100 -0.065 0.000 0.764 248 G HN 0.669 nan 8.290 nan 0.000 0.525 249 E N 0.019 120.140 120.200 -0.132 0.000 2.413 249 E HA 0.428 4.778 4.350 0.001 0.000 0.263 249 E C 0.847 177.307 176.600 -0.233 0.000 1.015 249 E CA 0.436 56.642 56.400 -0.323 0.000 0.916 249 E CB -0.122 29.217 29.700 -0.602 0.000 0.947 249 E HN 0.602 nan 8.360 nan 0.000 0.440 250 Y N -0.039 120.290 120.300 0.047 0.000 4.929 250 Y HA -0.280 4.270 4.550 0.001 0.000 0.252 250 Y C -0.178 175.741 175.900 0.031 0.000 0.950 250 Y CA -0.089 58.030 58.100 0.032 0.000 1.935 250 Y CB -1.696 36.764 38.460 0.000 0.000 1.440 250 Y HN 0.351 nan 8.280 nan 0.000 0.567 251 L N 1.984 123.276 121.223 0.115 0.000 2.325 251 L HA 0.410 4.750 4.340 0.001 0.000 0.278 251 L C 0.434 177.359 176.870 0.093 0.000 1.023 251 L CA -0.968 53.935 54.840 0.104 0.000 0.811 251 L CB 0.989 43.092 42.059 0.074 0.000 1.249 251 L HN 0.054 nan 8.230 nan 0.000 0.431 252 D N 1.312 121.764 120.400 0.086 0.000 2.447 252 D HA 0.070 4.710 4.640 0.001 0.000 0.265 252 D C 1.116 177.455 176.300 0.065 0.000 1.250 252 D CA -0.555 53.484 54.000 0.065 0.000 1.046 252 D CB 0.778 41.593 40.800 0.026 0.000 1.095 252 D HN 0.342 nan 8.370 nan 0.000 0.555 253 L N -0.783 120.479 121.223 0.065 0.000 2.013 253 L HA -0.288 4.053 4.340 0.001 0.000 0.212 253 L C 2.240 179.144 176.870 0.057 0.000 1.073 253 L CA 1.923 56.807 54.840 0.074 0.000 0.753 253 L CB -0.349 41.765 42.059 0.093 0.000 0.890 253 L HN 0.358 nan 8.230 nan 0.000 0.432 254 Q N -0.541 119.287 119.800 0.046 0.000 2.084 254 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 254 Q C 2.058 178.087 176.000 0.048 0.000 0.978 254 Q CA 1.629 57.457 55.803 0.042 0.000 0.844 254 Q CB -0.811 27.945 28.738 0.030 0.000 0.898 254 Q HN 0.575 nan 8.270 nan 0.000 0.426 255 G N 0.737 109.575 108.800 0.063 0.000 2.408 255 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 255 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 255 G C 1.187 176.124 174.900 0.062 0.000 1.150 255 G CA 0.572 45.725 45.100 0.088 0.000 0.776 255 G HN 0.246 nan 8.290 nan 0.000 0.542 256 K N 0.123 120.547 120.400 0.041 0.000 2.026 256 K HA -0.060 4.261 4.320 0.001 0.000 0.208 256 K C 2.504 179.094 176.600 -0.016 0.000 1.048 256 K CA 0.912 57.205 56.287 0.009 0.000 0.929 256 K CB -0.212 32.297 32.500 0.014 0.000 0.713 256 K HN 0.190 nan 8.250 nan 0.000 0.439 257 R N 1.458 121.958 120.500 0.000 0.000 2.083 257 R HA -0.112 4.228 4.340 0.001 0.000 0.237 257 R C 2.351 178.625 176.300 -0.044 0.000 1.137 257 R CA 1.213 57.303 56.100 -0.017 0.000 0.951 257 R CB -0.289 30.018 30.300 0.012 0.000 0.851 257 R HN 0.128 nan 8.270 nan 0.000 0.434 258 L N 0.606 121.819 121.223 -0.016 0.000 2.083 258 L HA -0.189 4.151 4.340 0.001 0.000 0.209 258 L C 2.459 179.260 176.870 -0.115 0.000 1.083 258 L CA 0.566 55.392 54.840 -0.023 0.000 0.752 258 L CB -0.349 41.745 42.059 0.058 0.000 0.899 258 L HN 0.264 nan 8.230 nan 0.000 0.433 259 L N -0.330 120.825 121.223 -0.114 0.000 2.046 259 L HA -0.216 4.124 4.340 0.001 0.000 0.208 259 L C 2.314 179.026 176.870 -0.263 0.000 1.077 259 L CA 1.698 56.396 54.840 -0.236 0.000 0.747 259 L CB -0.292 41.702 42.059 -0.110 0.000 0.896 259 L HN 0.115 nan 8.230 nan 0.000 0.432 260 L N -0.941 120.169 121.223 -0.189 0.000 2.046 260 L HA -0.223 4.118 4.340 0.001 0.000 0.208 260 L C 2.454 179.127 176.870 -0.329 0.000 1.077 260 L CA 1.513 56.229 54.840 -0.207 0.000 0.747 260 L CB -0.656 41.315 42.059 -0.147 0.000 0.896 260 L HN 0.332 nan 8.230 nan 0.000 0.432 261 E N 0.159 120.183 120.200 -0.294 0.000 2.204 261 E HA -0.175 4.176 4.350 0.001 0.000 0.195 261 E C 2.027 178.318 176.600 -0.516 0.000 0.990 261 E CA 1.009 57.196 56.400 -0.355 0.000 0.821 261 E CB -0.103 29.490 29.700 -0.178 0.000 0.750 261 E HN 0.485 nan 8.360 nan 0.000 0.477 262 A N 0.397 122.965 122.820 -0.419 0.000 2.238 262 A HA -0.063 4.258 4.320 0.001 0.000 0.208 262 A C -0.125 177.315 177.584 -0.241 0.000 1.177 262 A CA 0.145 51.986 52.037 -0.327 0.000 0.804 262 A CB -0.295 18.402 19.000 -0.505 0.000 0.823 262 A HN 0.337 nan 8.150 nan 0.000 0.482 263 H N -2.581 116.418 119.070 -0.118 0.000 2.791 263 H HA -0.221 4.336 4.556 0.001 0.000 0.302 263 H C 0.960 176.226 175.328 -0.105 0.000 1.198 263 H CA 0.781 56.780 56.048 -0.081 0.000 1.145 263 H CB -1.830 27.920 29.762 -0.021 0.000 1.385 263 H HN 0.663 nan 8.280 nan 0.000 0.409 264 A N -0.598 122.160 122.820 -0.104 0.000 2.465 264 A HA 0.649 4.970 4.320 0.001 0.000 0.255 264 A C 1.080 178.606 177.584 -0.098 0.000 1.274 264 A CA 0.615 52.581 52.037 -0.118 0.000 0.920 264 A CB 0.501 19.371 19.000 -0.217 0.000 1.033 264 A HN 0.644 nan 8.150 nan 0.000 0.516 265 A N -0.613 122.154 122.820 -0.088 0.000 2.459 265 A HA 0.564 4.885 4.320 0.001 0.000 0.296 265 A C -0.306 177.231 177.584 -0.079 0.000 1.039 265 A CA -0.405 51.575 52.037 -0.095 0.000 0.698 265 A CB 0.854 19.787 19.000 -0.113 0.000 1.261 265 A HN 0.029 nan 8.150 nan 0.000 0.405 266 D N 0.838 121.186 120.400 -0.087 0.000 2.194 266 D HA 0.104 4.745 4.640 0.001 0.000 0.204 266 D C 0.254 176.494 176.300 -0.099 0.000 0.964 266 D CA 1.684 55.641 54.000 -0.072 0.000 0.846 266 D CB 0.294 41.056 40.800 -0.062 0.000 0.962 266 D HN 0.587 nan 8.370 nan 0.000 0.490 267 I N 0.733 121.206 120.570 -0.163 0.000 2.582 267 I HA 0.195 4.366 4.170 0.001 0.000 0.292 267 I C -0.997 174.980 176.117 -0.233 0.000 1.066 267 I CA -1.090 60.078 61.300 -0.222 0.000 1.053 267 I CB 2.979 40.744 38.000 -0.392 0.000 1.241 267 I HN -0.254 nan 8.210 nan 0.000 0.421 268 L N 6.275 127.383 121.223 -0.190 0.000 2.264 268 L HA 0.443 4.784 4.340 0.001 0.000 0.289 268 L C -0.329 176.425 176.870 -0.194 0.000 1.044 268 L CA -0.027 54.713 54.840 -0.166 0.000 0.807 268 L CB 0.596 42.587 42.059 -0.112 0.000 1.192 268 L HN 0.689 nan 8.230 nan 0.000 0.425 269 N N 4.533 123.108 118.700 -0.208 0.000 2.518 269 N HA 0.554 5.295 4.740 0.001 0.000 0.283 269 N C -0.610 174.809 175.510 -0.153 0.000 1.119 269 N CA -0.474 52.450 53.050 -0.209 0.000 0.983 269 N CB 1.697 40.050 38.487 -0.223 0.000 1.139 269 N HN 0.463 nan 8.380 nan 0.000 0.465 270 V N -2.263 117.544 119.914 -0.178 0.000 3.167 270 V HA 0.610 4.730 4.120 0.001 0.000 0.310 270 V C -0.575 175.355 176.094 -0.274 0.000 1.207 270 V CA -0.722 61.508 62.300 -0.116 0.000 1.059 270 V CB 1.847 33.650 31.823 -0.034 0.000 1.079 270 V HN 0.840 nan 8.190 nan 0.000 0.446 271 H N 1.132 120.217 119.070 0.025 0.000 3.811 271 H HA 0.558 5.115 4.556 0.001 0.000 0.294 271 H C 0.983 176.345 175.328 0.055 0.000 1.558 271 H CA 0.146 56.218 56.048 0.042 0.000 1.457 271 H CB 1.370 31.159 29.762 0.045 0.000 0.762 271 H HN 0.926 nan 8.280 nan 0.000 0.758 272 G N 0.245 109.185 108.800 0.234 0.000 3.502 272 G HA2 0.044 4.004 3.960 0.001 0.000 0.267 272 G HA3 0.044 4.004 3.960 0.001 0.000 0.267 272 G C -0.403 174.574 174.900 0.129 0.000 1.090 272 G CA -0.149 45.045 45.100 0.156 0.000 0.795 272 G HN 0.230 nan 8.290 nan 0.000 0.535 273 Q N 1.092 120.973 119.800 0.135 0.000 2.489 273 Q HA 0.272 4.612 4.340 0.001 0.000 0.231 273 Q C 1.532 177.571 176.000 0.065 0.000 1.273 273 Q CA -0.219 55.647 55.803 0.106 0.000 0.898 273 Q CB 0.983 29.819 28.738 0.164 0.000 1.545 273 Q HN 0.131 nan 8.270 nan 0.000 0.538 274 V N 1.262 121.195 119.914 0.032 0.000 2.250 274 V HA -0.379 3.741 4.120 0.001 0.000 0.250 274 V C 1.750 177.765 176.094 -0.133 0.000 1.060 274 V CA 2.555 64.778 62.300 -0.129 0.000 1.030 274 V CB -0.842 30.764 31.823 -0.362 0.000 0.643 274 V HN 0.737 nan 8.190 nan 0.000 0.445 275 T N -0.433 114.178 114.554 0.095 0.000 2.777 275 T HA -0.169 4.181 4.350 0.001 0.000 0.266 275 T C 1.620 176.407 174.700 0.145 0.000 1.040 275 T CA 1.614 63.846 62.100 0.220 0.000 1.141 275 T CB -0.447 68.642 68.868 0.369 0.000 0.868 275 T HN 0.527 nan 8.240 nan 0.000 0.444 276 D N 1.037 121.526 120.400 0.148 0.000 2.117 276 D HA -0.061 4.580 4.640 0.001 0.000 0.197 276 D C 2.245 178.611 176.300 0.111 0.000 0.987 276 D CA 0.607 54.701 54.000 0.156 0.000 0.829 276 D CB -0.688 40.233 40.800 0.202 0.000 0.961 276 D HN 0.217 nan 8.370 nan 0.000 0.460 277 V N 1.109 121.066 119.914 0.072 0.000 2.358 277 V HA -0.217 3.903 4.120 0.001 0.000 0.246 277 V C 2.380 178.495 176.094 0.034 0.000 1.047 277 V CA 1.198 63.523 62.300 0.041 0.000 1.035 277 V CB -0.320 31.512 31.823 0.014 0.000 0.658 277 V HN 0.199 nan 8.190 nan 0.000 0.452 278 M N -0.661 118.943 119.600 0.006 0.000 2.229 278 M HA -0.084 4.397 4.480 0.001 0.000 0.264 278 M C 2.242 178.619 176.300 0.129 0.000 1.063 278 M CA 1.515 56.831 55.300 0.027 0.000 1.114 278 M CB -1.180 31.385 32.600 -0.059 0.000 1.387 278 M HN 0.297 nan 8.290 nan 0.000 0.420 279 R N -0.204 120.385 120.500 0.148 0.000 2.062 279 R HA -0.050 4.291 4.340 0.001 0.000 0.229 279 R C 2.148 178.599 176.300 0.251 0.000 1.128 279 R CA 1.008 57.243 56.100 0.225 0.000 0.960 279 R CB -0.398 30.017 30.300 0.190 0.000 0.855 279 R HN 0.151 nan 8.270 nan 0.000 0.432 280 I N 0.558 121.219 120.570 0.150 0.000 2.493 280 I HA -0.077 4.094 4.170 0.001 0.000 0.254 280 I C 2.002 178.154 176.117 0.058 0.000 1.160 280 I CA 1.231 62.586 61.300 0.092 0.000 1.445 280 I CB -0.398 37.635 38.000 0.055 0.000 1.086 280 I HN 0.187 nan 8.210 nan 0.000 0.433 281 G N -0.616 108.232 108.800 0.079 0.000 2.422 281 G HA2 -0.317 3.644 3.960 0.001 0.000 0.218 281 G HA3 -0.317 3.644 3.960 0.001 0.000 0.218 281 G C 1.454 176.409 174.900 0.092 0.000 1.140 281 G CA 0.677 45.813 45.100 0.059 0.000 0.775 281 G HN 0.583 nan 8.290 nan 0.000 0.545 282 W N 1.032 122.338 121.300 0.010 0.000 2.353 282 W HA -0.001 4.660 4.660 0.001 0.000 0.319 282 W C 2.130 178.656 176.519 0.013 0.000 1.207 282 W CA 1.254 58.608 57.345 0.016 0.000 1.291 282 W CB -0.797 28.679 29.460 0.027 0.000 1.159 282 W HN 0.132 nan 8.180 nan 0.000 0.478 283 L N 2.152 123.105 121.223 -0.451 0.000 1.978 283 L HA -0.196 4.144 4.340 0.001 0.000 0.218 283 L C 2.612 179.230 176.870 -0.420 0.000 1.075 283 L CA 3.426 57.868 54.840 -0.665 0.000 0.767 283 L CB -1.716 40.182 42.059 -0.268 0.000 0.890 283 L HN 0.183 nan 8.230 nan 0.000 0.434 284 A N -0.820 121.869 122.820 -0.218 0.000 1.958 284 A HA -0.235 4.086 4.320 0.001 0.000 0.221 284 A C 2.420 179.911 177.584 -0.155 0.000 1.178 284 A CA 2.373 54.317 52.037 -0.154 0.000 0.642 284 A CB -1.278 17.667 19.000 -0.092 0.000 0.816 284 A HN 0.655 nan 8.150 nan 0.000 0.453 285 A N -0.733 121.988 122.820 -0.164 0.000 1.933 285 A HA -0.127 4.194 4.320 0.001 0.000 0.218 285 A C 1.926 179.415 177.584 -0.157 0.000 1.175 285 A CA 1.605 53.571 52.037 -0.118 0.000 0.628 285 A CB -0.354 18.610 19.000 -0.060 0.000 0.814 285 A HN 0.491 nan 8.150 nan 0.000 0.444 286 E N -0.060 119.963 120.200 -0.295 0.000 2.152 286 E HA -0.049 4.302 4.350 0.001 0.000 0.192 286 E C 1.867 178.357 176.600 -0.184 0.000 0.983 286 E CA 0.701 56.934 56.400 -0.279 0.000 0.818 286 E CB -0.227 29.166 29.700 -0.512 0.000 0.758 286 E HN 0.663 nan 8.360 nan 0.000 0.467 287 L N -0.683 120.430 121.223 -0.182 0.000 2.446 287 L HA 0.117 4.457 4.340 0.001 0.000 0.219 287 L C 1.310 178.138 176.870 -0.070 0.000 1.116 287 L CA 0.615 55.386 54.840 -0.115 0.000 0.844 287 L CB -0.058 41.929 42.059 -0.121 0.000 0.970 287 L HN 0.233 nan 8.230 nan 0.000 0.457 288 G N 0.879 109.635 108.800 -0.073 0.000 2.132 288 G HA2 -0.214 3.746 3.960 0.001 0.000 0.228 288 G HA3 -0.214 3.746 3.960 0.001 0.000 0.228 288 G C 0.065 174.942 174.900 -0.038 0.000 1.000 288 G CA -0.396 44.676 45.100 -0.045 0.000 0.693 288 G HN 0.121 nan 8.290 nan 0.000 0.515 289 I N 2.060 122.598 120.570 -0.054 0.000 2.331 289 I HA 0.356 4.527 4.170 0.001 0.000 0.292 289 I C -1.397 174.689 176.117 -0.052 0.000 0.998 289 I CA -3.027 58.241 61.300 -0.053 0.000 1.267 289 I CB 0.707 38.666 38.000 -0.069 0.000 1.386 289 I HN -0.040 nan 8.210 nan 0.000 0.476 290 P HA 0.460 nan 4.420 nan 0.000 0.276 290 P C -0.624 176.637 177.300 -0.066 0.000 1.261 290 P CA -0.358 62.721 63.100 -0.036 0.000 0.800 290 P CB 1.670 33.366 31.700 -0.008 0.000 1.066 291 I N 0.049 120.588 120.570 -0.052 0.000 2.686 291 I HA 0.237 4.408 4.170 0.001 0.000 0.295 291 I C -0.067 176.016 176.117 -0.057 0.000 1.114 291 I CA -0.663 60.591 61.300 -0.075 0.000 1.038 291 I CB 2.314 40.285 38.000 -0.048 0.000 1.238 291 I HN 0.349 nan 8.210 nan 0.000 0.420 292 S N 6.158 121.786 115.700 -0.120 0.000 2.501 292 S HA 0.641 5.111 4.470 0.001 0.000 0.301 292 S C -0.663 173.924 174.600 -0.022 0.000 1.096 292 S CA -0.848 57.337 58.200 -0.024 0.000 1.063 292 S CB 1.865 64.990 63.200 -0.126 0.000 1.042 292 S HN 0.344 nan 8.310 nan 0.000 0.494 293 I N 3.081 123.684 120.570 0.055 0.000 2.312 293 I HA 0.359 4.530 4.170 0.001 0.000 0.291 293 I C 1.200 177.302 176.117 -0.025 0.000 1.031 293 I CA -0.049 61.242 61.300 -0.016 0.000 1.293 293 I CB 0.218 38.225 38.000 0.013 0.000 1.403 293 I HN 0.962 nan 8.210 nan 0.000 0.484 294 G N 5.422 114.085 108.800 -0.230 0.000 2.535 294 G HA2 0.148 4.109 3.960 0.001 0.000 0.282 294 G HA3 0.148 4.109 3.960 0.001 0.000 0.282 294 G C 0.020 174.866 174.900 -0.090 0.000 1.350 294 G CA -0.756 44.200 45.100 -0.241 0.000 1.039 294 G HN 0.695 nan 8.290 nan 0.000 0.509 295 N N 0.304 119.049 118.700 0.076 0.000 2.365 295 N HA 0.218 4.959 4.740 0.001 0.000 0.265 295 N C 0.204 175.872 175.510 0.264 0.000 1.288 295 N CA 0.632 53.756 53.050 0.124 0.000 0.869 295 N CB 0.407 38.955 38.487 0.102 0.000 1.071 295 N HN 0.603 nan 8.380 nan 0.000 0.480 296 T N -0.150 114.498 114.554 0.155 0.000 2.856 296 T HA 0.304 4.655 4.350 0.001 0.000 0.283 296 T C -0.194 174.595 174.700 0.148 0.000 1.008 296 T CA -0.847 61.365 62.100 0.188 0.000 0.997 296 T CB 0.699 69.665 68.868 0.162 0.000 0.992 296 T HN 0.256 nan 8.240 nan 0.000 0.454 297 F N 4.024 124.005 119.950 0.052 0.000 2.571 297 F HA 0.212 4.739 4.527 0.001 0.000 0.390 297 F C 1.340 177.076 175.800 -0.107 0.000 1.043 297 F CA 0.042 58.003 58.000 -0.065 0.000 1.164 297 F CB -0.366 38.493 39.000 -0.236 0.000 1.049 297 F HN 0.739 nan 8.300 nan 0.000 0.552 298 L N 4.419 125.463 121.223 -0.298 0.000 4.179 298 L HA -0.375 3.966 4.340 0.001 0.000 0.418 298 L C 0.566 177.437 176.870 0.002 0.000 1.168 298 L CA 0.736 55.498 54.840 -0.130 0.000 0.972 298 L CB -1.539 40.445 42.059 -0.124 0.000 2.005 298 L HN 0.786 nan 8.230 nan 0.000 0.935 299 E N -3.157 117.060 120.200 0.029 0.000 3.070 299 E HA -0.309 4.041 4.350 0.001 0.000 0.285 299 E C 1.394 178.027 176.600 0.056 0.000 0.972 299 E CA 1.060 57.487 56.400 0.045 0.000 0.915 299 E CB -1.454 28.264 29.700 0.029 0.000 1.466 299 E HN 0.681 nan 8.360 nan 0.000 0.432 300 A N 0.068 122.934 122.820 0.077 0.000 1.958 300 A HA -0.144 4.177 4.320 0.001 0.000 0.221 300 A C 2.366 180.055 177.584 0.174 0.000 1.178 300 A CA 2.086 54.187 52.037 0.105 0.000 0.642 300 A CB -0.851 18.174 19.000 0.041 0.000 0.816 300 A HN 0.562 nan 8.150 nan 0.000 0.453 301 G N -1.089 107.779 108.800 0.113 0.000 2.653 301 G HA2 0.027 3.988 3.960 0.001 0.000 0.212 301 G HA3 0.027 3.988 3.960 0.001 0.000 0.212 301 G C 1.329 176.256 174.900 0.045 0.000 1.138 301 G CA 0.786 45.938 45.100 0.087 0.000 0.782 301 G HN 0.473 nan 8.290 nan 0.000 0.535 302 V N 0.349 120.262 119.914 -0.001 0.000 2.453 302 V HA -0.246 3.875 4.120 0.001 0.000 0.252 302 V C 2.459 178.441 176.094 -0.187 0.000 1.068 302 V CA 2.147 64.365 62.300 -0.136 0.000 1.070 302 V CB -0.481 31.205 31.823 -0.228 0.000 0.664 302 V HN 0.584 nan 8.190 nan 0.000 0.461 303 H N -1.189 117.895 119.070 0.023 0.000 2.403 303 H HA -0.041 4.516 4.556 0.001 0.000 0.298 303 H C 2.235 177.576 175.328 0.021 0.000 1.059 303 H CA 1.984 58.066 56.048 0.057 0.000 1.363 303 H CB -0.134 29.697 29.762 0.115 0.000 1.410 303 H HN 0.446 nan 8.280 nan 0.000 0.528 304 M N 0.482 120.138 119.600 0.093 0.000 2.254 304 M HA 0.018 4.498 4.480 0.001 0.000 0.265 304 M C 2.689 178.993 176.300 0.007 0.000 1.066 304 M CA 1.219 56.528 55.300 0.015 0.000 1.123 304 M CB -0.247 32.341 32.600 -0.020 0.000 1.388 304 M HN 0.179 nan 8.290 nan 0.000 0.425 305 A N 0.216 123.033 122.820 -0.005 0.000 1.877 305 A HA -0.100 4.221 4.320 0.001 0.000 0.216 305 A C 2.319 179.880 177.584 -0.038 0.000 1.186 305 A CA 2.065 54.090 52.037 -0.020 0.000 0.620 305 A CB -1.302 17.681 19.000 -0.028 0.000 0.822 305 A HN 0.432 nan 8.150 nan 0.000 0.443 306 V N -3.131 116.745 119.914 -0.063 0.000 2.871 306 V HA 0.190 4.311 4.120 0.001 0.000 0.256 306 V C 2.240 178.331 176.094 -0.006 0.000 1.082 306 V CA 1.717 63.973 62.300 -0.074 0.000 1.105 306 V CB -0.745 30.977 31.823 -0.169 0.000 0.713 306 V HN 0.490 nan 8.190 nan 0.000 0.473 307 A N 0.355 123.194 122.820 0.031 0.000 2.030 307 A HA 0.414 4.735 4.320 0.001 0.000 0.215 307 A C 1.175 178.779 177.584 0.033 0.000 1.164 307 A CA 0.276 52.346 52.037 0.055 0.000 0.697 307 A CB -0.361 18.682 19.000 0.072 0.000 0.827 307 A HN 0.576 nan 8.150 nan 0.000 0.457 308 L N 0.776 122.011 121.223 0.019 0.000 2.349 308 L HA 0.223 4.564 4.340 0.001 0.000 0.275 308 L C -1.190 175.688 176.870 0.012 0.000 1.115 308 L CA -1.668 53.185 54.840 0.021 0.000 0.820 308 L CB 1.155 43.223 42.059 0.015 0.000 1.135 308 L HN 0.140 nan 8.230 nan 0.000 0.445 309 P HA -0.125 nan 4.420 nan 0.000 0.224 309 P C 0.641 177.941 177.300 -0.001 0.000 1.157 309 P CA 0.848 63.952 63.100 0.008 0.000 0.799 309 P CB 0.195 31.905 31.700 0.017 0.000 0.809 310 E N 0.535 120.735 120.200 0.000 0.000 2.463 310 E HA 0.061 4.412 4.350 0.001 0.000 0.191 310 E C -0.177 176.424 176.600 0.001 0.000 1.083 310 E CA 0.059 56.456 56.400 -0.004 0.000 0.872 310 E CB -0.296 29.396 29.700 -0.013 0.000 0.966 310 E HN 0.054 nan 8.360 nan 0.000 0.491 311 V N 2.316 122.229 119.914 -0.001 0.000 2.398 311 V HA 0.118 4.239 4.120 0.001 0.000 0.286 311 V C 0.933 177.016 176.094 -0.018 0.000 1.026 311 V CA -0.241 62.065 62.300 0.011 0.000 0.868 311 V CB 1.397 33.226 31.823 0.009 0.000 0.982 311 V HN 0.353 nan 8.190 nan 0.000 0.443 312 E N 2.927 123.122 120.200 -0.009 0.000 2.485 312 E HA 0.109 4.459 4.350 0.001 0.000 0.213 312 E C -0.439 175.937 176.600 -0.374 0.000 0.923 312 E CA -0.296 55.979 56.400 -0.209 0.000 1.054 312 E CB 0.574 30.124 29.700 -0.250 0.000 1.077 312 E HN 0.604 nan 8.360 nan 0.000 0.509 313 W N 1.276 122.658 121.300 0.137 0.000 2.883 313 W HA 0.549 5.210 4.660 0.001 0.000 0.335 313 W C -1.074 175.577 176.519 0.220 0.000 1.083 313 W CA -0.921 56.567 57.345 0.239 0.000 1.233 313 W CB 1.924 31.662 29.460 0.462 0.000 1.412 313 W HN -0.028 nan 8.180 nan 0.000 0.490 314 L N 2.388 123.871 121.223 0.434 0.000 2.385 314 L HA 0.525 4.865 4.340 0.001 0.000 0.273 314 L C -0.222 176.596 176.870 -0.087 0.000 0.990 314 L CA -0.678 54.264 54.840 0.170 0.000 0.821 314 L CB 1.713 43.801 42.059 0.048 0.000 1.279 314 L HN 0.472 nan 8.230 nan 0.000 0.412 315 E N 3.221 123.263 120.200 -0.265 0.000 2.316 315 E HA 0.127 4.477 4.350 0.001 0.000 0.275 315 E C -1.976 174.426 176.600 -0.331 0.000 1.029 315 E CA -0.284 55.697 56.400 -0.698 0.000 0.871 315 E CB 0.859 30.351 29.700 -0.346 0.000 1.022 315 E HN 0.542 nan 8.360 nan 0.000 0.418 316 Y N 2.554 122.547 120.300 -0.511 0.000 2.391 316 Y HA 0.282 4.833 4.550 0.001 0.000 0.341 316 Y C -0.387 175.223 175.900 -0.482 0.000 0.965 316 Y CA -0.495 57.345 58.100 -0.434 0.000 1.067 316 Y CB 2.080 40.294 38.460 -0.411 0.000 1.199 316 Y HN 0.458 nan 8.280 nan 0.000 0.450 317 S N 5.657 120.587 115.700 -1.284 0.000 2.730 317 S HA 0.163 4.633 4.470 0.001 0.000 0.244 317 S C -0.350 173.855 174.600 -0.659 0.000 1.022 317 S CA -0.344 57.431 58.200 -0.708 0.000 1.014 317 S CB -0.379 62.568 63.200 -0.423 0.000 0.963 317 S HN 0.759 nan 8.310 nan 0.000 0.540 318 F N 1.371 120.561 119.950 -1.268 0.000 3.093 318 F HA -0.243 4.284 4.527 0.001 0.000 0.287 318 F C 0.561 176.045 175.800 -0.526 0.000 0.882 318 F CA 0.188 57.820 58.000 -0.614 0.000 1.063 318 F CB -2.205 36.619 39.000 -0.294 0.000 1.097 318 F HN 0.261 nan 8.300 nan 0.000 0.604 319 Q N 1.311 120.705 119.800 -0.675 0.000 2.394 319 Q HA 0.142 4.482 4.340 0.001 0.000 0.248 319 Q C 0.890 176.499 176.000 -0.651 0.000 0.992 319 Q CA -0.183 55.109 55.803 -0.852 0.000 0.888 319 Q CB 0.347 28.099 28.738 -1.644 0.000 1.257 319 Q HN 0.349 nan 8.270 nan 0.000 0.462 320 N N 2.283 120.741 118.700 -0.402 0.000 2.968 320 N HA 0.022 4.763 4.740 0.001 0.000 0.271 320 N C -0.937 174.750 175.510 0.295 0.000 1.174 320 N CA 0.192 53.216 53.050 -0.043 0.000 1.096 320 N CB 0.156 38.654 38.487 0.019 0.000 1.403 320 N HN 0.424 nan 8.380 nan 0.000 0.522 321 F N -0.202 119.745 119.950 -0.005 0.000 2.789 321 F HA 0.251 4.779 4.527 0.001 0.000 0.320 321 F C 1.055 176.709 175.800 -0.242 0.000 1.079 321 F CA -0.756 57.152 58.000 -0.152 0.000 1.205 321 F CB 0.118 38.843 39.000 -0.457 0.000 1.046 321 F HN 0.151 nan 8.300 nan 0.000 0.586 322 D N -0.239 120.216 120.400 0.092 0.000 2.219 322 D HA -0.146 4.495 4.640 0.001 0.000 0.205 322 D C 2.259 178.536 176.300 -0.037 0.000 0.970 322 D CA 1.246 55.258 54.000 0.020 0.000 0.851 322 D CB -0.501 40.332 40.800 0.055 0.000 0.943 322 D HN 0.397 nan 8.370 nan 0.000 0.488 323 H N 0.305 119.313 119.070 -0.103 0.000 2.518 323 H HA -0.036 4.521 4.556 0.001 0.000 0.289 323 H C 1.850 177.108 175.328 -0.116 0.000 1.051 323 H CA 0.561 56.541 56.048 -0.113 0.000 1.280 323 H CB -0.706 28.934 29.762 -0.204 0.000 1.380 323 H HN 0.218 nan 8.280 nan 0.000 0.566 324 L N 1.245 122.047 121.223 -0.702 0.000 2.395 324 L HA 0.047 4.387 4.340 0.001 0.000 0.218 324 L C 0.776 177.556 176.870 -0.149 0.000 1.130 324 L CA 0.172 54.692 54.840 -0.534 0.000 0.826 324 L CB 0.153 41.797 42.059 -0.691 0.000 0.941 324 L HN 0.160 nan 8.230 nan 0.000 0.451 325 V N -5.581 114.294 119.914 -0.065 0.000 3.074 325 V HA 0.337 4.458 4.120 0.001 0.000 0.314 325 V C 0.667 176.792 176.094 0.052 0.000 1.117 325 V CA -0.927 61.399 62.300 0.044 0.000 1.014 325 V CB 1.852 33.729 31.823 0.090 0.000 1.057 325 V HN 0.011 nan 8.190 nan 0.000 0.438 326 E N 1.003 121.247 120.200 0.074 0.000 2.015 326 E HA -0.059 4.292 4.350 0.001 0.000 0.191 326 E C 0.185 176.821 176.600 0.060 0.000 0.991 326 E CA 1.550 57.990 56.400 0.067 0.000 0.802 326 E CB 0.054 29.795 29.700 0.069 0.000 0.759 326 E HN 0.879 nan 8.360 nan 0.000 0.447 327 Q N 0.999 120.840 119.800 0.068 0.000 2.290 327 Q HA 0.405 4.746 4.340 0.001 0.000 0.269 327 Q C -2.728 173.310 176.000 0.064 0.000 1.016 327 Q CA -2.278 53.560 55.803 0.058 0.000 0.754 327 Q CB 1.880 30.649 28.738 0.052 0.000 1.247 327 Q HN -0.102 nan 8.270 nan 0.000 0.451 328 P HA 0.166 nan 4.420 nan 0.000 0.274 328 P C -0.082 177.233 177.300 0.026 0.000 1.256 328 P CA -0.545 62.576 63.100 0.035 0.000 0.795 328 P CB 0.746 32.454 31.700 0.014 0.000 1.038 329 I N 0.606 121.184 120.570 0.014 0.000 2.668 329 I HA 0.019 4.190 4.170 0.001 0.000 0.285 329 I C 1.295 177.387 176.117 -0.042 0.000 1.168 329 I CA -0.037 61.260 61.300 -0.004 0.000 1.424 329 I CB -1.247 36.739 38.000 -0.023 0.000 1.377 329 I HN 0.525 nan 8.210 nan 0.000 0.560 330 E N 6.860 127.053 120.200 -0.011 0.000 2.417 330 E HA 0.143 4.493 4.350 0.001 0.000 0.261 330 E C -0.869 175.741 176.600 0.016 0.000 1.000 330 E CA 0.033 56.426 56.400 -0.012 0.000 0.919 330 E CB 0.489 30.176 29.700 -0.021 0.000 0.955 330 E HN 0.414 nan 8.360 nan 0.000 0.455 331 I N 5.542 126.072 120.570 -0.066 0.000 2.439 331 I HA 0.338 4.509 4.170 0.001 0.000 0.285 331 I C -0.224 175.861 176.117 -0.054 0.000 1.021 331 I CA -0.612 60.637 61.300 -0.085 0.000 1.091 331 I CB 1.641 39.466 38.000 -0.292 0.000 1.242 331 I HN 0.420 nan 8.210 nan 0.000 0.439 332 R N 6.074 126.615 120.500 0.068 0.000 2.502 332 R HA 0.296 4.637 4.340 0.001 0.000 0.300 332 R C -0.918 175.413 176.300 0.051 0.000 0.984 332 R CA -0.333 55.795 56.100 0.045 0.000 0.882 332 R CB 1.006 31.338 30.300 0.054 0.000 1.180 332 R HN 0.589 nan 8.270 nan 0.000 0.444 333 D N 3.709 124.074 120.400 -0.058 0.000 2.708 333 D HA -0.180 4.461 4.640 0.001 0.000 0.236 333 D C 0.640 176.837 176.300 -0.171 0.000 1.146 333 D CA 2.022 55.981 54.000 -0.068 0.000 0.662 333 D CB -1.023 39.804 40.800 0.046 0.000 1.059 333 D HN 1.094 nan 8.370 nan 0.000 0.428 334 G N -1.133 107.381 108.800 -0.478 0.000 2.155 334 G HA2 -0.355 3.605 3.960 0.001 0.000 0.257 334 G HA3 -0.355 3.605 3.960 0.001 0.000 0.257 334 G C -0.087 174.483 174.900 -0.550 0.000 0.983 334 G CA 0.505 45.224 45.100 -0.634 0.000 0.676 334 G HN 0.483 nan 8.290 nan 0.000 0.528 335 Y N 0.252 120.377 120.300 -0.292 0.000 2.409 335 Y HA 0.661 5.211 4.550 0.001 0.000 0.343 335 Y C 0.485 176.156 175.900 -0.381 0.000 0.973 335 Y CA -0.318 57.564 58.100 -0.365 0.000 1.064 335 Y CB 2.120 40.289 38.460 -0.484 0.000 1.207 335 Y HN 0.452 nan 8.280 nan 0.000 0.452 336 A N 3.255 125.934 122.820 -0.235 0.000 2.301 336 A HA 0.666 4.987 4.320 0.001 0.000 0.312 336 A C -1.790 175.578 177.584 -0.360 0.000 1.182 336 A CA -0.421 51.493 52.037 -0.205 0.000 0.826 336 A CB 0.125 19.031 19.000 -0.156 0.000 1.134 336 A HN 0.720 nan 8.150 nan 0.000 0.501 337 Y N 1.055 121.275 120.300 -0.133 0.000 2.328 337 Y HA 0.503 5.053 4.550 0.001 0.000 0.336 337 Y C 0.676 176.446 175.900 -0.218 0.000 0.960 337 Y CA -0.297 57.707 58.100 -0.161 0.000 1.134 337 Y CB 1.912 40.298 38.460 -0.124 0.000 1.166 337 Y HN 0.814 nan 8.280 nan 0.000 0.464 338 A N 6.896 129.580 122.820 -0.226 0.000 2.396 338 A HA 0.433 4.753 4.320 0.001 0.000 0.279 338 A C -2.381 175.127 177.584 -0.127 0.000 1.165 338 A CA -1.428 50.365 52.037 -0.407 0.000 0.824 338 A CB -0.419 18.077 19.000 -0.840 0.000 1.100 338 A HN 0.422 nan 8.150 nan 0.000 0.516 339 P HA 0.117 nan 4.420 nan 0.000 0.274 339 P C -0.317 177.137 177.300 0.257 0.000 1.246 339 P CA -0.072 63.119 63.100 0.152 0.000 0.795 339 P CB 0.772 32.567 31.700 0.158 0.000 1.006 340 D N -0.034 120.475 120.400 0.181 0.000 2.370 340 D HA 0.054 4.695 4.640 0.001 0.000 0.230 340 D C 0.268 176.641 176.300 0.121 0.000 1.143 340 D CA -0.068 54.034 54.000 0.169 0.000 0.834 340 D CB -0.096 40.772 40.800 0.113 0.000 0.944 340 D HN 0.187 nan 8.370 nan 0.000 0.504 341 R N 0.755 121.336 120.500 0.135 0.000 2.549 341 R HA 0.422 4.763 4.340 0.001 0.000 0.267 341 R C -2.152 174.199 176.300 0.086 0.000 1.045 341 R CA -1.625 54.534 56.100 0.099 0.000 1.115 341 R CB 0.493 30.856 30.300 0.105 0.000 1.121 341 R HN 0.120 nan 8.270 nan 0.000 0.543 342 P HA 0.090 nan 4.420 nan 0.000 0.274 342 P C 0.255 177.547 177.300 -0.014 0.000 1.237 342 P CA 0.223 63.330 63.100 0.013 0.000 0.793 342 P CB 0.711 32.411 31.700 -0.000 0.000 0.977 343 G N 1.956 110.717 108.800 -0.064 0.000 2.601 343 G HA2 -0.273 3.687 3.960 0.001 0.000 0.252 343 G HA3 -0.273 3.687 3.960 0.001 0.000 0.252 343 G C 0.579 175.376 174.900 -0.172 0.000 1.294 343 G CA 0.629 45.632 45.100 -0.162 0.000 0.912 343 G HN 0.850 nan 8.290 nan 0.000 0.574 344 H N 0.054 119.056 119.070 -0.113 0.000 2.547 344 H HA 0.431 4.987 4.556 0.001 0.000 0.266 344 H C 2.084 177.522 175.328 0.182 0.000 0.988 344 H CA 1.010 56.942 56.048 -0.193 0.000 1.147 344 H CB -0.317 29.412 29.762 -0.055 0.000 1.365 344 H HN 2.338 nan 8.280 nan 0.000 0.589 345 G N 0.022 109.019 108.800 0.329 0.000 2.179 345 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 345 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 345 G C -0.104 174.979 174.900 0.305 0.000 0.977 345 G CA 0.225 45.495 45.100 0.282 0.000 0.641 345 G HN 0.433 nan 8.290 nan 0.000 0.533 346 L N 0.889 122.409 121.223 0.495 0.000 2.272 346 L HA 0.697 5.037 4.340 0.001 0.000 0.289 346 L C 0.002 177.061 176.870 0.315 0.000 1.032 346 L CA -1.096 53.956 54.840 0.353 0.000 0.810 346 L CB 1.907 44.130 42.059 0.272 0.000 1.205 346 L HN -0.055 nan 8.230 nan 0.000 0.422 347 V N 4.144 124.180 119.914 0.204 0.000 2.588 347 V HA 0.296 4.416 4.120 0.001 0.000 0.304 347 V C -0.032 176.145 176.094 0.138 0.000 1.042 347 V CA -0.736 61.653 62.300 0.147 0.000 0.877 347 V CB 2.186 34.068 31.823 0.099 0.000 0.996 347 V HN 0.439 nan 8.190 nan 0.000 0.425 348 L N 3.772 125.073 121.223 0.130 0.000 2.490 348 L HA 0.220 4.561 4.340 0.001 0.000 0.274 348 L C 0.882 177.816 176.870 0.108 0.000 1.201 348 L CA 1.071 55.991 54.840 0.134 0.000 0.869 348 L CB 1.308 43.446 42.059 0.132 0.000 1.123 348 L HN 0.858 nan 8.230 nan 0.000 0.484 349 S N 3.376 119.135 115.700 0.098 0.000 2.499 349 S HA 0.156 4.626 4.470 0.001 0.000 0.275 349 S C 1.012 175.683 174.600 0.118 0.000 1.257 349 S CA -0.561 57.695 58.200 0.095 0.000 1.050 349 S CB 0.455 63.704 63.200 0.082 0.000 0.937 349 S HN 0.699 nan 8.310 nan 0.000 0.490 350 E N 4.746 125.005 120.200 0.098 0.000 2.110 350 E HA -0.118 4.232 4.350 0.001 0.000 0.193 350 E C 1.648 178.312 176.600 0.106 0.000 0.988 350 E CA 1.232 57.689 56.400 0.095 0.000 0.804 350 E CB -0.135 29.605 29.700 0.067 0.000 0.745 350 E HN 0.740 nan 8.360 nan 0.000 0.458 351 K N 0.796 121.259 120.400 0.105 0.000 2.063 351 K HA -0.118 4.202 4.320 0.001 0.000 0.208 351 K C 2.197 178.900 176.600 0.173 0.000 1.048 351 K CA 1.395 57.750 56.287 0.113 0.000 0.928 351 K CB -0.187 32.377 32.500 0.107 0.000 0.713 351 K HN 0.061 nan 8.250 nan 0.000 0.442 352 A N 1.530 124.484 122.820 0.222 0.000 1.877 352 A HA -0.187 4.134 4.320 0.001 0.000 0.216 352 A C 2.088 179.926 177.584 0.423 0.000 1.186 352 A CA 1.449 53.697 52.037 0.352 0.000 0.620 352 A CB -0.521 18.597 19.000 0.197 0.000 0.822 352 A HN 0.235 nan 8.150 nan 0.000 0.443 353 R N -0.521 120.184 120.500 0.341 0.000 2.200 353 R HA -0.136 4.205 4.340 0.001 0.000 0.234 353 R C 1.973 178.384 176.300 0.185 0.000 1.127 353 R CA 1.424 57.715 56.100 0.317 0.000 0.989 353 R CB -0.428 29.996 30.300 0.207 0.000 0.869 353 R HN 0.513 nan 8.270 nan 0.000 0.459 354 G N -0.134 108.753 108.800 0.145 0.000 2.447 354 G HA2 -0.144 3.817 3.960 0.001 0.000 0.211 354 G HA3 -0.144 3.817 3.960 0.001 0.000 0.211 354 G C 1.035 175.947 174.900 0.021 0.000 1.184 354 G CA 0.089 45.227 45.100 0.064 0.000 0.813 354 G HN 0.336 nan 8.290 nan 0.000 0.540 355 E N -0.547 119.650 120.200 -0.005 0.000 2.072 355 E HA -0.076 4.275 4.350 0.001 0.000 0.190 355 E C 1.880 178.302 176.600 -0.297 0.000 0.982 355 E CA 0.814 57.068 56.400 -0.243 0.000 0.803 355 E CB -0.088 29.369 29.700 -0.406 0.000 0.755 355 E HN 0.673 nan 8.360 nan 0.000 0.453 356 W N 0.635 122.046 121.300 0.185 0.000 3.103 356 W HA 0.212 4.873 4.660 0.001 0.000 0.325 356 W C 0.778 177.475 176.519 0.297 0.000 1.170 356 W CA -0.509 56.998 57.345 0.270 0.000 1.712 356 W CB 0.619 30.262 29.460 0.306 0.000 1.068 356 W HN -0.207 nan 8.180 nan 0.000 0.592 357 S N 2.238 118.098 115.700 0.267 0.000 2.552 357 S HA 0.148 4.619 4.470 0.001 0.000 0.289 357 S C 0.298 174.897 174.600 -0.001 0.000 1.304 357 S CA 0.170 58.321 58.200 -0.082 0.000 1.063 357 S CB 0.231 63.362 63.200 -0.115 0.000 0.848 357 S HN 0.046 nan 8.310 nan 0.000 0.499 358 R N 5.022 125.493 120.500 -0.049 0.000 2.607 358 R HA 0.245 4.586 4.340 0.001 0.000 0.278 358 R C -2.529 173.762 176.300 -0.016 0.000 1.637 358 R CA -1.725 54.392 56.100 0.028 0.000 1.325 358 R CB 0.925 31.302 30.300 0.127 0.000 1.211 358 R HN 0.435 nan 8.270 nan 0.000 0.565 359 P HA -0.090 nan 4.420 nan 0.000 0.223 359 P C 0.174 177.469 177.300 -0.008 0.000 1.151 359 P CA 0.828 63.907 63.100 -0.036 0.000 0.787 359 P CB 0.375 32.054 31.700 -0.034 0.000 0.788 360 R N 0.281 120.786 120.500 0.008 0.000 2.437 360 R HA 0.324 4.664 4.340 0.001 0.000 0.310 360 R C -0.195 176.123 176.300 0.030 0.000 0.955 360 R CA -0.953 55.157 56.100 0.017 0.000 0.851 360 R CB 0.649 30.958 30.300 0.015 0.000 1.161 360 R HN -0.226 nan 8.270 nan 0.000 0.446 361 R N 4.923 125.441 120.500 0.029 0.000 2.458 361 R HA 0.113 4.453 4.340 0.001 0.000 0.303 361 R C -0.779 175.546 176.300 0.040 0.000 1.013 361 R CA 0.154 56.275 56.100 0.036 0.000 1.026 361 R CB 0.190 30.508 30.300 0.030 0.000 0.948 361 R HN 0.593 nan 8.270 nan 0.000 0.417 362 L N 3.498 124.752 121.223 0.052 0.000 2.352 362 L HA 0.530 4.871 4.340 0.001 0.000 0.269 362 L C 0.449 177.349 176.870 0.049 0.000 1.034 362 L CA -1.140 53.732 54.840 0.054 0.000 0.806 362 L CB 1.636 43.738 42.059 0.072 0.000 1.244 362 L HN 0.737 nan 8.230 nan 0.000 0.447 363 A N 0.930 123.776 122.820 0.044 0.000 2.406 363 A HA 0.169 4.490 4.320 0.001 0.000 0.243 363 A C 1.047 178.660 177.584 0.049 0.000 1.082 363 A CA -0.164 51.898 52.037 0.041 0.000 0.786 363 A CB 0.378 19.398 19.000 0.035 0.000 1.029 363 A HN 0.832 nan 8.150 nan 0.000 0.495 364 R N 1.065 121.591 120.500 0.044 0.000 2.105 364 R HA -0.142 4.198 4.340 0.001 0.000 0.239 364 R C 2.194 178.527 176.300 0.055 0.000 1.135 364 R CA 2.609 58.739 56.100 0.049 0.000 0.967 364 R CB -0.888 29.435 30.300 0.038 0.000 0.861 364 R HN 0.874 nan 8.270 nan 0.000 0.442 365 S N -0.324 115.404 115.700 0.047 0.000 2.474 365 S HA -0.090 4.381 4.470 0.001 0.000 0.235 365 S C 1.135 175.767 174.600 0.054 0.000 0.997 365 S CA 1.127 59.354 58.200 0.046 0.000 0.949 365 S CB -0.202 63.020 63.200 0.036 0.000 0.766 365 S HN 0.530 nan 8.310 nan 0.000 0.517 366 E N 0.198 120.434 120.200 0.059 0.000 2.465 366 E HA 0.216 4.567 4.350 0.001 0.000 0.191 366 E C 0.666 177.321 176.600 0.091 0.000 1.053 366 E CA -0.199 56.239 56.400 0.065 0.000 0.869 366 E CB -0.001 29.733 29.700 0.057 0.000 0.977 366 E HN 0.307 nan 8.360 nan 0.000 0.483 367 L N 0.023 121.312 121.223 0.109 0.000 2.418 367 L HA 0.146 4.487 4.340 0.001 0.000 0.218 367 L C 1.155 178.140 176.870 0.191 0.000 1.125 367 L CA 1.063 56.000 54.840 0.162 0.000 0.835 367 L CB -0.641 41.519 42.059 0.170 0.000 0.953 367 L HN 0.190 nan 8.230 nan 0.000 0.454 368 G N -0.901 107.984 108.800 0.141 0.000 2.750 368 G HA2 -0.097 3.864 3.960 0.001 0.000 0.228 368 G HA3 -0.097 3.864 3.960 0.001 0.000 0.228 368 G C 0.182 175.185 174.900 0.171 0.000 1.367 368 G CA -0.470 44.714 45.100 0.140 0.000 0.871 368 G HN 0.647 nan 8.290 nan 0.000 0.560 369 A N -0.137 122.781 122.820 0.164 0.000 2.520 369 A HA 0.678 4.998 4.320 0.001 0.000 0.235 369 A C 1.272 178.993 177.584 0.229 0.000 1.065 369 A CA 1.401 53.536 52.037 0.164 0.000 0.764 369 A CB -0.111 18.972 19.000 0.139 0.000 1.002 369 A HN 2.576 nan 8.150 nan 0.000 0.502 370 A N 3.532 126.442 122.820 0.151 0.000 2.462 370 A HA 0.531 4.852 4.320 0.001 0.000 0.243 370 A C -2.065 175.521 177.584 0.003 0.000 1.076 370 A CA -1.071 51.029 52.037 0.106 0.000 0.773 370 A CB -0.695 18.348 19.000 0.071 0.000 1.010 370 A HN 0.677 nan 8.150 nan 0.000 0.493 371 P HA 0.061 nan 4.420 nan 0.000 0.265 371 P C -0.152 176.982 177.300 -0.277 0.000 1.187 371 P CA 0.253 62.996 63.100 -0.596 0.000 0.766 371 P CB 0.329 31.044 31.700 -1.642 0.000 0.820 372 E N 1.525 121.628 120.200 -0.162 0.000 2.404 372 E HA 0.051 4.401 4.350 0.001 0.000 0.261 372 E C 0.268 176.820 176.600 -0.080 0.000 1.074 372 E CA 0.118 56.474 56.400 -0.074 0.000 0.917 372 E CB 0.194 29.882 29.700 -0.020 0.000 0.965 372 E HN 0.282 nan 8.360 nan 0.000 0.433 373 N N 2.673 121.346 118.700 -0.044 0.000 2.776 373 N HA 0.174 4.915 4.740 0.001 0.000 0.245 373 N C -2.211 173.295 175.510 -0.006 0.000 1.121 373 N CA -2.124 50.911 53.050 -0.024 0.000 0.852 373 N CB 0.933 39.399 38.487 -0.036 0.000 1.142 373 N HN 0.169 nan 8.380 nan 0.000 0.514 374 P HA -0.016 nan 4.420 nan 0.000 0.234 374 P C 0.757 178.102 177.300 0.075 0.000 1.167 374 P CA 0.535 63.656 63.100 0.034 0.000 0.763 374 P CB 0.520 32.247 31.700 0.045 0.000 0.835 375 R N -0.975 119.594 120.500 0.115 0.000 2.276 375 R HA 0.283 4.624 4.340 0.001 0.000 0.196 375 R C 1.065 177.543 176.300 0.297 0.000 0.961 375 R CA 0.015 56.275 56.100 0.267 0.000 1.024 375 R CB -0.168 30.327 30.300 0.325 0.000 0.940 375 R HN 0.318 nan 8.270 nan 0.000 0.480 376 L N 0.974 122.204 121.223 0.011 0.000 2.303 376 L HA 0.444 4.785 4.340 0.001 0.000 0.266 376 L C -2.054 174.573 176.870 -0.406 0.000 1.011 376 L CA -2.186 52.482 54.840 -0.286 0.000 0.818 376 L CB 1.860 43.803 42.059 -0.193 0.000 1.326 376 L HN -0.138 nan 8.230 nan 0.000 0.435 377 P HA 0.000 nan 4.420 nan 0.000 0.216 377 P CA 0.000 62.905 63.100 -0.325 0.000 0.800 377 P CB 0.000 31.535 31.700 -0.275 0.000 0.726