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 1mab_1_A DATA FIRST_RESID 10 DATA SEQUENCE SSILEERIGA DTSVDLEETG RVLSIGDGIA RVHGLRNVQA EEMVEFSSGL DATA SEQUENCE KGMSLNLEPD NVGVVVFGND KLIKEGDIVK RTGAIVDVPV GDELLGRVVD DATA SEQUENCE ALGNAIDGKG PVGSKIRRRV GLKAPGIIPR ISVREPMQTG IKAVDSLVPI DATA SEQUENCE GRGQRELIIG DRQTGKTSIA IDTIINQKRF NDGTDEKKKL YCIYVAIGQK DATA SEQUENCE RSTVAQLVKR LTDADAMKYT IVVSATASDA APLQYLAPYS GCSMGEYFRD DATA SEQUENCE NGKHALIIYD DLSKQAVAYR QMSLLLRRPP GREAYPGDVF YLHSRLLERA DATA SEQUENCE AKMNDSFGGG SLTALPVIET QAGDVSAYIP TNVISITDGQ IFLETELFYK DATA SEQUENCE GIRPAINVGL SVSRVGSAAQ TRAMKQVAGT MKLELAQYRE VAAFAQFGSD DATA SEQUENCE LDAATQQLLS RGVRLTELLK QGQYSPMAIE EQVAVIYAGV RGYLDKLEPS DATA SEQUENCE KITKFESAFL SHVVSQHQSL LGNIRTDGKI SEQSDAKLKE IVTNFLAGFE DATA SEQUENCE P 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.601 174.600 0.002 0.000 1.055 10 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 10 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 11 S N -0.175 115.526 115.700 0.003 0.000 2.625 11 S HA 1.149 5.619 4.470 0.000 0.000 0.271 11 S C 0.149 174.752 174.600 0.006 0.000 1.161 11 S CA -0.122 58.081 58.200 0.005 0.000 0.820 11 S CB 0.127 63.330 63.200 0.005 0.000 1.137 11 S HN 2.484 nan 8.310 nan 0.000 0.470 12 I N -1.130 119.445 120.570 0.008 0.000 3.580 12 I HA 1.046 5.216 4.170 0.000 0.000 0.296 12 I C 0.207 176.329 176.117 0.009 0.000 1.146 12 I CA -0.604 60.702 61.300 0.009 0.000 1.051 12 I CB 0.210 38.217 38.000 0.011 0.000 1.364 12 I HN 1.946 nan 8.210 nan 0.000 0.482 13 L N -0.765 120.463 121.223 0.009 0.000 2.271 13 L HA 0.913 5.253 4.340 0.000 0.000 0.265 13 L C 0.979 177.854 176.870 0.009 0.000 1.013 13 L CA -0.156 54.689 54.840 0.009 0.000 0.820 13 L CB 0.402 42.466 42.059 0.008 0.000 1.352 13 L HN 0.916 nan 8.230 nan 0.000 0.443 14 E N -0.329 119.876 120.200 0.008 0.000 2.031 14 E HA -0.094 4.256 4.350 0.000 0.000 0.193 14 E C 0.860 177.465 176.600 0.009 0.000 0.994 14 E CA 1.619 58.023 56.400 0.008 0.000 0.800 14 E CB -0.178 29.527 29.700 0.007 0.000 0.752 14 E HN 0.792 nan 8.360 nan 0.000 0.447 15 E N 1.739 121.944 120.200 0.008 0.000 2.311 15 E HA -0.058 4.292 4.350 0.000 0.000 0.285 15 E C -0.585 176.021 176.600 0.010 0.000 1.122 15 E CA -0.014 56.392 56.400 0.009 0.000 1.145 15 E CB -0.797 28.908 29.700 0.008 0.000 1.066 15 E HN 0.093 nan 8.360 nan 0.000 0.461 16 R N 2.052 122.558 120.500 0.010 0.000 1.200 16 R HA -0.234 4.106 4.340 0.000 0.000 0.419 16 R C 0.829 177.136 176.300 0.013 0.000 1.345 16 R CA 0.552 56.659 56.100 0.011 0.000 1.193 16 R CB -1.085 29.221 30.300 0.011 0.000 3.456 16 R HN 0.773 nan 8.270 nan 0.000 0.497 17 I N 0.190 120.768 120.570 0.014 0.000 3.165 17 I HA -0.384 3.786 4.170 0.000 0.000 0.262 17 I C 0.903 177.031 176.117 0.017 0.000 0.643 17 I CA 1.822 63.132 61.300 0.016 0.000 1.476 17 I CB -1.654 36.357 38.000 0.018 0.000 1.099 17 I HN 1.052 nan 8.210 nan 0.000 0.412 18 G N -0.882 107.928 108.800 0.016 0.000 3.724 18 G HA2 0.416 4.376 3.960 0.000 0.000 0.212 18 G HA3 0.416 4.376 3.960 0.000 0.000 0.212 18 G C 0.889 175.797 174.900 0.014 0.000 0.928 18 G CA 1.028 46.137 45.100 0.016 0.000 0.879 18 G HN 1.703 nan 8.290 nan 0.000 0.424 19 A N 0.093 122.921 122.820 0.013 0.000 2.290 19 A HA -0.323 3.998 4.320 0.000 0.000 0.359 19 A C 0.510 178.101 177.584 0.012 0.000 1.653 19 A CA 2.287 54.331 52.037 0.012 0.000 1.039 19 A CB -1.631 17.375 19.000 0.010 0.000 1.478 19 A HN 1.112 nan 8.150 nan 0.000 0.694 20 D N -0.910 119.497 120.400 0.011 0.000 2.481 20 D HA 0.619 5.259 4.640 0.000 0.000 0.246 20 D C 0.373 176.679 176.300 0.010 0.000 1.109 20 D CA 0.732 54.739 54.000 0.011 0.000 0.845 20 D CB 1.358 42.164 40.800 0.009 0.000 1.160 20 D HN 0.604 nan 8.370 nan 0.000 0.534 21 T N 0.319 114.880 114.554 0.011 0.000 3.624 21 T HA -0.060 4.290 4.350 0.000 0.000 0.176 21 T C 1.650 176.357 174.700 0.011 0.000 0.724 21 T CA -0.097 62.009 62.100 0.010 0.000 0.929 21 T CB -0.511 68.363 68.868 0.010 0.000 0.915 21 T HN 0.208 nan 8.240 nan 0.000 0.296 22 S N 2.874 118.583 115.700 0.015 0.000 2.413 22 S HA -0.198 4.272 4.470 0.000 0.000 0.237 22 S C 2.409 177.022 174.600 0.022 0.000 1.044 22 S CA 1.694 59.906 58.200 0.020 0.000 1.024 22 S CB -1.077 62.139 63.200 0.027 0.000 0.829 22 S HN 0.700 nan 8.310 nan 0.000 0.475 23 V N 1.538 121.463 119.914 0.019 0.000 2.613 23 V HA -0.182 3.938 4.120 0.000 0.000 0.259 23 V C 0.522 176.628 176.094 0.020 0.000 1.099 23 V CA 1.614 63.926 62.300 0.019 0.000 1.115 23 V CB -1.183 30.649 31.823 0.015 0.000 0.686 23 V HN 0.666 nan 8.190 nan 0.000 0.481 24 D N -0.313 120.097 120.400 0.016 0.000 2.481 24 D HA 0.314 4.955 4.640 0.000 0.000 0.246 24 D C 0.531 176.838 176.300 0.012 0.000 1.109 24 D CA -0.701 53.307 54.000 0.014 0.000 0.845 24 D CB 1.990 42.794 40.800 0.007 0.000 1.160 24 D HN 0.266 nan 8.370 nan 0.000 0.534 25 L N 1.227 122.460 121.223 0.016 0.000 2.633 25 L HA -0.092 4.248 4.340 0.000 0.000 0.235 25 L C 2.154 179.009 176.870 -0.024 0.000 1.163 25 L CA 0.578 55.420 54.840 0.005 0.000 0.859 25 L CB -0.325 41.747 42.059 0.020 0.000 0.973 25 L HN 0.471 nan 8.230 nan 0.000 0.451 26 E N 0.561 120.752 120.200 -0.015 0.000 2.028 26 E HA -0.163 4.187 4.350 0.000 0.000 0.190 26 E C 1.816 178.403 176.600 -0.022 0.000 0.984 26 E CA 1.099 57.486 56.400 -0.021 0.000 0.800 26 E CB 0.313 30.006 29.700 -0.012 0.000 0.758 26 E HN 0.280 nan 8.360 nan 0.000 0.448 27 E N -0.340 119.850 120.200 -0.016 0.000 2.460 27 E HA 0.097 4.448 4.350 0.000 0.000 0.200 27 E C 0.309 176.896 176.600 -0.021 0.000 1.011 27 E CA 0.617 57.006 56.400 -0.018 0.000 0.912 27 E CB 1.057 30.750 29.700 -0.012 0.000 0.953 27 E HN 0.342 nan 8.360 nan 0.000 0.494 28 T N -2.365 112.179 114.554 -0.016 0.000 2.831 28 T HA 0.794 5.144 4.350 0.000 0.000 0.287 28 T C 0.116 174.812 174.700 -0.008 0.000 1.070 28 T CA -0.762 61.330 62.100 -0.014 0.000 1.010 28 T CB 2.477 71.346 68.868 0.003 0.000 1.264 28 T HN -0.003 nan 8.240 nan 0.000 0.532 29 G N 0.557 109.362 108.800 0.009 0.000 2.752 29 G HA2 0.559 4.519 3.960 0.000 0.000 0.298 29 G HA3 0.559 4.519 3.960 0.000 0.000 0.298 29 G C -1.368 173.583 174.900 0.084 0.000 1.434 29 G CA -1.195 43.929 45.100 0.040 0.000 1.004 29 G HN 0.902 nan 8.290 nan 0.000 0.560 30 R N 1.915 122.494 120.500 0.131 0.000 2.198 30 R HA 0.551 4.892 4.340 0.000 0.000 0.339 30 R C -0.109 176.278 176.300 0.144 0.000 1.020 30 R CA -0.684 55.490 56.100 0.123 0.000 0.864 30 R CB 1.617 31.973 30.300 0.094 0.000 1.105 30 R HN 0.224 nan 8.270 nan 0.000 0.463 31 V N 5.096 125.102 119.914 0.153 0.000 2.839 31 V HA -0.195 3.925 4.120 0.000 0.000 0.296 31 V C 1.570 177.717 176.094 0.089 0.000 1.239 31 V CA 0.998 63.384 62.300 0.144 0.000 1.349 31 V CB -0.155 31.741 31.823 0.122 0.000 0.852 31 V HN 0.799 nan 8.190 nan 0.000 0.504 32 L N 3.939 125.215 121.223 0.088 0.000 2.187 32 L HA 0.146 4.486 4.340 0.000 0.000 0.197 32 L C 1.267 178.149 176.870 0.020 0.000 1.090 32 L CA 1.230 56.096 54.840 0.044 0.000 0.781 32 L CB -0.064 42.035 42.059 0.066 0.000 0.956 32 L HN 0.832 nan 8.230 nan 0.000 0.463 33 S N -1.222 114.493 115.700 0.024 0.000 2.810 33 S HA 0.757 5.228 4.470 0.000 0.000 0.315 33 S C -0.856 173.739 174.600 -0.008 0.000 1.138 33 S CA -0.605 57.596 58.200 0.002 0.000 0.889 33 S CB 2.652 65.852 63.200 -0.000 0.000 1.236 33 S HN 0.069 nan 8.310 nan 0.000 0.548 34 I N -1.306 119.246 120.570 -0.030 0.000 2.624 34 I HA 0.595 4.765 4.170 0.000 0.000 0.293 34 I C -1.010 175.070 176.117 -0.061 0.000 1.774 34 I CA 0.965 62.230 61.300 -0.059 0.000 1.013 34 I CB 1.153 39.089 38.000 -0.107 0.000 1.557 34 I HN 1.483 nan 8.210 nan 0.000 0.509 35 G N 4.945 113.706 108.800 -0.065 0.000 2.318 35 G HA2 0.492 4.453 3.960 0.000 0.000 0.306 35 G HA3 0.492 4.453 3.960 0.000 0.000 0.306 35 G C -1.234 173.634 174.900 -0.054 0.000 1.696 35 G CA -0.129 44.937 45.100 -0.056 0.000 0.905 35 G HN 1.004 nan 8.290 nan 0.000 0.700 36 D N -0.039 120.330 120.400 -0.051 0.000 2.800 36 D HA -0.108 4.532 4.640 0.000 0.000 0.232 36 D C 1.415 177.683 176.300 -0.054 0.000 1.137 36 D CA 2.581 56.553 54.000 -0.046 0.000 0.718 36 D CB -1.243 39.531 40.800 -0.043 0.000 1.084 36 D HN 2.244 nan 8.370 nan 0.000 0.432 37 G N 0.572 109.334 108.800 -0.064 0.000 2.334 37 G HA2 -0.184 3.776 3.960 0.000 0.000 0.279 37 G HA3 -0.184 3.776 3.960 0.000 0.000 0.279 37 G C 0.349 175.207 174.900 -0.069 0.000 0.918 37 G CA 0.396 45.452 45.100 -0.073 0.000 1.314 37 G HN 0.570 nan 8.290 nan 0.000 0.463 38 I N -0.065 120.470 120.570 -0.059 0.000 2.798 38 I HA 0.297 4.468 4.170 0.000 0.000 0.323 38 I C 0.946 177.058 176.117 -0.008 0.000 1.468 38 I CA -0.825 60.451 61.300 -0.040 0.000 0.800 38 I CB 0.028 37.998 38.000 -0.050 0.000 2.090 38 I HN 0.589 nan 8.210 nan 0.000 0.584 39 A N 2.676 125.508 122.820 0.019 0.000 2.540 39 A HA 0.106 4.426 4.320 0.000 0.000 0.264 39 A C 0.728 178.373 177.584 0.101 0.000 1.080 39 A CA 0.323 52.397 52.037 0.061 0.000 0.776 39 A CB -0.112 18.984 19.000 0.159 0.000 1.011 39 A HN 0.353 nan 8.150 nan 0.000 0.514 40 R N 3.264 123.801 120.500 0.061 0.000 2.612 40 R HA 0.189 4.529 4.340 0.000 0.000 0.273 40 R C -0.378 175.979 176.300 0.095 0.000 1.376 40 R CA -0.121 56.016 56.100 0.060 0.000 1.171 40 R CB -0.231 30.091 30.300 0.038 0.000 1.151 40 R HN 0.511 nan 8.270 nan 0.000 0.560 41 V N 2.759 122.743 119.914 0.117 0.000 2.775 41 V HA 0.018 4.138 4.120 0.000 0.000 0.299 41 V C 0.753 176.918 176.094 0.118 0.000 1.062 41 V CA -0.274 62.108 62.300 0.137 0.000 1.063 41 V CB 0.816 32.706 31.823 0.111 0.000 0.994 41 V HN 0.601 nan 8.190 nan 0.000 0.483 42 H N 1.395 120.489 119.070 0.040 0.000 2.523 42 H HA 0.665 5.221 4.556 0.000 0.000 0.345 42 H C 0.796 176.134 175.328 0.016 0.000 1.261 42 H CA 0.868 56.930 56.048 0.023 0.000 1.343 42 H CB 1.282 31.057 29.762 0.022 0.000 1.650 42 H HN 0.897 nan 8.280 nan 0.000 0.591 43 G N 0.969 109.397 108.800 -0.620 0.000 2.687 43 G HA2 -0.324 3.636 3.960 0.000 0.000 0.303 43 G HA3 -0.324 3.636 3.960 0.000 0.000 0.303 43 G C 0.024 174.816 174.900 -0.180 0.000 1.209 43 G CA -0.005 44.925 45.100 -0.284 0.000 0.968 43 G HN 0.924 nan 8.290 nan 0.000 0.549 44 L N 1.238 122.407 121.223 -0.091 0.000 4.376 44 L HA -0.223 4.117 4.340 0.000 0.000 0.515 44 L C 2.445 179.273 176.870 -0.071 0.000 0.997 44 L CA 1.975 56.773 54.840 -0.071 0.000 0.832 44 L CB -1.221 40.799 42.059 -0.066 0.000 1.830 44 L HN 0.728 nan 8.230 nan 0.000 0.902 45 R N 1.077 121.532 120.500 -0.074 0.000 2.112 45 R HA -0.168 4.172 4.340 0.000 0.000 0.242 45 R C 1.288 177.563 176.300 -0.041 0.000 1.137 45 R CA 2.111 58.174 56.100 -0.061 0.000 0.944 45 R CB -0.052 30.216 30.300 -0.054 0.000 0.857 45 R HN 0.569 nan 8.270 nan 0.000 0.435 46 N N 0.155 118.835 118.700 -0.034 0.000 2.449 46 N HA -0.023 4.717 4.740 0.000 0.000 0.191 46 N C 0.128 175.623 175.510 -0.025 0.000 1.161 46 N CA -0.020 53.016 53.050 -0.025 0.000 0.863 46 N CB 0.003 38.478 38.487 -0.019 0.000 0.980 46 N HN -0.055 nan 8.380 nan 0.000 0.458 47 V N 1.246 121.141 119.914 -0.032 0.000 2.901 47 V HA -0.111 4.010 4.120 0.000 0.000 0.307 47 V C 0.650 176.731 176.094 -0.021 0.000 1.084 47 V CA 0.408 62.689 62.300 -0.030 0.000 1.184 47 V CB 0.777 32.576 31.823 -0.040 0.000 0.941 47 V HN 0.289 nan 8.190 nan 0.000 0.493 48 Q N 2.415 122.206 119.800 -0.015 0.000 2.180 48 Q HA 0.610 4.950 4.340 0.000 0.000 0.241 48 Q C 0.191 176.189 176.000 -0.003 0.000 0.970 48 Q CA -0.368 55.431 55.803 -0.007 0.000 0.919 48 Q CB 1.290 30.026 28.738 -0.002 0.000 1.222 48 Q HN 0.865 nan 8.270 nan 0.000 0.482 49 A N 1.652 124.474 122.820 0.003 0.000 3.046 49 A HA 0.117 4.437 4.320 0.000 0.000 0.259 49 A C 0.093 177.686 177.584 0.016 0.000 1.843 49 A CA 0.667 52.710 52.037 0.009 0.000 1.451 49 A CB -0.733 18.276 19.000 0.014 0.000 1.025 49 A HN 0.918 nan 8.150 nan 0.000 0.625 50 E N -0.844 119.365 120.200 0.015 0.000 3.883 50 E HA -0.092 4.258 4.350 0.000 0.000 0.382 50 E C -0.183 176.436 176.600 0.031 0.000 0.492 50 E CA 0.474 56.891 56.400 0.028 0.000 1.436 50 E CB -0.830 28.887 29.700 0.029 0.000 2.461 50 E HN 0.909 nan 8.360 nan 0.000 0.317 51 E N 2.018 122.227 120.200 0.015 0.000 2.159 51 E HA 0.135 4.485 4.350 0.000 0.000 0.272 51 E C 0.302 176.913 176.600 0.018 0.000 1.138 51 E CA -0.226 56.183 56.400 0.014 0.000 0.915 51 E CB 0.742 30.441 29.700 -0.001 0.000 1.028 51 E HN 0.180 nan 8.360 nan 0.000 0.423 52 M N 5.144 124.775 119.600 0.053 0.000 2.290 52 M HA 0.009 4.489 4.480 0.000 0.000 0.356 52 M C -0.587 175.723 176.300 0.018 0.000 1.448 52 M CA -0.252 55.098 55.300 0.084 0.000 0.993 52 M CB 0.440 33.139 32.600 0.166 0.000 1.934 52 M HN 0.587 nan 8.290 nan 0.000 0.461 53 V N 2.256 122.142 119.914 -0.047 0.000 3.096 53 V HA 0.623 4.743 4.120 0.000 0.000 0.319 53 V C -0.538 175.435 176.094 -0.202 0.000 1.082 53 V CA -0.928 61.282 62.300 -0.150 0.000 1.022 53 V CB 1.685 33.356 31.823 -0.253 0.000 1.103 53 V HN 0.909 nan 8.190 nan 0.000 0.455 54 E N 0.357 120.415 120.200 -0.236 0.000 2.145 54 E HA 0.510 4.860 4.350 0.000 0.000 0.270 54 E C -1.560 174.890 176.600 -0.251 0.000 0.906 54 E CA -0.610 55.688 56.400 -0.170 0.000 0.761 54 E CB 1.199 30.863 29.700 -0.060 0.000 1.116 54 E HN 0.564 nan 8.360 nan 0.000 0.408 55 F N 1.699 121.676 119.950 0.044 0.000 2.375 55 F HA 0.218 4.746 4.527 0.000 0.000 0.317 55 F C 1.782 177.601 175.800 0.031 0.000 1.124 55 F CA -0.427 57.593 58.000 0.034 0.000 1.050 55 F CB 1.173 40.193 39.000 0.033 0.000 1.314 55 F HN 0.482 nan 8.300 nan 0.000 0.511 56 S N -0.282 115.580 115.700 0.271 0.000 2.383 56 S HA -0.129 4.341 4.470 0.000 0.000 0.227 56 S C 1.629 176.303 174.600 0.123 0.000 1.026 56 S CA 1.358 59.646 58.200 0.147 0.000 0.981 56 S CB -0.473 62.795 63.200 0.115 0.000 0.818 56 S HN 0.605 nan 8.310 nan 0.000 0.472 57 S N 1.103 116.885 115.700 0.136 0.000 2.942 57 S HA 0.322 4.793 4.470 0.000 0.000 0.244 57 S C 0.992 175.657 174.600 0.109 0.000 1.011 57 S CA 0.243 58.499 58.200 0.094 0.000 1.102 57 S CB -0.857 62.377 63.200 0.058 0.000 0.812 57 S HN 0.645 nan 8.310 nan 0.000 0.486 58 G N 0.858 109.730 108.800 0.119 0.000 2.372 58 G HA2 -0.175 3.786 3.960 0.000 0.000 0.290 58 G HA3 -0.175 3.786 3.960 0.000 0.000 0.290 58 G C -0.547 174.432 174.900 0.131 0.000 0.965 58 G CA 0.478 45.641 45.100 0.105 0.000 1.263 58 G HN 0.847 nan 8.290 nan 0.000 0.498 59 L N -0.366 120.976 121.223 0.199 0.000 2.422 59 L HA 0.767 5.108 4.340 0.000 0.000 0.264 59 L C -0.332 176.720 176.870 0.303 0.000 0.984 59 L CA -1.520 53.467 54.840 0.245 0.000 0.819 59 L CB 1.605 43.818 42.059 0.257 0.000 1.330 59 L HN 0.037 nan 8.230 nan 0.000 0.410 60 K N 2.202 122.784 120.400 0.303 0.000 2.154 60 K HA 0.828 5.148 4.320 0.000 0.000 0.264 60 K C -0.144 176.777 176.600 0.535 0.000 1.008 60 K CA -0.176 56.334 56.287 0.371 0.000 0.937 60 K CB 1.332 34.046 32.500 0.356 0.000 1.002 60 K HN 0.910 nan 8.250 nan 0.000 0.469 61 G N 1.047 110.056 108.800 0.349 0.000 2.667 61 G HA2 0.477 4.437 3.960 0.000 0.000 0.294 61 G HA3 0.477 4.437 3.960 0.000 0.000 0.294 61 G C -1.241 173.641 174.900 -0.029 0.000 1.467 61 G CA -0.912 44.176 45.100 -0.021 0.000 0.852 61 G HN 0.457 nan 8.290 nan 0.000 0.521 62 M N 0.351 119.857 119.600 -0.157 0.000 2.243 62 M HA 0.638 5.118 4.480 0.000 0.000 0.324 62 M C -0.230 176.048 176.300 -0.036 0.000 1.031 62 M CA -0.716 54.582 55.300 -0.003 0.000 0.949 62 M CB 1.977 34.651 32.600 0.123 0.000 1.615 62 M HN 0.213 nan 8.290 nan 0.000 0.430 63 S N 3.572 119.256 115.700 -0.027 0.000 2.571 63 S HA 0.109 4.579 4.470 0.000 0.000 0.297 63 S C 0.543 175.139 174.600 -0.006 0.000 1.234 63 S CA -0.412 57.773 58.200 -0.025 0.000 1.120 63 S CB 0.157 63.340 63.200 -0.029 0.000 0.923 63 S HN 0.667 nan 8.310 nan 0.000 0.504 64 L N 3.055 124.272 121.223 -0.010 0.000 2.575 64 L HA 0.359 4.700 4.340 0.000 0.000 0.228 64 L C 0.201 177.072 176.870 0.001 0.000 1.075 64 L CA 0.722 55.564 54.840 0.002 0.000 0.867 64 L CB 0.005 42.058 42.059 -0.011 0.000 1.097 64 L HN 0.394 nan 8.230 nan 0.000 0.485 65 N N -0.136 118.561 118.700 -0.006 0.000 2.716 65 N HA 0.353 5.093 4.740 0.000 0.000 0.253 65 N C -1.334 174.173 175.510 -0.005 0.000 1.170 65 N CA -0.278 52.770 53.050 -0.004 0.000 0.807 65 N CB 0.829 39.309 38.487 -0.011 0.000 1.183 65 N HN -0.187 nan 8.380 nan 0.000 0.524 66 L N 1.486 122.707 121.223 -0.004 0.000 2.360 66 L HA 0.323 4.663 4.340 0.000 0.000 0.276 66 L C 0.669 177.534 176.870 -0.008 0.000 1.121 66 L CA 0.562 55.397 54.840 -0.009 0.000 0.845 66 L CB 0.157 42.211 42.059 -0.009 0.000 1.143 66 L HN 0.402 nan 8.230 nan 0.000 0.452 67 E N 3.672 123.865 120.200 -0.011 0.000 2.416 67 E HA 0.374 4.724 4.350 0.000 0.000 0.273 67 E C -1.856 174.737 176.600 -0.012 0.000 0.935 67 E CA -1.526 54.870 56.400 -0.008 0.000 0.784 67 E CB 1.480 31.179 29.700 -0.003 0.000 1.301 67 E HN 0.268 nan 8.360 nan 0.000 0.454 68 P HA -0.182 nan 4.420 nan 0.000 0.217 68 P C -0.109 177.185 177.300 -0.009 0.000 1.148 68 P CA 1.509 64.605 63.100 -0.007 0.000 0.834 68 P CB 0.104 31.804 31.700 0.000 0.000 0.783 69 D N -2.607 117.793 120.400 0.000 0.000 2.760 69 D HA 0.156 4.796 4.640 0.000 0.000 0.314 69 D C -0.369 175.946 176.300 0.025 0.000 1.464 69 D CA -0.699 53.309 54.000 0.014 0.000 0.797 69 D CB -1.159 39.675 40.800 0.057 0.000 1.149 69 D HN 0.329 nan 8.370 nan 0.000 0.455 70 N N -2.684 116.010 118.700 -0.011 0.000 4.173 70 N HA 0.169 4.910 4.740 0.000 0.000 0.218 70 N C -0.932 174.570 175.510 -0.013 0.000 1.312 70 N CA -0.849 52.201 53.050 -0.000 0.000 0.834 70 N CB 0.665 39.178 38.487 0.044 0.000 1.467 70 N HN -0.218 nan 8.380 nan 0.000 0.468 71 V N -0.665 119.246 119.914 -0.006 0.000 3.645 71 V HA 0.494 4.614 4.120 0.000 0.000 0.275 71 V C 1.149 177.243 176.094 -0.000 0.000 1.356 71 V CA 0.287 62.581 62.300 -0.010 0.000 1.051 71 V CB -0.269 31.540 31.823 -0.023 0.000 0.828 71 V HN 1.239 nan 8.190 nan 0.000 0.441 72 G N 2.155 110.963 108.800 0.014 0.000 2.222 72 G HA2 -0.166 3.795 3.960 0.000 0.000 0.234 72 G HA3 -0.166 3.795 3.960 0.000 0.000 0.234 72 G C -0.276 174.626 174.900 0.005 0.000 0.698 72 G CA 0.499 45.605 45.100 0.010 0.000 1.094 72 G HN 0.411 nan 8.290 nan 0.000 0.316 73 V N 3.309 123.243 119.914 0.033 0.000 2.532 73 V HA 0.589 4.709 4.120 0.000 0.000 0.295 73 V C 0.839 176.933 176.094 -0.000 0.000 1.041 73 V CA -0.701 61.613 62.300 0.024 0.000 0.926 73 V CB 1.834 33.707 31.823 0.084 0.000 0.992 73 V HN 0.893 nan 8.190 nan 0.000 0.457 74 V N 6.180 126.038 119.914 -0.092 0.000 2.385 74 V HA 0.407 4.527 4.120 0.000 0.000 0.269 74 V C 0.028 175.969 176.094 -0.255 0.000 1.043 74 V CA -0.048 62.151 62.300 -0.169 0.000 0.906 74 V CB 1.568 33.255 31.823 -0.226 0.000 0.995 74 V HN 0.659 nan 8.190 nan 0.000 0.467 75 V N 8.580 128.419 119.914 -0.126 0.000 2.530 75 V HA 0.301 4.422 4.120 0.000 0.000 0.282 75 V C -0.025 176.010 176.094 -0.098 0.000 1.048 75 V CA -0.094 62.181 62.300 -0.041 0.000 0.997 75 V CB 1.003 32.806 31.823 -0.035 0.000 0.987 75 V HN 0.755 nan 8.190 nan 0.000 0.477 76 F N 4.060 124.106 119.950 0.159 0.000 2.445 76 F HA 0.600 5.127 4.527 0.000 0.000 0.359 76 F C 0.958 176.813 175.800 0.092 0.000 1.101 76 F CA 0.279 58.353 58.000 0.122 0.000 1.177 76 F CB 0.561 39.634 39.000 0.122 0.000 1.110 76 F HN 0.766 nan 8.300 nan 0.000 0.522 77 G N 3.648 112.602 108.800 0.257 0.000 2.764 77 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 77 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 77 G C -0.354 174.596 174.900 0.084 0.000 1.258 77 G CA -0.954 44.238 45.100 0.153 0.000 0.846 77 G HN 0.874 nan 8.290 nan 0.000 0.596 78 N N 1.570 120.304 118.700 0.057 0.000 2.058 78 N HA -0.114 4.626 4.740 0.000 0.000 0.272 78 N C 1.084 176.591 175.510 -0.004 0.000 1.224 78 N CA 0.577 53.640 53.050 0.023 0.000 0.826 78 N CB 0.550 39.051 38.487 0.022 0.000 1.062 78 N HN 0.640 nan 8.380 nan 0.000 0.472 79 D N 2.021 122.403 120.400 -0.029 0.000 2.106 79 D HA -0.221 4.419 4.640 0.000 0.000 0.194 79 D C 1.639 177.898 176.300 -0.067 0.000 0.988 79 D CA 1.239 55.200 54.000 -0.065 0.000 0.845 79 D CB -0.242 40.518 40.800 -0.067 0.000 0.990 79 D HN 0.637 nan 8.370 nan 0.000 0.448 80 K N -0.238 120.136 120.400 -0.044 0.000 2.946 80 K HA -0.354 3.967 4.320 0.000 0.000 0.223 80 K C 1.988 178.561 176.600 -0.044 0.000 0.755 80 K CA 3.026 59.292 56.287 -0.035 0.000 1.073 80 K CB -0.958 31.532 32.500 -0.018 0.000 1.272 80 K HN 0.150 nan 8.250 nan 0.000 0.624 81 L N 0.500 121.696 121.223 -0.045 0.000 2.109 81 L HA 0.144 4.484 4.340 0.000 0.000 0.207 81 L C 1.120 177.940 176.870 -0.083 0.000 1.086 81 L CA 0.746 55.560 54.840 -0.043 0.000 0.760 81 L CB -0.639 41.410 42.059 -0.016 0.000 0.910 81 L HN 0.160 nan 8.230 nan 0.000 0.437 82 I N 2.843 123.316 120.570 -0.162 0.000 2.581 82 I HA 0.143 4.313 4.170 0.000 0.000 0.285 82 I C 0.124 176.124 176.117 -0.195 0.000 1.129 82 I CA 0.415 61.537 61.300 -0.298 0.000 1.397 82 I CB -0.967 36.700 38.000 -0.554 0.000 1.399 82 I HN 0.482 nan 8.210 nan 0.000 0.537 83 K N 4.218 124.540 120.400 -0.130 0.000 2.523 83 K HA 0.339 4.660 4.320 0.000 0.000 0.257 83 K C -0.317 176.259 176.600 -0.040 0.000 0.932 83 K CA -0.896 55.345 56.287 -0.076 0.000 0.812 83 K CB 1.411 33.882 32.500 -0.049 0.000 1.326 83 K HN 0.365 nan 8.250 nan 0.000 0.433 84 E N 1.209 121.390 120.200 -0.032 0.000 3.359 84 E HA -0.205 4.145 4.350 0.000 0.000 0.219 84 E C 0.205 176.807 176.600 0.005 0.000 1.052 84 E CA 1.589 57.983 56.400 -0.010 0.000 0.906 84 E CB -1.036 28.656 29.700 -0.015 0.000 0.939 84 E HN 0.918 nan 8.360 nan 0.000 0.543 85 G N 3.797 112.613 108.800 0.026 0.000 2.813 85 G HA2 -0.188 3.772 3.960 0.000 0.000 0.194 85 G HA3 -0.188 3.772 3.960 0.000 0.000 0.194 85 G C -0.222 174.716 174.900 0.065 0.000 1.010 85 G CA -0.253 44.869 45.100 0.037 0.000 0.771 85 G HN 0.540 nan 8.290 nan 0.000 0.485 86 D N 1.828 122.273 120.400 0.075 0.000 2.658 86 D HA 0.153 4.794 4.640 0.000 0.000 0.230 86 D C 1.095 177.494 176.300 0.166 0.000 1.118 86 D CA 0.264 54.337 54.000 0.121 0.000 0.848 86 D CB 0.483 41.368 40.800 0.143 0.000 1.160 86 D HN 0.136 nan 8.370 nan 0.000 0.497 87 I N 3.054 123.701 120.570 0.128 0.000 2.648 87 I HA -0.015 4.156 4.170 0.000 0.000 0.284 87 I C 0.269 176.449 176.117 0.106 0.000 1.153 87 I CA -0.011 61.350 61.300 0.100 0.000 1.426 87 I CB 0.718 38.758 38.000 0.067 0.000 1.381 87 I HN 0.032 nan 8.210 nan 0.000 0.571 88 V N 7.227 127.168 119.914 0.044 0.000 2.495 88 V HA 0.412 4.532 4.120 0.000 0.000 0.298 88 V C -0.068 175.978 176.094 -0.081 0.000 1.031 88 V CA -0.983 61.272 62.300 -0.075 0.000 0.871 88 V CB 1.950 33.679 31.823 -0.156 0.000 0.988 88 V HN 0.599 nan 8.190 nan 0.000 0.432 89 K N 2.788 123.123 120.400 -0.108 0.000 2.156 89 K HA 0.618 4.938 4.320 0.000 0.000 0.250 89 K C -0.234 176.316 176.600 -0.085 0.000 0.955 89 K CA -0.633 55.613 56.287 -0.070 0.000 0.855 89 K CB 1.435 33.912 32.500 -0.039 0.000 1.101 89 K HN 0.544 nan 8.250 nan 0.000 0.434 90 R N 0.725 121.193 120.500 -0.054 0.000 2.357 90 R HA 0.290 4.630 4.340 0.000 0.000 0.296 90 R C -0.485 175.796 176.300 -0.031 0.000 1.052 90 R CA -0.143 55.930 56.100 -0.046 0.000 0.988 90 R CB 1.027 31.306 30.300 -0.034 0.000 1.025 90 R HN 0.503 nan 8.270 nan 0.000 0.469 91 T N 1.594 116.132 114.554 -0.026 0.000 3.466 91 T HA 0.124 4.475 4.350 0.000 0.000 0.297 91 T C 0.471 175.168 174.700 -0.005 0.000 1.640 91 T CA -0.554 61.540 62.100 -0.011 0.000 1.631 91 T CB 0.972 69.839 68.868 -0.003 0.000 0.928 91 T HN 0.798 nan 8.240 nan 0.000 0.688 92 G N 1.992 110.787 108.800 -0.007 0.000 2.459 92 G HA2 0.368 4.328 3.960 0.000 0.000 0.290 92 G HA3 0.368 4.328 3.960 0.000 0.000 0.290 92 G C 0.170 175.071 174.900 0.001 0.000 0.646 92 G CA 0.007 45.105 45.100 -0.004 0.000 2.078 92 G HN 0.883 nan 8.290 nan 0.000 0.508 93 A N 3.184 126.007 122.820 0.005 0.000 2.495 93 A HA 0.466 4.786 4.320 0.000 0.000 0.297 93 A C 0.125 177.717 177.584 0.014 0.000 1.036 93 A CA -0.810 51.232 52.037 0.008 0.000 0.982 93 A CB 0.310 19.314 19.000 0.008 0.000 1.476 93 A HN 0.504 nan 8.150 nan 0.000 0.393 94 I N 1.223 121.800 120.570 0.012 0.000 3.141 94 I HA -0.098 4.072 4.170 0.000 0.000 0.295 94 I C 0.910 177.039 176.117 0.020 0.000 1.252 94 I CA 0.111 61.420 61.300 0.015 0.000 1.406 94 I CB 0.579 38.582 38.000 0.005 0.000 1.333 94 I HN 0.433 nan 8.210 nan 0.000 0.594 95 V N 5.415 125.348 119.914 0.033 0.000 2.655 95 V HA -0.136 3.984 4.120 0.000 0.000 0.273 95 V C 0.341 176.439 176.094 0.007 0.000 0.957 95 V CA 0.689 63.013 62.300 0.041 0.000 1.167 95 V CB -1.592 30.273 31.823 0.071 0.000 0.923 95 V HN 0.747 nan 8.190 nan 0.000 0.462 96 D N 4.554 124.957 120.400 0.005 0.000 2.419 96 D HA 0.757 5.397 4.640 0.000 0.000 0.234 96 D C -0.404 175.885 176.300 -0.019 0.000 1.014 96 D CA -0.484 53.511 54.000 -0.007 0.000 0.919 96 D CB 2.759 43.557 40.800 -0.003 0.000 1.366 96 D HN 0.373 nan 8.370 nan 0.000 0.490 97 V N -4.299 115.602 119.914 -0.021 0.000 3.182 97 V HA 0.648 4.769 4.120 0.000 0.000 0.308 97 V C -3.127 172.954 176.094 -0.022 0.000 1.240 97 V CA -2.398 59.883 62.300 -0.031 0.000 1.063 97 V CB 1.414 33.213 31.823 -0.040 0.000 1.076 97 V HN 0.378 nan 8.190 nan 0.000 0.446 98 P HA 0.647 nan 4.420 nan 0.000 0.277 98 P C -0.935 176.350 177.300 -0.025 0.000 1.240 98 P CA -0.070 63.019 63.100 -0.018 0.000 0.798 98 P CB 1.414 33.103 31.700 -0.019 0.000 0.979 99 V N 0.469 120.369 119.914 -0.023 0.000 3.301 99 V HA 0.853 4.973 4.120 0.000 0.000 0.291 99 V C -0.687 175.360 176.094 -0.078 0.000 1.549 99 V CA 0.324 62.593 62.300 -0.052 0.000 1.061 99 V CB 1.701 33.502 31.823 -0.037 0.000 1.154 99 V HN 0.891 nan 8.190 nan 0.000 0.466 100 G N 1.546 110.202 108.800 -0.240 0.000 2.361 100 G HA2 0.108 4.069 3.960 0.000 0.000 0.331 100 G HA3 0.108 4.069 3.960 0.000 0.000 0.331 100 G C -0.289 174.316 174.900 -0.492 0.000 1.324 100 G CA 0.158 44.980 45.100 -0.463 0.000 0.984 100 G HN 0.663 nan 8.290 nan 0.000 0.586 101 D N -0.167 119.959 120.400 -0.457 0.000 2.224 101 D HA -0.044 4.596 4.640 0.000 0.000 0.205 101 D C 2.150 178.424 176.300 -0.043 0.000 0.965 101 D CA 1.342 55.243 54.000 -0.165 0.000 0.852 101 D CB 0.200 40.959 40.800 -0.067 0.000 0.947 101 D HN 0.636 nan 8.370 nan 0.000 0.494 102 E N 0.481 120.648 120.200 -0.054 0.000 2.086 102 E HA -0.204 4.146 4.350 0.000 0.000 0.200 102 E C 1.755 178.353 176.600 -0.003 0.000 1.012 102 E CA 0.717 57.106 56.400 -0.017 0.000 0.812 102 E CB -0.081 29.608 29.700 -0.018 0.000 0.743 102 E HN 0.160 nan 8.360 nan 0.000 0.453 103 L N 0.912 122.130 121.223 -0.008 0.000 2.642 103 L HA -0.069 4.272 4.340 0.000 0.000 0.236 103 L C 0.748 177.640 176.870 0.037 0.000 1.169 103 L CA 0.753 55.600 54.840 0.010 0.000 0.851 103 L CB -0.600 41.462 42.059 0.005 0.000 0.968 103 L HN 0.156 nan 8.230 nan 0.000 0.453 104 L N 0.365 121.618 121.223 0.050 0.000 2.426 104 L HA 0.231 4.572 4.340 0.000 0.000 0.271 104 L C 1.366 178.248 176.870 0.019 0.000 1.169 104 L CA 0.979 55.855 54.840 0.060 0.000 0.836 104 L CB 0.105 42.212 42.059 0.080 0.000 1.112 104 L HN 0.507 nan 8.230 nan 0.000 0.465 105 G N 3.993 112.790 108.800 -0.005 0.000 2.176 105 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 105 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 105 G C 0.479 175.363 174.900 -0.027 0.000 1.024 105 G CA 0.192 45.274 45.100 -0.030 0.000 0.755 105 G HN 0.613 nan 8.290 nan 0.000 0.507 106 R N -1.853 118.635 120.500 -0.019 0.000 2.922 106 R HA 0.771 5.111 4.340 0.000 0.000 0.256 106 R C -0.955 175.335 176.300 -0.016 0.000 1.138 106 R CA -0.722 55.368 56.100 -0.016 0.000 0.995 106 R CB 2.169 32.466 30.300 -0.005 0.000 1.226 106 R HN 0.296 nan 8.270 nan 0.000 0.481 107 V N 1.387 121.294 119.914 -0.012 0.000 2.612 107 V HA 0.449 4.569 4.120 0.000 0.000 0.301 107 V C -0.296 175.799 176.094 0.000 0.000 1.059 107 V CA -0.847 61.449 62.300 -0.007 0.000 0.886 107 V CB 1.492 33.304 31.823 -0.018 0.000 1.007 107 V HN 0.647 nan 8.190 nan 0.000 0.426 108 V N 0.262 120.180 119.914 0.007 0.000 3.155 108 V HA 0.764 4.884 4.120 0.000 0.000 0.313 108 V C 0.522 176.621 176.094 0.009 0.000 1.162 108 V CA -0.525 61.777 62.300 0.004 0.000 1.048 108 V CB 2.039 33.861 31.823 -0.002 0.000 1.092 108 V HN 0.742 nan 8.190 nan 0.000 0.447 109 D N 2.079 122.482 120.400 0.004 0.000 1.585 109 D HA 0.264 4.905 4.640 0.000 0.000 0.318 109 D C 0.517 176.820 176.300 0.004 0.000 1.129 109 D CA 1.238 55.243 54.000 0.007 0.000 0.954 109 D CB -0.270 40.532 40.800 0.002 0.000 1.611 109 D HN 1.565 nan 8.370 nan 0.000 0.555 110 A N -1.359 121.451 122.820 -0.016 0.000 2.913 110 A HA 0.514 4.834 4.320 0.000 0.000 0.284 110 A C -0.113 177.424 177.584 -0.078 0.000 1.273 110 A CA -0.408 51.614 52.037 -0.024 0.000 0.899 110 A CB -0.478 18.525 19.000 0.005 0.000 1.444 110 A HN 0.413 nan 8.150 nan 0.000 0.586 111 L N -0.260 120.909 121.223 -0.090 0.000 5.779 111 L HA 0.328 4.669 4.340 0.000 0.000 0.585 111 L C 0.980 177.794 176.870 -0.092 0.000 0.604 111 L CA 0.675 55.428 54.840 -0.145 0.000 2.463 111 L CB -0.122 41.790 42.059 -0.245 0.000 1.850 111 L HN 1.475 nan 8.230 nan 0.000 0.564 112 G N 0.936 109.702 108.800 -0.058 0.000 2.475 112 G HA2 -0.231 3.729 3.960 0.000 0.000 0.198 112 G HA3 -0.231 3.729 3.960 0.000 0.000 0.198 112 G C -0.213 174.671 174.900 -0.027 0.000 2.226 112 G CA -0.086 44.990 45.100 -0.039 0.000 1.626 112 G HN 0.362 nan 8.290 nan 0.000 0.534 113 N N 2.483 121.167 118.700 -0.026 0.000 2.292 113 N HA 0.347 5.087 4.740 0.000 0.000 0.258 113 N C 0.648 176.152 175.510 -0.009 0.000 1.261 113 N CA 0.378 53.419 53.050 -0.015 0.000 0.845 113 N CB 0.973 39.453 38.487 -0.012 0.000 1.064 113 N HN 1.095 nan 8.380 nan 0.000 0.471 114 A N 2.198 125.015 122.820 -0.006 0.000 2.536 114 A HA 0.167 4.487 4.320 0.000 0.000 0.234 114 A C 1.364 178.947 177.584 -0.001 0.000 1.076 114 A CA -0.017 52.019 52.037 -0.003 0.000 0.769 114 A CB -0.067 18.931 19.000 -0.003 0.000 1.020 114 A HN 0.903 nan 8.150 nan 0.000 0.508 115 I N -2.931 117.639 120.570 0.000 0.000 4.228 115 I HA 0.171 4.341 4.170 0.000 0.000 0.298 115 I C 0.646 176.763 176.117 0.000 0.000 1.206 115 I CA 0.398 61.699 61.300 0.002 0.000 1.322 115 I CB -0.215 37.789 38.000 0.006 0.000 1.411 115 I HN 0.475 nan 8.210 nan 0.000 0.454 116 D N 2.970 123.368 120.400 -0.004 0.000 2.801 116 D HA 0.002 4.642 4.640 0.000 0.000 0.249 116 D C 1.552 177.848 176.300 -0.006 0.000 1.273 116 D CA 0.584 54.579 54.000 -0.007 0.000 0.953 116 D CB -1.080 39.712 40.800 -0.014 0.000 1.134 116 D HN 0.594 nan 8.370 nan 0.000 0.449 117 G N 0.844 109.642 108.800 -0.003 0.000 2.429 117 G HA2 -0.410 3.550 3.960 0.000 0.000 0.314 117 G HA3 -0.410 3.550 3.960 0.000 0.000 0.314 117 G C 0.835 175.733 174.900 -0.003 0.000 0.957 117 G CA 0.728 45.827 45.100 -0.002 0.000 0.806 117 G HN 0.530 nan 8.290 nan 0.000 0.511 118 K N 0.158 120.555 120.400 -0.004 0.000 2.551 118 K HA 0.409 4.730 4.320 0.000 0.000 0.204 118 K C 1.580 178.178 176.600 -0.002 0.000 1.033 118 K CA 0.304 56.589 56.287 -0.004 0.000 1.187 118 K CB -0.089 32.407 32.500 -0.007 0.000 0.900 118 K HN 1.028 nan 8.250 nan 0.000 0.499 119 G N 2.503 111.303 108.800 -0.001 0.000 2.681 119 G HA2 -0.210 3.751 3.960 0.000 0.000 0.220 119 G HA3 -0.210 3.751 3.960 0.000 0.000 0.220 119 G C -2.665 172.235 174.900 0.001 0.000 1.353 119 G CA -0.981 44.120 45.100 0.001 0.000 0.872 119 G HN 0.133 nan 8.290 nan 0.000 0.557 120 P HA 0.553 nan 4.420 nan 0.000 0.276 120 P C -0.088 177.213 177.300 0.001 0.000 1.252 120 P CA -0.186 62.914 63.100 0.002 0.000 0.802 120 P CB 1.494 33.195 31.700 0.003 0.000 1.035 121 V N -0.111 119.803 119.914 -0.000 0.000 2.656 121 V HA 0.259 4.379 4.120 0.000 0.000 0.312 121 V C 0.985 177.078 176.094 -0.001 0.000 1.181 121 V CA -0.536 61.764 62.300 -0.001 0.000 1.250 121 V CB 0.374 32.195 31.823 -0.004 0.000 1.468 121 V HN 0.806 nan 8.190 nan 0.000 0.651 122 G N 1.248 110.049 108.800 0.001 0.000 2.209 122 G HA2 0.248 4.208 3.960 0.000 0.000 0.271 122 G HA3 0.248 4.208 3.960 0.000 0.000 0.271 122 G C 0.282 175.184 174.900 0.003 0.000 1.111 122 G CA 0.439 45.540 45.100 0.003 0.000 1.092 122 G HN 0.483 nan 8.290 nan 0.000 0.416 123 S N 0.988 116.689 115.700 0.001 0.000 2.632 123 S HA 0.397 4.867 4.470 0.000 0.000 0.271 123 S C 1.083 175.690 174.600 0.011 0.000 1.260 123 S CA -0.737 57.465 58.200 0.003 0.000 1.010 123 S CB 1.647 64.844 63.200 -0.005 0.000 0.965 123 S HN 0.795 nan 8.310 nan 0.000 0.534 124 K N -0.164 120.248 120.400 0.020 0.000 2.501 124 K HA 0.395 4.716 4.320 0.000 0.000 0.204 124 K C -0.954 175.668 176.600 0.037 0.000 1.067 124 K CA -0.122 56.181 56.287 0.026 0.000 1.060 124 K CB -0.115 32.401 32.500 0.027 0.000 0.873 124 K HN 0.367 nan 8.250 nan 0.000 0.540 125 I N 1.954 122.551 120.570 0.044 0.000 2.540 125 I HA 0.306 4.476 4.170 0.000 0.000 0.280 125 I C -0.262 175.885 176.117 0.051 0.000 1.083 125 I CA -0.681 60.658 61.300 0.065 0.000 1.080 125 I CB 1.437 39.516 38.000 0.131 0.000 1.205 125 I HN -0.010 nan 8.210 nan 0.000 0.459 126 R N 3.087 123.606 120.500 0.032 0.000 2.584 126 R HA 0.693 5.033 4.340 0.000 0.000 0.253 126 R C -0.173 176.139 176.300 0.019 0.000 1.251 126 R CA -1.078 55.033 56.100 0.018 0.000 1.129 126 R CB 0.444 30.749 30.300 0.008 0.000 1.239 126 R HN 0.376 nan 8.270 nan 0.000 0.595 127 R N 0.270 120.772 120.500 0.004 0.000 3.008 127 R HA 0.124 4.464 4.340 0.000 0.000 0.284 127 R C -0.999 175.295 176.300 -0.011 0.000 1.187 127 R CA -0.267 55.831 56.100 -0.003 0.000 1.139 127 R CB 0.662 30.959 30.300 -0.006 0.000 1.273 127 R HN 0.594 nan 8.270 nan 0.000 0.410 128 R N 2.070 122.563 120.500 -0.011 0.000 2.784 128 R HA 0.125 4.465 4.340 0.000 0.000 0.266 128 R C 0.700 176.989 176.300 -0.019 0.000 1.044 128 R CA 0.703 56.795 56.100 -0.014 0.000 1.151 128 R CB 0.724 31.016 30.300 -0.013 0.000 1.037 128 R HN 0.500 nan 8.270 nan 0.000 0.478 129 V N 0.790 120.689 119.914 -0.026 0.000 3.431 129 V HA 0.262 4.382 4.120 0.000 0.000 0.253 129 V C 1.390 177.445 176.094 -0.065 0.000 1.184 129 V CA 1.146 63.431 62.300 -0.026 0.000 1.104 129 V CB 0.172 31.988 31.823 -0.011 0.000 0.799 129 V HN 0.852 nan 8.190 nan 0.000 0.462 130 G N 1.053 109.807 108.800 -0.077 0.000 2.776 130 G HA2 0.015 3.975 3.960 0.000 0.000 0.209 130 G HA3 0.015 3.975 3.960 0.000 0.000 0.209 130 G C 0.513 175.376 174.900 -0.063 0.000 1.145 130 G CA 0.206 45.248 45.100 -0.097 0.000 0.791 130 G HN 0.459 nan 8.290 nan 0.000 0.530 131 L N 0.463 121.660 121.223 -0.043 0.000 2.506 131 L HA 0.229 4.569 4.340 0.000 0.000 0.281 131 L C 0.648 177.502 176.870 -0.026 0.000 1.228 131 L CA -0.002 54.820 54.840 -0.030 0.000 0.850 131 L CB 0.479 42.520 42.059 -0.030 0.000 1.110 131 L HN 0.007 nan 8.230 nan 0.000 0.496 132 K N 3.470 123.862 120.400 -0.014 0.000 2.174 132 K HA 0.583 4.903 4.320 0.000 0.000 0.275 132 K C -0.435 176.156 176.600 -0.016 0.000 1.015 132 K CA -0.417 55.870 56.287 -0.001 0.000 0.933 132 K CB 0.998 33.506 32.500 0.013 0.000 1.025 132 K HN 0.856 nan 8.250 nan 0.000 0.463 133 A N 5.317 128.131 122.820 -0.009 0.000 2.498 133 A HA 0.135 4.455 4.320 0.000 0.000 0.239 133 A C -1.826 175.734 177.584 -0.040 0.000 1.068 133 A CA -0.994 51.027 52.037 -0.027 0.000 0.766 133 A CB -0.249 18.743 19.000 -0.013 0.000 1.003 133 A HN 0.708 nan 8.150 nan 0.000 0.497 134 P HA 0.196 nan 4.420 nan 0.000 0.199 134 P C 0.896 178.167 177.300 -0.049 0.000 1.085 134 P CA 1.673 64.708 63.100 -0.109 0.000 0.924 134 P CB -0.022 31.545 31.700 -0.222 0.000 0.736 135 G N -3.197 105.575 108.800 -0.046 0.000 2.343 135 G HA2 0.025 3.985 3.960 0.000 0.000 0.289 135 G HA3 0.025 3.985 3.960 0.000 0.000 0.289 135 G C 0.346 175.249 174.900 0.004 0.000 1.295 135 G CA -0.386 44.710 45.100 -0.007 0.000 0.869 135 G HN 0.109 nan 8.290 nan 0.000 0.522 136 I N 1.276 121.857 120.570 0.018 0.000 2.194 136 I HA -0.174 3.996 4.170 0.000 0.000 0.246 136 I C 2.788 178.927 176.117 0.036 0.000 1.093 136 I CA 1.829 63.143 61.300 0.022 0.000 1.355 136 I CB -0.339 37.674 38.000 0.023 0.000 1.046 136 I HN 0.561 nan 8.210 nan 0.000 0.413 137 I N -0.189 120.415 120.570 0.057 0.000 2.193 137 I HA -0.053 4.118 4.170 0.000 0.000 0.240 137 I C -0.247 175.956 176.117 0.143 0.000 1.084 137 I CA 1.508 62.862 61.300 0.089 0.000 1.365 137 I CB -3.304 34.754 38.000 0.097 0.000 1.064 137 I HN 0.128 nan 8.210 nan 0.000 0.410 138 P HA -0.095 nan 4.420 nan 0.000 0.215 138 P C 0.554 177.896 177.300 0.070 0.000 1.153 138 P CA 1.408 64.630 63.100 0.203 0.000 0.853 138 P CB -0.046 31.512 31.700 -0.237 0.000 0.788 139 R N -0.982 119.522 120.500 0.006 0.000 2.594 139 R HA 0.248 4.588 4.340 0.000 0.000 0.272 139 R C 0.950 177.262 176.300 0.020 0.000 1.074 139 R CA -0.187 55.910 56.100 -0.006 0.000 1.105 139 R CB 0.339 30.627 30.300 -0.020 0.000 1.008 139 R HN 0.079 nan 8.270 nan 0.000 0.472 140 I N -0.503 120.074 120.570 0.012 0.000 4.398 140 I HA 0.231 4.401 4.170 0.000 0.000 0.240 140 I C -0.440 175.681 176.117 0.007 0.000 1.053 140 I CA 0.493 61.803 61.300 0.016 0.000 1.750 140 I CB 0.847 38.860 38.000 0.021 0.000 1.561 140 I HN 0.515 nan 8.210 nan 0.000 0.454 141 S N -0.474 115.226 115.700 0.000 0.000 2.535 141 S HA 0.521 4.992 4.470 0.000 0.000 0.272 141 S C -1.449 173.146 174.600 -0.009 0.000 1.149 141 S CA -0.647 57.552 58.200 -0.002 0.000 0.888 141 S CB 1.186 64.388 63.200 0.002 0.000 1.110 141 S HN 0.063 nan 8.310 nan 0.000 0.463 142 V N 6.263 126.171 119.914 -0.010 0.000 2.370 142 V HA 0.431 4.552 4.120 0.000 0.000 0.257 142 V C 0.680 176.769 176.094 -0.008 0.000 1.064 142 V CA -0.030 62.262 62.300 -0.014 0.000 0.975 142 V CB -0.558 31.257 31.823 -0.012 0.000 1.067 142 V HN 0.810 nan 8.190 nan 0.000 0.485 143 R N 3.800 124.294 120.500 -0.011 0.000 2.950 143 R HA 0.617 4.957 4.340 0.000 0.000 0.253 143 R C -0.223 176.077 176.300 -0.001 0.000 1.168 143 R CA -0.751 55.348 56.100 -0.002 0.000 1.014 143 R CB 1.199 31.499 30.300 0.000 0.000 1.228 143 R HN 0.505 nan 8.270 nan 0.000 0.487 144 E N 0.973 121.181 120.200 0.013 0.000 2.613 144 E HA -0.097 4.254 4.350 0.000 0.000 0.161 144 E C -2.091 174.529 176.600 0.035 0.000 1.664 144 E CA -0.007 56.410 56.400 0.029 0.000 0.661 144 E CB -0.659 29.060 29.700 0.031 0.000 1.098 144 E HN 0.608 nan 8.360 nan 0.000 0.364 145 P HA 0.017 nan 4.420 nan 0.000 0.281 145 P C 0.318 177.654 177.300 0.061 0.000 1.274 145 P CA -0.059 63.064 63.100 0.039 0.000 0.794 145 P CB 0.389 32.111 31.700 0.035 0.000 1.201 146 M N -0.085 119.545 119.600 0.050 0.000 2.165 146 M HA 0.149 4.629 4.480 0.000 0.000 0.283 146 M C -0.901 175.415 176.300 0.028 0.000 0.978 146 M CA -0.582 54.749 55.300 0.052 0.000 0.948 146 M CB 1.677 34.300 32.600 0.039 0.000 1.599 146 M HN 0.156 nan 8.290 nan 0.000 0.450 147 Q N 3.521 123.336 119.800 0.024 0.000 2.296 147 Q HA 0.160 4.500 4.340 0.000 0.000 0.263 147 Q C 1.091 177.062 176.000 -0.048 0.000 1.026 147 Q CA 0.244 56.047 55.803 -0.000 0.000 0.912 147 Q CB 1.275 30.031 28.738 0.030 0.000 1.198 147 Q HN 0.902 nan 8.270 nan 0.000 0.407 148 T N -0.837 113.700 114.554 -0.029 0.000 2.851 148 T HA 0.056 4.406 4.350 0.000 0.000 0.262 148 T C 1.309 175.981 174.700 -0.046 0.000 1.043 148 T CA 0.964 63.041 62.100 -0.038 0.000 1.140 148 T CB 0.019 68.873 68.868 -0.023 0.000 0.872 148 T HN 0.812 nan 8.240 nan 0.000 0.446 149 G N 1.051 109.834 108.800 -0.028 0.000 2.213 149 G HA2 -0.148 3.812 3.960 0.000 0.000 0.226 149 G HA3 -0.148 3.812 3.960 0.000 0.000 0.226 149 G C -0.060 174.833 174.900 -0.011 0.000 0.992 149 G CA -0.145 44.942 45.100 -0.021 0.000 0.632 149 G HN 0.599 nan 8.290 nan 0.000 0.511 150 I N 2.726 123.288 120.570 -0.013 0.000 2.294 150 I HA 0.288 4.458 4.170 0.000 0.000 0.295 150 I C 1.587 177.707 176.117 0.006 0.000 1.098 150 I CA -0.182 61.115 61.300 -0.006 0.000 1.277 150 I CB 1.009 39.002 38.000 -0.012 0.000 1.434 150 I HN 0.109 nan 8.210 nan 0.000 0.498 151 K N 4.688 125.097 120.400 0.015 0.000 2.001 151 K HA -0.310 4.011 4.320 0.000 0.000 0.223 151 K C 2.108 178.718 176.600 0.018 0.000 1.055 151 K CA 2.005 58.305 56.287 0.021 0.000 0.965 151 K CB -0.459 32.060 32.500 0.032 0.000 0.730 151 K HN 0.729 nan 8.250 nan 0.000 0.449 152 A N 1.152 123.983 122.820 0.017 0.000 1.971 152 A HA -0.207 4.113 4.320 0.000 0.000 0.222 152 A C 2.415 180.005 177.584 0.010 0.000 1.182 152 A CA 2.147 54.192 52.037 0.014 0.000 0.649 152 A CB -0.844 18.164 19.000 0.014 0.000 0.818 152 A HN 0.148 nan 8.150 nan 0.000 0.458 153 V N -0.181 119.737 119.914 0.008 0.000 2.251 153 V HA -0.170 3.950 4.120 0.000 0.000 0.237 153 V C 2.246 178.345 176.094 0.008 0.000 1.040 153 V CA 1.892 64.196 62.300 0.007 0.000 1.005 153 V CB -0.905 30.919 31.823 0.001 0.000 0.645 153 V HN 0.480 nan 8.190 nan 0.000 0.458 154 D N 0.736 121.141 120.400 0.008 0.000 2.177 154 D HA -0.209 4.431 4.640 0.000 0.000 0.189 154 D C 2.442 178.750 176.300 0.014 0.000 1.002 154 D CA 2.374 56.380 54.000 0.011 0.000 0.845 154 D CB -0.492 40.316 40.800 0.013 0.000 0.960 154 D HN 0.557 nan 8.370 nan 0.000 0.447 155 S N 0.259 115.968 115.700 0.015 0.000 2.351 155 S HA -0.144 4.326 4.470 0.000 0.000 0.220 155 S C 2.354 176.960 174.600 0.011 0.000 1.035 155 S CA 0.893 59.102 58.200 0.015 0.000 1.031 155 S CB -0.842 62.369 63.200 0.018 0.000 0.928 155 S HN 0.249 nan 8.310 nan 0.000 0.433 156 L N 1.327 122.556 121.223 0.009 0.000 1.950 156 L HA 0.049 4.390 4.340 0.000 0.000 0.210 156 L C 1.416 178.293 176.870 0.010 0.000 1.079 156 L CA 1.491 56.336 54.840 0.007 0.000 0.754 156 L CB -0.635 41.429 42.059 0.008 0.000 0.889 156 L HN 0.461 nan 8.230 nan 0.000 0.433 157 V N -1.707 118.214 119.914 0.012 0.000 2.184 157 V HA 0.333 4.454 4.120 0.000 0.000 0.262 157 V C -2.526 173.575 176.094 0.011 0.000 1.209 157 V CA -2.032 60.277 62.300 0.014 0.000 1.070 157 V CB -0.337 31.497 31.823 0.018 0.000 1.244 157 V HN 0.048 nan 8.190 nan 0.000 0.477 158 P HA 0.298 nan 4.420 nan 0.000 0.267 158 P C -0.079 177.227 177.300 0.010 0.000 1.209 158 P CA 0.315 63.422 63.100 0.011 0.000 0.763 158 P CB 0.597 32.304 31.700 0.012 0.000 0.816 159 I N 2.751 123.326 120.570 0.009 0.000 2.396 159 I HA 0.394 4.564 4.170 0.000 0.000 0.292 159 I C 1.244 177.367 176.117 0.010 0.000 0.999 159 I CA -0.073 61.231 61.300 0.007 0.000 1.310 159 I CB 1.326 39.328 38.000 0.003 0.000 1.404 159 I HN 0.361 nan 8.210 nan 0.000 0.496 160 G N 4.815 113.619 108.800 0.006 0.000 2.491 160 G HA2 0.536 4.497 3.960 0.000 0.000 0.327 160 G HA3 0.536 4.497 3.960 0.000 0.000 0.327 160 G C -0.747 174.153 174.900 0.001 0.000 1.189 160 G CA -0.712 44.391 45.100 0.005 0.000 0.956 160 G HN 0.545 nan 8.290 nan 0.000 0.491 161 R N -0.668 119.829 120.500 -0.005 0.000 2.349 161 R HA 0.482 4.823 4.340 0.000 0.000 0.299 161 R C 0.992 177.268 176.300 -0.040 0.000 1.027 161 R CA 1.003 57.092 56.100 -0.019 0.000 0.958 161 R CB 0.901 31.181 30.300 -0.034 0.000 1.047 161 R HN 1.159 nan 8.270 nan 0.000 0.468 162 G N 2.288 111.067 108.800 -0.035 0.000 2.131 162 G HA2 -0.272 3.688 3.960 0.000 0.000 0.223 162 G HA3 -0.272 3.688 3.960 0.000 0.000 0.223 162 G C -0.373 174.511 174.900 -0.026 0.000 0.990 162 G CA 0.459 45.536 45.100 -0.039 0.000 0.671 162 G HN 0.629 nan 8.290 nan 0.000 0.521 163 Q N -1.195 118.595 119.800 -0.017 0.000 2.458 163 Q HA 0.854 5.194 4.340 0.000 0.000 0.282 163 Q C -0.586 175.408 176.000 -0.010 0.000 1.106 163 Q CA -1.387 54.408 55.803 -0.013 0.000 0.814 163 Q CB 1.303 30.035 28.738 -0.010 0.000 1.425 163 Q HN 0.118 nan 8.270 nan 0.000 0.437 164 R N 1.089 121.585 120.500 -0.007 0.000 2.207 164 R HA 0.328 4.668 4.340 0.000 0.000 0.334 164 R C -1.175 175.119 176.300 -0.009 0.000 1.013 164 R CA -0.510 55.587 56.100 -0.004 0.000 0.858 164 R CB 1.007 31.305 30.300 -0.004 0.000 1.094 164 R HN 0.640 nan 8.270 nan 0.000 0.457 165 E N 3.394 123.588 120.200 -0.010 0.000 2.101 165 E HA 0.184 4.534 4.350 0.000 0.000 0.260 165 E C -1.100 175.493 176.600 -0.011 0.000 0.897 165 E CA -0.426 55.968 56.400 -0.009 0.000 0.744 165 E CB 0.602 30.298 29.700 -0.008 0.000 1.140 165 E HN 0.553 nan 8.360 nan 0.000 0.419 166 L N 6.606 127.821 121.223 -0.012 0.000 2.361 166 L HA 0.336 4.676 4.340 0.000 0.000 0.278 166 L C -0.368 176.502 176.870 -0.001 0.000 1.113 166 L CA -0.423 54.407 54.840 -0.017 0.000 0.849 166 L CB 0.211 42.253 42.059 -0.028 0.000 1.155 166 L HN 0.690 nan 8.230 nan 0.000 0.452 167 I N 4.448 125.017 120.570 -0.002 0.000 2.337 167 I HA 0.423 4.593 4.170 0.000 0.000 0.285 167 I C -0.482 175.654 176.117 0.032 0.000 1.041 167 I CA -0.405 60.906 61.300 0.017 0.000 1.199 167 I CB 1.207 39.206 38.000 -0.002 0.000 1.370 167 I HN 0.535 nan 8.210 nan 0.000 0.470 168 I N 5.615 126.236 120.570 0.085 0.000 2.498 168 I HA 0.888 5.058 4.170 0.000 0.000 0.301 168 I C 0.097 176.346 176.117 0.219 0.000 0.984 168 I CA -0.139 61.234 61.300 0.121 0.000 1.204 168 I CB 1.693 39.742 38.000 0.080 0.000 1.362 168 I HN 0.878 nan 8.210 nan 0.000 0.471 169 G N 4.498 113.396 108.800 0.163 0.000 2.655 169 G HA2 0.285 4.246 3.960 0.000 0.000 0.296 169 G HA3 0.285 4.246 3.960 0.000 0.000 0.296 169 G C -1.910 173.033 174.900 0.072 0.000 1.485 169 G CA -0.719 44.443 45.100 0.102 0.000 0.869 169 G HN 0.595 nan 8.290 nan 0.000 0.540 170 D N 0.206 120.633 120.400 0.046 0.000 2.384 170 D HA 0.368 5.009 4.640 0.000 0.000 0.244 170 D C 0.900 177.199 176.300 -0.001 0.000 1.251 170 D CA -0.051 53.974 54.000 0.043 0.000 0.961 170 D CB 0.590 41.415 40.800 0.041 0.000 1.116 170 D HN 0.400 nan 8.370 nan 0.000 0.484 171 R N 0.656 121.170 120.500 0.024 0.000 2.697 171 R HA -0.030 4.310 4.340 0.000 0.000 0.265 171 R C -0.046 176.250 176.300 -0.008 0.000 1.009 171 R CA -0.016 56.096 56.100 0.020 0.000 1.099 171 R CB -0.057 30.270 30.300 0.045 0.000 0.965 171 R HN 0.442 nan 8.270 nan 0.000 0.428 172 Q N 0.684 120.474 119.800 -0.016 0.000 2.439 172 Q HA -0.230 4.110 4.340 0.000 0.000 0.361 172 Q C -0.781 175.081 176.000 -0.231 0.000 1.408 172 Q CA 1.653 57.431 55.803 -0.041 0.000 1.052 172 Q CB -1.111 27.669 28.738 0.071 0.000 1.233 172 Q HN 0.820 nan 8.270 nan 0.000 0.347 173 T N -1.185 113.156 114.554 -0.354 0.000 2.958 173 T HA 0.492 4.842 4.350 0.000 0.000 0.256 173 T C 1.163 175.417 174.700 -0.743 0.000 0.983 173 T CA 0.289 61.990 62.100 -0.664 0.000 0.924 173 T CB 0.991 69.624 68.868 -0.391 0.000 1.136 173 T HN 1.009 nan 8.240 nan 0.000 0.506 174 G N 1.827 110.393 108.800 -0.389 0.000 2.227 174 G HA2 -0.178 3.782 3.960 0.000 0.000 0.168 174 G HA3 -0.178 3.782 3.960 0.000 0.000 0.168 174 G C 0.831 175.666 174.900 -0.109 0.000 1.006 174 G CA 0.160 45.126 45.100 -0.223 0.000 0.684 174 G HN 0.364 nan 8.290 nan 0.000 0.489 175 K N 0.012 120.354 120.400 -0.097 0.000 2.173 175 K HA -0.109 4.211 4.320 0.000 0.000 0.207 175 K C 2.245 178.835 176.600 -0.016 0.000 1.046 175 K CA 1.930 58.189 56.287 -0.047 0.000 0.929 175 K CB -0.143 32.338 32.500 -0.031 0.000 0.720 175 K HN 0.428 nan 8.250 nan 0.000 0.453 176 T N -0.352 114.205 114.554 0.005 0.000 3.040 176 T HA -0.041 4.309 4.350 0.000 0.000 0.252 176 T C 2.033 176.756 174.700 0.038 0.000 1.064 176 T CA 0.829 62.963 62.100 0.057 0.000 1.110 176 T CB 0.141 69.073 68.868 0.107 0.000 0.921 176 T HN 0.299 nan 8.240 nan 0.000 0.480 177 S N 2.768 118.471 115.700 0.006 0.000 2.348 177 S HA -0.058 4.412 4.470 0.000 0.000 0.221 177 S C 2.061 176.627 174.600 -0.057 0.000 1.033 177 S CA 0.383 58.566 58.200 -0.028 0.000 1.010 177 S CB -0.779 62.421 63.200 -0.000 0.000 0.891 177 S HN 0.340 nan 8.310 nan 0.000 0.442 178 I N 3.158 123.706 120.570 -0.036 0.000 2.091 178 I HA -0.223 3.948 4.170 0.000 0.000 0.239 178 I C 2.619 178.717 176.117 -0.032 0.000 1.061 178 I CA 2.211 63.489 61.300 -0.036 0.000 1.317 178 I CB -1.558 36.424 38.000 -0.029 0.000 1.031 178 I HN 0.408 nan 8.210 nan 0.000 0.401 179 A N 0.147 122.962 122.820 -0.009 0.000 2.070 179 A HA -0.171 4.150 4.320 0.000 0.000 0.220 179 A C 2.069 179.679 177.584 0.044 0.000 1.159 179 A CA 1.285 53.331 52.037 0.014 0.000 0.656 179 A CB -0.660 18.352 19.000 0.022 0.000 0.800 179 A HN 0.499 nan 8.150 nan 0.000 0.453 180 I N -0.189 120.387 120.570 0.009 0.000 3.226 180 I HA -0.034 4.136 4.170 0.000 0.000 0.277 180 I C 0.939 176.968 176.117 -0.147 0.000 1.243 180 I CA 0.866 62.137 61.300 -0.049 0.000 1.459 180 I CB -0.061 37.892 38.000 -0.078 0.000 1.093 180 I HN 0.222 nan 8.210 nan 0.000 0.453 181 D N -1.019 119.293 120.400 -0.147 0.000 2.277 181 D HA -0.010 4.630 4.640 0.000 0.000 0.209 181 D C 2.060 178.310 176.300 -0.084 0.000 0.970 181 D CA 0.936 54.842 54.000 -0.158 0.000 0.874 181 D CB -0.199 40.513 40.800 -0.147 0.000 0.982 181 D HN 0.167 nan 8.370 nan 0.000 0.504 182 T N 1.224 115.744 114.554 -0.055 0.000 2.867 182 T HA 0.001 4.351 4.350 0.000 0.000 0.268 182 T C 2.161 176.847 174.700 -0.025 0.000 1.057 182 T CA 0.582 62.659 62.100 -0.039 0.000 1.136 182 T CB 0.047 68.899 68.868 -0.026 0.000 0.874 182 T HN 0.142 nan 8.240 nan 0.000 0.466 183 I N -0.111 120.456 120.570 -0.006 0.000 2.400 183 I HA 0.006 4.176 4.170 0.000 0.000 0.248 183 I C 2.166 178.322 176.117 0.065 0.000 1.109 183 I CA 0.530 61.847 61.300 0.029 0.000 1.425 183 I CB -0.194 37.822 38.000 0.026 0.000 1.094 183 I HN 0.125 nan 8.210 nan 0.000 0.425 184 I N 1.589 122.169 120.570 0.015 0.000 2.335 184 I HA -0.326 3.844 4.170 0.000 0.000 0.251 184 I C 2.175 178.326 176.117 0.057 0.000 1.129 184 I CA 1.466 62.801 61.300 0.058 0.000 1.402 184 I CB -0.563 37.423 38.000 -0.024 0.000 1.069 184 I HN 0.218 nan 8.210 nan 0.000 0.424 185 N N 0.402 119.080 118.700 -0.038 0.000 2.272 185 N HA -0.196 4.544 4.740 0.000 0.000 0.185 185 N C 1.557 176.883 175.510 -0.306 0.000 1.014 185 N CA 1.012 53.979 53.050 -0.137 0.000 0.870 185 N CB -0.119 38.277 38.487 -0.151 0.000 0.975 185 N HN 0.374 nan 8.380 nan 0.000 0.433 186 Q N 0.402 120.050 119.800 -0.253 0.000 2.541 186 Q HA -0.103 4.237 4.340 0.000 0.000 0.215 186 Q C 1.524 177.112 176.000 -0.687 0.000 0.977 186 Q CA 0.459 55.967 55.803 -0.491 0.000 0.934 186 Q CB -0.203 28.417 28.738 -0.197 0.000 0.988 186 Q HN 0.367 nan 8.270 nan 0.000 0.521 187 K N 2.470 122.604 120.400 -0.444 0.000 1.998 187 K HA -0.264 4.056 4.320 0.000 0.000 0.228 187 K C 1.918 178.347 176.600 -0.286 0.000 1.053 187 K CA 2.385 58.453 56.287 -0.366 0.000 0.988 187 K CB -0.290 32.174 32.500 -0.061 0.000 0.735 187 K HN 0.322 nan 8.250 nan 0.000 0.448 188 R N -0.710 119.740 120.500 -0.083 0.000 2.133 188 R HA -0.168 4.172 4.340 0.000 0.000 0.247 188 R C 2.254 178.688 176.300 0.223 0.000 1.151 188 R CA 1.783 57.948 56.100 0.108 0.000 0.971 188 R CB -0.897 29.546 30.300 0.239 0.000 0.866 188 R HN 0.227 nan 8.270 nan 0.000 0.447 189 F N 1.495 121.320 119.950 -0.208 0.000 2.293 189 F HA 0.060 4.587 4.527 0.000 0.000 0.297 189 F C 1.475 177.122 175.800 -0.255 0.000 1.089 189 F CA -0.239 57.644 58.000 -0.194 0.000 1.377 189 F CB -0.859 38.042 39.000 -0.166 0.000 1.051 189 F HN -0.009 nan 8.300 nan 0.000 0.511 190 N N 1.209 119.779 118.700 -0.217 0.000 2.482 190 N HA -0.026 4.714 4.740 0.000 0.000 0.220 190 N C -0.443 174.942 175.510 -0.208 0.000 1.255 190 N CA 0.955 53.798 53.050 -0.345 0.000 0.850 190 N CB -0.328 37.746 38.487 -0.688 0.000 1.127 190 N HN 0.494 nan 8.380 nan 0.000 0.475 191 D N -4.218 116.110 120.400 -0.119 0.000 3.042 191 D HA 0.005 4.646 4.640 0.000 0.000 0.512 191 D C 0.855 177.122 176.300 -0.056 0.000 0.886 191 D CA -0.350 53.604 54.000 -0.077 0.000 1.043 191 D CB -0.848 39.912 40.800 -0.067 0.000 1.677 191 D HN 0.065 nan 8.370 nan 0.000 0.301 192 G N 0.420 109.187 108.800 -0.056 0.000 2.489 192 G HA2 0.375 4.335 3.960 0.000 0.000 0.271 192 G HA3 0.375 4.335 3.960 0.000 0.000 0.271 192 G C 1.150 176.004 174.900 -0.077 0.000 1.427 192 G CA 0.586 45.644 45.100 -0.069 0.000 1.057 192 G HN 0.174 nan 8.290 nan 0.000 0.532 193 T N -1.587 112.907 114.554 -0.099 0.000 2.824 193 T HA 0.002 4.352 4.350 0.000 0.000 0.238 193 T C 0.950 175.599 174.700 -0.085 0.000 1.067 193 T CA 0.913 62.963 62.100 -0.083 0.000 1.286 193 T CB -0.641 68.178 68.868 -0.081 0.000 0.980 193 T HN 0.287 nan 8.240 nan 0.000 0.414 194 D N 2.176 122.509 120.400 -0.113 0.000 2.503 194 D HA 0.035 4.675 4.640 0.000 0.000 0.280 194 D C 1.031 177.286 176.300 -0.074 0.000 1.405 194 D CA 0.159 54.102 54.000 -0.095 0.000 1.049 194 D CB 0.431 41.158 40.800 -0.121 0.000 1.127 194 D HN 0.389 nan 8.370 nan 0.000 0.551 195 E N 2.890 123.064 120.200 -0.043 0.000 2.160 195 E HA -0.213 4.137 4.350 0.000 0.000 0.195 195 E C 1.644 178.224 176.600 -0.032 0.000 0.991 195 E CA 1.129 57.514 56.400 -0.025 0.000 0.810 195 E CB 0.114 29.807 29.700 -0.012 0.000 0.742 195 E HN 0.474 nan 8.360 nan 0.000 0.466 196 K N 0.266 120.654 120.400 -0.021 0.000 2.296 196 K HA -0.064 4.256 4.320 0.000 0.000 0.200 196 K C 1.011 177.646 176.600 0.058 0.000 1.048 196 K CA 0.694 56.986 56.287 0.008 0.000 0.966 196 K CB 0.059 32.599 32.500 0.067 0.000 0.754 196 K HN -0.136 nan 8.250 nan 0.000 0.466 197 K N 1.507 121.921 120.400 0.023 0.000 3.165 197 K HA 0.071 4.392 4.320 0.000 0.000 0.259 197 K C -0.653 176.055 176.600 0.180 0.000 1.282 197 K CA -0.092 56.226 56.287 0.051 0.000 1.259 197 K CB 0.235 32.637 32.500 -0.164 0.000 1.546 197 K HN -0.002 nan 8.250 nan 0.000 0.384 198 K N 0.166 120.669 120.400 0.172 0.000 2.158 198 K HA 0.566 4.886 4.320 0.000 0.000 0.243 198 K C -1.478 175.205 176.600 0.139 0.000 1.079 198 K CA -1.131 55.250 56.287 0.158 0.000 0.920 198 K CB 1.022 33.549 32.500 0.046 0.000 1.400 198 K HN -0.011 nan 8.250 nan 0.000 0.561 199 L N 1.136 122.383 121.223 0.041 0.000 3.349 199 L HA 0.265 4.605 4.340 0.000 0.000 0.265 199 L C -2.102 174.795 176.870 0.045 0.000 0.964 199 L CA -0.319 54.601 54.840 0.132 0.000 1.103 199 L CB 0.765 42.879 42.059 0.091 0.000 1.838 199 L HN 0.463 nan 8.230 nan 0.000 0.527 200 Y N 2.742 123.005 120.300 -0.061 0.000 2.361 200 Y HA 0.709 5.260 4.550 0.000 0.000 0.332 200 Y C 0.359 176.294 175.900 0.058 0.000 1.101 200 Y CA -0.873 57.178 58.100 -0.082 0.000 1.137 200 Y CB 1.683 39.806 38.460 -0.562 0.000 1.207 200 Y HN 0.577 nan 8.280 nan 0.000 0.463 201 C N 4.259 123.676 119.300 0.194 0.000 2.493 201 C HA 0.642 5.102 4.460 0.000 0.000 0.326 201 C C -0.481 174.596 174.990 0.145 0.000 1.200 201 C CA -0.874 58.230 59.018 0.144 0.000 1.739 201 C CB 0.890 28.671 27.740 0.069 0.000 2.300 201 C HN 0.513 nan 8.230 nan 0.000 0.500 202 I N 2.801 123.435 120.570 0.107 0.000 2.537 202 I HA 0.161 4.331 4.170 0.000 0.000 0.276 202 I C -0.653 175.474 176.117 0.016 0.000 1.063 202 I CA -0.408 60.935 61.300 0.072 0.000 1.144 202 I CB -0.106 37.914 38.000 0.033 0.000 1.252 202 I HN 0.689 nan 8.210 nan 0.000 0.480 203 Y N 6.320 126.585 120.300 -0.057 0.000 2.436 203 Y HA 0.439 4.989 4.550 0.000 0.000 0.343 203 Y C -0.162 175.708 175.900 -0.050 0.000 1.008 203 Y CA -0.209 57.851 58.100 -0.067 0.000 1.241 203 Y CB 0.882 39.306 38.460 -0.061 0.000 1.153 203 Y HN 0.285 nan 8.280 nan 0.000 0.521 204 V N 5.257 125.048 119.914 -0.206 0.000 2.630 204 V HA 0.835 4.956 4.120 0.000 0.000 0.305 204 V C -0.248 175.777 176.094 -0.115 0.000 1.046 204 V CA -0.804 61.454 62.300 -0.071 0.000 0.934 204 V CB 1.301 33.091 31.823 -0.055 0.000 1.003 204 V HN 0.892 nan 8.190 nan 0.000 0.451 205 A N 5.072 127.925 122.820 0.055 0.000 2.335 205 A HA 0.893 5.213 4.320 0.000 0.000 0.304 205 A C -0.892 176.727 177.584 0.059 0.000 1.118 205 A CA -0.450 51.641 52.037 0.090 0.000 0.757 205 A CB 0.760 19.885 19.000 0.208 0.000 1.188 205 A HN 0.781 nan 8.150 nan 0.000 0.460 206 I N 2.891 123.485 120.570 0.040 0.000 2.420 206 I HA 0.620 4.790 4.170 0.000 0.000 0.282 206 I C 1.019 177.173 176.117 0.063 0.000 1.019 206 I CA 0.320 61.650 61.300 0.049 0.000 1.130 206 I CB 1.288 39.305 38.000 0.028 0.000 1.262 206 I HN 1.051 nan 8.210 nan 0.000 0.454 207 G N 4.096 112.940 108.800 0.074 0.000 3.642 207 G HA2 -0.209 3.751 3.960 0.000 0.000 0.205 207 G HA3 -0.209 3.751 3.960 0.000 0.000 0.205 207 G C 0.205 175.146 174.900 0.068 0.000 1.526 207 G CA -0.587 44.558 45.100 0.074 0.000 1.097 207 G HN 0.551 nan 8.290 nan 0.000 0.596 208 Q N 1.612 121.453 119.800 0.068 0.000 2.957 208 Q HA 0.049 4.389 4.340 0.000 0.000 0.402 208 Q C -0.042 175.993 176.000 0.059 0.000 1.247 208 Q CA 1.258 57.102 55.803 0.067 0.000 1.099 208 Q CB 0.159 28.947 28.738 0.083 0.000 1.215 208 Q HN 0.637 nan 8.270 nan 0.000 0.516 209 K N 2.462 122.893 120.400 0.052 0.000 2.412 209 K HA -0.016 4.304 4.320 0.000 0.000 0.281 209 K C 1.072 177.696 176.600 0.040 0.000 1.027 209 K CA -0.129 56.184 56.287 0.043 0.000 0.989 209 K CB 0.379 32.901 32.500 0.037 0.000 0.935 209 K HN 0.514 nan 8.250 nan 0.000 0.475 210 R N 0.924 121.445 120.500 0.036 0.000 2.417 210 R HA -0.132 4.208 4.340 0.000 0.000 0.220 210 R C 0.561 176.873 176.300 0.020 0.000 1.128 210 R CA 1.204 57.322 56.100 0.030 0.000 1.048 210 R CB -0.259 30.058 30.300 0.028 0.000 0.835 210 R HN 0.340 nan 8.270 nan 0.000 0.483 211 S N 0.319 116.031 115.700 0.021 0.000 2.483 211 S HA 0.002 4.472 4.470 0.000 0.000 0.221 211 S C 1.500 176.107 174.600 0.013 0.000 1.030 211 S CA 0.777 58.985 58.200 0.013 0.000 0.925 211 S CB 0.446 63.654 63.200 0.014 0.000 0.795 211 S HN 0.517 nan 8.310 nan 0.000 0.511 212 T N 1.634 116.202 114.554 0.023 0.000 2.821 212 T HA -0.028 4.322 4.350 0.000 0.000 0.267 212 T C 1.854 176.562 174.700 0.013 0.000 1.046 212 T CA 1.063 63.180 62.100 0.027 0.000 1.139 212 T CB -0.510 68.386 68.868 0.045 0.000 0.871 212 T HN 0.215 nan 8.240 nan 0.000 0.454 213 V N 1.789 121.713 119.914 0.016 0.000 2.515 213 V HA -0.022 4.098 4.120 0.000 0.000 0.250 213 V C 2.889 178.958 176.094 -0.042 0.000 1.058 213 V CA 1.407 63.702 62.300 -0.008 0.000 1.064 213 V CB -1.178 30.659 31.823 0.023 0.000 0.675 213 V HN 0.589 nan 8.190 nan 0.000 0.461 214 A N -1.277 121.529 122.820 -0.023 0.000 2.169 214 A HA -0.040 4.280 4.320 0.000 0.000 0.212 214 A C 2.148 179.711 177.584 -0.035 0.000 1.153 214 A CA 0.491 52.510 52.037 -0.030 0.000 0.756 214 A CB -0.178 18.813 19.000 -0.016 0.000 0.813 214 A HN 0.488 nan 8.150 nan 0.000 0.471 215 Q N -0.282 119.501 119.800 -0.029 0.000 2.137 215 Q HA 0.028 4.368 4.340 0.000 0.000 0.198 215 Q C 1.976 177.952 176.000 -0.039 0.000 0.960 215 Q CA 0.953 56.742 55.803 -0.023 0.000 0.847 215 Q CB -0.166 28.572 28.738 -0.001 0.000 0.915 215 Q HN 0.708 nan 8.270 nan 0.000 0.448 216 L N -0.434 120.743 121.223 -0.076 0.000 2.049 216 L HA -0.095 4.245 4.340 0.000 0.000 0.203 216 L C 2.461 179.239 176.870 -0.154 0.000 1.074 216 L CA 0.533 55.289 54.840 -0.139 0.000 0.749 216 L CB -0.653 41.226 42.059 -0.299 0.000 0.907 216 L HN -0.026 nan 8.230 nan 0.000 0.439 217 V N 0.729 120.552 119.914 -0.152 0.000 2.252 217 V HA -0.346 3.774 4.120 0.000 0.000 0.249 217 V C 2.719 178.758 176.094 -0.091 0.000 1.056 217 V CA 2.166 64.389 62.300 -0.127 0.000 1.022 217 V CB -0.686 31.083 31.823 -0.091 0.000 0.641 217 V HN 0.490 nan 8.190 nan 0.000 0.445 218 K N 0.512 120.870 120.400 -0.070 0.000 2.002 218 K HA -0.211 4.109 4.320 0.000 0.000 0.209 218 K C 2.297 178.861 176.600 -0.060 0.000 1.048 218 K CA 1.869 58.121 56.287 -0.057 0.000 0.930 218 K CB -0.390 32.081 32.500 -0.048 0.000 0.714 218 K HN 0.318 nan 8.250 nan 0.000 0.438 219 R N 0.501 120.968 120.500 -0.055 0.000 2.097 219 R HA -0.094 4.246 4.340 0.000 0.000 0.236 219 R C 2.640 178.936 176.300 -0.008 0.000 1.135 219 R CA 2.049 58.120 56.100 -0.048 0.000 0.934 219 R CB -0.448 29.859 30.300 0.012 0.000 0.846 219 R HN 0.234 nan 8.270 nan 0.000 0.431 220 L N -0.424 120.794 121.223 -0.007 0.000 2.013 220 L HA -0.255 4.085 4.340 0.000 0.000 0.212 220 L C 2.422 179.266 176.870 -0.043 0.000 1.073 220 L CA 1.809 56.634 54.840 -0.025 0.000 0.753 220 L CB -0.782 41.202 42.059 -0.126 0.000 0.890 220 L HN 0.348 nan 8.230 nan 0.000 0.432 221 T N -0.736 113.781 114.554 -0.062 0.000 2.778 221 T HA -0.200 4.150 4.350 0.000 0.000 0.269 221 T C 1.421 176.102 174.700 -0.032 0.000 1.050 221 T CA 1.492 63.561 62.100 -0.051 0.000 1.137 221 T CB -0.279 68.559 68.868 -0.051 0.000 0.860 221 T HN 0.392 nan 8.240 nan 0.000 0.468 222 D N 1.274 121.652 120.400 -0.038 0.000 2.144 222 D HA -0.037 4.603 4.640 0.000 0.000 0.199 222 D C 1.916 178.208 176.300 -0.012 0.000 0.984 222 D CA 1.139 55.114 54.000 -0.042 0.000 0.834 222 D CB -0.123 40.622 40.800 -0.091 0.000 0.955 222 D HN 0.457 nan 8.370 nan 0.000 0.465 223 A N 0.273 123.107 122.820 0.023 0.000 2.307 223 A HA 0.053 4.373 4.320 0.000 0.000 0.218 223 A C 0.662 178.291 177.584 0.075 0.000 1.228 223 A CA 0.424 52.501 52.037 0.066 0.000 0.857 223 A CB 0.171 19.253 19.000 0.136 0.000 0.897 223 A HN 0.021 nan 8.150 nan 0.000 0.495 224 D N -2.778 117.647 120.400 0.042 0.000 2.946 224 D HA -0.270 4.370 4.640 0.000 0.000 0.202 224 D C 1.223 177.560 176.300 0.061 0.000 1.068 224 D CA 1.522 55.551 54.000 0.049 0.000 1.011 224 D CB -1.391 39.451 40.800 0.070 0.000 1.105 224 D HN 0.581 nan 8.370 nan 0.000 0.425 225 A N 0.049 122.881 122.820 0.021 0.000 1.903 225 A HA -0.250 4.070 4.320 0.000 0.000 0.219 225 A C 2.232 179.454 177.584 -0.603 0.000 1.191 225 A CA 2.220 54.095 52.037 -0.270 0.000 0.638 225 A CB -0.509 18.359 19.000 -0.221 0.000 0.823 225 A HN 0.411 nan 8.150 nan 0.000 0.451 226 M N -0.223 119.200 119.600 -0.296 0.000 2.337 226 M HA -0.193 4.287 4.480 0.000 0.000 0.261 226 M C 2.028 178.210 176.300 -0.198 0.000 1.067 226 M CA 2.020 57.172 55.300 -0.246 0.000 1.074 226 M CB -0.826 31.691 32.600 -0.139 0.000 1.395 226 M HN 0.666 nan 8.290 nan 0.000 0.431 227 K N 0.377 120.705 120.400 -0.119 0.000 2.211 227 K HA -0.190 4.130 4.320 0.000 0.000 0.204 227 K C 0.574 177.189 176.600 0.026 0.000 1.047 227 K CA 1.397 57.678 56.287 -0.008 0.000 0.935 227 K CB -0.107 32.434 32.500 0.069 0.000 0.728 227 K HN 0.506 nan 8.250 nan 0.000 0.452 228 Y N -0.878 119.361 120.300 -0.101 0.000 2.699 228 Y HA 0.488 5.038 4.550 0.000 0.000 0.282 228 Y C -0.890 174.934 175.900 -0.125 0.000 1.058 228 Y CA -0.987 57.011 58.100 -0.170 0.000 1.194 228 Y CB 0.238 38.546 38.460 -0.253 0.000 1.193 228 Y HN -0.262 nan 8.280 nan 0.000 0.562 229 T N 1.517 115.934 114.554 -0.229 0.000 2.868 229 T HA 0.598 4.949 4.350 0.000 0.000 0.306 229 T C -1.006 173.666 174.700 -0.047 0.000 1.224 229 T CA -0.605 61.398 62.100 -0.162 0.000 1.012 229 T CB 2.112 70.793 68.868 -0.312 0.000 1.221 229 T HN 0.218 nan 8.240 nan 0.000 0.499 230 I N 1.976 122.562 120.570 0.027 0.000 2.465 230 I HA 0.645 4.816 4.170 0.000 0.000 0.291 230 I C -0.772 175.377 176.117 0.053 0.000 1.014 230 I CA -1.142 60.185 61.300 0.046 0.000 1.093 230 I CB 1.985 40.041 38.000 0.093 0.000 1.267 230 I HN 0.311 nan 8.210 nan 0.000 0.431 231 V N 5.306 125.243 119.914 0.039 0.000 2.735 231 V HA 0.765 4.885 4.120 0.000 0.000 0.310 231 V C -0.318 175.817 176.094 0.068 0.000 1.061 231 V CA -0.850 61.498 62.300 0.080 0.000 0.913 231 V CB 1.789 33.613 31.823 0.002 0.000 1.005 231 V HN 0.547 nan 8.190 nan 0.000 0.428 232 V N -0.050 119.925 119.914 0.100 0.000 2.925 232 V HA 0.915 5.035 4.120 0.000 0.000 0.311 232 V C -0.455 175.686 176.094 0.079 0.000 1.104 232 V CA -0.355 61.983 62.300 0.063 0.000 0.954 232 V CB 1.911 33.757 31.823 0.038 0.000 1.022 232 V HN 0.848 nan 8.190 nan 0.000 0.427 233 S N 2.090 117.824 115.700 0.056 0.000 2.521 233 S HA 0.877 5.347 4.470 0.000 0.000 0.295 233 S C -0.092 174.540 174.600 0.053 0.000 1.098 233 S CA 0.009 58.247 58.200 0.063 0.000 0.999 233 S CB 1.710 64.947 63.200 0.061 0.000 1.034 233 S HN 1.694 nan 8.310 nan 0.000 0.483 234 A N 2.787 125.645 122.820 0.063 0.000 2.978 234 A HA 0.533 4.853 4.320 0.000 0.000 0.341 234 A C 0.109 177.737 177.584 0.074 0.000 1.105 234 A CA -0.705 51.375 52.037 0.070 0.000 0.819 234 A CB -0.273 18.773 19.000 0.076 0.000 1.080 234 A HN 0.673 nan 8.150 nan 0.000 0.476 235 T N -0.859 113.736 114.554 0.067 0.000 2.744 235 T HA 0.545 4.895 4.350 0.000 0.000 0.291 235 T C 1.410 176.148 174.700 0.063 0.000 0.957 235 T CA 0.142 62.280 62.100 0.064 0.000 1.002 235 T CB 1.461 70.362 68.868 0.055 0.000 0.919 235 T HN 1.627 nan 8.240 nan 0.000 0.468 236 A N 4.365 127.223 122.820 0.063 0.000 1.702 236 A HA -0.340 3.980 4.320 0.000 0.000 0.310 236 A C 2.498 180.117 177.584 0.058 0.000 3.541 236 A CA 3.204 55.277 52.037 0.060 0.000 0.865 236 A CB -2.245 16.786 19.000 0.051 0.000 0.780 236 A HN 1.100 nan 8.150 nan 0.000 0.575 237 S N 0.377 116.108 115.700 0.052 0.000 2.368 237 S HA -0.143 4.327 4.470 0.000 0.000 0.226 237 S C 0.604 175.241 174.600 0.062 0.000 1.044 237 S CA 1.029 59.259 58.200 0.050 0.000 1.062 237 S CB -0.781 62.446 63.200 0.045 0.000 0.931 237 S HN 0.745 nan 8.310 nan 0.000 0.440 238 D N 2.855 123.298 120.400 0.072 0.000 2.662 238 D HA 0.245 4.886 4.640 0.000 0.000 0.233 238 D C 0.263 176.628 176.300 0.108 0.000 1.129 238 D CA 0.474 54.530 54.000 0.094 0.000 0.851 238 D CB 0.264 41.124 40.800 0.099 0.000 1.152 238 D HN 0.412 nan 8.370 nan 0.000 0.507 239 A N 2.666 125.559 122.820 0.121 0.000 2.561 239 A HA 0.252 4.572 4.320 0.000 0.000 0.234 239 A C 1.662 179.333 177.584 0.145 0.000 1.055 239 A CA 0.365 52.471 52.037 0.114 0.000 0.756 239 A CB 0.312 19.381 19.000 0.115 0.000 0.986 239 A HN 0.676 nan 8.150 nan 0.000 0.505 240 A N 3.277 126.164 122.820 0.113 0.000 2.001 240 A HA -0.182 4.138 4.320 0.000 0.000 0.224 240 A C -0.181 177.533 177.584 0.217 0.000 1.203 240 A CA 2.466 54.583 52.037 0.133 0.000 0.667 240 A CB -1.788 17.256 19.000 0.073 0.000 0.823 240 A HN 0.678 nan 8.150 nan 0.000 0.473 241 P HA -0.094 nan 4.420 nan 0.000 0.216 241 P C 1.468 179.108 177.300 0.566 0.000 1.153 241 P CA 0.809 64.162 63.100 0.420 0.000 0.848 241 P CB -0.126 31.748 31.700 0.289 0.000 0.787 242 L N -0.837 120.640 121.223 0.422 0.000 2.017 242 L HA -0.203 4.138 4.340 0.000 0.000 0.208 242 L C 2.520 179.526 176.870 0.228 0.000 1.073 242 L CA 1.588 56.599 54.840 0.285 0.000 0.745 242 L CB -1.010 41.165 42.059 0.193 0.000 0.894 242 L HN -0.034 nan 8.230 nan 0.000 0.432 243 Q N -1.509 118.429 119.800 0.230 0.000 2.508 243 Q HA -0.218 4.122 4.340 0.000 0.000 0.214 243 Q C 1.634 177.789 176.000 0.257 0.000 0.979 243 Q CA 1.137 57.056 55.803 0.194 0.000 0.911 243 Q CB 0.125 28.967 28.738 0.174 0.000 0.969 243 Q HN 0.609 nan 8.270 nan 0.000 0.504 244 Y N -1.422 118.989 120.300 0.186 0.000 2.464 244 Y HA 0.029 4.579 4.550 0.000 0.000 0.288 244 Y C 1.476 177.536 175.900 0.267 0.000 1.133 244 Y CA 0.137 58.376 58.100 0.233 0.000 1.223 244 Y CB -0.099 38.557 38.460 0.326 0.000 1.187 244 Y HN 0.061 nan 8.280 nan 0.000 0.539 245 L N 1.318 122.567 121.223 0.042 0.000 2.313 245 L HA 0.219 4.559 4.340 0.000 0.000 0.214 245 L C 2.336 179.202 176.870 -0.006 0.000 1.119 245 L CA 1.665 56.475 54.840 -0.049 0.000 0.809 245 L CB -1.178 40.936 42.059 0.090 0.000 0.933 245 L HN 0.357 nan 8.230 nan 0.000 0.449 246 A N 0.553 123.371 122.820 -0.002 0.000 1.873 246 A HA -0.157 4.164 4.320 0.000 0.000 0.218 246 A C 0.035 177.579 177.584 -0.067 0.000 1.193 246 A CA 2.116 54.141 52.037 -0.020 0.000 0.629 246 A CB -1.997 17.010 19.000 0.011 0.000 0.826 246 A HN 0.407 nan 8.150 nan 0.000 0.447 247 P HA -0.150 nan 4.420 nan 0.000 0.215 247 P C 0.709 177.875 177.300 -0.223 0.000 1.157 247 P CA 1.180 64.121 63.100 -0.265 0.000 0.868 247 P CB -0.256 31.010 31.700 -0.724 0.000 0.788 248 Y N -0.882 119.338 120.300 -0.132 0.000 2.651 248 Y HA -0.042 4.509 4.550 0.000 0.000 0.296 248 Y C 2.329 178.183 175.900 -0.078 0.000 1.150 248 Y CA 0.825 58.846 58.100 -0.132 0.000 1.348 248 Y CB -1.149 37.178 38.460 -0.223 0.000 0.983 248 Y HN -0.034 nan 8.280 nan 0.000 0.555 249 S N -0.792 114.932 115.700 0.041 0.000 2.412 249 S HA 0.010 4.481 4.470 0.000 0.000 0.223 249 S C 2.383 176.987 174.600 0.006 0.000 1.048 249 S CA 0.762 58.970 58.200 0.013 0.000 0.954 249 S CB -0.549 62.645 63.200 -0.010 0.000 0.840 249 S HN 0.568 nan 8.310 nan 0.000 0.503 250 G N 0.041 108.851 108.800 0.017 0.000 2.443 250 G HA2 -0.201 3.760 3.960 0.000 0.000 0.219 250 G HA3 -0.201 3.760 3.960 0.000 0.000 0.219 250 G C 1.593 176.483 174.900 -0.016 0.000 1.131 250 G CA 0.855 45.951 45.100 -0.007 0.000 0.775 250 G HN 0.533 nan 8.290 nan 0.000 0.547 251 C N 0.461 119.798 119.300 0.062 0.000 2.429 251 C HA 0.020 4.480 4.460 0.000 0.000 0.277 251 C C 3.210 178.191 174.990 -0.015 0.000 1.262 251 C CA 1.528 60.585 59.018 0.065 0.000 1.733 251 C CB -0.729 27.090 27.740 0.132 0.000 2.010 251 C HN 0.367 nan 8.230 nan 0.000 0.483 252 S N -0.018 115.672 115.700 -0.017 0.000 2.561 252 S HA -0.004 4.467 4.470 0.000 0.000 0.225 252 S C 1.698 176.237 174.600 -0.102 0.000 0.977 252 S CA 0.728 58.898 58.200 -0.049 0.000 0.926 252 S CB -0.133 63.051 63.200 -0.027 0.000 0.769 252 S HN 0.522 nan 8.310 nan 0.000 0.533 253 M N 0.686 120.212 119.600 -0.123 0.000 2.115 253 M HA 0.079 4.559 4.480 0.000 0.000 0.261 253 M C 2.539 178.561 176.300 -0.463 0.000 1.079 253 M CA 1.449 56.628 55.300 -0.202 0.000 1.143 253 M CB -1.865 30.673 32.600 -0.103 0.000 1.332 253 M HN 0.393 nan 8.290 nan 0.000 0.421 254 G N 0.063 108.662 108.800 -0.335 0.000 2.422 254 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 254 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 254 G C 1.394 176.058 174.900 -0.394 0.000 1.140 254 G CA 0.467 45.333 45.100 -0.391 0.000 0.775 254 G HN 0.533 nan 8.290 nan 0.000 0.545 255 E N -0.692 119.367 120.200 -0.235 0.000 2.331 255 E HA -0.183 4.167 4.350 0.000 0.000 0.199 255 E C 1.794 178.285 176.600 -0.182 0.000 1.008 255 E CA 0.537 56.842 56.400 -0.159 0.000 0.843 255 E CB -0.183 29.454 29.700 -0.105 0.000 0.761 255 E HN 0.665 nan 8.360 nan 0.000 0.507 256 Y N 0.600 120.628 120.300 -0.454 0.000 2.089 256 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 256 Y C 1.745 177.512 175.900 -0.220 0.000 1.139 256 Y CA 1.760 59.641 58.100 -0.364 0.000 1.123 256 Y CB -0.299 37.851 38.460 -0.516 0.000 0.980 256 Y HN -0.050 nan 8.280 nan 0.000 0.493 257 F N 0.248 120.308 119.950 0.183 0.000 2.134 257 F HA -0.083 4.444 4.527 0.000 0.000 0.299 257 F C 2.504 178.309 175.800 0.009 0.000 1.097 257 F CA 1.444 59.470 58.000 0.043 0.000 1.264 257 F CB -1.364 37.617 39.000 -0.031 0.000 1.001 257 F HN -0.004 nan 8.300 nan 0.000 0.479 258 R N 0.523 121.081 120.500 0.096 0.000 2.346 258 R HA -0.082 4.258 4.340 0.000 0.000 0.199 258 R C -0.102 176.179 176.300 -0.032 0.000 1.015 258 R CA 0.765 56.887 56.100 0.036 0.000 1.058 258 R CB -0.382 29.909 30.300 -0.015 0.000 0.921 258 R HN 0.213 nan 8.270 nan 0.000 0.475 259 D N -1.447 118.920 120.400 -0.056 0.000 2.539 259 D HA 0.112 4.752 4.640 0.000 0.000 0.232 259 D C -0.549 175.695 176.300 -0.094 0.000 1.256 259 D CA 0.016 53.965 54.000 -0.084 0.000 0.810 259 D CB 0.528 41.252 40.800 -0.127 0.000 1.090 259 D HN 0.162 nan 8.370 nan 0.000 0.519 260 N N -0.432 118.226 118.700 -0.070 0.000 2.536 260 N HA 0.326 5.066 4.740 0.000 0.000 0.286 260 N C 0.963 176.484 175.510 0.018 0.000 1.577 260 N CA 0.205 53.206 53.050 -0.080 0.000 0.883 260 N CB 1.842 40.181 38.487 -0.246 0.000 1.390 260 N HN 0.051 nan 8.380 nan 0.000 0.491 261 G N 1.217 110.061 108.800 0.072 0.000 3.548 261 G HA2 -0.406 3.554 3.960 0.000 0.000 0.224 261 G HA3 -0.406 3.554 3.960 0.000 0.000 0.224 261 G C 0.328 175.333 174.900 0.175 0.000 1.351 261 G CA 0.398 45.568 45.100 0.117 0.000 0.905 261 G HN 0.349 nan 8.290 nan 0.000 0.561 262 K N 1.331 121.758 120.400 0.044 0.000 2.339 262 K HA 0.380 4.700 4.320 0.000 0.000 0.260 262 K C 0.330 177.054 176.600 0.207 0.000 0.989 262 K CA 0.816 57.021 56.287 -0.137 0.000 0.888 262 K CB 0.058 32.360 32.500 -0.330 0.000 0.983 262 K HN 0.668 nan 8.250 nan 0.000 0.515 263 H N -1.538 117.539 119.070 0.011 0.000 2.908 263 H HA 0.758 5.314 4.556 0.000 0.000 0.350 263 H C -0.898 174.544 175.328 0.191 0.000 1.217 263 H CA -1.253 54.870 56.048 0.125 0.000 1.168 263 H CB 1.774 31.605 29.762 0.115 0.000 1.891 263 H HN 0.686 nan 8.280 nan 0.000 0.566 264 A N 0.667 123.717 122.820 0.384 0.000 2.606 264 A HA 0.547 4.867 4.320 0.000 0.000 0.293 264 A C -1.854 175.850 177.584 0.200 0.000 1.082 264 A CA -0.552 51.702 52.037 0.362 0.000 0.685 264 A CB 1.881 21.237 19.000 0.593 0.000 1.284 264 A HN 0.383 nan 8.150 nan 0.000 0.408 265 L N 1.785 123.099 121.223 0.153 0.000 2.342 265 L HA 0.721 5.061 4.340 0.000 0.000 0.276 265 L C -1.027 175.839 176.870 -0.006 0.000 0.997 265 L CA -0.420 54.452 54.840 0.053 0.000 0.838 265 L CB 0.912 43.002 42.059 0.052 0.000 1.224 265 L HN 0.680 nan 8.230 nan 0.000 0.416 266 I N 5.434 125.931 120.570 -0.123 0.000 2.404 266 I HA 0.499 4.669 4.170 0.000 0.000 0.293 266 I C -1.043 174.833 176.117 -0.401 0.000 0.992 266 I CA -0.638 60.492 61.300 -0.282 0.000 1.149 266 I CB 1.230 38.961 38.000 -0.449 0.000 1.315 266 I HN 0.445 nan 8.210 nan 0.000 0.446 267 I N 8.298 128.626 120.570 -0.403 0.000 2.355 267 I HA 0.179 4.350 4.170 0.000 0.000 0.288 267 I C -1.131 174.705 176.117 -0.469 0.000 0.999 267 I CA -0.481 60.571 61.300 -0.415 0.000 1.163 267 I CB 0.973 38.704 38.000 -0.448 0.000 1.316 267 I HN 0.478 nan 8.210 nan 0.000 0.454 268 Y N 3.671 123.807 120.300 -0.273 0.000 2.595 268 Y HA 0.183 4.733 4.550 0.000 0.000 0.347 268 Y C 0.776 176.512 175.900 -0.274 0.000 1.025 268 Y CA -0.626 57.310 58.100 -0.272 0.000 1.295 268 Y CB 0.024 38.323 38.460 -0.268 0.000 1.147 268 Y HN 0.411 nan 8.280 nan 0.000 0.515 269 D N 5.149 125.444 120.400 -0.176 0.000 2.383 269 D HA 0.024 4.664 4.640 0.000 0.000 0.245 269 D C -0.591 175.674 176.300 -0.058 0.000 1.263 269 D CA 0.610 54.517 54.000 -0.154 0.000 0.936 269 D CB -0.014 40.658 40.800 -0.213 0.000 1.053 269 D HN 0.631 nan 8.370 nan 0.000 0.507 270 D N 2.866 123.237 120.400 -0.049 0.000 3.992 270 D HA -0.161 4.479 4.640 0.000 0.000 0.250 270 D C 1.251 177.525 176.300 -0.043 0.000 1.040 270 D CA 0.144 54.130 54.000 -0.024 0.000 1.125 270 D CB -0.659 40.150 40.800 0.015 0.000 0.900 270 D HN 0.457 nan 8.370 nan 0.000 0.410 271 L N 0.708 121.863 121.223 -0.113 0.000 2.179 271 L HA -0.130 4.211 4.340 0.000 0.000 0.208 271 L C 2.734 179.660 176.870 0.094 0.000 1.096 271 L CA 1.461 56.183 54.840 -0.196 0.000 0.779 271 L CB -0.349 41.264 42.059 -0.744 0.000 0.922 271 L HN 0.358 nan 8.230 nan 0.000 0.443 272 S N -0.170 115.574 115.700 0.074 0.000 2.370 272 S HA -0.221 4.249 4.470 0.000 0.000 0.226 272 S C 1.945 176.623 174.600 0.129 0.000 1.033 272 S CA 0.970 59.240 58.200 0.118 0.000 1.011 272 S CB -0.310 62.942 63.200 0.087 0.000 0.852 272 S HN 0.168 nan 8.310 nan 0.000 0.457 273 K N 1.355 121.814 120.400 0.098 0.000 2.209 273 K HA 0.030 4.351 4.320 0.000 0.000 0.204 273 K C 2.301 178.982 176.600 0.135 0.000 1.048 273 K CA 1.190 57.541 56.287 0.107 0.000 0.940 273 K CB -0.386 32.162 32.500 0.079 0.000 0.729 273 K HN 0.643 nan 8.250 nan 0.000 0.451 274 Q N -0.777 119.106 119.800 0.137 0.000 2.331 274 Q HA 0.019 4.359 4.340 0.000 0.000 0.203 274 Q C 1.747 177.882 176.000 0.224 0.000 0.944 274 Q CA 0.859 56.770 55.803 0.179 0.000 0.892 274 Q CB 0.079 28.907 28.738 0.149 0.000 0.983 274 Q HN 0.299 nan 8.270 nan 0.000 0.482 275 A N 0.120 123.052 122.820 0.186 0.000 1.855 275 A HA -0.128 4.192 4.320 0.000 0.000 0.215 275 A C 2.158 179.996 177.584 0.422 0.000 1.191 275 A CA 1.492 53.611 52.037 0.137 0.000 0.613 275 A CB -0.828 18.154 19.000 -0.029 0.000 0.829 275 A HN 0.263 nan 8.150 nan 0.000 0.442 276 V N -0.154 119.958 119.914 0.331 0.000 2.332 276 V HA -0.237 3.883 4.120 0.000 0.000 0.248 276 V C 2.806 179.031 176.094 0.217 0.000 1.055 276 V CA 1.972 64.433 62.300 0.267 0.000 1.038 276 V CB -1.054 30.871 31.823 0.170 0.000 0.651 276 V HN 0.605 nan 8.190 nan 0.000 0.450 277 A N -2.297 120.653 122.820 0.217 0.000 2.238 277 A HA -0.017 4.303 4.320 0.000 0.000 0.208 277 A C 1.885 179.617 177.584 0.245 0.000 1.177 277 A CA 0.549 52.704 52.037 0.197 0.000 0.804 277 A CB -0.408 18.705 19.000 0.188 0.000 0.823 277 A HN 0.617 nan 8.150 nan 0.000 0.482 278 Y N 1.324 121.709 120.300 0.142 0.000 2.266 278 Y HA -0.050 4.500 4.550 0.000 0.000 0.294 278 Y C 2.422 178.347 175.900 0.043 0.000 1.127 278 Y CA 1.395 59.549 58.100 0.091 0.000 1.140 278 Y CB -0.399 38.139 38.460 0.129 0.000 1.071 278 Y HN 0.406 nan 8.280 nan 0.000 0.525 279 R N 0.730 121.268 120.500 0.064 0.000 2.185 279 R HA -0.302 4.038 4.340 0.000 0.000 0.247 279 R C 2.103 178.296 176.300 -0.179 0.000 1.159 279 R CA 1.972 58.017 56.100 -0.092 0.000 0.988 279 R CB -0.973 29.310 30.300 -0.028 0.000 0.871 279 R HN 0.561 nan 8.270 nan 0.000 0.458 280 Q N 0.898 120.626 119.800 -0.120 0.000 1.921 280 Q HA -0.227 4.113 4.340 0.000 0.000 0.208 280 Q C 2.296 178.193 176.000 -0.172 0.000 0.994 280 Q CA 2.006 57.741 55.803 -0.113 0.000 0.857 280 Q CB -0.184 28.523 28.738 -0.051 0.000 0.925 280 Q HN 0.424 nan 8.270 nan 0.000 0.421 281 M N 0.204 119.670 119.600 -0.223 0.000 2.116 281 M HA -0.239 4.242 4.480 0.000 0.000 0.255 281 M C 2.296 178.429 176.300 -0.278 0.000 1.075 281 M CA 2.192 57.332 55.300 -0.266 0.000 1.087 281 M CB -0.477 31.888 32.600 -0.392 0.000 1.340 281 M HN 0.408 nan 8.290 nan 0.000 0.402 282 S N 0.152 115.635 115.700 -0.362 0.000 2.336 282 S HA -0.029 4.441 4.470 0.000 0.000 0.216 282 S C 1.870 176.363 174.600 -0.178 0.000 1.032 282 S CA 0.723 58.753 58.200 -0.284 0.000 0.973 282 S CB -0.206 62.777 63.200 -0.361 0.000 0.888 282 S HN 0.549 nan 8.310 nan 0.000 0.455 283 L N 1.353 122.475 121.223 -0.167 0.000 2.021 283 L HA -0.202 4.138 4.340 0.000 0.000 0.215 283 L C 2.427 179.240 176.870 -0.096 0.000 1.074 283 L CA 1.535 56.306 54.840 -0.116 0.000 0.760 283 L CB -0.943 41.050 42.059 -0.110 0.000 0.889 283 L HN 0.375 nan 8.230 nan 0.000 0.433 284 L N -0.614 120.547 121.223 -0.102 0.000 2.191 284 L HA -0.201 4.139 4.340 0.000 0.000 0.212 284 L C 2.331 179.155 176.870 -0.076 0.000 1.103 284 L CA 0.877 55.668 54.840 -0.082 0.000 0.769 284 L CB -0.316 41.693 42.059 -0.083 0.000 0.908 284 L HN 0.281 nan 8.230 nan 0.000 0.438 285 L N -0.764 120.405 121.223 -0.090 0.000 2.554 285 L HA 0.046 4.386 4.340 0.000 0.000 0.226 285 L C 0.763 177.599 176.870 -0.057 0.000 1.137 285 L CA 0.125 54.922 54.840 -0.073 0.000 0.863 285 L CB -0.127 41.879 42.059 -0.087 0.000 0.985 285 L HN 0.238 nan 8.230 nan 0.000 0.451 286 R N 0.162 120.626 120.500 -0.061 0.000 3.656 286 R HA -0.142 4.199 4.340 0.000 0.000 0.297 286 R C -0.304 175.971 176.300 -0.042 0.000 1.166 286 R CA 0.364 56.435 56.100 -0.048 0.000 0.799 286 R CB -1.852 28.427 30.300 -0.035 0.000 1.285 286 R HN 0.394 nan 8.270 nan 0.000 0.477 287 R N 1.385 121.854 120.500 -0.052 0.000 2.220 287 R HA 0.193 4.534 4.340 0.000 0.000 0.340 287 R C -2.201 174.077 176.300 -0.036 0.000 1.076 287 R CA -1.797 54.281 56.100 -0.038 0.000 0.920 287 R CB 0.508 30.782 30.300 -0.044 0.000 1.062 287 R HN -0.114 nan 8.270 nan 0.000 0.469 288 P HA -0.129 nan 4.420 nan 0.000 0.255 288 P C -2.053 175.235 177.300 -0.020 0.000 1.132 288 P CA -0.142 62.945 63.100 -0.021 0.000 0.766 288 P CB 0.014 31.708 31.700 -0.009 0.000 0.715 289 P HA 0.131 nan 4.420 nan 0.000 0.272 289 P C 0.307 177.591 177.300 -0.026 0.000 1.240 289 P CA 0.031 63.106 63.100 -0.042 0.000 0.791 289 P CB 1.167 32.825 31.700 -0.070 0.000 0.978 290 G N 1.196 109.982 108.800 -0.023 0.000 3.267 290 G HA2 0.211 4.172 3.960 0.000 0.000 0.200 290 G HA3 0.211 4.172 3.960 0.000 0.000 0.200 290 G C -0.193 174.665 174.900 -0.069 0.000 1.603 290 G CA -0.228 44.866 45.100 -0.009 0.000 0.753 290 G HN 0.391 nan 8.290 nan 0.000 0.755 291 R N 1.157 121.593 120.500 -0.107 0.000 2.438 291 R HA 0.237 4.577 4.340 0.000 0.000 0.287 291 R C -0.121 175.949 176.300 -0.383 0.000 1.077 291 R CA -0.127 55.819 56.100 -0.257 0.000 1.034 291 R CB 0.530 30.592 30.300 -0.398 0.000 0.993 291 R HN 0.545 nan 8.270 nan 0.000 0.459 292 E N 2.739 122.745 120.200 -0.323 0.000 2.068 292 E HA -0.333 4.017 4.350 0.000 0.000 0.192 292 E C 0.660 176.916 176.600 -0.573 0.000 1.358 292 E CA 1.133 57.305 56.400 -0.381 0.000 0.696 292 E CB -1.049 28.441 29.700 -0.351 0.000 1.065 292 E HN 0.772 nan 8.360 nan 0.000 0.327 293 A N -1.553 121.045 122.820 -0.371 0.000 3.261 293 A HA -0.350 3.970 4.320 0.000 0.000 0.240 293 A C 0.302 177.749 177.584 -0.229 0.000 0.644 293 A CA 1.374 53.223 52.037 -0.313 0.000 1.228 293 A CB -1.888 16.902 19.000 -0.350 0.000 1.281 293 A HN 0.432 nan 8.150 nan 0.000 0.685 294 Y N 0.956 121.195 120.300 -0.101 0.000 2.847 294 Y HA 0.229 4.779 4.550 0.000 0.000 0.370 294 Y C -1.402 174.519 175.900 0.036 0.000 1.335 294 Y CA -0.185 57.911 58.100 -0.006 0.000 1.693 294 Y CB -0.620 37.850 38.460 0.017 0.000 1.209 294 Y HN 0.261 nan 8.280 nan 0.000 0.517 295 P HA -0.188 nan 4.420 nan 0.000 0.286 295 P C 1.219 178.626 177.300 0.178 0.000 1.402 295 P CA 1.891 65.062 63.100 0.120 0.000 0.755 295 P CB -0.343 31.367 31.700 0.016 0.000 1.377 296 G N 0.670 109.596 108.800 0.211 0.000 4.754 296 G HA2 -0.326 3.634 3.960 0.000 0.000 0.222 296 G HA3 -0.326 3.634 3.960 0.000 0.000 0.222 296 G C 0.282 175.333 174.900 0.252 0.000 1.377 296 G CA 0.318 45.539 45.100 0.203 0.000 0.942 296 G HN 0.510 nan 8.290 nan 0.000 0.671 297 D N 2.335 122.898 120.400 0.271 0.000 2.688 297 D HA 0.385 5.026 4.640 0.000 0.000 0.228 297 D C 1.457 177.941 176.300 0.305 0.000 1.116 297 D CA 0.360 54.549 54.000 0.314 0.000 1.023 297 D CB 0.292 41.309 40.800 0.361 0.000 1.100 297 D HN 0.439 nan 8.370 nan 0.000 0.487 298 V N -0.087 119.996 119.914 0.282 0.000 3.174 298 V HA -0.034 4.086 4.120 0.000 0.000 0.254 298 V C 1.733 177.854 176.094 0.044 0.000 1.120 298 V CA 0.248 62.637 62.300 0.149 0.000 1.114 298 V CB -0.874 31.119 31.823 0.283 0.000 0.756 298 V HN 0.245 nan 8.190 nan 0.000 0.467 299 F N 0.615 120.567 119.950 0.004 0.000 2.037 299 F HA -0.099 4.428 4.527 0.000 0.000 0.291 299 F C 2.288 178.137 175.800 0.083 0.000 1.137 299 F CA 1.512 59.512 58.000 -0.001 0.000 1.178 299 F CB -0.654 38.352 39.000 0.009 0.000 0.995 299 F HN 0.181 nan 8.300 nan 0.000 0.472 300 Y N 0.604 120.948 120.300 0.073 0.000 2.538 300 Y HA -0.191 4.359 4.550 0.000 0.000 0.287 300 Y C 1.895 177.753 175.900 -0.070 0.000 1.157 300 Y CA 0.993 59.087 58.100 -0.009 0.000 1.338 300 Y CB -0.747 37.755 38.460 0.071 0.000 0.970 300 Y HN 0.232 nan 8.280 nan 0.000 0.564 301 L N -0.965 120.205 121.223 -0.088 0.000 2.102 301 L HA -0.060 4.280 4.340 0.000 0.000 0.202 301 L C 1.824 178.642 176.870 -0.087 0.000 1.076 301 L CA 1.897 56.603 54.840 -0.223 0.000 0.761 301 L CB -0.551 41.217 42.059 -0.486 0.000 0.921 301 L HN 0.225 nan 8.230 nan 0.000 0.444 302 H N -2.158 116.759 119.070 -0.255 0.000 2.586 302 H HA 0.241 4.797 4.556 0.000 0.000 0.273 302 H C 1.497 176.614 175.328 -0.353 0.000 0.997 302 H CA 0.213 56.074 56.048 -0.313 0.000 1.177 302 H CB 0.638 30.226 29.762 -0.290 0.000 1.471 302 H HN 0.303 nan 8.280 nan 0.000 0.538 303 S N 0.253 115.780 115.700 -0.289 0.000 2.431 303 S HA -0.057 4.413 4.470 0.000 0.000 0.210 303 S C 1.965 176.472 174.600 -0.154 0.000 1.013 303 S CA -0.068 57.915 58.200 -0.362 0.000 0.920 303 S CB 0.112 62.954 63.200 -0.596 0.000 0.882 303 S HN 0.348 nan 8.310 nan 0.000 0.567 304 R N 0.805 121.260 120.500 -0.074 0.000 2.198 304 R HA -0.216 4.124 4.340 0.000 0.000 0.258 304 R C 2.020 178.299 176.300 -0.035 0.000 1.173 304 R CA 1.498 57.573 56.100 -0.042 0.000 0.991 304 R CB -0.441 29.697 30.300 -0.271 0.000 0.879 304 R HN 0.331 nan 8.270 nan 0.000 0.460 305 L N 0.137 121.337 121.223 -0.038 0.000 1.984 305 L HA -0.094 4.246 4.340 0.000 0.000 0.207 305 L C 2.037 178.854 176.870 -0.087 0.000 1.111 305 L CA 1.295 56.095 54.840 -0.066 0.000 0.770 305 L CB -0.750 41.136 42.059 -0.289 0.000 0.900 305 L HN 0.122 nan 8.230 nan 0.000 0.441 306 L N 0.118 121.252 121.223 -0.148 0.000 2.113 306 L HA -0.302 4.038 4.340 0.000 0.000 0.221 306 L C 2.486 179.339 176.870 -0.028 0.000 1.084 306 L CA 1.906 56.708 54.840 -0.064 0.000 0.787 306 L CB -1.666 40.332 42.059 -0.102 0.000 0.893 306 L HN 0.506 nan 8.230 nan 0.000 0.440 307 E N -0.179 119.994 120.200 -0.045 0.000 2.501 307 E HA -0.182 4.168 4.350 0.000 0.000 0.203 307 E C 2.097 178.685 176.600 -0.019 0.000 1.072 307 E CA 0.686 57.069 56.400 -0.028 0.000 0.885 307 E CB -0.068 29.619 29.700 -0.021 0.000 0.813 307 E HN 0.391 nan 8.360 nan 0.000 0.556 308 R N -1.068 119.427 120.500 -0.009 0.000 2.237 308 R HA 0.305 4.645 4.340 0.000 0.000 0.195 308 R C 0.483 176.776 176.300 -0.013 0.000 0.956 308 R CA 0.563 56.657 56.100 -0.011 0.000 1.029 308 R CB 0.493 30.797 30.300 0.008 0.000 0.972 308 R HN -0.054 nan 8.270 nan 0.000 0.493 309 A N 1.762 124.586 122.820 0.006 0.000 2.805 309 A HA 0.599 4.919 4.320 0.000 0.000 0.301 309 A C -0.212 177.360 177.584 -0.020 0.000 1.557 309 A CA -0.179 51.857 52.037 -0.002 0.000 1.254 309 A CB -0.165 18.844 19.000 0.016 0.000 1.114 309 A HN 0.281 nan 8.150 nan 0.000 0.553 310 A N 2.109 124.906 122.820 -0.039 0.000 2.384 310 A HA 0.760 5.080 4.320 0.000 0.000 0.312 310 A C -0.066 177.484 177.584 -0.057 0.000 1.113 310 A CA -0.858 51.151 52.037 -0.048 0.000 0.779 310 A CB 0.857 19.820 19.000 -0.062 0.000 1.307 310 A HN 0.598 nan 8.150 nan 0.000 0.436 311 K N 0.925 121.294 120.400 -0.051 0.000 2.270 311 K HA 0.446 4.766 4.320 0.000 0.000 0.276 311 K C -0.716 175.849 176.600 -0.058 0.000 1.023 311 K CA 0.251 56.504 56.287 -0.056 0.000 0.955 311 K CB 0.240 32.715 32.500 -0.041 0.000 0.975 311 K HN 0.502 nan 8.250 nan 0.000 0.471 312 M N 3.338 122.902 119.600 -0.061 0.000 2.294 312 M HA 0.246 4.726 4.480 0.000 0.000 0.335 312 M C -0.397 175.911 176.300 0.013 0.000 1.079 312 M CA -1.124 54.156 55.300 -0.033 0.000 0.982 312 M CB 0.704 33.282 32.600 -0.037 0.000 1.651 312 M HN 0.752 nan 8.290 nan 0.000 0.437 313 N N 1.602 120.341 118.700 0.065 0.000 2.503 313 N HA 0.106 4.846 4.740 0.000 0.000 0.267 313 N C 0.229 175.796 175.510 0.096 0.000 1.214 313 N CA -0.126 52.971 53.050 0.078 0.000 0.959 313 N CB 0.994 39.539 38.487 0.097 0.000 1.142 313 N HN 0.470 nan 8.380 nan 0.000 0.455 314 D N 1.092 121.530 120.400 0.063 0.000 2.133 314 D HA -0.163 4.477 4.640 0.000 0.000 0.195 314 D C 1.317 177.651 176.300 0.057 0.000 0.997 314 D CA 1.496 55.530 54.000 0.056 0.000 0.840 314 D CB -0.423 40.399 40.800 0.036 0.000 0.947 314 D HN 0.636 nan 8.370 nan 0.000 0.452 315 S N -0.235 115.492 115.700 0.045 0.000 2.442 315 S HA -0.110 4.360 4.470 0.000 0.000 0.236 315 S C 1.377 175.964 174.600 -0.022 0.000 1.007 315 S CA 0.444 58.642 58.200 -0.003 0.000 0.965 315 S CB -0.063 63.122 63.200 -0.024 0.000 0.773 315 S HN 0.187 nan 8.310 nan 0.000 0.504 316 F N 0.179 120.126 119.950 -0.006 0.000 2.724 316 F HA 0.437 4.964 4.527 0.000 0.000 0.306 316 F C 1.682 177.477 175.800 -0.008 0.000 1.100 316 F CA 0.151 58.146 58.000 -0.009 0.000 1.255 316 F CB 0.833 39.827 39.000 -0.010 0.000 1.072 316 F HN 0.256 nan 8.300 nan 0.000 0.589 317 G N -1.446 107.484 108.800 0.217 0.000 3.685 317 G HA2 0.168 4.128 3.960 0.000 0.000 0.215 317 G HA3 0.168 4.128 3.960 0.000 0.000 0.215 317 G C 1.162 176.124 174.900 0.103 0.000 0.987 317 G CA 0.087 45.273 45.100 0.143 0.000 0.884 317 G HN 0.794 nan 8.290 nan 0.000 0.406 318 G N 0.067 108.917 108.800 0.083 0.000 2.205 318 G HA2 0.126 4.087 3.960 0.000 0.000 0.261 318 G HA3 0.126 4.087 3.960 0.000 0.000 0.261 318 G C 1.373 176.284 174.900 0.017 0.000 0.980 318 G CA 1.231 46.362 45.100 0.053 0.000 0.632 318 G HN 1.885 nan 8.290 nan 0.000 0.533 319 G N -0.341 108.492 108.800 0.054 0.000 2.529 319 G HA2 0.728 4.688 3.960 0.000 0.000 0.277 319 G HA3 0.728 4.688 3.960 0.000 0.000 0.277 319 G C 0.447 175.263 174.900 -0.140 0.000 1.383 319 G CA 1.296 46.437 45.100 0.068 0.000 1.050 319 G HN 1.984 nan 8.290 nan 0.000 0.526 320 S N -2.807 112.854 115.700 -0.064 0.000 2.669 320 S HA 0.579 5.049 4.470 0.000 0.000 0.266 320 S C -1.765 172.858 174.600 0.038 0.000 1.149 320 S CA -0.706 57.444 58.200 -0.084 0.000 0.842 320 S CB 1.695 64.765 63.200 -0.217 0.000 1.160 320 S HN 1.519 nan 8.310 nan 0.000 0.487 321 L N 0.687 121.920 121.223 0.017 0.000 2.830 321 L HA 0.589 4.929 4.340 0.000 0.000 0.259 321 L C -1.074 175.798 176.870 0.004 0.000 0.943 321 L CA 0.322 55.185 54.840 0.039 0.000 0.997 321 L CB 1.602 43.669 42.059 0.014 0.000 1.427 321 L HN 0.986 nan 8.230 nan 0.000 0.456 322 T N 3.543 118.102 114.554 0.009 0.000 2.837 322 T HA 0.875 5.225 4.350 0.000 0.000 0.285 322 T C -0.374 174.295 174.700 -0.053 0.000 0.984 322 T CA 0.020 62.112 62.100 -0.013 0.000 1.049 322 T CB 1.372 70.240 68.868 -0.000 0.000 0.947 322 T HN 0.765 nan 8.240 nan 0.000 0.472 323 A N 3.594 126.380 122.820 -0.056 0.000 2.357 323 A HA 0.683 5.003 4.320 0.000 0.000 0.295 323 A C -1.197 176.359 177.584 -0.047 0.000 1.121 323 A CA -0.730 51.242 52.037 -0.108 0.000 0.742 323 A CB 0.387 19.360 19.000 -0.046 0.000 1.181 323 A HN 0.670 nan 8.150 nan 0.000 0.454 324 L N 4.385 125.559 121.223 -0.082 0.000 2.283 324 L HA 0.429 4.769 4.340 0.000 0.000 0.281 324 L C -2.277 174.583 176.870 -0.017 0.000 1.033 324 L CA -1.535 53.280 54.840 -0.041 0.000 0.848 324 L CB 0.968 42.995 42.059 -0.052 0.000 1.226 324 L HN 0.410 nan 8.230 nan 0.000 0.429 325 P HA 0.134 nan 4.420 nan 0.000 0.282 325 P C -0.350 176.922 177.300 -0.047 0.000 1.262 325 P CA -0.190 62.918 63.100 0.013 0.000 0.773 325 P CB 1.610 33.258 31.700 -0.086 0.000 0.879 326 V N 5.821 125.702 119.914 -0.055 0.000 2.546 326 V HA 0.260 4.380 4.120 0.000 0.000 0.284 326 V C 0.685 176.752 176.094 -0.044 0.000 1.050 326 V CA -0.083 62.189 62.300 -0.047 0.000 0.981 326 V CB 0.842 32.633 31.823 -0.053 0.000 0.990 326 V HN 0.438 nan 8.190 nan 0.000 0.474 327 I N 3.294 123.855 120.570 -0.016 0.000 2.533 327 I HA 0.349 4.519 4.170 0.000 0.000 0.290 327 I C -0.132 176.005 176.117 0.033 0.000 1.056 327 I CA -0.992 60.310 61.300 0.002 0.000 1.057 327 I CB 1.936 39.932 38.000 -0.006 0.000 1.240 327 I HN 0.673 nan 8.210 nan 0.000 0.423 328 E N 3.826 124.052 120.200 0.044 0.000 2.166 328 E HA 0.205 4.556 4.350 0.000 0.000 0.279 328 E C -0.713 175.932 176.600 0.074 0.000 1.095 328 E CA 0.146 56.581 56.400 0.059 0.000 0.888 328 E CB 0.503 30.242 29.700 0.065 0.000 1.041 328 E HN 0.486 nan 8.360 nan 0.000 0.414 329 T N 6.367 120.977 114.554 0.093 0.000 2.749 329 T HA 0.148 4.498 4.350 0.000 0.000 0.295 329 T C -0.463 174.300 174.700 0.105 0.000 0.936 329 T CA -0.699 61.471 62.100 0.118 0.000 1.060 329 T CB 0.678 69.687 68.868 0.234 0.000 0.904 329 T HN 0.379 nan 8.240 nan 0.000 0.500 330 Q N 2.321 122.176 119.800 0.092 0.000 2.423 330 Q HA 0.435 4.775 4.340 0.000 0.000 0.235 330 Q C 1.107 177.160 176.000 0.088 0.000 1.100 330 Q CA -0.127 55.726 55.803 0.083 0.000 0.908 330 Q CB 0.417 29.201 28.738 0.077 0.000 1.312 330 Q HN 0.989 nan 8.270 nan 0.000 0.497 331 A N 2.109 124.984 122.820 0.092 0.000 3.721 331 A HA -0.260 4.060 4.320 0.000 0.000 0.270 331 A C 1.218 178.874 177.584 0.120 0.000 1.036 331 A CA 1.933 54.026 52.037 0.094 0.000 1.102 331 A CB -1.755 17.291 19.000 0.077 0.000 1.100 331 A HN 1.242 nan 8.150 nan 0.000 0.887 332 G N -1.572 107.322 108.800 0.157 0.000 2.738 332 G HA2 0.139 4.099 3.960 0.000 0.000 0.195 332 G HA3 0.139 4.099 3.960 0.000 0.000 0.195 332 G C -0.215 174.782 174.900 0.162 0.000 1.001 332 G CA 0.807 46.052 45.100 0.242 0.000 0.759 332 G HN 1.502 nan 8.290 nan 0.000 0.494 333 D N 1.450 121.899 120.400 0.083 0.000 2.358 333 D HA 0.388 5.028 4.640 0.000 0.000 0.258 333 D C 1.760 178.036 176.300 -0.040 0.000 1.223 333 D CA 0.646 54.659 54.000 0.020 0.000 0.886 333 D CB 1.374 42.195 40.800 0.036 0.000 1.120 333 D HN 0.628 nan 8.370 nan 0.000 0.482 334 V N 1.210 121.036 119.914 -0.146 0.000 3.590 334 V HA 0.077 4.197 4.120 0.000 0.000 0.265 334 V C 1.276 177.298 176.094 -0.121 0.000 1.239 334 V CA 0.781 62.944 62.300 -0.228 0.000 1.117 334 V CB -0.204 31.316 31.823 -0.505 0.000 0.818 334 V HN 0.512 nan 8.190 nan 0.000 0.451 335 S N 0.778 116.437 115.700 -0.069 0.000 2.634 335 S HA 0.613 5.083 4.470 0.000 0.000 0.221 335 S C 0.947 175.556 174.600 0.014 0.000 0.952 335 S CA 0.220 58.401 58.200 -0.031 0.000 0.930 335 S CB -0.229 62.957 63.200 -0.025 0.000 0.780 335 S HN 0.957 nan 8.310 nan 0.000 0.498 336 A N 1.541 124.384 122.820 0.037 0.000 2.406 336 A HA 0.419 4.739 4.320 0.000 0.000 0.243 336 A C -0.120 177.551 177.584 0.145 0.000 1.082 336 A CA -0.433 51.664 52.037 0.100 0.000 0.786 336 A CB -0.265 18.802 19.000 0.111 0.000 1.029 336 A HN 0.513 nan 8.150 nan 0.000 0.495 337 Y N 1.936 122.278 120.300 0.070 0.000 2.721 337 Y HA 0.171 4.722 4.550 0.000 0.000 0.329 337 Y C 1.087 177.017 175.900 0.049 0.000 1.211 337 Y CA 1.325 59.474 58.100 0.080 0.000 1.512 337 Y CB -0.080 38.463 38.460 0.139 0.000 1.249 337 Y HN 0.600 nan 8.280 nan 0.000 0.549 338 I N 2.509 123.108 120.570 0.047 0.000 4.805 338 I HA -0.310 3.860 4.170 0.000 0.000 0.199 338 I C -1.415 174.705 176.117 0.004 0.000 0.523 338 I CA 0.863 62.159 61.300 -0.006 0.000 1.519 338 I CB -2.570 35.422 38.000 -0.014 0.000 3.385 338 I HN 0.432 nan 8.210 nan 0.000 1.040 339 P HA -0.113 nan 4.420 nan 0.000 0.215 339 P C 1.615 178.902 177.300 -0.021 0.000 1.157 339 P CA 3.353 66.453 63.100 -0.000 0.000 0.863 339 P CB -0.168 31.529 31.700 -0.004 0.000 0.787 340 T N -2.319 112.218 114.554 -0.029 0.000 2.607 340 T HA -0.286 4.064 4.350 0.000 0.000 0.267 340 T C 1.742 176.432 174.700 -0.017 0.000 1.049 340 T CA 1.932 64.008 62.100 -0.039 0.000 1.162 340 T CB -1.757 67.072 68.868 -0.065 0.000 0.863 340 T HN 0.087 nan 8.240 nan 0.000 0.424 341 N N 0.731 119.398 118.700 -0.053 0.000 2.069 341 N HA -0.148 4.592 4.740 0.000 0.000 0.196 341 N C 1.621 177.169 175.510 0.064 0.000 1.024 341 N CA 1.878 54.959 53.050 0.051 0.000 0.869 341 N CB -0.360 38.079 38.487 -0.079 0.000 1.035 341 N HN 0.333 nan 8.380 nan 0.000 0.434 342 V N 0.077 119.998 119.914 0.011 0.000 3.052 342 V HA 0.043 4.163 4.120 0.000 0.000 0.254 342 V C 1.761 177.838 176.094 -0.029 0.000 1.100 342 V CA 0.784 63.070 62.300 -0.023 0.000 1.112 342 V CB -0.121 31.686 31.823 -0.025 0.000 0.738 342 V HN 0.406 nan 8.190 nan 0.000 0.469 343 I N -0.719 119.842 120.570 -0.014 0.000 3.728 343 I HA 0.080 4.250 4.170 0.000 0.000 0.307 343 I C 1.817 177.938 176.117 0.007 0.000 1.276 343 I CA 0.364 61.653 61.300 -0.018 0.000 1.285 343 I CB 0.373 38.350 38.000 -0.038 0.000 1.038 343 I HN 0.242 nan 8.210 nan 0.000 0.445 344 S N 0.070 115.798 115.700 0.045 0.000 2.634 344 S HA 0.316 4.786 4.470 0.000 0.000 0.221 344 S C 1.165 175.832 174.600 0.112 0.000 0.952 344 S CA 0.021 58.275 58.200 0.089 0.000 0.930 344 S CB -0.006 63.282 63.200 0.147 0.000 0.780 344 S HN 0.427 nan 8.310 nan 0.000 0.498 345 I N -0.470 120.124 120.570 0.039 0.000 3.626 345 I HA 0.122 4.292 4.170 0.000 0.000 0.256 345 I C 0.760 176.869 176.117 -0.014 0.000 1.105 345 I CA -0.106 61.194 61.300 0.002 0.000 1.656 345 I CB -0.747 37.194 38.000 -0.098 0.000 1.672 345 I HN 0.171 nan 8.210 nan 0.000 0.421 346 T N 1.889 116.422 114.554 -0.034 0.000 2.923 346 T HA -0.025 4.325 4.350 0.000 0.000 0.320 346 T C -0.605 174.088 174.700 -0.013 0.000 1.074 346 T CA -0.135 61.948 62.100 -0.028 0.000 1.131 346 T CB -0.272 68.574 68.868 -0.036 0.000 1.058 346 T HN 0.292 nan 8.240 nan 0.000 0.535 347 D N 0.523 120.917 120.400 -0.010 0.000 2.427 347 D HA 0.555 5.196 4.640 0.000 0.000 0.226 347 D C 0.531 176.829 176.300 -0.003 0.000 1.076 347 D CA -0.245 53.753 54.000 -0.004 0.000 0.849 347 D CB 0.500 41.299 40.800 -0.002 0.000 1.052 347 D HN 1.112 nan 8.370 nan 0.000 0.515 348 G N 2.339 111.139 108.800 -0.001 0.000 3.421 348 G HA2 0.182 4.142 3.960 0.000 0.000 0.686 348 G HA3 0.182 4.142 3.960 0.000 0.000 0.686 348 G C -0.908 173.994 174.900 0.003 0.000 1.056 348 G CA -1.135 43.967 45.100 0.004 0.000 0.891 348 G HN 0.720 nan 8.290 nan 0.000 0.514 349 Q N 1.468 121.274 119.800 0.010 0.000 2.347 349 Q HA 0.709 5.049 4.340 0.000 0.000 0.265 349 Q C -0.078 175.951 176.000 0.048 0.000 1.024 349 Q CA -1.008 54.803 55.803 0.014 0.000 0.731 349 Q CB 1.469 30.203 28.738 -0.008 0.000 1.245 349 Q HN 0.630 nan 8.270 nan 0.000 0.472 350 I N 3.572 124.175 120.570 0.055 0.000 2.363 350 I HA 0.191 4.361 4.170 0.000 0.000 0.292 350 I C -0.503 175.708 176.117 0.156 0.000 1.075 350 I CA -0.568 60.781 61.300 0.081 0.000 1.333 350 I CB 0.171 38.197 38.000 0.043 0.000 1.415 350 I HN 0.586 nan 8.210 nan 0.000 0.502 351 F N 8.371 128.312 119.950 -0.015 0.000 2.410 351 F HA 0.482 5.009 4.527 0.000 0.000 0.348 351 F C -0.600 175.182 175.800 -0.029 0.000 1.106 351 F CA -1.116 56.873 58.000 -0.018 0.000 1.163 351 F CB 0.650 39.645 39.000 -0.007 0.000 1.129 351 F HN 0.208 nan 8.300 nan 0.000 0.516 352 L N 6.297 127.450 121.223 -0.118 0.000 2.298 352 L HA 0.387 4.727 4.340 0.000 0.000 0.284 352 L C -0.562 175.936 176.870 -0.619 0.000 1.013 352 L CA -0.480 54.164 54.840 -0.328 0.000 0.824 352 L CB 1.543 43.497 42.059 -0.176 0.000 1.221 352 L HN 0.537 nan 8.230 nan 0.000 0.418 353 E N 1.473 121.275 120.200 -0.663 0.000 2.092 353 E HA 0.103 4.454 4.350 0.000 0.000 0.271 353 E C 0.560 176.954 176.600 -0.343 0.000 0.919 353 E CA -0.255 55.795 56.400 -0.584 0.000 0.760 353 E CB 2.101 31.434 29.700 -0.610 0.000 1.106 353 E HN 0.534 nan 8.360 nan 0.000 0.408 354 T N 2.281 116.678 114.554 -0.262 0.000 2.759 354 T HA -0.243 4.107 4.350 0.000 0.000 0.269 354 T C 1.682 176.238 174.700 -0.241 0.000 1.042 354 T CA 1.735 63.701 62.100 -0.223 0.000 1.140 354 T CB 0.002 68.845 68.868 -0.043 0.000 0.864 354 T HN 0.498 nan 8.240 nan 0.000 0.455 355 E N 0.403 120.534 120.200 -0.116 0.000 2.187 355 E HA -0.155 4.195 4.350 0.000 0.000 0.199 355 E C 1.946 178.490 176.600 -0.093 0.000 1.004 355 E CA 1.326 57.702 56.400 -0.041 0.000 0.813 355 E CB -0.287 29.407 29.700 -0.010 0.000 0.736 355 E HN 0.622 nan 8.360 nan 0.000 0.468 356 L N -1.232 119.891 121.223 -0.166 0.000 2.194 356 L HA 0.014 4.354 4.340 0.000 0.000 0.197 356 L C 2.113 178.863 176.870 -0.201 0.000 1.106 356 L CA 0.470 55.233 54.840 -0.128 0.000 0.785 356 L CB -0.779 41.220 42.059 -0.100 0.000 0.960 356 L HN 0.006 nan 8.230 nan 0.000 0.465 357 F N 1.319 121.009 119.950 -0.435 0.000 2.623 357 F HA -0.485 4.042 4.527 0.000 0.000 0.256 357 F C 2.496 178.097 175.800 -0.332 0.000 1.270 357 F CA 2.256 59.980 58.000 -0.460 0.000 1.671 357 F CB -1.640 36.978 39.000 -0.637 0.000 0.693 357 F HN 0.140 nan 8.300 nan 0.000 0.469 358 Y N -0.228 120.041 120.300 -0.051 0.000 2.283 358 Y HA -0.218 4.332 4.550 0.000 0.000 0.285 358 Y C 2.283 178.117 175.900 -0.111 0.000 1.176 358 Y CA 1.551 59.549 58.100 -0.171 0.000 1.229 358 Y CB -1.419 37.003 38.460 -0.063 0.000 0.975 358 Y HN 0.272 nan 8.280 nan 0.000 0.537 359 K N -0.190 120.227 120.400 0.028 0.000 2.360 359 K HA 0.017 4.337 4.320 0.000 0.000 0.201 359 K C 1.818 178.406 176.600 -0.020 0.000 1.046 359 K CA 0.939 57.240 56.287 0.022 0.000 0.945 359 K CB -0.407 32.104 32.500 0.018 0.000 0.750 359 K HN 0.610 nan 8.250 nan 0.000 0.464 360 G N 0.726 109.486 108.800 -0.066 0.000 2.238 360 G HA2 -0.180 3.781 3.960 0.000 0.000 0.217 360 G HA3 -0.180 3.781 3.960 0.000 0.000 0.217 360 G C 0.204 175.075 174.900 -0.047 0.000 0.996 360 G CA -0.332 44.724 45.100 -0.073 0.000 0.632 360 G HN 0.123 nan 8.290 nan 0.000 0.503 361 I N 3.520 124.073 120.570 -0.028 0.000 2.553 361 I HA 0.214 4.384 4.170 0.000 0.000 0.295 361 I C 1.152 177.288 176.117 0.031 0.000 1.128 361 I CA 0.292 61.590 61.300 -0.002 0.000 2.128 361 I CB -1.685 36.312 38.000 -0.005 0.000 1.543 361 I HN 0.432 nan 8.210 nan 0.000 0.970 362 R N 3.451 123.982 120.500 0.053 0.000 2.637 362 R HA 0.555 4.895 4.340 0.000 0.000 0.291 362 R C -2.433 173.910 176.300 0.071 0.000 0.963 362 R CA -1.725 54.457 56.100 0.138 0.000 0.901 362 R CB 0.811 31.248 30.300 0.227 0.000 1.160 362 R HN -0.140 nan 8.270 nan 0.000 0.457 363 P HA -0.149 nan 4.420 nan 0.000 0.221 363 P C -0.199 177.090 177.300 -0.018 0.000 1.145 363 P CA 2.038 65.159 63.100 0.034 0.000 0.795 363 P CB 0.122 31.823 31.700 0.001 0.000 0.775 364 A N -1.102 121.705 122.820 -0.020 0.000 2.331 364 A HA -0.160 4.160 4.320 0.000 0.000 0.274 364 A C -0.101 177.395 177.584 -0.147 0.000 1.395 364 A CA 0.042 52.030 52.037 -0.082 0.000 0.721 364 A CB -2.456 16.475 19.000 -0.114 0.000 1.160 364 A HN 0.192 nan 8.150 nan 0.000 0.345 365 I N 1.103 121.625 120.570 -0.079 0.000 2.362 365 I HA 0.270 4.441 4.170 0.000 0.000 0.289 365 I C 0.487 176.604 176.117 0.000 0.000 0.994 365 I CA -0.774 60.498 61.300 -0.046 0.000 1.158 365 I CB 1.760 39.763 38.000 0.006 0.000 1.315 365 I HN 0.531 nan 8.210 nan 0.000 0.451 366 N N 6.012 124.744 118.700 0.053 0.000 2.605 366 N HA 0.145 4.885 4.740 0.000 0.000 0.258 366 N C -0.565 175.042 175.510 0.161 0.000 1.156 366 N CA -0.121 53.020 53.050 0.151 0.000 1.008 366 N CB 0.406 39.103 38.487 0.349 0.000 1.354 366 N HN 0.310 nan 8.380 nan 0.000 0.509 367 V N 2.515 122.491 119.914 0.104 0.000 2.557 367 V HA 0.279 4.399 4.120 0.000 0.000 0.301 367 V C 1.573 177.722 176.094 0.092 0.000 1.026 367 V CA 1.330 63.681 62.300 0.086 0.000 1.137 367 V CB 0.345 32.210 31.823 0.070 0.000 0.917 367 V HN 0.930 nan 8.190 nan 0.000 0.484 368 G N 4.433 113.279 108.800 0.077 0.000 2.491 368 G HA2 -0.168 3.792 3.960 0.000 0.000 0.203 368 G HA3 -0.168 3.792 3.960 0.000 0.000 0.203 368 G C 0.140 175.074 174.900 0.057 0.000 1.052 368 G CA -0.157 44.983 45.100 0.066 0.000 0.675 368 G HN 0.494 nan 8.290 nan 0.000 0.504 369 L N 2.596 123.867 121.223 0.081 0.000 3.108 369 L HA 0.596 4.936 4.340 0.000 0.000 0.251 369 L C 0.610 177.505 176.870 0.041 0.000 1.315 369 L CA 0.819 55.682 54.840 0.039 0.000 1.048 369 L CB -0.877 41.206 42.059 0.039 0.000 1.432 369 L HN 0.909 nan 8.230 nan 0.000 0.543 370 S N -0.586 115.146 115.700 0.054 0.000 2.597 370 S HA 0.788 5.259 4.470 0.000 0.000 0.274 370 S C -0.718 173.907 174.600 0.042 0.000 1.132 370 S CA -0.703 57.532 58.200 0.057 0.000 0.835 370 S CB 2.452 65.721 63.200 0.116 0.000 1.092 370 S HN 0.016 nan 8.310 nan 0.000 0.457 371 V N -1.942 117.991 119.914 0.031 0.000 3.282 371 V HA 0.807 4.927 4.120 0.000 0.000 0.295 371 V C 0.720 176.825 176.094 0.019 0.000 1.451 371 V CA -0.184 62.130 62.300 0.023 0.000 1.062 371 V CB 0.919 32.751 31.823 0.016 0.000 1.128 371 V HN 1.121 nan 8.190 nan 0.000 0.456 372 S N -0.182 115.528 115.700 0.015 0.000 2.478 372 S HA 0.086 4.556 4.470 0.000 0.000 0.222 372 S C 1.490 176.095 174.600 0.008 0.000 1.008 372 S CA 1.522 59.729 58.200 0.012 0.000 0.928 372 S CB -0.629 62.578 63.200 0.011 0.000 0.781 372 S HN 1.411 nan 8.310 nan 0.000 0.518 373 R N 0.110 120.615 120.500 0.008 0.000 1.732 373 R HA -0.189 4.151 4.340 0.000 0.000 0.091 373 R C 1.082 177.386 176.300 0.005 0.000 0.933 373 R CA 2.181 58.285 56.100 0.006 0.000 1.938 373 R CB -2.070 28.233 30.300 0.005 0.000 0.530 373 R HN 0.329 nan 8.270 nan 0.000 0.704 374 V N 0.748 120.664 119.914 0.004 0.000 3.140 374 V HA 0.119 4.239 4.120 0.000 0.000 0.269 374 V C 1.414 177.510 176.094 0.004 0.000 1.149 374 V CA 2.225 64.527 62.300 0.003 0.000 1.162 374 V CB -1.235 30.589 31.823 0.002 0.000 0.756 374 V HN 1.035 nan 8.190 nan 0.000 0.523 375 G N -0.427 108.377 108.800 0.006 0.000 2.782 375 G HA2 -0.258 3.702 3.960 0.000 0.000 0.228 375 G HA3 -0.258 3.702 3.960 0.000 0.000 0.228 375 G C 0.611 175.514 174.900 0.006 0.000 1.372 375 G CA 0.222 45.325 45.100 0.006 0.000 0.862 375 G HN 1.058 nan 8.290 nan 0.000 0.547 376 S N -0.471 115.233 115.700 0.006 0.000 2.488 376 S HA 0.075 4.545 4.470 0.000 0.000 0.246 376 S C 2.606 177.210 174.600 0.007 0.000 0.992 376 S CA 1.863 60.066 58.200 0.006 0.000 0.963 376 S CB -0.472 62.731 63.200 0.006 0.000 0.754 376 S HN 2.202 nan 8.310 nan 0.000 0.519 377 A N 2.240 125.064 122.820 0.006 0.000 1.917 377 A HA 0.053 4.373 4.320 0.000 0.000 0.219 377 A C 2.552 180.140 177.584 0.008 0.000 1.182 377 A CA 2.034 54.075 52.037 0.006 0.000 0.633 377 A CB -1.525 17.477 19.000 0.004 0.000 0.819 377 A HN 0.837 nan 8.150 nan 0.000 0.448 378 A N 0.297 123.122 122.820 0.008 0.000 1.841 378 A HA -0.080 4.240 4.320 0.000 0.000 0.214 378 A C 1.438 179.030 177.584 0.014 0.000 1.195 378 A CA 1.060 53.104 52.037 0.011 0.000 0.611 378 A CB -0.838 18.168 19.000 0.010 0.000 0.835 378 A HN 0.772 nan 8.150 nan 0.000 0.443 379 Q N 2.108 121.916 119.800 0.012 0.000 2.257 379 Q HA 0.262 4.602 4.340 0.000 0.000 0.273 379 Q C 0.210 176.217 176.000 0.013 0.000 1.153 379 Q CA 0.307 56.118 55.803 0.013 0.000 0.922 379 Q CB -0.637 28.108 28.738 0.012 0.000 1.242 379 Q HN 0.529 nan 8.270 nan 0.000 0.409 380 T N 0.893 115.456 114.554 0.015 0.000 2.724 380 T HA 0.037 4.387 4.350 0.000 0.000 0.324 380 T C 0.982 175.687 174.700 0.009 0.000 1.071 380 T CA -0.386 61.721 62.100 0.013 0.000 1.061 380 T CB 0.693 69.569 68.868 0.014 0.000 0.990 380 T HN 0.670 nan 8.240 nan 0.000 0.543 381 R N 1.074 121.578 120.500 0.006 0.000 2.204 381 R HA -0.077 4.263 4.340 0.000 0.000 0.253 381 R C 2.623 178.926 176.300 0.006 0.000 1.172 381 R CA 1.705 57.808 56.100 0.005 0.000 0.994 381 R CB -1.574 28.727 30.300 0.001 0.000 0.874 381 R HN 0.818 nan 8.270 nan 0.000 0.462 382 A N 0.315 123.137 122.820 0.003 0.000 1.835 382 A HA -0.159 4.161 4.320 0.000 0.000 0.215 382 A C 1.936 179.530 177.584 0.016 0.000 1.199 382 A CA 1.677 53.715 52.037 0.002 0.000 0.615 382 A CB -0.335 18.662 19.000 -0.004 0.000 0.838 382 A HN 0.100 nan 8.150 nan 0.000 0.444 383 M N -0.524 119.085 119.600 0.016 0.000 2.229 383 M HA -0.039 4.441 4.480 0.000 0.000 0.264 383 M C 1.954 178.263 176.300 0.016 0.000 1.063 383 M CA 1.478 56.789 55.300 0.018 0.000 1.114 383 M CB -1.208 31.401 32.600 0.015 0.000 1.387 383 M HN 0.486 nan 8.290 nan 0.000 0.420 384 K N 0.200 120.608 120.400 0.013 0.000 2.442 384 K HA -0.170 4.150 4.320 0.000 0.000 0.198 384 K C 1.952 178.559 176.600 0.012 0.000 1.042 384 K CA 0.878 57.171 56.287 0.010 0.000 0.958 384 K CB 0.163 32.668 32.500 0.008 0.000 0.766 384 K HN 0.412 nan 8.250 nan 0.000 0.474 385 Q N -0.269 119.543 119.800 0.020 0.000 2.349 385 Q HA -0.054 4.286 4.340 0.000 0.000 0.209 385 Q C 1.624 177.646 176.000 0.037 0.000 0.920 385 Q CA 0.671 56.492 55.803 0.030 0.000 0.901 385 Q CB 0.631 29.392 28.738 0.039 0.000 1.021 385 Q HN 0.243 nan 8.270 nan 0.000 0.519 386 V N -3.475 116.463 119.914 0.039 0.000 2.939 386 V HA 0.396 4.516 4.120 0.000 0.000 0.228 386 V C 2.054 178.151 176.094 0.006 0.000 1.162 386 V CA 0.602 62.923 62.300 0.034 0.000 1.222 386 V CB -0.992 30.880 31.823 0.082 0.000 1.053 386 V HN 0.124 nan 8.190 nan 0.000 0.504 387 A N 1.466 124.292 122.820 0.011 0.000 2.131 387 A HA 0.011 4.331 4.320 0.000 0.000 0.220 387 A C 2.246 179.827 177.584 -0.005 0.000 1.158 387 A CA 1.946 53.984 52.037 0.001 0.000 0.665 387 A CB -1.569 17.435 19.000 0.007 0.000 0.795 387 A HN 0.974 nan 8.150 nan 0.000 0.460 388 G N -0.292 108.507 108.800 -0.003 0.000 2.517 388 G HA2 -0.306 3.654 3.960 0.000 0.000 0.222 388 G HA3 -0.306 3.654 3.960 0.000 0.000 0.222 388 G C 1.632 176.525 174.900 -0.012 0.000 1.109 388 G CA 2.097 47.194 45.100 -0.005 0.000 0.746 388 G HN 0.713 nan 8.290 nan 0.000 0.576 389 T N -2.147 112.394 114.554 -0.023 0.000 2.983 389 T HA 0.130 4.480 4.350 0.000 0.000 0.250 389 T C 2.299 176.975 174.700 -0.039 0.000 1.037 389 T CA 0.942 63.023 62.100 -0.033 0.000 1.142 389 T CB -0.172 68.667 68.868 -0.048 0.000 0.876 389 T HN 0.054 nan 8.240 nan 0.000 0.455 390 M N 2.935 122.509 119.600 -0.042 0.000 2.609 390 M HA -0.242 4.238 4.480 0.000 0.000 0.261 390 M C 2.212 178.487 176.300 -0.042 0.000 1.061 390 M CA 2.783 58.054 55.300 -0.048 0.000 1.068 390 M CB -0.702 31.878 32.600 -0.033 0.000 1.258 390 M HN 0.559 nan 8.290 nan 0.000 0.471 391 K N -0.888 119.500 120.400 -0.020 0.000 2.002 391 K HA -0.135 4.186 4.320 0.000 0.000 0.209 391 K C 1.765 178.365 176.600 0.001 0.000 1.048 391 K CA 1.575 57.859 56.287 -0.006 0.000 0.930 391 K CB -0.877 31.627 32.500 0.006 0.000 0.714 391 K HN 0.172 nan 8.250 nan 0.000 0.438 392 L N 1.971 123.195 121.223 0.000 0.000 2.376 392 L HA -0.004 4.336 4.340 0.000 0.000 0.219 392 L C 2.423 179.298 176.870 0.007 0.000 1.133 392 L CA 1.464 56.310 54.840 0.009 0.000 0.816 392 L CB -0.626 41.437 42.059 0.007 0.000 0.933 392 L HN 0.431 nan 8.230 nan 0.000 0.449 393 E N -0.351 119.837 120.200 -0.021 0.000 2.077 393 E HA -0.206 4.145 4.350 0.000 0.000 0.193 393 E C 2.053 178.634 176.600 -0.032 0.000 0.989 393 E CA 1.150 57.522 56.400 -0.047 0.000 0.800 393 E CB -0.014 29.622 29.700 -0.107 0.000 0.746 393 E HN 0.519 nan 8.360 nan 0.000 0.452 394 L N 0.238 121.443 121.223 -0.029 0.000 2.270 394 L HA 0.075 4.415 4.340 0.000 0.000 0.210 394 L C 2.595 179.553 176.870 0.147 0.000 1.104 394 L CA 0.396 55.266 54.840 0.050 0.000 0.804 394 L CB -0.437 41.628 42.059 0.010 0.000 0.937 394 L HN 0.148 nan 8.230 nan 0.000 0.450 395 A N 0.281 123.154 122.820 0.089 0.000 1.849 395 A HA -0.314 4.006 4.320 0.000 0.000 0.216 395 A C 2.287 179.928 177.584 0.096 0.000 1.225 395 A CA 2.096 54.182 52.037 0.082 0.000 0.653 395 A CB -0.833 18.198 19.000 0.052 0.000 0.844 395 A HN 0.368 nan 8.150 nan 0.000 0.453 396 Q N -1.827 118.022 119.800 0.082 0.000 2.170 396 Q HA -0.187 4.153 4.340 0.000 0.000 0.203 396 Q C 1.804 177.855 176.000 0.085 0.000 0.976 396 Q CA 1.900 57.740 55.803 0.060 0.000 0.858 396 Q CB -0.449 28.309 28.738 0.033 0.000 0.907 396 Q HN 0.776 nan 8.270 nan 0.000 0.433 397 Y N 1.233 121.531 120.300 -0.002 0.000 2.365 397 Y HA -0.244 4.306 4.550 0.000 0.000 0.287 397 Y C 2.253 178.169 175.900 0.027 0.000 1.162 397 Y CA 1.790 59.891 58.100 0.003 0.000 1.260 397 Y CB -0.131 38.331 38.460 0.004 0.000 0.976 397 Y HN 0.082 nan 8.280 nan 0.000 0.548 398 R N 0.298 120.857 120.500 0.099 0.000 2.170 398 R HA -0.207 4.133 4.340 0.000 0.000 0.242 398 R C 2.350 178.664 176.300 0.022 0.000 1.145 398 R CA 1.602 57.738 56.100 0.061 0.000 0.984 398 R CB -0.222 30.133 30.300 0.093 0.000 0.869 398 R HN 0.475 nan 8.270 nan 0.000 0.455 399 E N 0.203 120.400 120.200 -0.006 0.000 2.011 399 E HA -0.120 4.230 4.350 0.000 0.000 0.191 399 E C 1.911 178.516 176.600 0.009 0.000 0.980 399 E CA 1.748 58.163 56.400 0.026 0.000 0.814 399 E CB -0.171 29.439 29.700 -0.150 0.000 0.775 399 E HN 0.198 nan 8.360 nan 0.000 0.454 400 V N 0.174 119.963 119.914 -0.208 0.000 2.568 400 V HA -0.131 3.989 4.120 0.000 0.000 0.253 400 V C 2.511 178.404 176.094 -0.335 0.000 1.072 400 V CA 1.954 64.105 62.300 -0.249 0.000 1.084 400 V CB -1.387 30.282 31.823 -0.256 0.000 0.676 400 V HN 0.330 nan 8.190 nan 0.000 0.469 401 A N 0.476 122.959 122.820 -0.561 0.000 1.968 401 A HA 0.402 4.722 4.320 0.000 0.000 0.217 401 A C 2.157 179.656 177.584 -0.141 0.000 1.169 401 A CA 1.406 53.152 52.037 -0.484 0.000 0.638 401 A CB -0.561 18.111 19.000 -0.547 0.000 0.812 401 A HN 0.987 nan 8.150 nan 0.000 0.446 402 A N -2.911 119.899 122.820 -0.017 0.000 2.507 402 A HA 0.592 4.912 4.320 0.000 0.000 0.270 402 A C 0.875 178.539 177.584 0.133 0.000 1.318 402 A CA -0.044 52.051 52.037 0.096 0.000 0.924 402 A CB -0.292 18.791 19.000 0.139 0.000 1.061 402 A HN 0.382 nan 8.150 nan 0.000 0.516 403 F N -2.032 117.766 119.950 -0.255 0.000 2.671 403 F HA 0.267 4.794 4.527 0.000 0.000 0.303 403 F C 2.313 177.482 175.800 -1.052 0.000 0.935 403 F CA 0.471 58.010 58.000 -0.768 0.000 1.136 403 F CB -0.172 38.560 39.000 -0.447 0.000 0.929 403 F HN 0.180 nan 8.300 nan 0.000 0.659 404 A N 0.026 122.646 122.820 -0.333 0.000 2.032 404 A HA -0.257 4.063 4.320 0.000 0.000 0.221 404 A C 1.874 179.318 177.584 -0.232 0.000 1.165 404 A CA 1.787 53.671 52.037 -0.254 0.000 0.645 404 A CB -0.806 18.111 19.000 -0.137 0.000 0.807 404 A HN 0.534 nan 8.150 nan 0.000 0.453 405 Q N -1.593 118.091 119.800 -0.192 0.000 2.508 405 Q HA -0.111 4.229 4.340 0.000 0.000 0.214 405 Q C 0.069 176.149 176.000 0.133 0.000 0.979 405 Q CA 1.133 56.944 55.803 0.014 0.000 0.911 405 Q CB -0.223 28.595 28.738 0.133 0.000 0.969 405 Q HN 0.995 nan 8.270 nan 0.000 0.504 406 F N -3.722 116.212 119.950 -0.027 0.000 2.608 406 F HA 0.513 5.040 4.527 0.000 0.000 0.383 406 F C 0.197 176.002 175.800 0.007 0.000 1.371 406 F CA -1.098 56.885 58.000 -0.027 0.000 1.123 406 F CB -0.161 38.797 39.000 -0.072 0.000 1.207 406 F HN -0.247 nan 8.300 nan 0.000 0.512 407 G N 0.372 109.105 108.800 -0.111 0.000 2.389 407 G HA2 0.550 4.510 3.960 0.000 0.000 0.317 407 G HA3 0.550 4.510 3.960 0.000 0.000 0.317 407 G C -0.197 174.705 174.900 0.003 0.000 1.137 407 G CA 0.202 45.261 45.100 -0.068 0.000 0.870 407 G HN 0.480 nan 8.290 nan 0.000 0.496 408 S N -0.351 115.362 115.700 0.021 0.000 4.055 408 S HA 0.239 4.709 4.470 0.000 0.000 0.180 408 S C -0.252 174.360 174.600 0.020 0.000 1.191 408 S CA -0.419 57.797 58.200 0.025 0.000 1.195 408 S CB 0.405 63.629 63.200 0.040 0.000 1.932 408 S HN 0.396 nan 8.310 nan 0.000 0.781 409 D N 1.948 122.364 120.400 0.026 0.000 2.545 409 D HA 0.439 5.079 4.640 0.000 0.000 0.227 409 D C -0.250 176.062 176.300 0.019 0.000 1.150 409 D CA 0.258 54.270 54.000 0.021 0.000 1.046 409 D CB 0.261 41.074 40.800 0.022 0.000 1.098 409 D HN 0.211 nan 8.370 nan 0.000 0.502 410 L N 0.069 121.299 121.223 0.012 0.000 2.816 410 L HA 0.269 4.610 4.340 0.000 0.000 0.245 410 L C -0.383 176.487 176.870 0.001 0.000 1.687 410 L CA -0.778 54.066 54.840 0.007 0.000 1.762 410 L CB 1.520 43.580 42.059 0.001 0.000 2.007 410 L HN -0.134 nan 8.230 nan 0.000 0.558 411 D N 1.244 121.640 120.400 -0.006 0.000 2.383 411 D HA 0.194 4.834 4.640 0.000 0.000 0.245 411 D C 0.748 177.046 176.300 -0.005 0.000 1.263 411 D CA 0.489 54.485 54.000 -0.007 0.000 0.936 411 D CB 1.487 42.280 40.800 -0.012 0.000 1.053 411 D HN 0.610 nan 8.370 nan 0.000 0.507 412 A N 3.638 126.458 122.820 -0.000 0.000 1.873 412 A HA -0.309 4.011 4.320 0.000 0.000 0.219 412 A C 2.076 179.661 177.584 0.002 0.000 1.269 412 A CA 2.453 54.491 52.037 0.002 0.000 0.671 412 A CB -0.755 18.247 19.000 0.004 0.000 0.842 412 A HN 0.575 nan 8.150 nan 0.000 0.460 413 A N -2.144 120.677 122.820 0.003 0.000 2.225 413 A HA -0.007 4.313 4.320 0.000 0.000 0.215 413 A C 2.079 179.666 177.584 0.004 0.000 1.164 413 A CA 2.138 54.178 52.037 0.005 0.000 0.710 413 A CB -1.296 17.706 19.000 0.005 0.000 0.780 413 A HN 0.598 nan 8.150 nan 0.000 0.473 414 T N -0.535 114.019 114.554 -0.000 0.000 2.822 414 T HA -0.260 4.090 4.350 0.000 0.000 0.270 414 T C 1.931 176.636 174.700 0.009 0.000 1.064 414 T CA 1.825 63.925 62.100 -0.001 0.000 1.131 414 T CB -0.414 68.445 68.868 -0.015 0.000 0.858 414 T HN 0.710 nan 8.240 nan 0.000 0.483 415 Q N -0.275 119.531 119.800 0.009 0.000 2.290 415 Q HA -0.256 4.084 4.340 0.000 0.000 0.211 415 Q C 2.112 178.131 176.000 0.033 0.000 0.991 415 Q CA 1.597 57.411 55.803 0.018 0.000 0.893 415 Q CB -0.072 28.675 28.738 0.015 0.000 0.913 415 Q HN 0.562 nan 8.270 nan 0.000 0.428 416 Q N 0.152 119.967 119.800 0.026 0.000 2.002 416 Q HA -0.179 4.162 4.340 0.000 0.000 0.204 416 Q C 2.197 178.220 176.000 0.038 0.000 0.988 416 Q CA 1.155 56.973 55.803 0.024 0.000 0.843 416 Q CB -0.608 28.137 28.738 0.012 0.000 0.908 416 Q HN 0.360 nan 8.270 nan 0.000 0.420 417 L N 0.440 121.693 121.223 0.051 0.000 2.261 417 L HA -0.167 4.173 4.340 0.000 0.000 0.216 417 L C 2.231 179.231 176.870 0.216 0.000 1.114 417 L CA 1.248 56.141 54.840 0.089 0.000 0.777 417 L CB -0.732 41.380 42.059 0.088 0.000 0.910 417 L HN 0.164 nan 8.230 nan 0.000 0.440 418 L N -3.295 118.056 121.223 0.213 0.000 2.253 418 L HA 0.056 4.396 4.340 0.000 0.000 0.205 418 L C 2.344 179.349 176.870 0.226 0.000 1.078 418 L CA 0.402 55.447 54.840 0.343 0.000 0.805 418 L CB -0.838 41.300 42.059 0.131 0.000 0.963 418 L HN -0.025 nan 8.230 nan 0.000 0.459 419 S N 0.887 116.651 115.700 0.107 0.000 2.419 419 S HA -0.131 4.339 4.470 0.000 0.000 0.233 419 S C 1.915 176.527 174.600 0.021 0.000 1.016 419 S CA 1.267 59.503 58.200 0.059 0.000 0.974 419 S CB -0.295 62.928 63.200 0.039 0.000 0.786 419 S HN 0.495 nan 8.310 nan 0.000 0.492 420 R N 1.070 121.562 120.500 -0.013 0.000 2.339 420 R HA 0.136 4.476 4.340 0.000 0.000 0.199 420 R C 1.795 177.991 176.300 -0.173 0.000 1.018 420 R CA 0.937 56.985 56.100 -0.086 0.000 1.036 420 R CB -0.392 29.844 30.300 -0.105 0.000 0.899 420 R HN 0.330 nan 8.270 nan 0.000 0.473 421 G N 0.928 109.623 108.800 -0.174 0.000 2.641 421 G HA2 -0.045 3.915 3.960 0.000 0.000 0.211 421 G HA3 -0.045 3.915 3.960 0.000 0.000 0.211 421 G C 1.336 176.212 174.900 -0.039 0.000 1.190 421 G CA 0.241 45.180 45.100 -0.267 0.000 0.842 421 G HN 0.078 nan 8.290 nan 0.000 0.585 422 V N 1.571 121.522 119.914 0.062 0.000 2.252 422 V HA -0.239 3.881 4.120 0.000 0.000 0.249 422 V C 3.042 179.150 176.094 0.024 0.000 1.056 422 V CA 2.366 64.700 62.300 0.056 0.000 1.022 422 V CB -0.564 31.297 31.823 0.063 0.000 0.641 422 V HN 0.180 nan 8.190 nan 0.000 0.445 423 R N -0.186 120.327 120.500 0.021 0.000 2.080 423 R HA -0.086 4.254 4.340 0.000 0.000 0.236 423 R C 2.218 178.531 176.300 0.022 0.000 1.137 423 R CA 1.255 57.372 56.100 0.028 0.000 0.943 423 R CB -1.195 29.128 30.300 0.039 0.000 0.846 423 R HN 0.343 nan 8.270 nan 0.000 0.431 424 L N 0.883 122.102 121.223 -0.007 0.000 2.079 424 L HA -0.201 4.139 4.340 0.000 0.000 0.210 424 L C 1.373 178.238 176.870 -0.008 0.000 1.081 424 L CA 2.091 56.920 54.840 -0.018 0.000 0.752 424 L CB -1.051 40.966 42.059 -0.071 0.000 0.896 424 L HN 0.303 nan 8.230 nan 0.000 0.433 425 T N 0.049 114.596 114.554 -0.011 0.000 2.624 425 T HA -0.227 4.123 4.350 0.000 0.000 0.268 425 T C 1.622 176.325 174.700 0.006 0.000 1.041 425 T CA 1.640 63.740 62.100 -0.000 0.000 1.159 425 T CB -0.195 68.681 68.868 0.014 0.000 0.863 425 T HN 0.328 nan 8.240 nan 0.000 0.434 426 E N 0.582 120.784 120.200 0.004 0.000 2.396 426 E HA -0.013 4.337 4.350 0.000 0.000 0.200 426 E C 1.951 178.561 176.600 0.016 0.000 1.023 426 E CA 0.597 56.995 56.400 -0.003 0.000 0.857 426 E CB -0.159 29.524 29.700 -0.028 0.000 0.775 426 E HN 0.514 nan 8.360 nan 0.000 0.525 427 L N -0.989 120.256 121.223 0.036 0.000 2.388 427 L HA 0.034 4.374 4.340 0.000 0.000 0.209 427 L C 2.012 178.907 176.870 0.042 0.000 1.061 427 L CA -0.034 54.842 54.840 0.060 0.000 0.834 427 L CB 0.012 42.123 42.059 0.087 0.000 1.029 427 L HN 0.059 nan 8.230 nan 0.000 0.473 428 L N 0.481 121.719 121.223 0.024 0.000 2.465 428 L HA -0.039 4.301 4.340 0.000 0.000 0.224 428 L C 0.893 177.774 176.870 0.017 0.000 1.145 428 L CA 1.228 56.078 54.840 0.016 0.000 0.834 428 L CB -0.345 41.715 42.059 0.001 0.000 0.944 428 L HN 0.030 nan 8.230 nan 0.000 0.451 429 K N 0.755 121.166 120.400 0.018 0.000 2.222 429 K HA 0.140 4.460 4.320 0.000 0.000 0.243 429 K C -0.064 176.551 176.600 0.024 0.000 1.160 429 K CA -0.299 55.999 56.287 0.018 0.000 1.090 429 K CB 0.154 32.659 32.500 0.008 0.000 1.694 429 K HN 0.046 nan 8.250 nan 0.000 0.361 430 Q N 1.229 121.046 119.800 0.028 0.000 2.392 430 Q HA 0.266 4.606 4.340 0.000 0.000 0.262 430 Q C -0.145 175.877 176.000 0.036 0.000 1.003 430 Q CA 0.421 56.242 55.803 0.031 0.000 0.888 430 Q CB 1.086 29.839 28.738 0.025 0.000 1.260 430 Q HN 0.640 nan 8.270 nan 0.000 0.435 431 G N 3.674 112.496 108.800 0.036 0.000 2.374 431 G HA2 0.428 4.388 3.960 0.000 0.000 0.298 431 G HA3 0.428 4.388 3.960 0.000 0.000 0.298 431 G C -1.762 173.165 174.900 0.046 0.000 2.674 431 G CA -0.465 44.662 45.100 0.045 0.000 0.775 431 G HN 0.535 nan 8.290 nan 0.000 0.437 432 Q N 0.685 120.513 119.800 0.047 0.000 2.959 432 Q HA 0.068 4.408 4.340 0.000 0.000 0.288 432 Q C -1.327 174.711 176.000 0.064 0.000 0.911 432 Q CA -0.753 55.093 55.803 0.073 0.000 0.800 432 Q CB 1.082 29.862 28.738 0.071 0.000 1.645 432 Q HN 0.545 nan 8.270 nan 0.000 0.454 433 Y N 1.293 121.611 120.300 0.029 0.000 2.581 433 Y HA 0.165 4.715 4.550 0.000 0.000 0.346 433 Y C -0.216 175.698 175.900 0.022 0.000 1.147 433 Y CA 0.702 58.817 58.100 0.024 0.000 1.353 433 Y CB 0.109 38.580 38.460 0.019 0.000 1.187 433 Y HN 0.350 nan 8.280 nan 0.000 0.505 434 S N 0.588 116.324 115.700 0.061 0.000 2.614 434 S HA 0.521 4.991 4.470 0.000 0.000 0.275 434 S C -3.237 171.373 174.600 0.018 0.000 1.161 434 S CA -1.527 56.707 58.200 0.057 0.000 0.969 434 S CB 2.422 65.676 63.200 0.091 0.000 1.059 434 S HN 0.047 nan 8.310 nan 0.000 0.482 435 P HA 0.414 nan 4.420 nan 0.000 0.284 435 P C -1.055 176.255 177.300 0.016 0.000 1.253 435 P CA -0.536 62.561 63.100 -0.005 0.000 0.800 435 P CB 0.769 32.451 31.700 -0.030 0.000 0.961 436 M N 1.882 121.494 119.600 0.021 0.000 2.061 436 M HA 0.350 4.830 4.480 0.000 0.000 0.346 436 M C 0.562 176.881 176.300 0.032 0.000 1.112 436 M CA -0.941 54.379 55.300 0.034 0.000 1.021 436 M CB 0.754 33.379 32.600 0.041 0.000 1.530 436 M HN 0.408 nan 8.290 nan 0.000 0.437 437 A N 2.747 125.591 122.820 0.041 0.000 2.586 437 A HA 0.020 4.340 4.320 0.000 0.000 0.231 437 A C 1.438 179.050 177.584 0.047 0.000 1.055 437 A CA -0.196 51.876 52.037 0.058 0.000 0.756 437 A CB 0.012 19.058 19.000 0.076 0.000 0.988 437 A HN 0.868 nan 8.150 nan 0.000 0.509 438 I N 0.924 121.529 120.570 0.058 0.000 2.315 438 I HA -0.261 3.909 4.170 0.000 0.000 0.251 438 I C 2.069 178.194 176.117 0.013 0.000 1.125 438 I CA 2.522 63.846 61.300 0.039 0.000 1.392 438 I CB -0.406 37.625 38.000 0.052 0.000 1.065 438 I HN 0.831 nan 8.210 nan 0.000 0.424 439 E N -0.295 119.910 120.200 0.008 0.000 2.347 439 E HA -0.131 4.219 4.350 0.000 0.000 0.196 439 E C 1.807 178.386 176.600 -0.035 0.000 1.008 439 E CA 1.036 57.421 56.400 -0.025 0.000 0.852 439 E CB -0.673 29.012 29.700 -0.026 0.000 0.783 439 E HN 0.585 nan 8.360 nan 0.000 0.505 440 E N 0.556 120.752 120.200 -0.007 0.000 2.140 440 E HA -0.086 4.264 4.350 0.000 0.000 0.191 440 E C 1.996 178.596 176.600 -0.001 0.000 0.973 440 E CA 0.477 56.875 56.400 -0.003 0.000 0.829 440 E CB -0.014 29.701 29.700 0.025 0.000 0.781 440 E HN 0.327 nan 8.360 nan 0.000 0.466 441 Q N 0.672 120.478 119.800 0.010 0.000 2.084 441 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 441 Q C 2.167 178.176 176.000 0.015 0.000 0.978 441 Q CA 1.176 56.992 55.803 0.021 0.000 0.844 441 Q CB 0.176 28.927 28.738 0.022 0.000 0.898 441 Q HN 0.098 nan 8.270 nan 0.000 0.426 442 V N 0.531 120.432 119.914 -0.022 0.000 2.594 442 V HA -0.267 3.853 4.120 0.000 0.000 0.253 442 V C 2.044 178.055 176.094 -0.139 0.000 1.069 442 V CA 1.538 63.794 62.300 -0.074 0.000 1.082 442 V CB -0.877 30.866 31.823 -0.133 0.000 0.680 442 V HN 0.457 nan 8.190 nan 0.000 0.469 443 A N 0.165 122.918 122.820 -0.110 0.000 1.826 443 A HA -0.092 4.228 4.320 0.000 0.000 0.214 443 A C 2.324 179.877 177.584 -0.052 0.000 1.212 443 A CA 2.017 53.968 52.037 -0.144 0.000 0.605 443 A CB -0.710 18.201 19.000 -0.149 0.000 0.861 443 A HN 0.284 nan 8.150 nan 0.000 0.447 444 V N -0.321 119.571 119.914 -0.037 0.000 2.239 444 V HA -0.173 3.947 4.120 0.000 0.000 0.242 444 V C 2.390 178.526 176.094 0.070 0.000 1.038 444 V CA 1.774 64.076 62.300 0.004 0.000 1.002 444 V CB -0.952 30.941 31.823 0.117 0.000 0.641 444 V HN 0.513 nan 8.190 nan 0.000 0.449 445 I N 0.056 120.675 120.570 0.080 0.000 2.194 445 I HA -0.295 3.875 4.170 0.000 0.000 0.246 445 I C 2.441 178.590 176.117 0.054 0.000 1.093 445 I CA 1.878 63.216 61.300 0.063 0.000 1.355 445 I CB -0.645 37.386 38.000 0.051 0.000 1.046 445 I HN 0.558 nan 8.210 nan 0.000 0.413 446 Y N 1.496 121.762 120.300 -0.058 0.000 2.151 446 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 446 Y C 2.275 178.122 175.900 -0.087 0.000 1.166 446 Y CA 1.747 59.806 58.100 -0.069 0.000 1.163 446 Y CB -1.244 37.178 38.460 -0.064 0.000 0.974 446 Y HN 0.152 nan 8.280 nan 0.000 0.511 447 A N 0.889 123.524 122.820 -0.309 0.000 1.978 447 A HA -0.107 4.214 4.320 0.000 0.000 0.220 447 A C 2.467 179.851 177.584 -0.333 0.000 1.170 447 A CA 1.857 53.643 52.037 -0.418 0.000 0.636 447 A CB -1.716 17.195 19.000 -0.147 0.000 0.810 447 A HN 0.686 nan 8.150 nan 0.000 0.448 448 G N -0.917 107.767 108.800 -0.194 0.000 2.424 448 G HA2 -0.091 3.869 3.960 0.000 0.000 0.214 448 G HA3 -0.091 3.869 3.960 0.000 0.000 0.214 448 G C 1.610 176.367 174.900 -0.239 0.000 1.202 448 G CA 1.093 46.101 45.100 -0.153 0.000 0.793 448 G HN 0.622 nan 8.290 nan 0.000 0.534 449 V N 0.611 120.389 119.914 -0.228 0.000 2.453 449 V HA -0.027 4.093 4.120 0.000 0.000 0.252 449 V C 1.717 177.613 176.094 -0.330 0.000 1.068 449 V CA 1.626 63.794 62.300 -0.220 0.000 1.070 449 V CB -0.309 31.423 31.823 -0.151 0.000 0.664 449 V HN 0.289 nan 8.190 nan 0.000 0.461 450 R N 0.677 120.856 120.500 -0.535 0.000 3.657 450 R HA 0.325 4.666 4.340 0.000 0.000 0.220 450 R C 0.860 176.434 176.300 -1.210 0.000 1.548 450 R CA 0.379 55.978 56.100 -0.835 0.000 1.465 450 R CB -0.136 29.589 30.300 -0.959 0.000 1.330 450 R HN 0.554 nan 8.270 nan 0.000 0.707 451 G N 2.205 110.623 108.800 -0.637 0.000 2.711 451 G HA2 -0.227 3.733 3.960 0.000 0.000 0.301 451 G HA3 -0.227 3.733 3.960 0.000 0.000 0.301 451 G C -0.186 174.526 174.900 -0.312 0.000 0.524 451 G CA 0.444 45.309 45.100 -0.392 0.000 1.327 451 G HN 0.587 nan 8.290 nan 0.000 0.244 452 Y N 1.153 121.416 120.300 -0.061 0.000 2.736 452 Y HA 0.200 4.750 4.550 0.000 0.000 0.272 452 Y C 2.258 178.160 175.900 0.003 0.000 1.118 452 Y CA -0.277 57.798 58.100 -0.042 0.000 1.248 452 Y CB -0.622 37.789 38.460 -0.081 0.000 1.437 452 Y HN 0.310 nan 8.280 nan 0.000 0.481 453 L N 0.447 121.768 121.223 0.164 0.000 1.973 453 L HA -0.109 4.232 4.340 0.000 0.000 0.208 453 L C 1.385 178.341 176.870 0.144 0.000 1.073 453 L CA 1.706 56.648 54.840 0.170 0.000 0.746 453 L CB -1.191 40.997 42.059 0.214 0.000 0.891 453 L HN 0.064 nan 8.230 nan 0.000 0.433 454 D N 0.302 120.760 120.400 0.096 0.000 3.145 454 D HA -0.402 4.238 4.640 0.000 0.000 0.573 454 D C 1.795 178.143 176.300 0.079 0.000 0.563 454 D CA 2.423 56.462 54.000 0.065 0.000 1.365 454 D CB -0.955 39.862 40.800 0.029 0.000 0.216 454 D HN 0.482 nan 8.370 nan 0.000 0.201 455 K N 1.164 121.605 120.400 0.068 0.000 2.169 455 K HA -0.269 4.051 4.320 0.000 0.000 0.213 455 K C 1.028 177.672 176.600 0.073 0.000 1.050 455 K CA 1.962 58.287 56.287 0.064 0.000 0.935 455 K CB -1.216 31.320 32.500 0.060 0.000 0.722 455 K HN 0.552 nan 8.250 nan 0.000 0.468 456 L N 2.204 123.489 121.223 0.102 0.000 2.543 456 L HA 0.054 4.394 4.340 0.000 0.000 0.285 456 L C -0.583 176.338 176.870 0.085 0.000 1.236 456 L CA -0.402 54.507 54.840 0.115 0.000 0.871 456 L CB -0.261 41.911 42.059 0.189 0.000 1.121 456 L HN 0.165 nan 8.230 nan 0.000 0.501 457 E N 2.504 122.737 120.200 0.056 0.000 2.406 457 E HA 0.265 4.615 4.350 0.000 0.000 0.258 457 E C -2.166 174.430 176.600 -0.007 0.000 1.043 457 E CA -1.141 55.270 56.400 0.019 0.000 0.929 457 E CB -0.498 29.203 29.700 0.002 0.000 0.969 457 E HN 0.561 nan 8.360 nan 0.000 0.462 458 P HA -0.201 nan 4.420 nan 0.000 0.299 458 P C 0.671 177.891 177.300 -0.133 0.000 1.423 458 P CA 0.608 63.677 63.100 -0.051 0.000 0.867 458 P CB 0.084 31.769 31.700 -0.026 0.000 1.610 459 S N -2.366 113.252 115.700 -0.137 0.000 1.694 459 S HA -0.309 4.161 4.470 0.000 0.000 0.236 459 S C 1.474 175.904 174.600 -0.283 0.000 0.821 459 S CA 2.038 60.135 58.200 -0.172 0.000 1.530 459 S CB -2.224 60.886 63.200 -0.150 0.000 1.703 459 S HN 0.467 nan 8.310 nan 0.000 0.517 460 K N 1.512 121.667 120.400 -0.409 0.000 2.574 460 K HA 0.123 4.444 4.320 0.000 0.000 0.193 460 K C 1.868 177.866 176.600 -1.004 0.000 1.035 460 K CA 1.095 56.975 56.287 -0.677 0.000 0.982 460 K CB -0.300 31.680 32.500 -0.866 0.000 0.795 460 K HN 0.661 nan 8.250 nan 0.000 0.491 461 I N 0.675 120.809 120.570 -0.727 0.000 2.208 461 I HA -0.290 3.880 4.170 0.000 0.000 0.245 461 I C 2.002 177.893 176.117 -0.377 0.000 1.097 461 I CA 1.318 62.246 61.300 -0.620 0.000 1.363 461 I CB -0.898 37.026 38.000 -0.127 0.000 1.051 461 I HN 0.106 nan 8.210 nan 0.000 0.413 462 T N 1.002 115.404 114.554 -0.254 0.000 2.759 462 T HA -0.171 4.179 4.350 0.000 0.000 0.269 462 T C 1.839 176.478 174.700 -0.102 0.000 1.042 462 T CA 1.303 63.334 62.100 -0.114 0.000 1.140 462 T CB -0.200 68.610 68.868 -0.097 0.000 0.864 462 T HN 0.374 nan 8.240 nan 0.000 0.455 463 K N 0.255 120.507 120.400 -0.246 0.000 2.103 463 K HA -0.076 4.244 4.320 0.000 0.000 0.207 463 K C 1.892 178.550 176.600 0.096 0.000 1.048 463 K CA 1.189 57.402 56.287 -0.123 0.000 0.930 463 K CB -0.288 32.053 32.500 -0.265 0.000 0.716 463 K HN 0.292 nan 8.250 nan 0.000 0.444 464 F N 1.411 121.374 119.950 0.022 0.000 2.039 464 F HA -0.102 4.425 4.527 0.000 0.000 0.294 464 F C 2.283 178.123 175.800 0.066 0.000 1.130 464 F CA 0.852 58.787 58.000 -0.107 0.000 1.189 464 F CB -1.151 37.762 39.000 -0.146 0.000 0.983 464 F HN 0.080 nan 8.300 nan 0.000 0.471 465 E N -0.149 120.269 120.200 0.364 0.000 2.393 465 E HA -0.157 4.193 4.350 0.000 0.000 0.201 465 E C 1.756 178.489 176.600 0.221 0.000 1.025 465 E CA 1.149 57.729 56.400 0.301 0.000 0.856 465 E CB 0.049 29.870 29.700 0.202 0.000 0.771 465 E HN 0.318 nan 8.360 nan 0.000 0.526 466 S N -0.665 115.150 115.700 0.192 0.000 2.517 466 S HA 0.140 4.611 4.470 0.000 0.000 0.228 466 S C 1.876 176.595 174.600 0.197 0.000 1.060 466 S CA 0.314 58.609 58.200 0.158 0.000 0.937 466 S CB 0.137 63.403 63.200 0.110 0.000 0.840 466 S HN 0.390 nan 8.310 nan 0.000 0.546 467 A N 1.608 124.568 122.820 0.233 0.000 1.873 467 A HA 0.019 4.340 4.320 0.000 0.000 0.215 467 A C 1.755 179.541 177.584 0.337 0.000 1.186 467 A CA 1.221 53.431 52.037 0.287 0.000 0.616 467 A CB -1.071 18.145 19.000 0.360 0.000 0.823 467 A HN 0.357 nan 8.150 nan 0.000 0.442 468 F N 0.570 120.630 119.950 0.184 0.000 2.106 468 F HA -0.270 4.257 4.527 0.000 0.000 0.299 468 F C 2.152 177.971 175.800 0.033 0.000 1.082 468 F CA 1.431 59.393 58.000 -0.063 0.000 1.244 468 F CB -0.828 38.092 39.000 -0.133 0.000 0.997 468 F HN 0.140 nan 8.300 nan 0.000 0.486 469 L N -1.401 119.992 121.223 0.285 0.000 1.994 469 L HA -0.232 4.108 4.340 0.000 0.000 0.208 469 L C 2.422 179.400 176.870 0.180 0.000 1.071 469 L CA 1.631 56.581 54.840 0.182 0.000 0.745 469 L CB -1.236 40.913 42.059 0.150 0.000 0.892 469 L HN -0.026 nan 8.230 nan 0.000 0.431 470 S N -1.466 114.352 115.700 0.197 0.000 2.383 470 S HA -0.217 4.253 4.470 0.000 0.000 0.229 470 S C 1.970 176.684 174.600 0.189 0.000 1.030 470 S CA 0.974 59.273 58.200 0.166 0.000 1.002 470 S CB -0.545 62.750 63.200 0.158 0.000 0.829 470 S HN 0.416 nan 8.310 nan 0.000 0.467 471 H N 0.837 120.005 119.070 0.163 0.000 2.387 471 H HA -0.022 4.534 4.556 0.000 0.000 0.299 471 H C 2.110 177.558 175.328 0.200 0.000 1.090 471 H CA 1.499 57.656 56.048 0.182 0.000 1.332 471 H CB -0.237 29.632 29.762 0.178 0.000 1.386 471 H HN 0.205 nan 8.280 nan 0.000 0.516 472 V N 0.894 120.972 119.914 0.272 0.000 2.221 472 V HA -0.243 3.877 4.120 0.000 0.000 0.240 472 V C 2.925 179.131 176.094 0.188 0.000 1.041 472 V CA 1.846 64.269 62.300 0.205 0.000 0.991 472 V CB -0.860 31.017 31.823 0.089 0.000 0.634 472 V HN 0.473 nan 8.190 nan 0.000 0.450 473 V N 0.214 120.203 119.914 0.124 0.000 2.794 473 V HA -0.177 3.943 4.120 0.000 0.000 0.260 473 V C 2.249 178.383 176.094 0.067 0.000 1.103 473 V CA 2.241 64.591 62.300 0.083 0.000 1.125 473 V CB -1.295 30.568 31.823 0.067 0.000 0.702 473 V HN 0.663 nan 8.190 nan 0.000 0.494 474 S N -0.292 115.456 115.700 0.080 0.000 2.439 474 S HA 0.063 4.534 4.470 0.000 0.000 0.224 474 S C 1.554 176.157 174.600 0.006 0.000 1.029 474 S CA 0.680 58.899 58.200 0.032 0.000 0.946 474 S CB -0.109 63.094 63.200 0.004 0.000 0.797 474 S HN 0.702 nan 8.310 nan 0.000 0.504 475 Q N -0.593 119.235 119.800 0.048 0.000 1.950 475 Q HA 0.254 4.594 4.340 0.000 0.000 0.207 475 Q C -1.252 174.517 176.000 -0.384 0.000 0.813 475 Q CA -0.082 55.651 55.803 -0.116 0.000 0.989 475 Q CB 0.878 29.527 28.738 -0.147 0.000 1.241 475 Q HN 0.676 nan 8.270 nan 0.000 0.418 476 H N -0.744 118.339 119.070 0.021 0.000 2.946 476 H HA 0.111 4.667 4.556 0.000 0.000 0.217 476 H C 0.268 175.594 175.328 -0.003 0.000 1.393 476 H CA -0.118 55.937 56.048 0.011 0.000 1.306 476 H CB 0.693 30.467 29.762 0.020 0.000 2.062 476 H HN -0.022 nan 8.280 nan 0.000 0.520 477 Q N 0.694 120.523 119.800 0.049 0.000 2.432 477 Q HA 0.135 4.475 4.340 0.000 0.000 0.205 477 Q C 2.124 178.130 176.000 0.011 0.000 0.945 477 Q CA 1.273 57.093 55.803 0.029 0.000 0.924 477 Q CB 0.299 29.044 28.738 0.011 0.000 1.016 477 Q HN 0.674 nan 8.270 nan 0.000 0.503 478 S N 0.011 115.714 115.700 0.005 0.000 2.335 478 S HA -0.099 4.371 4.470 0.000 0.000 0.217 478 S C 1.614 176.209 174.600 -0.009 0.000 1.032 478 S CA 1.344 59.540 58.200 -0.008 0.000 0.985 478 S CB -0.519 62.672 63.200 -0.015 0.000 0.896 478 S HN 0.244 nan 8.310 nan 0.000 0.445 479 L N 1.466 122.690 121.223 0.002 0.000 2.011 479 L HA -0.261 4.079 4.340 0.000 0.000 0.225 479 L C 2.552 179.391 176.870 -0.052 0.000 1.084 479 L CA 2.147 56.971 54.840 -0.027 0.000 0.791 479 L CB -1.363 40.682 42.059 -0.024 0.000 0.898 479 L HN 0.695 nan 8.230 nan 0.000 0.440 480 L N -1.873 119.327 121.223 -0.039 0.000 2.079 480 L HA -0.007 4.333 4.340 0.000 0.000 0.210 480 L C 2.414 179.260 176.870 -0.040 0.000 1.081 480 L CA 2.132 56.946 54.840 -0.044 0.000 0.752 480 L CB -2.021 40.024 42.059 -0.023 0.000 0.896 480 L HN 0.149 nan 8.230 nan 0.000 0.433 481 G N -0.221 108.561 108.800 -0.030 0.000 2.432 481 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 481 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 481 G C 1.566 176.444 174.900 -0.036 0.000 1.135 481 G CA 0.803 45.885 45.100 -0.031 0.000 0.767 481 G HN 0.586 nan 8.290 nan 0.000 0.550 482 N N 0.529 119.205 118.700 -0.041 0.000 2.205 482 N HA -0.107 4.633 4.740 0.000 0.000 0.186 482 N C 2.029 177.511 175.510 -0.047 0.000 1.015 482 N CA 0.719 53.743 53.050 -0.043 0.000 0.862 482 N CB -0.092 38.365 38.487 -0.050 0.000 0.986 482 N HN 0.170 nan 8.380 nan 0.000 0.429 483 I N 1.329 121.867 120.570 -0.053 0.000 2.315 483 I HA -0.155 4.015 4.170 0.000 0.000 0.248 483 I C 1.860 177.952 176.117 -0.041 0.000 1.117 483 I CA 0.963 62.233 61.300 -0.051 0.000 1.404 483 I CB -0.647 37.321 38.000 -0.054 0.000 1.071 483 I HN 0.150 nan 8.210 nan 0.000 0.419 484 R N 0.063 120.538 120.500 -0.041 0.000 2.313 484 R HA -0.021 4.319 4.340 0.000 0.000 0.199 484 R C 1.872 178.148 176.300 -0.040 0.000 0.958 484 R CA 1.154 57.227 56.100 -0.044 0.000 1.047 484 R CB -0.064 30.208 30.300 -0.047 0.000 0.955 484 R HN 0.526 nan 8.270 nan 0.000 0.481 485 T N -2.415 112.118 114.554 -0.035 0.000 3.234 485 T HA -0.001 4.349 4.350 0.000 0.000 0.235 485 T C 1.571 176.255 174.700 -0.027 0.000 0.971 485 T CA 0.303 62.384 62.100 -0.030 0.000 1.292 485 T CB -0.171 68.680 68.868 -0.028 0.000 0.994 485 T HN -0.099 nan 8.240 nan 0.000 0.412 486 D N 1.965 122.349 120.400 -0.027 0.000 2.144 486 D HA 0.114 4.754 4.640 0.000 0.000 0.207 486 D C 1.465 177.751 176.300 -0.023 0.000 0.970 486 D CA 1.757 55.743 54.000 -0.023 0.000 0.853 486 D CB -0.165 40.621 40.800 -0.024 0.000 1.007 486 D HN 0.783 nan 8.370 nan 0.000 0.469 487 G N 1.269 110.052 108.800 -0.029 0.000 2.392 487 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 487 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 487 G C 0.095 174.980 174.900 -0.024 0.000 1.097 487 G CA 0.531 45.615 45.100 -0.026 0.000 0.840 487 G HN 0.552 nan 8.290 nan 0.000 0.492 488 K N -1.268 119.112 120.400 -0.034 0.000 2.842 488 K HA 0.457 4.777 4.320 0.000 0.000 0.293 488 K C -0.738 175.827 176.600 -0.058 0.000 1.068 488 K CA -1.137 55.130 56.287 -0.034 0.000 0.827 488 K CB 0.814 33.303 32.500 -0.018 0.000 1.524 488 K HN 0.192 nan 8.250 nan 0.000 0.368 489 I N 1.816 122.349 120.570 -0.062 0.000 2.416 489 I HA 0.135 4.305 4.170 0.000 0.000 0.288 489 I C 0.638 176.725 176.117 -0.049 0.000 1.051 489 I CA -0.180 61.056 61.300 -0.107 0.000 1.375 489 I CB 1.466 39.391 38.000 -0.126 0.000 1.407 489 I HN 0.400 nan 8.210 nan 0.000 0.516 490 S N 4.582 120.247 115.700 -0.058 0.000 2.603 490 S HA 0.112 4.582 4.470 0.000 0.000 0.268 490 S C 1.286 175.887 174.600 0.001 0.000 1.317 490 S CA -0.533 57.652 58.200 -0.025 0.000 1.012 490 S CB 0.837 64.018 63.200 -0.031 0.000 0.926 490 S HN 0.628 nan 8.310 nan 0.000 0.539 491 E N 2.095 122.301 120.200 0.009 0.000 2.106 491 E HA -0.131 4.219 4.350 0.000 0.000 0.192 491 E C 1.957 178.569 176.600 0.019 0.000 0.984 491 E CA 1.022 57.435 56.400 0.022 0.000 0.806 491 E CB -0.243 29.467 29.700 0.016 0.000 0.750 491 E HN 0.668 nan 8.360 nan 0.000 0.458 492 Q N 0.894 120.697 119.800 0.006 0.000 1.990 492 Q HA -0.034 4.307 4.340 0.000 0.000 0.200 492 Q C 2.437 178.438 176.000 0.001 0.000 0.980 492 Q CA 1.086 56.890 55.803 0.002 0.000 0.832 492 Q CB -0.417 28.318 28.738 -0.005 0.000 0.897 492 Q HN 0.142 nan 8.270 nan 0.000 0.427 493 S N 1.607 117.298 115.700 -0.014 0.000 2.400 493 S HA -0.188 4.282 4.470 0.000 0.000 0.232 493 S C 1.595 176.187 174.600 -0.013 0.000 1.025 493 S CA 1.585 59.765 58.200 -0.033 0.000 0.993 493 S CB -0.354 62.799 63.200 -0.079 0.000 0.808 493 S HN 0.422 nan 8.310 nan 0.000 0.478 494 D N 1.589 122.008 120.400 0.032 0.000 2.097 494 D HA -0.077 4.563 4.640 0.000 0.000 0.195 494 D C 1.982 178.350 176.300 0.113 0.000 0.989 494 D CA 1.374 55.468 54.000 0.157 0.000 0.827 494 D CB -0.374 40.538 40.800 0.187 0.000 0.966 494 D HN 0.296 nan 8.370 nan 0.000 0.456 495 A N 0.621 123.470 122.820 0.049 0.000 1.883 495 A HA -0.221 4.099 4.320 0.000 0.000 0.217 495 A C 2.140 179.726 177.584 0.003 0.000 1.186 495 A CA 1.807 53.851 52.037 0.013 0.000 0.624 495 A CB -0.491 18.513 19.000 0.006 0.000 0.822 495 A HN 0.160 nan 8.150 nan 0.000 0.444 496 K N -0.189 120.220 120.400 0.015 0.000 2.002 496 K HA -0.047 4.274 4.320 0.000 0.000 0.209 496 K C 1.976 178.581 176.600 0.008 0.000 1.048 496 K CA 1.257 57.559 56.287 0.024 0.000 0.930 496 K CB -0.975 31.547 32.500 0.038 0.000 0.714 496 K HN 0.504 nan 8.250 nan 0.000 0.438 497 L N 1.543 122.766 121.223 -0.000 0.000 2.079 497 L HA -0.189 4.152 4.340 0.000 0.000 0.210 497 L C 2.801 179.650 176.870 -0.035 0.000 1.081 497 L CA 1.355 56.174 54.840 -0.034 0.000 0.752 497 L CB -0.351 41.752 42.059 0.073 0.000 0.896 497 L HN 0.258 nan 8.230 nan 0.000 0.433 498 K N 0.405 120.800 120.400 -0.008 0.000 2.032 498 K HA -0.248 4.072 4.320 0.000 0.000 0.209 498 K C 1.830 178.341 176.600 -0.149 0.000 1.048 498 K CA 1.806 58.001 56.287 -0.152 0.000 0.927 498 K CB 0.009 32.387 32.500 -0.203 0.000 0.712 498 K HN 0.154 nan 8.250 nan 0.000 0.441 499 E N 0.097 120.249 120.200 -0.081 0.000 2.463 499 E HA -0.124 4.226 4.350 0.000 0.000 0.201 499 E C 1.334 177.923 176.600 -0.019 0.000 1.045 499 E CA 0.487 56.861 56.400 -0.042 0.000 0.872 499 E CB 0.123 29.822 29.700 -0.003 0.000 0.797 499 E HN 0.280 nan 8.360 nan 0.000 0.538 500 I N -1.220 119.307 120.570 -0.072 0.000 3.172 500 I HA -0.087 4.083 4.170 0.000 0.000 0.278 500 I C 1.810 177.841 176.117 -0.143 0.000 1.174 500 I CA 0.226 61.451 61.300 -0.125 0.000 1.445 500 I CB 0.276 38.080 38.000 -0.327 0.000 1.175 500 I HN 0.056 nan 8.210 nan 0.000 0.447 501 V N -1.739 118.080 119.914 -0.159 0.000 2.488 501 V HA -0.109 4.011 4.120 0.000 0.000 0.246 501 V C 2.369 178.493 176.094 0.049 0.000 1.046 501 V CA 1.834 64.112 62.300 -0.037 0.000 1.053 501 V CB -2.155 29.624 31.823 -0.073 0.000 0.679 501 V HN 0.491 nan 8.190 nan 0.000 0.458 502 T N -0.724 113.816 114.554 -0.023 0.000 2.720 502 T HA -0.215 4.135 4.350 0.000 0.000 0.268 502 T C 1.805 176.530 174.700 0.042 0.000 1.037 502 T CA 1.888 63.978 62.100 -0.017 0.000 1.144 502 T CB -0.882 67.935 68.868 -0.085 0.000 0.864 502 T HN 0.474 nan 8.240 nan 0.000 0.444 503 N N 0.858 119.600 118.700 0.070 0.000 2.223 503 N HA 0.008 4.748 4.740 0.000 0.000 0.185 503 N C 1.285 176.891 175.510 0.160 0.000 1.016 503 N CA 0.771 53.888 53.050 0.111 0.000 0.863 503 N CB -0.586 37.990 38.487 0.147 0.000 0.983 503 N HN 0.364 nan 8.380 nan 0.000 0.429 504 F N 1.254 121.129 119.950 -0.125 0.000 2.456 504 F HA 0.131 4.659 4.527 0.000 0.000 0.298 504 F C 2.031 177.735 175.800 -0.159 0.000 1.104 504 F CA 0.108 57.954 58.000 -0.256 0.000 1.435 504 F CB -0.418 38.248 39.000 -0.556 0.000 1.078 504 F HN -0.032 nan 8.300 nan 0.000 0.546 505 L N -0.708 120.560 121.223 0.074 0.000 1.989 505 L HA -0.178 4.162 4.340 0.000 0.000 0.211 505 L C 2.284 179.201 176.870 0.079 0.000 1.071 505 L CA 1.557 56.450 54.840 0.089 0.000 0.749 505 L CB -1.161 40.944 42.059 0.077 0.000 0.890 505 L HN 0.063 nan 8.230 nan 0.000 0.431 506 A N -0.117 122.724 122.820 0.034 0.000 2.370 506 A HA 0.280 4.600 4.320 0.000 0.000 0.238 506 A C 1.965 179.506 177.584 -0.071 0.000 1.289 506 A CA 0.548 52.589 52.037 0.007 0.000 0.885 506 A CB -0.604 18.399 19.000 0.005 0.000 0.961 506 A HN 0.406 nan 8.150 nan 0.000 0.499 507 G N -1.622 107.084 108.800 -0.157 0.000 2.511 507 G HA2 0.109 4.069 3.960 0.000 0.000 0.217 507 G HA3 0.109 4.069 3.960 0.000 0.000 0.217 507 G C 0.565 175.072 174.900 -0.655 0.000 1.133 507 G CA 0.739 45.552 45.100 -0.478 0.000 0.792 507 G HN 0.448 nan 8.290 nan 0.000 0.539 508 F N -0.413 119.479 119.950 -0.096 0.000 2.859 508 F HA 0.358 4.886 4.527 0.000 0.000 0.324 508 F C 0.244 176.034 175.800 -0.016 0.000 1.158 508 F CA -0.876 57.094 58.000 -0.049 0.000 1.147 508 F CB 0.961 39.952 39.000 -0.014 0.000 1.137 508 F HN 0.041 nan 8.300 nan 0.000 0.516 509 E N 3.327 123.591 120.200 0.106 0.000 2.129 509 E HA 0.362 4.713 4.350 0.000 0.000 0.268 509 E C -2.459 174.163 176.600 0.036 0.000 0.900 509 E CA -1.944 54.503 56.400 0.078 0.000 0.755 509 E CB 1.750 31.494 29.700 0.073 0.000 1.117 509 E HN -0.022 nan 8.360 nan 0.000 0.410 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.112 63.100 0.020 0.000 0.800 510 P CB 0.000 31.714 31.700 0.023 0.000 0.726