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 2qe0_1_C DATA FIRST_RESID 2 DATA SEQUENCE TKQYKNYVNG EWKLSENEIK IYEPASGAEL GSVPAMSTEE VDYVYASAKK DATA SEQUENCE AQPAWRALSY IERAAYLHKV ADILMRDKEK IGAILSKEVA KGYKSAVSEV DATA SEQUENCE VRTAEIINYA AEEGLRMEGE VLEGGSFEAA SKKKIAVVRR EPVGLVLAIS DATA SEQUENCE PFNYPVNLAG SKIAPALIAG NVIAFKPPTQ GSISGLLLAE AFAEAGLPAG DATA SEQUENCE VFNTITGRGS EIGDYIVEHQ AVNFINFTGS TGIGERIGKM AGMRPIMLAL DATA SEQUENCE GGKDSAIVLE DADLELTAKN IIAGAFGYSG QRCTAVKRVL VMESVADELV DATA SEQUENCE EKIREKVLAL TIGNPEDDAD ITPLIDTKSA DYVEGLINDA NDKGATALTE DATA SEQUENCE IKREGNLICP ILFDKVTTDM RLAWEEPFGP VLPIIRVTSV EEAIEISNKS DATA SEQUENCE EYGLQASIFT NDFPRAFGIA EQLEVGTVHI NNKTQRGTDN FPFLGAKKSG DATA SEQUENCE AGIQGVKYSI EAMTTVKSVV FDIK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.678 174.700 -0.036 0.000 1.109 2 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 2 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 3 K N 2.355 122.732 120.400 -0.039 0.000 2.294 3 K HA 0.129 4.449 4.320 -0.000 0.000 0.288 3 K C -0.285 176.257 176.600 -0.097 0.000 1.072 3 K CA -0.078 56.153 56.287 -0.094 0.000 0.960 3 K CB 0.245 32.699 32.500 -0.076 0.000 1.043 3 K HN 0.602 nan 8.250 nan 0.000 0.455 4 Q N 3.863 123.580 119.800 -0.138 0.000 2.377 4 Q HA 0.135 4.475 4.340 -0.000 0.000 0.249 4 Q C -0.982 174.935 176.000 -0.137 0.000 1.005 4 Q CA -0.392 55.370 55.803 -0.068 0.000 0.912 4 Q CB 0.604 29.319 28.738 -0.039 0.000 1.223 4 Q HN 0.421 nan 8.270 nan 0.000 0.459 5 Y N 1.474 121.761 120.300 -0.023 0.000 2.301 5 Y HA 0.220 4.770 4.550 -0.000 0.000 0.328 5 Y C 0.536 176.462 175.900 0.043 0.000 1.242 5 Y CA -0.006 58.087 58.100 -0.012 0.000 1.323 5 Y CB 0.892 39.354 38.460 0.003 0.000 1.266 5 Y HN 0.283 nan 8.280 nan 0.000 0.527 6 K N 1.653 122.208 120.400 0.258 0.000 2.328 6 K HA 0.344 4.664 4.320 -0.000 0.000 0.246 6 K C -1.006 175.895 176.600 0.502 0.000 0.955 6 K CA -1.212 55.268 56.287 0.322 0.000 0.817 6 K CB 1.478 34.185 32.500 0.346 0.000 1.208 6 K HN 0.564 nan 8.250 nan 0.000 0.432 7 N N 0.992 119.901 118.700 0.349 0.000 2.483 7 N HA 0.074 4.814 4.740 -0.000 0.000 0.269 7 N C -1.087 174.582 175.510 0.265 0.000 1.209 7 N CA -0.022 53.194 53.050 0.276 0.000 0.969 7 N CB 0.455 38.995 38.487 0.088 0.000 1.173 7 N HN 0.433 nan 8.380 nan 0.000 0.475 8 Y N 1.384 121.609 120.300 -0.125 0.000 2.385 8 Y HA 0.363 4.913 4.550 -0.000 0.000 0.341 8 Y C -0.858 174.849 175.900 -0.321 0.000 0.965 8 Y CA -0.619 57.165 58.100 -0.527 0.000 1.180 8 Y CB 0.409 38.459 38.460 -0.683 0.000 1.139 8 Y HN 0.084 nan 8.280 nan 0.000 0.502 9 V N 5.856 125.388 119.914 -0.637 0.000 2.524 9 V HA 0.209 4.329 4.120 -0.000 0.000 0.297 9 V C -0.144 175.691 176.094 -0.431 0.000 1.035 9 V CA -1.387 60.662 62.300 -0.419 0.000 0.867 9 V CB 1.431 33.176 31.823 -0.131 0.000 1.004 9 V HN 0.803 nan 8.190 nan 0.000 0.426 10 N N 3.677 122.116 118.700 -0.435 0.000 2.714 10 N HA -0.201 4.539 4.740 -0.000 0.000 0.252 10 N C 1.145 176.431 175.510 -0.373 0.000 1.014 10 N CA 1.916 54.767 53.050 -0.331 0.000 0.735 10 N CB -0.939 37.448 38.487 -0.166 0.000 0.924 10 N HN 1.777 nan 8.380 nan 0.000 0.540 11 G N -1.356 107.037 108.800 -0.679 0.000 2.168 11 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 11 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 11 G C -0.117 174.554 174.900 -0.381 0.000 0.977 11 G CA 0.839 45.638 45.100 -0.500 0.000 0.659 11 G HN 0.655 nan 8.290 nan 0.000 0.533 12 E N -1.738 118.159 120.200 -0.506 0.000 2.336 12 E HA 0.566 4.916 4.350 -0.000 0.000 0.267 12 E C -0.939 175.517 176.600 -0.239 0.000 0.906 12 E CA -1.127 55.149 56.400 -0.206 0.000 0.781 12 E CB 1.176 30.835 29.700 -0.069 0.000 1.261 12 E HN 0.254 nan 8.360 nan 0.000 0.436 13 W N 1.933 123.316 121.300 0.140 0.000 2.316 13 W HA 0.336 4.996 4.660 -0.000 0.000 0.308 13 W C -0.139 176.420 176.519 0.065 0.000 1.106 13 W CA -0.483 56.955 57.345 0.155 0.000 1.262 13 W CB 0.845 30.404 29.460 0.164 0.000 1.233 13 W HN 0.043 nan 8.180 nan 0.000 0.447 14 K N 4.213 124.765 120.400 0.253 0.000 2.345 14 K HA 0.564 4.884 4.320 -0.000 0.000 0.255 14 K C -0.608 176.064 176.600 0.120 0.000 0.934 14 K CA -0.944 55.418 56.287 0.125 0.000 0.801 14 K CB 2.177 34.693 32.500 0.026 0.000 1.137 14 K HN 0.319 nan 8.250 nan 0.000 0.424 15 L N 1.065 122.334 121.223 0.077 0.000 2.416 15 L HA 0.362 4.702 4.340 -0.000 0.000 0.262 15 L C 0.220 177.103 176.870 0.022 0.000 1.093 15 L CA -0.362 54.512 54.840 0.056 0.000 0.801 15 L CB 1.711 43.791 42.059 0.036 0.000 1.191 15 L HN 0.633 nan 8.230 nan 0.000 0.459 16 S N -0.561 115.149 115.700 0.015 0.000 2.704 16 S HA 0.158 4.628 4.470 -0.000 0.000 0.305 16 S C 0.580 175.175 174.600 -0.008 0.000 1.107 16 S CA -0.615 57.581 58.200 -0.006 0.000 0.993 16 S CB 1.876 65.071 63.200 -0.008 0.000 1.110 16 S HN 0.638 nan 8.310 nan 0.000 0.534 17 E N 1.247 121.437 120.200 -0.017 0.000 2.110 17 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 17 E C 0.019 176.613 176.600 -0.009 0.000 0.988 17 E CA 1.341 57.732 56.400 -0.016 0.000 0.804 17 E CB 0.173 29.860 29.700 -0.022 0.000 0.745 17 E HN 0.434 nan 8.360 nan 0.000 0.458 18 N N 0.416 119.110 118.700 -0.009 0.000 2.459 18 N HA 0.218 4.958 4.740 -0.000 0.000 0.288 18 N C -0.735 174.777 175.510 0.004 0.000 1.186 18 N CA -0.359 52.689 53.050 -0.003 0.000 0.917 18 N CB 1.612 40.096 38.487 -0.006 0.000 1.219 18 N HN 0.234 nan 8.380 nan 0.000 0.525 19 E N -0.235 119.970 120.200 0.009 0.000 2.429 19 E HA 0.595 4.945 4.350 -0.000 0.000 0.276 19 E C -1.322 175.287 176.600 0.015 0.000 0.953 19 E CA -0.731 55.678 56.400 0.014 0.000 0.787 19 E CB 1.509 31.219 29.700 0.017 0.000 1.307 19 E HN 0.370 nan 8.360 nan 0.000 0.458 20 I N 1.348 121.926 120.570 0.013 0.000 2.418 20 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 20 I C -0.323 175.785 176.117 -0.014 0.000 1.008 20 I CA -0.912 60.396 61.300 0.012 0.000 1.104 20 I CB 1.870 39.879 38.000 0.015 0.000 1.264 20 I HN 0.324 nan 8.210 nan 0.000 0.438 21 K N 5.788 126.172 120.400 -0.028 0.000 2.249 21 K HA 0.513 4.833 4.320 -0.000 0.000 0.280 21 K C -0.925 175.508 176.600 -0.277 0.000 1.033 21 K CA -0.510 55.675 56.287 -0.170 0.000 0.946 21 K CB 1.258 33.650 32.500 -0.179 0.000 1.005 21 K HN 0.320 nan 8.250 nan 0.000 0.469 22 I N 3.330 123.665 120.570 -0.391 0.000 2.433 22 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 22 I C -0.849 174.993 176.117 -0.457 0.000 1.001 22 I CA -0.488 60.647 61.300 -0.275 0.000 1.119 22 I CB 0.963 38.890 38.000 -0.122 0.000 1.289 22 I HN 0.410 nan 8.210 nan 0.000 0.438 23 Y N 2.820 123.130 120.300 0.018 0.000 2.524 23 Y HA 0.493 5.043 4.550 -0.000 0.000 0.344 23 Y C 0.118 176.030 175.900 0.019 0.000 1.012 23 Y CA -1.077 57.035 58.100 0.019 0.000 1.068 23 Y CB 1.142 39.611 38.460 0.015 0.000 1.249 23 Y HN 0.439 nan 8.280 nan 0.000 0.468 24 E N 3.545 123.853 120.200 0.180 0.000 2.324 24 E HA 0.072 4.422 4.350 -0.000 0.000 0.271 24 E C -1.931 174.733 176.600 0.105 0.000 1.028 24 E CA -1.484 54.985 56.400 0.114 0.000 0.890 24 E CB 0.698 30.454 29.700 0.093 0.000 1.004 24 E HN 0.419 nan 8.360 nan 0.000 0.431 25 P HA -0.176 nan 4.420 nan 0.000 0.218 25 P C 0.866 178.194 177.300 0.045 0.000 1.149 25 P CA 1.136 64.268 63.100 0.053 0.000 0.817 25 P CB 0.298 32.022 31.700 0.040 0.000 0.785 26 A N -0.396 122.458 122.820 0.056 0.000 1.935 26 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 26 A C 2.283 179.891 177.584 0.039 0.000 1.178 26 A CA 1.907 53.972 52.037 0.047 0.000 0.640 26 A CB -1.138 17.894 19.000 0.054 0.000 0.825 26 A HN 0.308 nan 8.150 nan 0.000 0.447 27 S N -2.738 112.991 115.700 0.048 0.000 2.497 27 S HA 0.393 4.863 4.470 -0.000 0.000 0.221 27 S C 1.548 176.174 174.600 0.043 0.000 1.037 27 S CA 1.264 59.490 58.200 0.043 0.000 0.920 27 S CB 0.138 63.366 63.200 0.047 0.000 0.800 27 S HN 1.875 nan 8.310 nan 0.000 0.505 28 G N 1.224 110.060 108.800 0.061 0.000 2.199 28 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.254 28 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.254 28 G C 0.340 175.320 174.900 0.134 0.000 0.982 28 G CA 0.056 45.189 45.100 0.054 0.000 0.632 28 G HN 1.397 nan 8.290 nan 0.000 0.529 29 A N 0.399 123.301 122.820 0.136 0.000 2.511 29 A HA 0.525 4.845 4.320 -0.000 0.000 0.242 29 A C 0.583 178.305 177.584 0.230 0.000 1.069 29 A CA 0.870 53.002 52.037 0.157 0.000 0.763 29 A CB 0.225 19.281 19.000 0.093 0.000 1.001 29 A HN 0.814 nan 8.150 nan 0.000 0.498 30 E N 1.786 122.130 120.200 0.240 0.000 2.415 30 E HA 0.155 4.505 4.350 -0.000 0.000 0.263 30 E C 0.206 176.793 176.600 -0.022 0.000 0.995 30 E CA -0.139 56.286 56.400 0.041 0.000 0.915 30 E CB 0.341 30.046 29.700 0.007 0.000 0.951 30 E HN 0.706 nan 8.360 nan 0.000 0.449 31 L N 3.439 124.603 121.223 -0.098 0.000 2.470 31 L HA 0.349 4.689 4.340 -0.000 0.000 0.219 31 L C 0.875 177.760 176.870 0.025 0.000 1.071 31 L CA 0.804 55.632 54.840 -0.020 0.000 0.850 31 L CB 0.284 42.329 42.059 -0.024 0.000 1.040 31 L HN 0.845 nan 8.230 nan 0.000 0.475 32 G N -0.699 108.081 108.800 -0.035 0.000 2.350 32 G HA2 0.111 4.071 3.960 -0.000 0.000 0.282 32 G HA3 0.111 4.071 3.960 -0.000 0.000 0.282 32 G C -1.390 173.514 174.900 0.006 0.000 1.314 32 G CA 0.002 45.149 45.100 0.077 0.000 0.915 32 G HN 0.116 nan 8.290 nan 0.000 0.499 33 S N -1.690 114.075 115.700 0.108 0.000 2.599 33 S HA 0.910 5.380 4.470 -0.000 0.000 0.287 33 S C -0.371 174.303 174.600 0.124 0.000 1.105 33 S CA 0.057 58.285 58.200 0.047 0.000 0.899 33 S CB 1.683 64.892 63.200 0.014 0.000 1.100 33 S HN 2.288 nan 8.310 nan 0.000 0.482 34 V N -2.282 117.669 119.914 0.062 0.000 2.914 34 V HA 0.813 4.933 4.120 -0.000 0.000 0.314 34 V C -3.267 172.858 176.094 0.051 0.000 1.084 34 V CA -2.958 59.387 62.300 0.075 0.000 0.963 34 V CB 1.145 32.983 31.823 0.026 0.000 1.025 34 V HN 0.733 nan 8.190 nan 0.000 0.432 35 P HA 0.405 nan 4.420 nan 0.000 0.271 35 P C -0.596 176.711 177.300 0.012 0.000 1.216 35 P CA 0.109 63.230 63.100 0.034 0.000 0.776 35 P CB 0.892 32.617 31.700 0.042 0.000 0.881 36 A N 4.440 127.262 122.820 0.003 0.000 2.736 36 A HA 0.368 4.688 4.320 -0.000 0.000 0.335 36 A C 0.331 177.904 177.584 -0.020 0.000 1.446 36 A CA -0.525 51.508 52.037 -0.006 0.000 1.028 36 A CB -0.758 18.240 19.000 -0.003 0.000 1.154 36 A HN 0.478 nan 8.150 nan 0.000 0.507 37 M N 1.933 121.516 119.600 -0.028 0.000 2.252 37 M HA 0.091 4.571 4.480 -0.000 0.000 0.329 37 M C 1.129 177.392 176.300 -0.062 0.000 1.101 37 M CA 0.354 55.627 55.300 -0.045 0.000 1.117 37 M CB 0.683 33.248 32.600 -0.058 0.000 1.563 37 M HN 0.808 nan 8.290 nan 0.000 0.445 38 S N 0.117 115.771 115.700 -0.077 0.000 2.693 38 S HA 0.266 4.736 4.470 -0.000 0.000 0.276 38 S C 1.161 175.667 174.600 -0.157 0.000 1.192 38 S CA -0.247 57.889 58.200 -0.106 0.000 0.994 38 S CB 1.241 64.388 63.200 -0.090 0.000 1.012 38 S HN 0.834 nan 8.310 nan 0.000 0.550 39 T N -1.252 113.142 114.554 -0.267 0.000 2.881 39 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 39 T C 1.160 175.740 174.700 -0.200 0.000 1.068 39 T CA 1.508 63.324 62.100 -0.473 0.000 1.131 39 T CB -0.688 67.551 68.868 -1.049 0.000 0.871 39 T HN 0.655 nan 8.240 nan 0.000 0.479 40 E N 1.302 121.433 120.200 -0.116 0.000 2.152 40 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 40 E C 2.311 178.912 176.600 0.002 0.000 0.983 40 E CA 1.001 57.388 56.400 -0.022 0.000 0.818 40 E CB -0.175 29.508 29.700 -0.029 0.000 0.758 40 E HN 0.717 nan 8.360 nan 0.000 0.467 41 E N -0.151 120.025 120.200 -0.041 0.000 2.152 41 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 41 E C 1.943 178.511 176.600 -0.052 0.000 0.983 41 E CA 0.792 57.172 56.400 -0.033 0.000 0.818 41 E CB 0.146 29.809 29.700 -0.060 0.000 0.758 41 E HN 0.075 nan 8.360 nan 0.000 0.467 42 V N 2.003 121.858 119.914 -0.099 0.000 2.358 42 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 42 V C 1.657 177.572 176.094 -0.299 0.000 1.047 42 V CA 1.821 63.974 62.300 -0.244 0.000 1.035 42 V CB -0.405 31.360 31.823 -0.096 0.000 0.658 42 V HN 0.191 nan 8.190 nan 0.000 0.452 43 D N -0.828 119.578 120.400 0.011 0.000 2.133 43 D HA -0.240 4.400 4.640 -0.000 0.000 0.195 43 D C 1.919 178.238 176.300 0.032 0.000 0.997 43 D CA 1.782 55.852 54.000 0.117 0.000 0.840 43 D CB -0.304 40.643 40.800 0.246 0.000 0.947 43 D HN 0.603 nan 8.370 nan 0.000 0.452 44 Y N 1.256 121.511 120.300 -0.075 0.000 2.242 44 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 44 Y C 2.249 178.073 175.900 -0.126 0.000 1.137 44 Y CA 0.940 58.992 58.100 -0.079 0.000 1.181 44 Y CB -0.125 38.286 38.460 -0.081 0.000 0.989 44 Y HN -0.221 nan 8.280 nan 0.000 0.527 45 V N -0.346 119.474 119.914 -0.158 0.000 2.233 45 V HA -0.364 3.756 4.120 -0.000 0.000 0.247 45 V C 2.073 178.033 176.094 -0.223 0.000 1.050 45 V CA 2.253 64.396 62.300 -0.262 0.000 1.010 45 V CB -1.042 30.575 31.823 -0.344 0.000 0.637 45 V HN 0.404 nan 8.190 nan 0.000 0.444 46 Y N 0.641 120.801 120.300 -0.234 0.000 2.165 46 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 46 Y C 2.567 178.331 175.900 -0.226 0.000 1.155 46 Y CA 0.898 58.843 58.100 -0.259 0.000 1.164 46 Y CB -1.470 36.746 38.460 -0.407 0.000 0.978 46 Y HN 0.220 nan 8.280 nan 0.000 0.513 47 A N -0.773 122.009 122.820 -0.063 0.000 1.933 47 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 47 A C 2.513 179.968 177.584 -0.215 0.000 1.175 47 A CA 1.898 53.865 52.037 -0.116 0.000 0.628 47 A CB -0.922 18.008 19.000 -0.117 0.000 0.814 47 A HN 0.397 nan 8.150 nan 0.000 0.444 48 S N -0.099 115.381 115.700 -0.366 0.000 2.368 48 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 48 S C 2.321 176.782 174.600 -0.231 0.000 1.030 48 S CA 1.199 59.169 58.200 -0.383 0.000 0.999 48 S CB -0.456 62.431 63.200 -0.521 0.000 0.844 48 S HN 0.795 nan 8.310 nan 0.000 0.459 49 A N 2.167 124.878 122.820 -0.183 0.000 1.873 49 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 49 A C 2.038 179.562 177.584 -0.100 0.000 1.186 49 A CA 1.196 53.149 52.037 -0.141 0.000 0.616 49 A CB -0.363 18.579 19.000 -0.096 0.000 0.823 49 A HN 0.249 nan 8.150 nan 0.000 0.442 50 K N 0.080 120.433 120.400 -0.079 0.000 2.147 50 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 50 K C 1.877 178.450 176.600 -0.046 0.000 1.049 50 K CA 1.620 57.876 56.287 -0.053 0.000 0.936 50 K CB -0.311 32.164 32.500 -0.042 0.000 0.722 50 K HN 0.619 nan 8.250 nan 0.000 0.446 51 K N 0.544 120.903 120.400 -0.069 0.000 2.228 51 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 51 K C 1.799 178.375 176.600 -0.041 0.000 1.051 51 K CA 0.839 57.093 56.287 -0.055 0.000 0.960 51 K CB 0.102 32.556 32.500 -0.077 0.000 0.743 51 K HN 0.069 nan 8.250 nan 0.000 0.458 52 A N 0.568 123.352 122.820 -0.060 0.000 2.132 52 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 52 A C 1.940 179.539 177.584 0.024 0.000 1.154 52 A CA 0.322 52.335 52.037 -0.041 0.000 0.753 52 A CB -0.192 18.742 19.000 -0.109 0.000 0.826 52 A HN 0.296 nan 8.150 nan 0.000 0.469 53 Q N 0.282 120.095 119.800 0.022 0.000 2.096 53 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 53 Q C -0.754 175.319 176.000 0.121 0.000 0.982 53 Q CA 2.108 57.967 55.803 0.093 0.000 0.850 53 Q CB -1.038 27.733 28.738 0.055 0.000 0.901 53 Q HN 0.441 nan 8.270 nan 0.000 0.422 54 P HA -0.098 nan 4.420 nan 0.000 0.215 54 P C 0.814 178.153 177.300 0.065 0.000 1.153 54 P CA 2.069 65.201 63.100 0.052 0.000 0.853 54 P CB -0.304 31.413 31.700 0.028 0.000 0.788 55 A N -1.244 121.629 122.820 0.087 0.000 1.968 55 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 55 A C 2.193 179.875 177.584 0.164 0.000 1.169 55 A CA 0.884 52.980 52.037 0.099 0.000 0.638 55 A CB -1.838 17.220 19.000 0.096 0.000 0.812 55 A HN 0.313 nan 8.150 nan 0.000 0.446 56 W N 0.784 122.068 121.300 -0.027 0.000 2.381 56 W HA -0.145 4.515 4.660 -0.000 0.000 0.301 56 W C 2.278 178.771 176.519 -0.042 0.000 1.205 56 W CA 1.466 58.794 57.345 -0.028 0.000 1.285 56 W CB -0.150 29.288 29.460 -0.036 0.000 1.133 56 W HN 0.388 nan 8.180 nan 0.000 0.521 57 R N 0.859 121.368 120.500 0.014 0.000 2.115 57 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 57 R C 2.272 178.458 176.300 -0.190 0.000 1.111 57 R CA 1.542 57.552 56.100 -0.150 0.000 0.976 57 R CB -0.642 29.631 30.300 -0.045 0.000 0.870 57 R HN 0.082 nan 8.270 nan 0.000 0.445 58 A N 1.464 124.224 122.820 -0.099 0.000 2.067 58 A HA 0.034 4.354 4.320 -0.000 0.000 0.219 58 A C 1.130 178.636 177.584 -0.130 0.000 1.158 58 A CA 0.471 52.452 52.037 -0.092 0.000 0.661 58 A CB -0.330 18.651 19.000 -0.032 0.000 0.801 58 A HN 0.250 nan 8.150 nan 0.000 0.452 59 L N 1.009 122.128 121.223 -0.173 0.000 2.482 59 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 59 L C 1.210 177.920 176.870 -0.265 0.000 1.228 59 L CA -0.165 54.562 54.840 -0.188 0.000 0.827 59 L CB 0.452 42.365 42.059 -0.243 0.000 1.099 59 L HN 0.471 nan 8.230 nan 0.000 0.494 60 S N 0.189 115.775 115.700 -0.191 0.000 2.600 60 S HA 0.073 4.543 4.470 -0.000 0.000 0.265 60 S C 0.857 175.317 174.600 -0.233 0.000 1.325 60 S CA -0.414 57.676 58.200 -0.182 0.000 1.002 60 S CB 0.466 63.625 63.200 -0.069 0.000 0.921 60 S HN 0.418 nan 8.310 nan 0.000 0.554 61 Y N 0.682 120.910 120.300 -0.121 0.000 2.128 61 Y HA -0.088 4.462 4.550 -0.000 0.000 0.284 61 Y C 2.237 178.075 175.900 -0.103 0.000 1.154 61 Y CA 1.392 59.417 58.100 -0.124 0.000 1.149 61 Y CB -0.502 37.904 38.460 -0.089 0.000 0.976 61 Y HN 0.724 nan 8.280 nan 0.000 0.505 62 I N 0.019 120.641 120.570 0.086 0.000 2.264 62 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 62 I C 1.900 178.012 176.117 -0.008 0.000 1.111 62 I CA 1.619 62.941 61.300 0.036 0.000 1.382 62 I CB -0.129 37.887 38.000 0.026 0.000 1.060 62 I HN 0.334 nan 8.210 nan 0.000 0.418 63 E N 0.287 120.458 120.200 -0.049 0.000 2.072 63 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 63 E C 2.302 178.877 176.600 -0.041 0.000 0.985 63 E CA 0.962 57.313 56.400 -0.081 0.000 0.801 63 E CB -0.091 29.566 29.700 -0.071 0.000 0.750 63 E HN 0.480 nan 8.360 nan 0.000 0.452 64 R N 0.441 120.885 120.500 -0.094 0.000 2.096 64 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 64 R C 2.371 178.729 176.300 0.097 0.000 1.127 64 R CA 1.029 57.083 56.100 -0.077 0.000 0.968 64 R CB -0.275 29.762 30.300 -0.439 0.000 0.861 64 R HN 0.108 nan 8.270 nan 0.000 0.440 65 A N 1.334 124.167 122.820 0.023 0.000 1.877 65 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 65 A C 2.393 179.968 177.584 -0.015 0.000 1.186 65 A CA 1.700 53.714 52.037 -0.038 0.000 0.620 65 A CB -0.664 18.335 19.000 -0.002 0.000 0.822 65 A HN 0.393 nan 8.150 nan 0.000 0.443 66 A N -1.406 121.443 122.820 0.049 0.000 1.908 66 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 66 A C 2.113 179.712 177.584 0.025 0.000 1.181 66 A CA 1.642 53.702 52.037 0.039 0.000 0.627 66 A CB -0.887 18.049 19.000 -0.106 0.000 0.818 66 A HN 0.657 nan 8.150 nan 0.000 0.445 67 Y N -0.236 120.122 120.300 0.097 0.000 2.181 67 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 67 Y C 2.309 178.234 175.900 0.042 0.000 1.146 67 Y CA 1.310 59.482 58.100 0.120 0.000 1.164 67 Y CB -0.208 38.419 38.460 0.278 0.000 0.982 67 Y HN 0.194 nan 8.280 nan 0.000 0.515 68 L N -1.178 120.148 121.223 0.172 0.000 2.056 68 L HA -0.259 4.080 4.340 -0.000 0.000 0.207 68 L C 2.375 179.194 176.870 -0.084 0.000 1.078 68 L CA 1.035 55.873 54.840 -0.003 0.000 0.749 68 L CB -0.673 41.355 42.059 -0.051 0.000 0.901 68 L HN 0.369 nan 8.230 nan 0.000 0.433 69 H N 0.190 119.271 119.070 0.018 0.000 2.352 69 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 69 H C 2.268 177.574 175.328 -0.036 0.000 1.097 69 H CA 1.150 57.188 56.048 -0.016 0.000 1.311 69 H CB -0.013 29.739 29.762 -0.016 0.000 1.377 69 H HN 0.214 nan 8.280 nan 0.000 0.504 70 K N 0.635 121.092 120.400 0.095 0.000 2.026 70 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 70 K C 2.255 178.829 176.600 -0.043 0.000 1.048 70 K CA 1.025 57.332 56.287 0.033 0.000 0.929 70 K CB -0.194 32.341 32.500 0.059 0.000 0.713 70 K HN 0.051 nan 8.250 nan 0.000 0.439 71 V N 1.332 121.171 119.914 -0.125 0.000 2.255 71 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 71 V C 2.476 178.425 176.094 -0.242 0.000 1.051 71 V CA 2.118 64.223 62.300 -0.325 0.000 1.018 71 V CB -0.826 30.570 31.823 -0.710 0.000 0.641 71 V HN 0.376 nan 8.190 nan 0.000 0.445 72 A N -0.199 122.528 122.820 -0.154 0.000 1.940 72 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 72 A C 1.978 179.531 177.584 -0.051 0.000 1.176 72 A CA 2.124 54.110 52.037 -0.084 0.000 0.631 72 A CB -0.647 18.348 19.000 -0.007 0.000 0.814 72 A HN 0.560 nan 8.150 nan 0.000 0.446 73 D N -0.050 120.332 120.400 -0.031 0.000 2.117 73 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 73 D C 1.808 178.087 176.300 -0.035 0.000 0.987 73 D CA 1.124 55.111 54.000 -0.023 0.000 0.829 73 D CB -0.352 40.441 40.800 -0.011 0.000 0.961 73 D HN 0.523 nan 8.370 nan 0.000 0.460 74 I N 0.498 121.036 120.570 -0.053 0.000 2.226 74 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 74 I C 2.371 178.458 176.117 -0.051 0.000 1.100 74 I CA 0.668 61.937 61.300 -0.051 0.000 1.374 74 I CB -0.083 37.877 38.000 -0.068 0.000 1.057 74 I HN -0.012 nan 8.210 nan 0.000 0.413 75 L N -0.635 120.544 121.223 -0.073 0.000 2.093 75 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 75 L C 2.656 179.503 176.870 -0.038 0.000 1.085 75 L CA 0.945 55.749 54.840 -0.059 0.000 0.755 75 L CB -0.422 41.590 42.059 -0.079 0.000 0.904 75 L HN 0.281 nan 8.230 nan 0.000 0.435 76 M N -0.609 118.970 119.600 -0.035 0.000 2.086 76 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 76 M C 2.357 178.647 176.300 -0.018 0.000 1.067 76 M CA 1.611 56.896 55.300 -0.025 0.000 1.116 76 M CB -1.238 31.350 32.600 -0.021 0.000 1.348 76 M HN 0.210 nan 8.290 nan 0.000 0.407 77 R N 0.291 120.782 120.500 -0.016 0.000 2.091 77 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 77 R C 0.372 176.671 176.300 -0.002 0.000 1.136 77 R CA 1.618 57.713 56.100 -0.008 0.000 0.959 77 R CB -0.017 30.278 30.300 -0.008 0.000 0.856 77 R HN 0.308 nan 8.270 nan 0.000 0.437 78 D N 0.039 120.436 120.400 -0.005 0.000 2.388 78 D HA -0.021 4.619 4.640 -0.000 0.000 0.221 78 D C 1.106 177.409 176.300 0.004 0.000 1.133 78 D CA 0.180 54.183 54.000 0.005 0.000 0.831 78 D CB 0.444 41.248 40.800 0.007 0.000 0.962 78 D HN 0.445 nan 8.370 nan 0.000 0.502 79 K N 0.762 121.157 120.400 -0.007 0.000 2.103 79 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 79 K C 1.276 177.864 176.600 -0.020 0.000 1.048 79 K CA 1.143 57.416 56.287 -0.024 0.000 0.930 79 K CB 0.005 32.482 32.500 -0.039 0.000 0.716 79 K HN -0.088 nan 8.250 nan 0.000 0.444 80 E N 1.257 121.470 120.200 0.022 0.000 2.107 80 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 80 E C 1.961 178.632 176.600 0.118 0.000 0.982 80 E CA 1.130 57.586 56.400 0.093 0.000 0.809 80 E CB 0.031 29.810 29.700 0.132 0.000 0.756 80 E HN 0.415 nan 8.360 nan 0.000 0.459 81 K N 0.879 121.323 120.400 0.074 0.000 2.001 81 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 81 K C 2.026 178.668 176.600 0.070 0.000 1.048 81 K CA 1.365 57.696 56.287 0.072 0.000 0.932 81 K CB -0.222 32.308 32.500 0.050 0.000 0.715 81 K HN 0.080 nan 8.250 nan 0.000 0.437 82 I N 1.208 121.804 120.570 0.044 0.000 2.226 82 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 82 I C 2.567 178.695 176.117 0.019 0.000 1.100 82 I CA 1.449 62.770 61.300 0.034 0.000 1.374 82 I CB -0.625 37.389 38.000 0.025 0.000 1.057 82 I HN 0.440 nan 8.210 nan 0.000 0.413 83 G N 0.427 109.216 108.800 -0.019 0.000 2.422 83 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 83 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 83 G C 1.870 176.780 174.900 0.016 0.000 1.146 83 G CA 0.805 45.847 45.100 -0.097 0.000 0.769 83 G HN 0.492 nan 8.290 nan 0.000 0.547 84 A N 0.717 123.650 122.820 0.188 0.000 1.902 84 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 84 A C 2.397 180.074 177.584 0.156 0.000 1.181 84 A CA 1.357 53.576 52.037 0.303 0.000 0.623 84 A CB -0.330 18.819 19.000 0.249 0.000 0.818 84 A HN 0.379 nan 8.150 nan 0.000 0.443 85 I N -0.907 119.723 120.570 0.100 0.000 2.233 85 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 85 I C 2.377 178.523 176.117 0.048 0.000 1.093 85 I CA 0.914 62.254 61.300 0.066 0.000 1.380 85 I CB -0.258 37.773 38.000 0.050 0.000 1.067 85 I HN 0.393 nan 8.210 nan 0.000 0.413 86 L N 0.415 121.660 121.223 0.036 0.000 2.012 86 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 86 L C 2.615 179.501 176.870 0.027 0.000 1.073 86 L CA 2.157 57.010 54.840 0.021 0.000 0.748 86 L CB -1.025 41.031 42.059 -0.005 0.000 0.891 86 L HN 0.227 nan 8.230 nan 0.000 0.431 87 S N -0.810 114.912 115.700 0.037 0.000 2.370 87 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 87 S C 2.036 176.685 174.600 0.082 0.000 1.033 87 S CA 1.853 60.088 58.200 0.059 0.000 1.011 87 S CB -0.230 63.054 63.200 0.139 0.000 0.852 87 S HN 0.644 nan 8.310 nan 0.000 0.457 88 K N 0.397 120.848 120.400 0.084 0.000 2.116 88 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 88 K C 2.345 178.989 176.600 0.073 0.000 1.052 88 K CA 1.221 57.554 56.287 0.077 0.000 0.952 88 K CB -0.201 32.340 32.500 0.069 0.000 0.729 88 K HN 0.509 nan 8.250 nan 0.000 0.446 89 E N 0.985 121.222 120.200 0.062 0.000 2.106 89 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 89 E C 1.352 178.009 176.600 0.095 0.000 0.984 89 E CA 1.367 57.802 56.400 0.060 0.000 0.806 89 E CB 0.371 30.090 29.700 0.032 0.000 0.750 89 E HN 0.207 nan 8.360 nan 0.000 0.458 90 V N -3.488 116.501 119.914 0.124 0.000 3.276 90 V HA 0.572 4.692 4.120 -0.000 0.000 0.319 90 V C 0.534 176.774 176.094 0.244 0.000 1.427 90 V CA 0.199 62.625 62.300 0.209 0.000 1.102 90 V CB 0.040 32.051 31.823 0.312 0.000 1.020 90 V HN 0.197 nan 8.190 nan 0.000 0.456 91 A N 0.381 123.299 122.820 0.165 0.000 2.745 91 A HA -0.280 4.040 4.320 -0.000 0.000 0.296 91 A C 0.519 178.248 177.584 0.243 0.000 1.500 91 A CA 1.739 53.876 52.037 0.168 0.000 0.766 91 A CB -2.065 17.019 19.000 0.140 0.000 1.030 91 A HN 1.004 nan 8.150 nan 0.000 0.489 92 K N 0.343 120.836 120.400 0.154 0.000 2.130 92 K HA 0.520 4.840 4.320 -0.000 0.000 0.268 92 K C 0.825 177.428 176.600 0.004 0.000 0.983 92 K CA 0.037 56.327 56.287 0.005 0.000 0.893 92 K CB 0.960 33.255 32.500 -0.342 0.000 1.066 92 K HN 0.890 nan 8.250 nan 0.000 0.450 93 G N 2.757 111.562 108.800 0.008 0.000 2.368 93 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.233 93 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.233 93 G C 0.354 175.273 174.900 0.031 0.000 1.267 93 G CA 0.007 45.131 45.100 0.040 0.000 0.873 93 G HN 0.895 nan 8.290 nan 0.000 0.539 94 Y N 1.795 122.085 120.300 -0.016 0.000 2.081 94 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 94 Y C 2.801 178.685 175.900 -0.026 0.000 1.163 94 Y CA 2.448 60.538 58.100 -0.017 0.000 1.135 94 Y CB -0.017 38.439 38.460 -0.006 0.000 0.970 94 Y HN 0.573 nan 8.280 nan 0.000 0.498 95 K N -0.621 119.727 120.400 -0.087 0.000 2.103 95 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 95 K C 2.529 179.016 176.600 -0.190 0.000 1.048 95 K CA 1.395 57.584 56.287 -0.163 0.000 0.930 95 K CB -0.368 32.128 32.500 -0.007 0.000 0.716 95 K HN 0.265 nan 8.250 nan 0.000 0.444 96 S N 0.356 115.969 115.700 -0.146 0.000 2.383 96 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 96 S C 1.979 176.460 174.600 -0.198 0.000 1.026 96 S CA 1.111 59.219 58.200 -0.153 0.000 0.981 96 S CB -0.093 63.013 63.200 -0.157 0.000 0.818 96 S HN 0.378 nan 8.310 nan 0.000 0.472 97 A N 0.704 123.384 122.820 -0.233 0.000 1.898 97 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 97 A C 2.296 179.745 177.584 -0.226 0.000 1.181 97 A CA 1.570 53.474 52.037 -0.221 0.000 0.620 97 A CB -0.962 17.926 19.000 -0.187 0.000 0.819 97 A HN 0.426 nan 8.150 nan 0.000 0.442 98 V N -0.524 119.185 119.914 -0.343 0.000 2.343 98 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 98 V C 2.774 178.768 176.094 -0.167 0.000 1.051 98 V CA 2.262 64.390 62.300 -0.287 0.000 1.036 98 V CB -0.765 30.817 31.823 -0.402 0.000 0.654 98 V HN 0.604 nan 8.190 nan 0.000 0.451 99 S N -0.815 114.792 115.700 -0.156 0.000 2.370 99 S HA -0.290 4.180 4.470 -0.000 0.000 0.226 99 S C 2.102 176.659 174.600 -0.072 0.000 1.033 99 S CA 2.069 60.209 58.200 -0.100 0.000 1.011 99 S CB -0.291 62.855 63.200 -0.091 0.000 0.852 99 S HN 0.753 nan 8.310 nan 0.000 0.457 100 E N 0.017 120.176 120.200 -0.067 0.000 2.118 100 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 100 E C 1.857 178.443 176.600 -0.023 0.000 0.992 100 E CA 1.453 57.847 56.400 -0.011 0.000 0.804 100 E CB -0.006 29.695 29.700 0.002 0.000 0.741 100 E HN 0.426 nan 8.360 nan 0.000 0.458 101 V N 0.346 120.231 119.914 -0.048 0.000 2.379 101 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 101 V C 2.407 178.475 176.094 -0.044 0.000 1.044 101 V CA 1.212 63.489 62.300 -0.040 0.000 1.036 101 V CB -0.194 31.601 31.823 -0.046 0.000 0.664 101 V HN 0.186 nan 8.190 nan 0.000 0.453 102 V N 0.241 120.124 119.914 -0.053 0.000 2.295 102 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 102 V C 2.591 178.657 176.094 -0.047 0.000 1.049 102 V CA 2.458 64.730 62.300 -0.048 0.000 1.024 102 V CB -0.782 31.011 31.823 -0.051 0.000 0.648 102 V HN 0.494 nan 8.190 nan 0.000 0.447 103 R N -0.274 120.193 120.500 -0.055 0.000 2.120 103 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 103 R C 2.241 178.504 176.300 -0.062 0.000 1.123 103 R CA 1.944 58.003 56.100 -0.068 0.000 0.975 103 R CB -0.336 29.913 30.300 -0.084 0.000 0.866 103 R HN 0.568 nan 8.270 nan 0.000 0.446 104 T N 0.353 114.878 114.554 -0.048 0.000 2.777 104 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 104 T C 1.818 176.496 174.700 -0.037 0.000 1.040 104 T CA 1.236 63.312 62.100 -0.041 0.000 1.141 104 T CB -0.231 68.621 68.868 -0.026 0.000 0.868 104 T HN 0.433 nan 8.240 nan 0.000 0.444 105 A N 1.713 124.510 122.820 -0.038 0.000 1.902 105 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 105 A C 2.206 179.789 177.584 -0.001 0.000 1.181 105 A CA 1.687 53.705 52.037 -0.032 0.000 0.623 105 A CB -0.587 18.395 19.000 -0.030 0.000 0.818 105 A HN 0.565 nan 8.150 nan 0.000 0.443 106 E N -0.378 119.819 120.200 -0.005 0.000 2.058 106 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 106 E C 1.908 178.536 176.600 0.047 0.000 0.997 106 E CA 1.318 57.728 56.400 0.017 0.000 0.801 106 E CB -0.300 29.387 29.700 -0.022 0.000 0.746 106 E HN 0.686 nan 8.360 nan 0.000 0.450 107 I N 0.890 121.464 120.570 0.006 0.000 2.226 107 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 107 I C 2.317 178.475 176.117 0.069 0.000 1.100 107 I CA 1.059 62.373 61.300 0.024 0.000 1.374 107 I CB -0.151 37.832 38.000 -0.027 0.000 1.057 107 I HN 0.134 nan 8.210 nan 0.000 0.413 108 I N 0.529 121.118 120.570 0.031 0.000 2.252 108 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 108 I C 2.009 178.128 176.117 0.004 0.000 1.102 108 I CA 1.681 62.989 61.300 0.013 0.000 1.385 108 I CB -0.515 37.462 38.000 -0.037 0.000 1.064 108 I HN 0.295 nan 8.210 nan 0.000 0.414 109 N N -0.142 118.592 118.700 0.056 0.000 2.106 109 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 109 N C 1.955 177.536 175.510 0.118 0.000 1.029 109 N CA 1.032 54.153 53.050 0.120 0.000 0.848 109 N CB -0.178 38.430 38.487 0.202 0.000 1.007 109 N HN 0.247 nan 8.380 nan 0.000 0.423 110 Y N 1.386 121.703 120.300 0.027 0.000 2.224 110 Y HA -0.157 4.393 4.550 -0.000 0.000 0.289 110 Y C 2.271 178.174 175.900 0.005 0.000 1.146 110 Y CA 1.386 59.498 58.100 0.021 0.000 1.182 110 Y CB -0.201 38.263 38.460 0.006 0.000 0.983 110 Y HN 0.059 nan 8.280 nan 0.000 0.524 111 A N 0.058 122.955 122.820 0.129 0.000 1.898 111 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 111 A C 2.395 179.960 177.584 -0.032 0.000 1.181 111 A CA 1.624 53.696 52.037 0.060 0.000 0.620 111 A CB -1.417 17.627 19.000 0.073 0.000 0.819 111 A HN 0.539 nan 8.150 nan 0.000 0.442 112 A N -0.435 122.332 122.820 -0.087 0.000 1.908 112 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 112 A C 1.970 179.486 177.584 -0.113 0.000 1.181 112 A CA 1.827 53.765 52.037 -0.165 0.000 0.627 112 A CB -0.357 18.337 19.000 -0.509 0.000 0.818 112 A HN 0.468 nan 8.150 nan 0.000 0.445 113 E N -0.919 119.216 120.200 -0.108 0.000 2.170 113 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 113 E C 1.941 178.432 176.600 -0.181 0.000 0.981 113 E CA 1.121 57.460 56.400 -0.102 0.000 0.830 113 E CB -0.178 29.464 29.700 -0.096 0.000 0.775 113 E HN 0.753 nan 8.360 nan 0.000 0.470 114 E N 0.686 120.743 120.200 -0.239 0.000 2.047 114 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 114 E C 2.036 178.550 176.600 -0.144 0.000 0.987 114 E CA 1.487 57.762 56.400 -0.209 0.000 0.799 114 E CB -0.576 29.025 29.700 -0.165 0.000 0.752 114 E HN 0.208 nan 8.360 nan 0.000 0.449 115 G N 0.561 109.300 108.800 -0.102 0.000 2.471 115 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.219 115 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.219 115 G C 1.464 176.252 174.900 -0.187 0.000 1.125 115 G CA 0.921 45.965 45.100 -0.093 0.000 0.775 115 G HN 0.395 nan 8.290 nan 0.000 0.548 116 L N -1.734 119.396 121.223 -0.155 0.000 2.376 116 L HA 0.356 4.696 4.340 -0.000 0.000 0.219 116 L C 1.977 178.647 176.870 -0.333 0.000 1.133 116 L CA 1.040 55.759 54.840 -0.201 0.000 0.816 116 L CB -0.063 41.970 42.059 -0.043 0.000 0.933 116 L HN -0.044 nan 8.230 nan 0.000 0.449 117 R N -0.585 119.754 120.500 -0.268 0.000 2.515 117 R HA 0.312 4.652 4.340 -0.000 0.000 0.294 117 R C -0.053 176.092 176.300 -0.259 0.000 1.021 117 R CA -0.474 55.487 56.100 -0.230 0.000 1.081 117 R CB 0.005 30.211 30.300 -0.158 0.000 1.263 117 R HN 0.233 nan 8.270 nan 0.000 0.557 118 M N 1.349 120.722 119.600 -0.378 0.000 2.252 118 M HA 0.028 4.508 4.480 -0.000 0.000 0.348 118 M C -0.278 175.883 176.300 -0.232 0.000 1.334 118 M CA 0.923 56.052 55.300 -0.285 0.000 1.071 118 M CB 0.565 32.999 32.600 -0.277 0.000 1.763 118 M HN 0.007 nan 8.290 nan 0.000 0.452 119 E N 1.066 121.186 120.200 -0.134 0.000 2.244 119 E HA 0.700 5.050 4.350 -0.000 0.000 0.266 119 E C -0.116 176.455 176.600 -0.049 0.000 0.914 119 E CA -0.780 55.567 56.400 -0.087 0.000 0.794 119 E CB 1.626 31.284 29.700 -0.071 0.000 1.210 119 E HN 0.809 nan 8.360 nan 0.000 0.414 120 G N 0.758 109.543 108.800 -0.026 0.000 2.642 120 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 120 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 120 G C -0.849 174.048 174.900 -0.005 0.000 1.345 120 G CA -0.504 44.592 45.100 -0.006 0.000 1.043 120 G HN 0.572 nan 8.290 nan 0.000 0.528 121 E N -1.927 118.274 120.200 0.002 0.000 2.369 121 E HA 0.587 4.937 4.350 -0.000 0.000 0.270 121 E C -1.678 174.923 176.600 0.002 0.000 0.909 121 E CA -0.970 55.430 56.400 -0.000 0.000 0.775 121 E CB 2.536 32.234 29.700 -0.003 0.000 1.270 121 E HN 0.202 nan 8.360 nan 0.000 0.445 122 V N 2.409 122.321 119.914 -0.002 0.000 2.376 122 V HA 0.324 4.444 4.120 -0.000 0.000 0.287 122 V C -0.379 175.703 176.094 -0.019 0.000 1.015 122 V CA -0.667 61.627 62.300 -0.010 0.000 0.834 122 V CB 0.733 32.553 31.823 -0.005 0.000 1.001 122 V HN 0.545 nan 8.190 nan 0.000 0.428 123 L N 3.791 124.996 121.223 -0.030 0.000 2.334 123 L HA 0.663 5.003 4.340 -0.000 0.000 0.275 123 L C 0.008 176.851 176.870 -0.044 0.000 1.036 123 L CA -0.694 54.129 54.840 -0.028 0.000 0.807 123 L CB 1.678 43.722 42.059 -0.025 0.000 1.231 123 L HN 0.477 nan 8.230 nan 0.000 0.438 124 E N 1.320 121.505 120.200 -0.026 0.000 2.133 124 E HA 0.183 4.533 4.350 -0.000 0.000 0.274 124 E C 0.706 177.302 176.600 -0.006 0.000 0.930 124 E CA -0.254 56.129 56.400 -0.029 0.000 0.770 124 E CB 1.988 31.681 29.700 -0.012 0.000 1.104 124 E HN 0.801 nan 8.360 nan 0.000 0.403 125 G N 2.720 111.508 108.800 -0.020 0.000 2.448 125 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 125 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 125 G C 1.252 176.185 174.900 0.056 0.000 1.127 125 G CA 0.713 45.824 45.100 0.019 0.000 0.766 125 G HN 0.575 nan 8.290 nan 0.000 0.552 126 G N 0.205 109.019 108.800 0.023 0.000 2.598 126 G HA2 0.017 3.977 3.960 -0.000 0.000 0.215 126 G HA3 0.017 3.977 3.960 -0.000 0.000 0.215 126 G C 1.882 176.796 174.900 0.023 0.000 1.131 126 G CA 1.034 46.144 45.100 0.018 0.000 0.785 126 G HN 0.393 nan 8.290 nan 0.000 0.539 127 S N -0.378 115.350 115.700 0.046 0.000 2.383 127 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 127 S C 1.707 176.356 174.600 0.081 0.000 1.026 127 S CA 0.616 58.849 58.200 0.056 0.000 0.981 127 S CB -0.187 63.058 63.200 0.075 0.000 0.818 127 S HN 0.457 nan 8.310 nan 0.000 0.472 128 F N 1.504 121.444 119.950 -0.018 0.000 2.383 128 F HA 0.252 4.779 4.527 -0.000 0.000 0.287 128 F C 0.670 176.462 175.800 -0.014 0.000 1.069 128 F CA 0.256 58.247 58.000 -0.015 0.000 1.402 128 F CB 0.576 39.567 39.000 -0.015 0.000 1.116 128 F HN 0.104 nan 8.300 nan 0.000 0.549 129 E N -0.488 119.757 120.200 0.076 0.000 2.290 129 E HA 0.483 4.833 4.350 -0.000 0.000 0.274 129 E C 0.016 176.621 176.600 0.008 0.000 0.889 129 E CA -0.191 56.212 56.400 0.005 0.000 0.760 129 E CB 1.837 31.593 29.700 0.093 0.000 1.206 129 E HN 0.073 nan 8.360 nan 0.000 0.419 130 A N 3.770 126.578 122.820 -0.021 0.000 1.908 130 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 130 A C 2.179 179.762 177.584 -0.001 0.000 1.181 130 A CA 2.109 54.138 52.037 -0.013 0.000 0.627 130 A CB -0.937 18.049 19.000 -0.022 0.000 0.818 130 A HN 0.867 nan 8.150 nan 0.000 0.445 131 A N -1.039 121.784 122.820 0.005 0.000 2.178 131 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 131 A C 1.918 179.511 177.584 0.014 0.000 1.157 131 A CA 1.645 53.688 52.037 0.010 0.000 0.689 131 A CB -0.412 18.596 19.000 0.014 0.000 0.787 131 A HN 0.397 nan 8.150 nan 0.000 0.465 132 S N -0.693 115.019 115.700 0.021 0.000 2.568 132 S HA 0.061 4.531 4.470 -0.000 0.000 0.232 132 S C 1.484 176.084 174.600 -0.001 0.000 0.975 132 S CA 0.233 58.442 58.200 0.016 0.000 0.949 132 S CB 0.129 63.351 63.200 0.036 0.000 0.829 132 S HN 0.842 nan 8.310 nan 0.000 0.479 133 K N 1.484 121.883 120.400 -0.002 0.000 2.286 133 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 133 K C 1.096 177.681 176.600 -0.025 0.000 1.045 133 K CA 1.148 57.429 56.287 -0.010 0.000 0.935 133 K CB -0.061 32.435 32.500 -0.007 0.000 0.737 133 K HN -0.025 nan 8.250 nan 0.000 0.460 134 K N 1.184 121.568 120.400 -0.027 0.000 2.374 134 K HA 0.107 4.426 4.320 -0.000 0.000 0.196 134 K C 0.082 176.628 176.600 -0.091 0.000 1.023 134 K CA 0.234 56.497 56.287 -0.040 0.000 1.103 134 K CB 0.510 33.003 32.500 -0.013 0.000 0.848 134 K HN 0.203 nan 8.250 nan 0.000 0.528 135 K N 1.979 122.323 120.400 -0.094 0.000 2.227 135 K HA 0.295 4.615 4.320 -0.000 0.000 0.280 135 K C -0.332 176.146 176.600 -0.203 0.000 1.041 135 K CA -0.379 55.818 56.287 -0.150 0.000 0.905 135 K CB 0.543 32.996 32.500 -0.078 0.000 1.068 135 K HN 0.024 nan 8.250 nan 0.000 0.470 136 I N 0.109 120.459 120.570 -0.366 0.000 2.785 136 I HA 0.670 4.840 4.170 -0.000 0.000 0.302 136 I C -1.063 174.879 176.117 -0.292 0.000 1.069 136 I CA -1.136 59.975 61.300 -0.314 0.000 1.045 136 I CB 2.340 40.123 38.000 -0.362 0.000 1.236 136 I HN 0.539 nan 8.210 nan 0.000 0.429 137 A N 4.714 127.444 122.820 -0.150 0.000 2.303 137 A HA 0.710 5.030 4.320 -0.000 0.000 0.320 137 A C -0.669 176.894 177.584 -0.034 0.000 1.192 137 A CA -0.595 51.397 52.037 -0.076 0.000 0.821 137 A CB 1.344 20.315 19.000 -0.047 0.000 1.188 137 A HN 0.569 nan 8.150 nan 0.000 0.492 138 V N 4.250 124.177 119.914 0.023 0.000 2.304 138 V HA 0.263 4.383 4.120 -0.000 0.000 0.269 138 V C -0.264 175.858 176.094 0.048 0.000 1.036 138 V CA -0.311 62.023 62.300 0.058 0.000 0.840 138 V CB 0.944 32.850 31.823 0.139 0.000 1.036 138 V HN 0.605 nan 8.190 nan 0.000 0.466 139 V N 6.666 126.597 119.914 0.028 0.000 2.370 139 V HA 0.547 4.667 4.120 -0.000 0.000 0.279 139 V C 0.191 176.301 176.094 0.027 0.000 1.029 139 V CA -0.631 61.683 62.300 0.024 0.000 0.870 139 V CB 1.321 33.151 31.823 0.012 0.000 0.984 139 V HN 0.799 nan 8.190 nan 0.000 0.451 140 R N 3.670 124.191 120.500 0.034 0.000 2.740 140 R HA 0.604 4.944 4.340 -0.000 0.000 0.282 140 R C -0.467 175.859 176.300 0.044 0.000 0.969 140 R CA -0.954 55.170 56.100 0.040 0.000 0.918 140 R CB 2.310 32.641 30.300 0.052 0.000 1.175 140 R HN 0.588 nan 8.270 nan 0.000 0.464 141 R N 1.771 122.303 120.500 0.052 0.000 2.539 141 R HA 0.177 4.517 4.340 -0.000 0.000 0.275 141 R C -0.244 176.101 176.300 0.076 0.000 1.077 141 R CA 0.066 56.202 56.100 0.059 0.000 1.097 141 R CB 0.778 31.111 30.300 0.056 0.000 1.018 141 R HN 0.603 nan 8.270 nan 0.000 0.483 142 E N 2.222 122.457 120.200 0.058 0.000 2.393 142 E HA 0.383 4.733 4.350 -0.000 0.000 0.273 142 E C -2.458 174.167 176.600 0.043 0.000 0.918 142 E CA -2.073 54.353 56.400 0.044 0.000 0.773 142 E CB 2.838 32.557 29.700 0.032 0.000 1.275 142 E HN 0.321 nan 8.360 nan 0.000 0.451 143 P HA 0.006 nan 4.420 nan 0.000 0.276 143 P C 0.835 178.162 177.300 0.044 0.000 1.244 143 P CA -0.187 62.936 63.100 0.038 0.000 0.801 143 P CB 0.912 32.638 31.700 0.043 0.000 1.006 144 V N -1.878 118.066 119.914 0.049 0.000 2.951 144 V HA 0.308 4.428 4.120 -0.000 0.000 0.255 144 V C 1.195 177.326 176.094 0.062 0.000 1.088 144 V CA 1.551 63.896 62.300 0.074 0.000 1.109 144 V CB -1.322 30.585 31.823 0.140 0.000 0.724 144 V HN 0.870 nan 8.190 nan 0.000 0.471 145 G N 0.662 109.493 108.800 0.052 0.000 2.055 145 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.160 145 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.160 145 G C -0.848 174.071 174.900 0.031 0.000 1.087 145 G CA -0.172 44.951 45.100 0.039 0.000 1.269 145 G HN 0.750 nan 8.290 nan 0.000 0.461 146 L N 1.881 123.106 121.223 0.003 0.000 2.264 146 L HA 0.804 5.144 4.340 -0.000 0.000 0.289 146 L C -0.062 176.811 176.870 0.006 0.000 1.044 146 L CA -0.820 54.005 54.840 -0.026 0.000 0.807 146 L CB 1.530 43.528 42.059 -0.102 0.000 1.192 146 L HN 0.545 nan 8.230 nan 0.000 0.425 147 V N 6.167 126.095 119.914 0.024 0.000 2.427 147 V HA 0.382 4.502 4.120 -0.000 0.000 0.286 147 V C -0.289 175.858 176.094 0.089 0.000 1.034 147 V CA -0.656 61.691 62.300 0.079 0.000 0.893 147 V CB 1.541 33.377 31.823 0.021 0.000 0.982 147 V HN 0.709 nan 8.190 nan 0.000 0.452 148 L N 5.508 126.817 121.223 0.143 0.000 2.265 148 L HA 0.809 5.149 4.340 -0.000 0.000 0.289 148 L C 0.219 177.224 176.870 0.226 0.000 1.033 148 L CA -0.096 54.843 54.840 0.165 0.000 0.814 148 L CB 0.761 42.907 42.059 0.146 0.000 1.203 148 L HN 0.720 nan 8.230 nan 0.000 0.423 149 A N 6.897 129.861 122.820 0.240 0.000 2.288 149 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 149 A C -0.658 177.154 177.584 0.380 0.000 1.217 149 A CA -0.444 51.761 52.037 0.280 0.000 0.840 149 A CB 0.313 19.433 19.000 0.200 0.000 1.179 149 A HN 0.708 nan 8.150 nan 0.000 0.504 150 I N 2.912 123.687 120.570 0.343 0.000 2.410 150 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 150 I C 0.379 176.622 176.117 0.210 0.000 1.009 150 I CA -0.328 61.171 61.300 0.332 0.000 1.111 150 I CB 2.081 40.350 38.000 0.449 0.000 1.262 150 I HN 0.703 nan 8.210 nan 0.000 0.443 151 S N 7.157 123.020 115.700 0.273 0.000 2.638 151 S HA 0.755 5.225 4.470 -0.000 0.000 0.298 151 S C -2.766 171.897 174.600 0.105 0.000 1.111 151 S CA -1.431 56.879 58.200 0.184 0.000 1.027 151 S CB 2.079 65.467 63.200 0.313 0.000 1.064 151 S HN 0.338 nan 8.310 nan 0.000 0.525 152 P HA 0.331 nan 4.420 nan 0.000 0.285 152 P C 0.609 177.977 177.300 0.112 0.000 1.280 152 P CA -0.935 62.194 63.100 0.049 0.000 0.862 152 P CB 0.567 32.240 31.700 -0.045 0.000 1.153 153 F N 1.537 121.571 119.950 0.140 0.000 2.269 153 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 153 F C 1.466 177.363 175.800 0.163 0.000 1.082 153 F CA 1.571 59.657 58.000 0.144 0.000 1.360 153 F CB -1.676 37.406 39.000 0.137 0.000 1.041 153 F HN 0.159 nan 8.300 nan 0.000 0.512 154 N N -0.583 117.701 118.700 -0.692 0.000 2.457 154 N HA -0.146 4.594 4.740 -0.000 0.000 0.180 154 N C -0.518 174.699 175.510 -0.487 0.000 1.050 154 N CA 0.869 53.622 53.050 -0.495 0.000 0.906 154 N CB -0.729 37.418 38.487 -0.567 0.000 0.968 154 N HN 0.569 nan 8.380 nan 0.000 0.445 155 Y N -0.472 119.773 120.300 -0.092 0.000 2.640 155 Y HA 0.313 4.863 4.550 -0.000 0.000 0.295 155 Y C -1.941 173.960 175.900 0.001 0.000 1.023 155 Y CA -1.460 56.600 58.100 -0.067 0.000 1.163 155 Y CB 1.648 40.052 38.460 -0.093 0.000 1.145 155 Y HN -0.034 nan 8.280 nan 0.000 0.609 156 P HA -0.121 nan 4.420 nan 0.000 0.222 156 P C 1.092 178.539 177.300 0.246 0.000 1.147 156 P CA 1.252 64.480 63.100 0.213 0.000 0.790 156 P CB 0.797 32.612 31.700 0.192 0.000 0.780 157 V N -0.162 119.854 119.914 0.170 0.000 2.690 157 V HA 0.007 4.127 4.120 -0.000 0.000 0.240 157 V C 2.600 178.728 176.094 0.057 0.000 1.078 157 V CA 1.033 63.407 62.300 0.123 0.000 1.102 157 V CB -1.104 30.779 31.823 0.100 0.000 0.800 157 V HN 0.135 nan 8.190 nan 0.000 0.479 158 N N 0.590 119.334 118.700 0.072 0.000 2.120 158 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 158 N C 1.459 176.937 175.510 -0.053 0.000 1.024 158 N CA 1.253 54.301 53.050 -0.004 0.000 0.852 158 N CB 0.042 38.516 38.487 -0.022 0.000 1.003 158 N HN 0.233 nan 8.380 nan 0.000 0.424 159 L N 0.828 122.041 121.223 -0.016 0.000 2.627 159 L HA 0.151 4.491 4.340 -0.000 0.000 0.233 159 L C 1.756 178.619 176.870 -0.013 0.000 1.144 159 L CA 0.285 55.102 54.840 -0.038 0.000 0.892 159 L CB -0.867 41.180 42.059 -0.019 0.000 1.039 159 L HN 0.144 nan 8.230 nan 0.000 0.442 160 A N -0.966 121.821 122.820 -0.055 0.000 1.909 160 A HA 0.263 4.583 4.320 -0.000 0.000 0.209 160 A C 2.301 179.764 177.584 -0.203 0.000 1.247 160 A CA 0.757 52.646 52.037 -0.247 0.000 0.660 160 A CB -0.939 17.673 19.000 -0.647 0.000 0.910 160 A HN 0.336 nan 8.150 nan 0.000 0.465 161 G N 0.701 109.431 108.800 -0.116 0.000 2.469 161 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 161 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 161 G C 1.902 176.795 174.900 -0.013 0.000 1.136 161 G CA 2.029 47.112 45.100 -0.029 0.000 0.759 161 G HN 0.901 nan 8.290 nan 0.000 0.562 162 S N 0.008 115.688 115.700 -0.033 0.000 2.447 162 S HA 0.026 4.496 4.470 -0.000 0.000 0.233 162 S C 2.009 176.619 174.600 0.015 0.000 1.006 162 S CA 1.468 59.658 58.200 -0.015 0.000 0.957 162 S CB -0.068 63.101 63.200 -0.052 0.000 0.773 162 S HN 0.515 nan 8.310 nan 0.000 0.507 163 K N 0.524 120.928 120.400 0.006 0.000 2.190 163 K HA 0.354 4.674 4.320 -0.000 0.000 0.202 163 K C 2.005 178.613 176.600 0.012 0.000 1.045 163 K CA 0.690 56.991 56.287 0.023 0.000 0.976 163 K CB -0.226 32.301 32.500 0.045 0.000 0.849 163 K HN 0.302 nan 8.250 nan 0.000 0.468 164 I N 1.692 122.257 120.570 -0.008 0.000 2.142 164 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 164 I C 2.572 178.738 176.117 0.082 0.000 1.078 164 I CA 1.424 62.731 61.300 0.011 0.000 1.343 164 I CB -0.373 37.590 38.000 -0.061 0.000 1.046 164 I HN 0.136 nan 8.210 nan 0.000 0.405 165 A N 0.962 123.846 122.820 0.106 0.000 1.873 165 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 165 A C 0.033 177.677 177.584 0.100 0.000 1.186 165 A CA 1.571 53.685 52.037 0.129 0.000 0.616 165 A CB -1.903 17.155 19.000 0.096 0.000 0.823 165 A HN 0.259 nan 8.150 nan 0.000 0.442 166 P HA -0.097 nan 4.420 nan 0.000 0.217 166 P C 1.733 179.058 177.300 0.041 0.000 1.150 166 P CA 1.863 64.994 63.100 0.052 0.000 0.832 166 P CB -0.095 31.631 31.700 0.042 0.000 0.787 167 A N -0.323 122.514 122.820 0.029 0.000 1.845 167 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 167 A C 2.244 179.897 177.584 0.116 0.000 1.195 167 A CA 1.473 53.519 52.037 0.015 0.000 0.616 167 A CB -1.651 17.343 19.000 -0.009 0.000 0.832 167 A HN 0.074 nan 8.150 nan 0.000 0.443 168 L N -1.008 120.331 121.223 0.193 0.000 2.012 168 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 168 L C 2.559 179.642 176.870 0.355 0.000 1.073 168 L CA 1.548 56.624 54.840 0.393 0.000 0.748 168 L CB -0.618 41.691 42.059 0.417 0.000 0.891 168 L HN 0.477 nan 8.230 nan 0.000 0.431 169 I N 0.479 121.175 120.570 0.209 0.000 2.248 169 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 169 I C 2.359 178.544 176.117 0.113 0.000 1.107 169 I CA 1.597 62.975 61.300 0.129 0.000 1.373 169 I CB -0.277 37.777 38.000 0.091 0.000 1.055 169 I HN 0.140 nan 8.210 nan 0.000 0.418 170 A N -0.450 122.441 122.820 0.119 0.000 2.206 170 A HA 0.397 4.717 4.320 -0.000 0.000 0.211 170 A C 1.882 179.475 177.584 0.015 0.000 1.158 170 A CA 0.705 52.814 52.037 0.120 0.000 0.761 170 A CB -0.923 18.130 19.000 0.088 0.000 0.801 170 A HN 0.913 nan 8.150 nan 0.000 0.473 171 G N -1.066 107.727 108.800 -0.011 0.000 2.163 171 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.213 171 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.213 171 G C -0.089 174.940 174.900 0.215 0.000 0.991 171 G CA -0.008 45.052 45.100 -0.066 0.000 0.653 171 G HN 0.454 nan 8.290 nan 0.000 0.518 172 N N -0.009 118.835 118.700 0.240 0.000 2.445 172 N HA 0.584 5.324 4.740 -0.000 0.000 0.264 172 N C 0.680 176.337 175.510 0.246 0.000 1.227 172 N CA 0.474 53.639 53.050 0.190 0.000 0.963 172 N CB 1.973 40.511 38.487 0.084 0.000 1.188 172 N HN 0.776 nan 8.380 nan 0.000 0.491 173 V N -1.575 118.390 119.914 0.085 0.000 2.975 173 V HA 0.626 4.746 4.120 -0.000 0.000 0.318 173 V C -0.124 175.939 176.094 -0.052 0.000 1.077 173 V CA -0.753 61.510 62.300 -0.062 0.000 1.000 173 V CB 1.789 33.537 31.823 -0.125 0.000 1.066 173 V HN 0.367 nan 8.190 nan 0.000 0.452 174 I N 1.663 122.170 120.570 -0.105 0.000 2.608 174 I HA 0.755 4.925 4.170 -0.000 0.000 0.295 174 I C 0.034 176.060 176.117 -0.152 0.000 1.049 174 I CA -0.563 60.688 61.300 -0.082 0.000 1.063 174 I CB 1.753 39.731 38.000 -0.036 0.000 1.248 174 I HN 1.026 nan 8.210 nan 0.000 0.424 175 A N 6.387 129.180 122.820 -0.045 0.000 2.311 175 A HA 0.615 4.935 4.320 -0.000 0.000 0.306 175 A C -1.252 176.368 177.584 0.059 0.000 1.189 175 A CA -0.412 51.605 52.037 -0.033 0.000 0.791 175 A CB 0.756 19.875 19.000 0.198 0.000 1.172 175 A HN 0.440 nan 8.150 nan 0.000 0.481 176 F N 3.235 123.050 119.950 -0.225 0.000 2.388 176 F HA 0.648 5.175 4.527 -0.000 0.000 0.358 176 F C -0.043 175.737 175.800 -0.033 0.000 1.122 176 F CA -1.430 56.510 58.000 -0.100 0.000 1.056 176 F CB 1.555 40.486 39.000 -0.116 0.000 1.155 176 F HN 0.454 nan 8.300 nan 0.000 0.461 177 K N 9.175 129.498 120.400 -0.129 0.000 2.389 177 K HA 0.553 4.873 4.320 -0.000 0.000 0.261 177 K C -3.079 173.277 176.600 -0.407 0.000 1.014 177 K CA -2.075 54.030 56.287 -0.304 0.000 0.920 177 K CB 1.177 33.661 32.500 -0.026 0.000 1.149 177 K HN 0.275 nan 8.250 nan 0.000 0.444 178 P HA 0.294 nan 4.420 nan 0.000 0.278 178 P C -2.696 174.577 177.300 -0.045 0.000 1.266 178 P CA -1.891 61.033 63.100 -0.294 0.000 0.807 178 P CB 0.158 31.668 31.700 -0.318 0.000 1.094 179 P HA 0.039 nan 4.420 nan 0.000 0.272 179 P C 0.797 178.138 177.300 0.069 0.000 1.223 179 P CA 0.269 63.435 63.100 0.109 0.000 0.784 179 P CB 0.128 31.942 31.700 0.190 0.000 0.923 180 T N 0.236 114.827 114.554 0.062 0.000 2.684 180 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 180 T C 0.984 175.709 174.700 0.041 0.000 1.036 180 T CA 1.573 63.694 62.100 0.036 0.000 1.148 180 T CB -0.498 68.392 68.868 0.037 0.000 0.863 180 T HN 0.444 nan 8.240 nan 0.000 0.436 181 Q N 0.888 120.727 119.800 0.066 0.000 2.452 181 Q HA 0.438 4.778 4.340 -0.000 0.000 0.230 181 Q C 0.604 176.676 176.000 0.119 0.000 1.180 181 Q CA 0.361 56.205 55.803 0.068 0.000 0.914 181 Q CB -0.243 28.515 28.738 0.034 0.000 1.408 181 Q HN 0.470 nan 8.270 nan 0.000 0.520 182 G N 1.585 110.434 108.800 0.081 0.000 2.273 182 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.162 182 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.162 182 G C 0.938 175.869 174.900 0.051 0.000 1.006 182 G CA 0.141 45.300 45.100 0.097 0.000 0.704 182 G HN 0.471 nan 8.290 nan 0.000 0.487 183 S N -0.120 115.582 115.700 0.002 0.000 2.428 183 S HA 0.153 4.623 4.470 -0.000 0.000 0.230 183 S C 2.339 176.886 174.600 -0.088 0.000 1.014 183 S CA 1.112 59.286 58.200 -0.043 0.000 0.957 183 S CB -0.127 63.043 63.200 -0.050 0.000 0.784 183 S HN 0.495 nan 8.310 nan 0.000 0.499 184 I N 0.926 121.394 120.570 -0.170 0.000 2.202 184 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 184 I C 2.336 178.324 176.117 -0.216 0.000 1.091 184 I CA 0.880 61.941 61.300 -0.398 0.000 1.368 184 I CB -0.338 37.309 38.000 -0.589 0.000 1.058 184 I HN 0.191 nan 8.210 nan 0.000 0.410 185 S N 0.790 116.447 115.700 -0.072 0.000 2.382 185 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 185 S C 2.133 176.814 174.600 0.135 0.000 1.027 185 S CA 1.353 59.572 58.200 0.031 0.000 0.991 185 S CB -0.777 62.459 63.200 0.060 0.000 0.823 185 S HN 0.648 nan 8.310 nan 0.000 0.469 186 G N 1.664 110.566 108.800 0.170 0.000 2.418 186 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 186 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 186 G C 1.272 176.396 174.900 0.373 0.000 1.158 186 G CA 0.568 45.879 45.100 0.352 0.000 0.771 186 G HN 0.454 nan 8.290 nan 0.000 0.545 187 L N -0.053 121.294 121.223 0.208 0.000 2.240 187 L HA 0.146 4.486 4.340 -0.000 0.000 0.211 187 L C 2.759 179.822 176.870 0.322 0.000 1.106 187 L CA 0.094 55.116 54.840 0.304 0.000 0.793 187 L CB -0.245 41.958 42.059 0.240 0.000 0.927 187 L HN 0.189 nan 8.230 nan 0.000 0.446 188 L N -0.565 120.776 121.223 0.198 0.000 2.093 188 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 188 L C 2.533 179.527 176.870 0.206 0.000 1.085 188 L CA 0.700 55.645 54.840 0.174 0.000 0.755 188 L CB -0.318 41.802 42.059 0.101 0.000 0.904 188 L HN 0.285 nan 8.230 nan 0.000 0.435 189 L N 0.399 121.775 121.223 0.255 0.000 2.056 189 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 189 L C 2.644 179.724 176.870 0.351 0.000 1.078 189 L CA 1.963 56.960 54.840 0.261 0.000 0.749 189 L CB -0.787 41.452 42.059 0.299 0.000 0.901 189 L HN 0.118 nan 8.230 nan 0.000 0.433 190 A N -0.712 122.405 122.820 0.495 0.000 1.940 190 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 190 A C 2.166 179.967 177.584 0.363 0.000 1.176 190 A CA 1.926 54.299 52.037 0.560 0.000 0.631 190 A CB -0.690 18.739 19.000 0.715 0.000 0.814 190 A HN 0.630 nan 8.150 nan 0.000 0.446 191 E N -0.433 120.020 120.200 0.421 0.000 2.097 191 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 191 E C 2.325 179.001 176.600 0.126 0.000 1.000 191 E CA 1.081 57.681 56.400 0.334 0.000 0.804 191 E CB -0.304 29.511 29.700 0.191 0.000 0.740 191 E HN 0.657 nan 8.360 nan 0.000 0.454 192 A N 0.497 123.344 122.820 0.046 0.000 1.902 192 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 192 A C 1.900 179.357 177.584 -0.211 0.000 1.181 192 A CA 1.197 53.170 52.037 -0.106 0.000 0.623 192 A CB -0.760 18.119 19.000 -0.201 0.000 0.818 192 A HN 0.203 nan 8.150 nan 0.000 0.443 193 F N 0.027 119.814 119.950 -0.271 0.000 2.186 193 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 193 F C 2.750 178.380 175.800 -0.282 0.000 1.090 193 F CA 0.965 58.729 58.000 -0.394 0.000 1.307 193 F CB -0.239 38.198 39.000 -0.938 0.000 1.019 193 F HN 0.271 nan 8.300 nan 0.000 0.489 194 A N -0.292 122.403 122.820 -0.209 0.000 1.873 194 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 194 A C 2.142 179.715 177.584 -0.017 0.000 1.186 194 A CA 1.811 53.654 52.037 -0.324 0.000 0.616 194 A CB -0.870 17.800 19.000 -0.550 0.000 0.823 194 A HN 0.406 nan 8.150 nan 0.000 0.442 195 E N -0.195 120.017 120.200 0.020 0.000 2.110 195 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 195 E C 2.018 178.649 176.600 0.052 0.000 0.988 195 E CA 0.897 57.328 56.400 0.051 0.000 0.804 195 E CB -0.225 29.497 29.700 0.037 0.000 0.745 195 E HN 0.542 nan 8.360 nan 0.000 0.458 196 A N 0.218 123.052 122.820 0.023 0.000 2.125 196 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 196 A C 1.791 179.491 177.584 0.193 0.000 1.156 196 A CA 1.301 53.386 52.037 0.080 0.000 0.671 196 A CB -0.703 18.311 19.000 0.023 0.000 0.794 196 A HN 0.501 nan 8.150 nan 0.000 0.459 197 G N -1.882 107.004 108.800 0.144 0.000 2.160 197 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.244 197 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.244 197 G C -0.109 174.848 174.900 0.095 0.000 1.022 197 G CA 0.140 45.346 45.100 0.178 0.000 0.741 197 G HN 0.385 nan 8.290 nan 0.000 0.508 198 L N 0.994 122.150 121.223 -0.111 0.000 2.483 198 L HA 0.364 4.704 4.340 -0.000 0.000 0.276 198 L C -1.148 175.560 176.870 -0.271 0.000 1.213 198 L CA -0.855 53.675 54.840 -0.517 0.000 0.843 198 L CB -0.056 41.746 42.059 -0.427 0.000 1.107 198 L HN 0.011 nan 8.230 nan 0.000 0.487 199 P HA 0.087 nan 4.420 nan 0.000 0.268 199 P C -0.904 176.308 177.300 -0.147 0.000 1.208 199 P CA -0.415 62.615 63.100 -0.116 0.000 0.777 199 P CB 0.394 32.080 31.700 -0.023 0.000 0.875 200 A N 2.217 124.980 122.820 -0.095 0.000 2.548 200 A HA 0.392 4.712 4.320 -0.000 0.000 0.247 200 A C 1.574 179.044 177.584 -0.190 0.000 1.067 200 A CA 0.880 52.830 52.037 -0.144 0.000 0.757 200 A CB -1.450 17.482 19.000 -0.113 0.000 0.996 200 A HN 0.890 nan 8.150 nan 0.000 0.504 201 G N 1.164 109.813 108.800 -0.252 0.000 2.268 201 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 201 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 201 G C 1.001 175.737 174.900 -0.274 0.000 1.010 201 G CA 0.572 45.518 45.100 -0.257 0.000 0.618 201 G HN 1.226 nan 8.290 nan 0.000 0.516 202 V N -0.247 119.464 119.914 -0.340 0.000 2.358 202 V HA 0.264 4.384 4.120 -0.000 0.000 0.246 202 V C 1.125 176.998 176.094 -0.369 0.000 1.047 202 V CA 2.194 64.167 62.300 -0.545 0.000 1.035 202 V CB -0.269 30.926 31.823 -1.046 0.000 0.658 202 V HN 0.589 nan 8.190 nan 0.000 0.452 203 F N 1.030 120.762 119.950 -0.365 0.000 2.529 203 F HA 0.588 5.115 4.527 -0.000 0.000 0.320 203 F C -0.487 175.220 175.800 -0.154 0.000 1.118 203 F CA -0.812 57.016 58.000 -0.286 0.000 0.915 203 F CB 1.209 39.997 39.000 -0.353 0.000 1.161 203 F HN 0.001 nan 8.300 nan 0.000 0.445 204 N N 2.506 120.601 118.700 -1.008 0.000 2.416 204 N HA 0.409 5.149 4.740 -0.000 0.000 0.276 204 N C -1.482 173.597 175.510 -0.718 0.000 1.261 204 N CA -0.669 51.967 53.050 -0.690 0.000 0.790 204 N CB 2.344 40.588 38.487 -0.405 0.000 1.554 204 N HN 0.622 nan 8.380 nan 0.000 0.481 205 T N -1.928 112.392 114.554 -0.390 0.000 2.932 205 T HA 0.795 5.145 4.350 -0.000 0.000 0.289 205 T C -0.262 174.323 174.700 -0.190 0.000 1.039 205 T CA -0.608 61.343 62.100 -0.249 0.000 1.024 205 T CB 1.213 70.034 68.868 -0.078 0.000 1.090 205 T HN 0.366 nan 8.240 nan 0.000 0.496 206 I N 1.909 122.362 120.570 -0.196 0.000 2.619 206 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 206 I C -0.204 175.830 176.117 -0.139 0.000 1.100 206 I CA -0.725 60.484 61.300 -0.152 0.000 1.043 206 I CB 2.641 40.553 38.000 -0.146 0.000 1.239 206 I HN 1.071 nan 8.210 nan 0.000 0.420 207 T N 1.463 115.966 114.554 -0.085 0.000 2.903 207 T HA 0.960 5.310 4.350 -0.000 0.000 0.299 207 T C -0.402 174.279 174.700 -0.033 0.000 1.093 207 T CA -0.794 61.269 62.100 -0.062 0.000 1.002 207 T CB 2.325 71.169 68.868 -0.039 0.000 1.127 207 T HN 1.160 nan 8.240 nan 0.000 0.488 208 G N 0.985 109.774 108.800 -0.018 0.000 2.345 208 G HA2 0.296 4.256 3.960 -0.000 0.000 0.310 208 G HA3 0.296 4.256 3.960 -0.000 0.000 0.310 208 G C -1.476 173.431 174.900 0.011 0.000 1.476 208 G CA -1.306 43.791 45.100 -0.004 0.000 0.978 208 G HN 0.805 nan 8.290 nan 0.000 0.656 209 R N 0.512 121.022 120.500 0.017 0.000 2.421 209 R HA 0.312 4.652 4.340 -0.000 0.000 0.305 209 R C 1.816 178.139 176.300 0.040 0.000 1.039 209 R CA 0.434 56.552 56.100 0.030 0.000 1.003 209 R CB 1.038 31.355 30.300 0.028 0.000 0.959 209 R HN 0.879 nan 8.270 nan 0.000 0.427 210 G N 1.723 110.555 108.800 0.055 0.000 2.503 210 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.221 210 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.221 210 G C 1.331 176.265 174.900 0.057 0.000 1.131 210 G CA 1.210 46.352 45.100 0.070 0.000 0.756 210 G HN 0.659 nan 8.290 nan 0.000 0.572 211 S N -0.345 115.383 115.700 0.047 0.000 2.603 211 S HA 0.105 4.575 4.470 -0.000 0.000 0.229 211 S C 1.557 176.177 174.600 0.032 0.000 0.972 211 S CA 1.334 59.556 58.200 0.036 0.000 0.935 211 S CB -0.008 63.209 63.200 0.029 0.000 0.769 211 S HN 0.660 nan 8.310 nan 0.000 0.536 212 E N 0.450 120.671 120.200 0.035 0.000 2.444 212 E HA 0.266 4.616 4.350 -0.000 0.000 0.209 212 E C 1.516 178.139 176.600 0.039 0.000 0.806 212 E CA 0.547 56.964 56.400 0.029 0.000 1.240 212 E CB 0.249 29.957 29.700 0.014 0.000 1.238 212 E HN 0.738 nan 8.360 nan 0.000 0.591 213 I N -2.790 117.813 120.570 0.055 0.000 4.327 213 I HA 0.439 4.609 4.170 -0.000 0.000 0.331 213 I C 1.864 178.065 176.117 0.140 0.000 1.348 213 I CA -0.061 61.294 61.300 0.092 0.000 1.152 213 I CB 0.482 38.513 38.000 0.051 0.000 1.151 213 I HN -0.037 nan 8.210 nan 0.000 0.410 214 G N 2.132 110.992 108.800 0.099 0.000 2.514 214 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 214 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 214 G C 1.087 176.040 174.900 0.089 0.000 1.198 214 G CA 1.718 46.872 45.100 0.091 0.000 0.780 214 G HN 0.363 nan 8.290 nan 0.000 0.565 215 D N -0.782 119.666 120.400 0.081 0.000 2.144 215 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 215 D C 1.957 178.309 176.300 0.086 0.000 0.984 215 D CA 0.743 54.778 54.000 0.059 0.000 0.834 215 D CB -0.410 40.420 40.800 0.049 0.000 0.955 215 D HN 0.409 nan 8.370 nan 0.000 0.465 216 Y N 1.803 122.136 120.300 0.055 0.000 2.145 216 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 216 Y C 2.241 178.247 175.900 0.177 0.000 1.145 216 Y CA 1.517 59.673 58.100 0.093 0.000 1.148 216 Y CB -0.298 38.209 38.460 0.077 0.000 0.981 216 Y HN 0.039 nan 8.280 nan 0.000 0.507 217 I N -2.688 118.030 120.570 0.246 0.000 2.394 217 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 217 I C 1.685 177.925 176.117 0.204 0.000 1.136 217 I CA 1.418 62.889 61.300 0.285 0.000 1.425 217 I CB -0.785 37.360 38.000 0.242 0.000 1.079 217 I HN 0.043 nan 8.210 nan 0.000 0.425 218 V N 1.371 121.340 119.914 0.092 0.000 2.535 218 V HA -0.095 4.025 4.120 -0.000 0.000 0.246 218 V C 2.373 178.452 176.094 -0.025 0.000 1.045 218 V CA 1.646 63.962 62.300 0.026 0.000 1.058 218 V CB -0.618 31.199 31.823 -0.011 0.000 0.689 218 V HN 0.403 nan 8.190 nan 0.000 0.461 219 E N -1.259 118.909 120.200 -0.054 0.000 2.358 219 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 219 E C 0.859 177.375 176.600 -0.139 0.000 1.010 219 E CA -0.129 56.210 56.400 -0.102 0.000 0.856 219 E CB -0.010 29.622 29.700 -0.114 0.000 0.795 219 E HN 0.542 nan 8.360 nan 0.000 0.504 220 H N 1.403 120.333 119.070 -0.233 0.000 3.094 220 H HA -0.050 4.506 4.556 -0.000 0.000 0.320 220 H C 1.011 176.216 175.328 -0.205 0.000 1.000 220 H CA 0.601 56.504 56.048 -0.242 0.000 1.413 220 H CB 0.922 30.611 29.762 -0.122 0.000 1.405 220 H HN 0.071 nan 8.280 nan 0.000 0.586 221 Q N 3.716 123.452 119.800 -0.106 0.000 2.488 221 Q HA -0.005 4.335 4.340 -0.000 0.000 0.211 221 Q C 1.833 177.850 176.000 0.028 0.000 0.967 221 Q CA 0.871 56.650 55.803 -0.040 0.000 0.926 221 Q CB -0.010 28.673 28.738 -0.092 0.000 0.992 221 Q HN 0.711 nan 8.270 nan 0.000 0.506 222 A N -0.182 122.732 122.820 0.158 0.000 2.067 222 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 222 A C 1.015 178.450 177.584 -0.248 0.000 1.156 222 A CA 0.117 52.103 52.037 -0.085 0.000 0.683 222 A CB 0.183 19.054 19.000 -0.216 0.000 0.808 222 A HN 0.117 nan 8.150 nan 0.000 0.455 223 V N 1.606 121.328 119.914 -0.321 0.000 2.521 223 V HA 0.024 4.144 4.120 -0.000 0.000 0.286 223 V C 0.580 176.613 176.094 -0.102 0.000 1.034 223 V CA 0.486 62.624 62.300 -0.270 0.000 1.045 223 V CB 0.535 32.188 31.823 -0.283 0.000 0.974 223 V HN 0.592 nan 8.190 nan 0.000 0.480 224 N N 3.004 121.685 118.700 -0.031 0.000 2.282 224 N HA 0.274 5.014 4.740 -0.000 0.000 0.185 224 N C -0.555 175.036 175.510 0.135 0.000 1.099 224 N CA 0.109 53.182 53.050 0.038 0.000 0.878 224 N CB 0.626 39.146 38.487 0.055 0.000 0.993 224 N HN 0.580 nan 8.380 nan 0.000 0.481 225 F N 0.757 120.689 119.950 -0.030 0.000 2.639 225 F HA 0.431 4.958 4.527 -0.000 0.000 0.320 225 F C -2.058 173.751 175.800 0.016 0.000 1.128 225 F CA -1.142 56.860 58.000 0.003 0.000 1.037 225 F CB 1.085 40.099 39.000 0.023 0.000 1.288 225 F HN -0.275 nan 8.300 nan 0.000 0.463 226 I N 4.887 125.467 120.570 0.018 0.000 2.330 226 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 226 I C -0.582 175.704 176.117 0.281 0.000 1.001 226 I CA -0.228 61.162 61.300 0.151 0.000 1.193 226 I CB 1.617 39.630 38.000 0.020 0.000 1.345 226 I HN 0.569 nan 8.210 nan 0.000 0.461 227 N N 6.380 125.341 118.700 0.435 0.000 2.518 227 N HA 0.517 5.257 4.740 -0.000 0.000 0.254 227 N C -1.558 174.180 175.510 0.380 0.000 0.979 227 N CA -0.486 52.833 53.050 0.448 0.000 0.930 227 N CB 1.006 39.735 38.487 0.404 0.000 1.152 227 N HN 0.477 nan 8.380 nan 0.000 0.505 228 F N 2.459 122.516 119.950 0.179 0.000 2.565 228 F HA 0.522 5.049 4.527 -0.000 0.000 0.313 228 F C -1.124 174.765 175.800 0.148 0.000 1.091 228 F CA -0.279 57.811 58.000 0.151 0.000 0.915 228 F CB 2.026 41.095 39.000 0.114 0.000 1.208 228 F HN 0.135 nan 8.300 nan 0.000 0.453 229 T N 4.133 118.251 114.554 -0.726 0.000 2.848 229 T HA 0.824 5.173 4.350 -0.000 0.000 0.285 229 T C -0.242 173.821 174.700 -1.062 0.000 0.995 229 T CA -0.240 61.506 62.100 -0.590 0.000 0.970 229 T CB 1.350 70.110 68.868 -0.180 0.000 0.976 229 T HN 1.144 nan 8.240 nan 0.000 0.441 230 G N 1.656 110.053 108.800 -0.672 0.000 2.399 230 G HA2 0.445 4.405 3.960 -0.000 0.000 0.256 230 G HA3 0.445 4.405 3.960 -0.000 0.000 0.256 230 G C -0.641 174.291 174.900 0.053 0.000 1.236 230 G CA -0.272 44.645 45.100 -0.306 0.000 0.914 230 G HN 0.963 nan 8.290 nan 0.000 0.482 231 S N -0.579 115.232 115.700 0.186 0.000 2.585 231 S HA 0.455 4.925 4.470 -0.000 0.000 0.273 231 S C 1.306 176.037 174.600 0.217 0.000 1.339 231 S CA 0.978 59.253 58.200 0.125 0.000 1.028 231 S CB 1.363 64.604 63.200 0.069 0.000 0.906 231 S HN 0.806 nan 8.310 nan 0.000 0.528 232 T N 2.435 117.088 114.554 0.165 0.000 2.788 232 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 232 T C 2.064 176.824 174.700 0.100 0.000 1.044 232 T CA 1.623 63.824 62.100 0.169 0.000 1.139 232 T CB -1.038 67.959 68.868 0.216 0.000 0.867 232 T HN 0.865 nan 8.240 nan 0.000 0.454 233 G N 1.764 110.607 108.800 0.072 0.000 2.421 233 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 233 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 233 G C 1.421 176.323 174.900 0.003 0.000 1.171 233 G CA 0.452 45.568 45.100 0.027 0.000 0.775 233 G HN 0.376 nan 8.290 nan 0.000 0.543 234 I N 1.805 122.391 120.570 0.026 0.000 2.286 234 I HA -0.028 4.142 4.170 -0.000 0.000 0.245 234 I C 3.043 179.010 176.117 -0.249 0.000 1.104 234 I CA 1.181 62.437 61.300 -0.074 0.000 1.397 234 I CB -1.564 36.452 38.000 0.026 0.000 1.072 234 I HN 0.226 nan 8.210 nan 0.000 0.417 235 G N 0.586 109.303 108.800 -0.138 0.000 2.422 235 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 235 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 235 G C 1.539 176.369 174.900 -0.117 0.000 1.146 235 G CA 0.314 45.316 45.100 -0.162 0.000 0.769 235 G HN 0.384 nan 8.290 nan 0.000 0.547 236 E N 0.387 120.551 120.200 -0.060 0.000 2.106 236 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 236 E C 2.735 179.286 176.600 -0.082 0.000 0.984 236 E CA 0.555 56.922 56.400 -0.055 0.000 0.806 236 E CB -0.129 29.550 29.700 -0.034 0.000 0.750 236 E HN 0.399 nan 8.360 nan 0.000 0.458 237 R N 0.385 120.824 120.500 -0.102 0.000 2.092 237 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 237 R C 2.526 178.748 176.300 -0.131 0.000 1.119 237 R CA 0.811 56.850 56.100 -0.102 0.000 0.970 237 R CB -0.187 30.054 30.300 -0.097 0.000 0.864 237 R HN 0.169 nan 8.270 nan 0.000 0.440 238 I N 0.039 120.487 120.570 -0.203 0.000 2.226 238 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 238 I C 2.496 178.526 176.117 -0.145 0.000 1.100 238 I CA 1.427 62.598 61.300 -0.215 0.000 1.374 238 I CB -0.825 36.951 38.000 -0.374 0.000 1.057 238 I HN 0.337 nan 8.210 nan 0.000 0.413 239 G N 1.438 110.165 108.800 -0.123 0.000 2.491 239 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 239 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 239 G C 1.731 176.582 174.900 -0.082 0.000 1.180 239 G CA 0.738 45.784 45.100 -0.090 0.000 0.774 239 G HN 0.351 nan 8.290 nan 0.000 0.562 240 K N -0.243 120.112 120.400 -0.076 0.000 2.097 240 K HA 0.059 4.379 4.320 -0.000 0.000 0.206 240 K C 2.622 179.181 176.600 -0.068 0.000 1.049 240 K CA 1.185 57.433 56.287 -0.065 0.000 0.933 240 K CB -0.229 32.237 32.500 -0.057 0.000 0.717 240 K HN 0.331 nan 8.250 nan 0.000 0.442 241 M N 0.314 119.868 119.600 -0.077 0.000 2.394 241 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 241 M C 2.290 178.543 176.300 -0.079 0.000 1.073 241 M CA 0.843 56.099 55.300 -0.074 0.000 1.111 241 M CB -0.190 32.366 32.600 -0.074 0.000 1.401 241 M HN 0.156 nan 8.290 nan 0.000 0.448 242 A N 0.628 123.394 122.820 -0.090 0.000 1.969 242 A HA 0.200 4.520 4.320 -0.000 0.000 0.218 242 A C 1.831 179.363 177.584 -0.086 0.000 1.169 242 A CA 1.529 53.507 52.037 -0.098 0.000 0.635 242 A CB -1.034 17.892 19.000 -0.123 0.000 0.810 242 A HN 0.578 nan 8.150 nan 0.000 0.445 243 G N 0.044 108.798 108.800 -0.075 0.000 2.602 243 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.310 243 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.310 243 G C 1.054 175.915 174.900 -0.065 0.000 1.183 243 G CA 1.361 46.423 45.100 -0.064 0.000 0.979 243 G HN 1.274 nan 8.290 nan 0.000 0.545 244 M N 0.318 119.882 119.600 -0.059 0.000 2.428 244 M HA 0.456 4.936 4.480 -0.000 0.000 0.239 244 M C 0.969 177.230 176.300 -0.066 0.000 1.121 244 M CA 0.080 55.347 55.300 -0.055 0.000 1.019 244 M CB 0.200 32.776 32.600 -0.040 0.000 1.485 244 M HN 0.310 nan 8.290 nan 0.000 0.484 245 R N 2.966 123.416 120.500 -0.084 0.000 2.594 245 R HA 0.349 4.689 4.340 -0.000 0.000 0.272 245 R C -2.236 173.956 176.300 -0.179 0.000 1.074 245 R CA -1.496 54.541 56.100 -0.104 0.000 1.105 245 R CB -0.123 30.116 30.300 -0.103 0.000 1.008 245 R HN 0.143 nan 8.270 nan 0.000 0.472 246 P HA 0.118 nan 4.420 nan 0.000 0.272 246 P C -0.478 176.273 177.300 -0.915 0.000 1.223 246 P CA 0.101 62.955 63.100 -0.410 0.000 0.784 246 P CB 0.615 32.191 31.700 -0.206 0.000 0.923 247 I N -1.580 118.507 120.570 -0.805 0.000 2.913 247 I HA 0.695 4.865 4.170 -0.000 0.000 0.302 247 I C -1.352 174.601 176.117 -0.273 0.000 1.246 247 I CA -1.728 59.175 61.300 -0.662 0.000 1.010 247 I CB 2.443 40.280 38.000 -0.272 0.000 1.259 247 I HN 0.176 nan 8.210 nan 0.000 0.434 248 M N 5.922 125.543 119.600 0.035 0.000 2.197 248 M HA 0.656 5.136 4.480 -0.000 0.000 0.301 248 M C -2.226 174.211 176.300 0.229 0.000 0.987 248 M CA -0.214 55.233 55.300 0.244 0.000 0.921 248 M CB 1.717 34.589 32.600 0.452 0.000 1.569 248 M HN 0.635 nan 8.290 nan 0.000 0.431 249 L N 4.518 125.854 121.223 0.189 0.000 2.409 249 L HA 0.943 5.283 4.340 -0.000 0.000 0.272 249 L C -0.863 176.118 176.870 0.186 0.000 0.980 249 L CA -0.965 54.024 54.840 0.247 0.000 0.826 249 L CB 2.060 44.241 42.059 0.204 0.000 1.268 249 L HN 0.844 nan 8.230 nan 0.000 0.407 250 A N 4.624 127.562 122.820 0.197 0.000 2.311 250 A HA 0.856 5.176 4.320 -0.000 0.000 0.306 250 A C -0.594 177.082 177.584 0.153 0.000 1.189 250 A CA -0.334 51.800 52.037 0.162 0.000 0.791 250 A CB 0.907 20.068 19.000 0.269 0.000 1.172 250 A HN 0.686 nan 8.150 nan 0.000 0.481 251 L N 2.019 123.334 121.223 0.153 0.000 2.777 251 L HA 0.768 5.108 4.340 -0.000 0.000 0.241 251 L C 1.298 178.246 176.870 0.130 0.000 1.854 251 L CA -0.956 53.983 54.840 0.165 0.000 2.070 251 L CB -0.026 42.162 42.059 0.215 0.000 2.441 251 L HN 0.681 nan 8.230 nan 0.000 0.587 252 G N -1.381 107.498 108.800 0.132 0.000 2.651 252 G HA2 0.509 4.469 3.960 -0.000 0.000 0.260 252 G HA3 0.509 4.469 3.960 -0.000 0.000 0.260 252 G C -0.583 174.227 174.900 -0.150 0.000 1.216 252 G CA 0.246 45.321 45.100 -0.040 0.000 0.913 252 G HN 0.762 nan 8.290 nan 0.000 0.535 253 G N -1.339 107.220 108.800 -0.402 0.000 2.704 253 G HA2 0.508 4.468 3.960 -0.000 0.000 0.293 253 G HA3 0.508 4.468 3.960 -0.000 0.000 0.293 253 G C -1.073 173.590 174.900 -0.395 0.000 1.421 253 G CA -0.665 44.260 45.100 -0.293 0.000 0.870 253 G HN 0.609 nan 8.290 nan 0.000 0.492 254 K N 1.115 121.432 120.400 -0.138 0.000 3.301 254 K HA 0.283 4.603 4.320 -0.000 0.000 0.170 254 K C -0.768 175.867 176.600 0.057 0.000 1.061 254 K CA -0.506 55.775 56.287 -0.011 0.000 0.807 254 K CB -0.028 32.574 32.500 0.170 0.000 0.889 254 K HN 0.382 nan 8.250 nan 0.000 0.564 255 D N 1.310 121.732 120.400 0.037 0.000 2.487 255 D HA -0.036 4.604 4.640 -0.000 0.000 0.243 255 D C -0.068 176.257 176.300 0.041 0.000 1.154 255 D CA 0.568 54.599 54.000 0.052 0.000 0.876 255 D CB 0.936 41.769 40.800 0.056 0.000 1.161 255 D HN 0.477 nan 8.370 nan 0.000 0.478 256 S N 0.459 116.188 115.700 0.049 0.000 2.554 256 S HA 0.680 5.150 4.470 -0.000 0.000 0.278 256 S C -0.241 174.398 174.600 0.065 0.000 1.242 256 S CA -1.068 57.156 58.200 0.040 0.000 1.051 256 S CB 1.888 65.108 63.200 0.032 0.000 0.986 256 S HN 0.449 nan 8.310 nan 0.000 0.502 257 A N 3.408 126.281 122.820 0.089 0.000 2.267 257 A HA 0.650 4.970 4.320 -0.000 0.000 0.315 257 A C -0.315 177.371 177.584 0.169 0.000 1.297 257 A CA -0.823 51.329 52.037 0.191 0.000 0.865 257 A CB -0.073 19.068 19.000 0.235 0.000 1.165 257 A HN 0.880 nan 8.150 nan 0.000 0.513 258 I N 3.096 123.764 120.570 0.163 0.000 2.315 258 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 258 I C -0.600 175.628 176.117 0.185 0.000 1.006 258 I CA -0.531 60.839 61.300 0.116 0.000 1.265 258 I CB 1.733 39.763 38.000 0.050 0.000 1.387 258 I HN 0.308 nan 8.210 nan 0.000 0.475 259 V N 7.552 127.549 119.914 0.139 0.000 2.334 259 V HA 0.375 4.495 4.120 -0.000 0.000 0.281 259 V C 0.321 176.469 176.094 0.090 0.000 1.016 259 V CA -0.607 61.779 62.300 0.143 0.000 0.832 259 V CB 1.024 32.890 31.823 0.072 0.000 0.999 259 V HN 0.506 nan 8.190 nan 0.000 0.439 260 L N 2.880 124.160 121.223 0.095 0.000 2.468 260 L HA 0.425 4.765 4.340 -0.000 0.000 0.254 260 L C 1.610 178.516 176.870 0.060 0.000 1.171 260 L CA -0.460 54.419 54.840 0.065 0.000 0.809 260 L CB 0.729 42.822 42.059 0.057 0.000 1.155 260 L HN 0.607 nan 8.230 nan 0.000 0.473 261 E N 0.664 120.892 120.200 0.047 0.000 2.209 261 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 261 E C 0.601 177.229 176.600 0.047 0.000 0.993 261 E CA 1.281 57.706 56.400 0.041 0.000 0.819 261 E CB -0.032 29.688 29.700 0.034 0.000 0.745 261 E HN 0.658 nan 8.360 nan 0.000 0.477 262 D N 0.306 120.740 120.400 0.057 0.000 2.336 262 D HA 0.089 4.729 4.640 -0.000 0.000 0.228 262 D C 0.241 176.591 176.300 0.083 0.000 1.120 262 D CA -0.128 53.911 54.000 0.065 0.000 0.839 262 D CB 0.025 40.865 40.800 0.067 0.000 0.932 262 D HN -0.045 nan 8.370 nan 0.000 0.509 263 A N 0.747 123.620 122.820 0.089 0.000 2.386 263 A HA 0.187 4.507 4.320 -0.000 0.000 0.248 263 A C 0.094 177.735 177.584 0.094 0.000 1.082 263 A CA -0.399 51.710 52.037 0.120 0.000 0.789 263 A CB 0.464 19.549 19.000 0.141 0.000 1.025 263 A HN 0.141 nan 8.150 nan 0.000 0.490 264 D N 2.135 122.605 120.400 0.116 0.000 2.393 264 D HA 0.217 4.857 4.640 -0.000 0.000 0.232 264 D C 0.949 177.275 176.300 0.043 0.000 1.192 264 D CA -0.104 53.945 54.000 0.081 0.000 0.882 264 D CB 0.154 41.016 40.800 0.102 0.000 1.038 264 D HN 0.417 nan 8.370 nan 0.000 0.499 265 L N 2.713 123.943 121.223 0.012 0.000 2.131 265 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 265 L C 2.102 178.943 176.870 -0.049 0.000 1.092 265 L CA 0.952 55.773 54.840 -0.030 0.000 0.759 265 L CB -0.242 41.805 42.059 -0.020 0.000 0.903 265 L HN 0.419 nan 8.230 nan 0.000 0.435 266 E N 1.026 121.214 120.200 -0.019 0.000 2.072 266 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 266 E C 2.159 178.745 176.600 -0.024 0.000 0.985 266 E CA 1.088 57.477 56.400 -0.020 0.000 0.801 266 E CB -0.241 29.458 29.700 -0.002 0.000 0.750 266 E HN 0.399 nan 8.360 nan 0.000 0.452 267 L N -0.015 121.210 121.223 0.004 0.000 2.046 267 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 267 L C 2.076 178.921 176.870 -0.042 0.000 1.077 267 L CA 1.969 56.830 54.840 0.035 0.000 0.747 267 L CB -0.591 41.534 42.059 0.110 0.000 0.896 267 L HN 0.173 nan 8.230 nan 0.000 0.432 268 T N 0.230 114.677 114.554 -0.179 0.000 2.674 268 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 268 T C 1.934 176.343 174.700 -0.486 0.000 1.039 268 T CA 1.458 63.166 62.100 -0.655 0.000 1.150 268 T CB -0.483 68.035 68.868 -0.584 0.000 0.864 268 T HN 0.578 nan 8.240 nan 0.000 0.427 269 A N 1.443 124.117 122.820 -0.243 0.000 1.902 269 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 269 A C 2.280 179.811 177.584 -0.088 0.000 1.181 269 A CA 1.624 53.575 52.037 -0.144 0.000 0.623 269 A CB -0.476 18.474 19.000 -0.083 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.443 270 K N -0.401 119.960 120.400 -0.064 0.000 2.026 270 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 270 K C 1.899 178.500 176.600 0.002 0.000 1.048 270 K CA 1.462 57.740 56.287 -0.016 0.000 0.929 270 K CB -0.209 32.293 32.500 0.004 0.000 0.713 270 K HN 0.490 nan 8.250 nan 0.000 0.439 271 N N 0.757 119.454 118.700 -0.006 0.000 2.142 271 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 271 N C 1.921 177.452 175.510 0.034 0.000 1.023 271 N CA 1.001 54.087 53.050 0.060 0.000 0.852 271 N CB -0.031 38.588 38.487 0.220 0.000 0.998 271 N HN 0.171 nan 8.380 nan 0.000 0.424 272 I N 1.255 121.787 120.570 -0.063 0.000 2.286 272 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 272 I C 2.136 178.269 176.117 0.026 0.000 1.115 272 I CA 0.730 62.001 61.300 -0.048 0.000 1.392 272 I CB -0.065 37.856 38.000 -0.131 0.000 1.065 272 I HN 0.100 nan 8.210 nan 0.000 0.418 273 I N 0.828 121.443 120.570 0.076 0.000 2.252 273 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 273 I C 2.827 179.069 176.117 0.207 0.000 1.102 273 I CA 1.549 62.979 61.300 0.217 0.000 1.385 273 I CB -1.160 36.918 38.000 0.129 0.000 1.064 273 I HN 0.160 nan 8.210 nan 0.000 0.414 274 A N 0.730 123.612 122.820 0.103 0.000 1.898 274 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 274 A C 2.437 180.053 177.584 0.054 0.000 1.181 274 A CA 1.819 53.904 52.037 0.081 0.000 0.620 274 A CB -1.255 17.776 19.000 0.051 0.000 0.819 274 A HN 0.428 nan 8.150 nan 0.000 0.442 275 G N -1.006 107.809 108.800 0.024 0.000 2.421 275 G HA2 0.140 4.100 3.960 -0.000 0.000 0.217 275 G HA3 0.140 4.100 3.960 -0.000 0.000 0.217 275 G C 1.593 176.442 174.900 -0.084 0.000 1.143 275 G CA 1.189 46.281 45.100 -0.014 0.000 0.784 275 G HN 0.744 nan 8.290 nan 0.000 0.541 276 A N 0.047 122.768 122.820 -0.165 0.000 1.935 276 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 276 A C 1.798 179.006 177.584 -0.628 0.000 1.178 276 A CA 0.733 52.500 52.037 -0.450 0.000 0.640 276 A CB -0.180 18.422 19.000 -0.663 0.000 0.825 276 A HN 0.269 nan 8.150 nan 0.000 0.447 277 F N 0.204 120.143 119.950 -0.018 0.000 2.721 277 F HA 0.290 4.817 4.527 -0.000 0.000 0.301 277 F C 1.652 177.446 175.800 -0.010 0.000 1.096 277 F CA -0.475 57.512 58.000 -0.021 0.000 1.308 277 F CB -0.307 38.682 39.000 -0.019 0.000 1.086 277 F HN 0.166 nan 8.300 nan 0.000 0.587 278 G N -0.530 108.333 108.800 0.105 0.000 2.305 278 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.243 278 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.243 278 G C -0.037 174.935 174.900 0.121 0.000 1.288 278 G CA 0.043 45.201 45.100 0.096 0.000 0.901 278 G HN 0.412 nan 8.290 nan 0.000 0.516 279 Y N 1.622 121.899 120.300 -0.037 0.000 3.491 279 Y HA -0.338 4.212 4.550 -0.000 0.000 0.215 279 Y C 1.414 177.279 175.900 -0.059 0.000 1.219 279 Y CA 0.776 58.832 58.100 -0.072 0.000 1.485 279 Y CB -1.863 36.502 38.460 -0.159 0.000 1.450 279 Y HN 1.211 nan 8.280 nan 0.000 0.603 280 S N -2.007 113.702 115.700 0.016 0.000 3.521 280 S HA -0.124 4.346 4.470 -0.000 0.000 0.328 280 S C 1.598 176.135 174.600 -0.104 0.000 1.165 280 S CA 1.505 59.696 58.200 -0.016 0.000 0.941 280 S CB -1.709 61.459 63.200 -0.054 0.000 0.951 280 S HN 2.349 nan 8.310 nan 0.000 0.539 281 G N 0.091 108.797 108.800 -0.155 0.000 2.159 281 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.256 281 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.256 281 G C -0.065 174.537 174.900 -0.498 0.000 0.977 281 G CA 0.401 45.349 45.100 -0.254 0.000 0.652 281 G HN 0.691 nan 8.290 nan 0.000 0.531 282 Q N 0.319 119.720 119.800 -0.665 0.000 2.938 282 Q HA 0.351 4.691 4.340 -0.000 0.000 0.343 282 Q C 0.646 175.973 176.000 -1.122 0.000 1.185 282 Q CA 0.171 55.211 55.803 -1.272 0.000 0.939 282 Q CB 0.189 28.365 28.738 -0.935 0.000 1.480 282 Q HN 0.475 nan 8.270 nan 0.000 0.442 283 R N -0.682 119.311 120.500 -0.845 0.000 2.686 283 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 283 R C 0.099 176.398 176.300 -0.001 0.000 0.978 283 R CA -0.603 55.356 56.100 -0.235 0.000 0.897 283 R CB 1.280 31.562 30.300 -0.029 0.000 1.192 283 R HN 0.293 nan 8.270 nan 0.000 0.457 284 C N 0.157 119.608 119.300 0.252 0.000 2.432 284 C HA -0.075 4.385 4.460 -0.000 0.000 0.280 284 C C 2.129 177.224 174.990 0.175 0.000 1.353 284 C CA 1.018 60.212 59.018 0.293 0.000 1.766 284 C CB -0.750 27.159 27.740 0.280 0.000 1.924 284 C HN 0.875 nan 8.230 nan 0.000 0.509 285 T N -1.096 113.548 114.554 0.149 0.000 3.188 285 T HA 0.460 4.810 4.350 -0.000 0.000 0.250 285 T C 0.499 175.231 174.700 0.053 0.000 1.077 285 T CA 0.427 62.603 62.100 0.126 0.000 0.967 285 T CB -0.213 68.741 68.868 0.143 0.000 1.006 285 T HN 0.443 nan 8.240 nan 0.000 0.552 286 A N 1.263 124.093 122.820 0.017 0.000 2.445 286 A HA 0.531 4.851 4.320 -0.000 0.000 0.242 286 A C 0.514 178.080 177.584 -0.029 0.000 1.075 286 A CA -0.518 51.498 52.037 -0.036 0.000 0.777 286 A CB 0.149 19.087 19.000 -0.103 0.000 1.013 286 A HN 0.372 nan 8.150 nan 0.000 0.493 287 V N 2.984 122.873 119.914 -0.042 0.000 2.458 287 V HA -0.003 4.117 4.120 -0.000 0.000 0.287 287 V C 1.063 177.112 176.094 -0.075 0.000 1.009 287 V CA 1.021 63.304 62.300 -0.028 0.000 1.091 287 V CB 0.135 31.942 31.823 -0.027 0.000 0.960 287 V HN 0.976 nan 8.190 nan 0.000 0.476 288 K N 4.896 125.269 120.400 -0.045 0.000 2.402 288 K HA 0.269 4.589 4.320 -0.000 0.000 0.204 288 K C 0.292 176.859 176.600 -0.055 0.000 1.056 288 K CA -0.176 56.075 56.287 -0.060 0.000 1.069 288 K CB 0.585 33.066 32.500 -0.031 0.000 0.888 288 K HN 0.795 nan 8.250 nan 0.000 0.546 289 R N -0.811 119.662 120.500 -0.045 0.000 2.633 289 R HA 0.269 4.609 4.340 -0.000 0.000 0.256 289 R C -1.525 174.756 176.300 -0.031 0.000 1.131 289 R CA -0.738 55.328 56.100 -0.057 0.000 0.994 289 R CB 0.881 31.122 30.300 -0.098 0.000 1.261 289 R HN -0.234 nan 8.270 nan 0.000 0.446 290 V N 4.460 124.356 119.914 -0.030 0.000 2.370 290 V HA 0.357 4.477 4.120 -0.000 0.000 0.279 290 V C 0.075 176.162 176.094 -0.013 0.000 1.029 290 V CA -0.671 61.623 62.300 -0.009 0.000 0.870 290 V CB 1.403 33.216 31.823 -0.016 0.000 0.984 290 V HN 0.578 nan 8.190 nan 0.000 0.451 291 L N 6.129 127.356 121.223 0.006 0.000 2.321 291 L HA 0.525 4.865 4.340 -0.000 0.000 0.272 291 L C -0.379 176.503 176.870 0.020 0.000 1.050 291 L CA -0.342 54.499 54.840 0.003 0.000 0.893 291 L CB 1.422 43.486 42.059 0.007 0.000 1.272 291 L HN 0.457 nan 8.230 nan 0.000 0.435 292 V N 4.849 124.770 119.914 0.011 0.000 2.459 292 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 292 V C 0.488 176.591 176.094 0.016 0.000 1.029 292 V CA -0.656 61.654 62.300 0.016 0.000 0.874 292 V CB 1.815 33.640 31.823 0.003 0.000 0.985 292 V HN 0.566 nan 8.190 nan 0.000 0.438 293 M N 4.106 123.719 119.600 0.023 0.000 2.251 293 M HA 0.065 4.545 4.480 -0.000 0.000 0.343 293 M C 1.330 177.640 176.300 0.016 0.000 1.245 293 M CA 0.531 55.844 55.300 0.021 0.000 1.061 293 M CB 0.220 32.836 32.600 0.026 0.000 1.723 293 M HN 0.949 nan 8.290 nan 0.000 0.449 294 E N 2.516 122.725 120.200 0.015 0.000 2.086 294 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 294 E C 1.711 178.318 176.600 0.012 0.000 1.012 294 E CA 2.653 59.060 56.400 0.013 0.000 0.812 294 E CB -0.019 29.689 29.700 0.013 0.000 0.743 294 E HN 0.783 nan 8.360 nan 0.000 0.453 295 S N -0.825 114.883 115.700 0.014 0.000 2.440 295 S HA -0.157 4.313 4.470 -0.000 0.000 0.238 295 S C 1.869 176.476 174.600 0.012 0.000 1.010 295 S CA 1.355 59.563 58.200 0.013 0.000 0.972 295 S CB -0.467 62.742 63.200 0.015 0.000 0.774 295 S HN 0.318 nan 8.310 nan 0.000 0.501 296 V N -2.576 117.345 119.914 0.012 0.000 3.528 296 V HA 0.678 4.798 4.120 -0.000 0.000 0.294 296 V C 2.264 178.359 176.094 0.001 0.000 1.404 296 V CA 0.126 62.431 62.300 0.008 0.000 1.065 296 V CB -0.750 31.081 31.823 0.013 0.000 0.904 296 V HN 0.427 nan 8.190 nan 0.000 0.435 297 A N 1.402 124.224 122.820 0.003 0.000 1.865 297 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 297 A C 1.901 179.483 177.584 -0.004 0.000 1.191 297 A CA 2.444 54.480 52.037 -0.001 0.000 0.623 297 A CB -0.813 18.189 19.000 0.003 0.000 0.826 297 A HN 0.534 nan 8.150 nan 0.000 0.444 298 D N -0.774 119.625 120.400 -0.001 0.000 2.104 298 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 298 D C 1.904 178.199 176.300 -0.007 0.000 0.994 298 D CA 1.594 55.592 54.000 -0.003 0.000 0.830 298 D CB -0.403 40.397 40.800 -0.000 0.000 0.959 298 D HN 0.745 nan 8.370 nan 0.000 0.452 299 E N -0.107 120.089 120.200 -0.007 0.000 2.047 299 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 299 E C 2.153 178.742 176.600 -0.018 0.000 0.987 299 E CA 0.392 56.786 56.400 -0.010 0.000 0.799 299 E CB -0.072 29.624 29.700 -0.006 0.000 0.752 299 E HN 0.067 nan 8.360 nan 0.000 0.449 300 L N 0.600 121.810 121.223 -0.021 0.000 2.012 300 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 300 L C 2.315 179.166 176.870 -0.032 0.000 1.073 300 L CA 1.439 56.257 54.840 -0.036 0.000 0.748 300 L CB -0.618 41.414 42.059 -0.044 0.000 0.891 300 L HN 0.040 nan 8.230 nan 0.000 0.431 301 V N -0.114 119.787 119.914 -0.022 0.000 2.324 301 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 301 V C 2.695 178.777 176.094 -0.020 0.000 1.060 301 V CA 1.959 64.249 62.300 -0.016 0.000 1.042 301 V CB -0.695 31.123 31.823 -0.008 0.000 0.650 301 V HN 0.575 nan 8.190 nan 0.000 0.450 302 E N 0.476 120.663 120.200 -0.021 0.000 2.106 302 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 302 E C 2.163 178.747 176.600 -0.027 0.000 0.984 302 E CA 1.448 57.834 56.400 -0.023 0.000 0.806 302 E CB -0.219 29.470 29.700 -0.019 0.000 0.750 302 E HN 0.547 nan 8.360 nan 0.000 0.458 303 K N -0.103 120.281 120.400 -0.028 0.000 2.057 303 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 303 K C 1.966 178.547 176.600 -0.033 0.000 1.050 303 K CA 1.237 57.505 56.287 -0.031 0.000 0.935 303 K CB -0.179 32.300 32.500 -0.035 0.000 0.715 303 K HN 0.154 nan 8.250 nan 0.000 0.439 304 I N 1.392 121.945 120.570 -0.029 0.000 2.127 304 I HA -0.260 3.910 4.170 -0.000 0.000 0.241 304 I C 2.391 178.490 176.117 -0.029 0.000 1.075 304 I CA 1.328 62.620 61.300 -0.014 0.000 1.334 304 I CB -1.167 36.839 38.000 0.009 0.000 1.040 304 I HN 0.193 nan 8.210 nan 0.000 0.405 305 R N 0.619 121.098 120.500 -0.036 0.000 2.113 305 R HA -0.248 4.092 4.340 -0.000 0.000 0.244 305 R C 2.294 178.553 176.300 -0.070 0.000 1.142 305 R CA 2.169 58.234 56.100 -0.058 0.000 0.953 305 R CB -0.286 29.983 30.300 -0.051 0.000 0.860 305 R HN 0.468 nan 8.270 nan 0.000 0.438 306 E N 0.244 120.411 120.200 -0.055 0.000 2.077 306 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 306 E C 1.796 178.359 176.600 -0.063 0.000 0.989 306 E CA 1.363 57.731 56.400 -0.054 0.000 0.800 306 E CB 0.151 29.827 29.700 -0.040 0.000 0.746 306 E HN 0.287 nan 8.360 nan 0.000 0.452 307 K N -0.177 120.187 120.400 -0.059 0.000 2.155 307 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 307 K C 2.011 178.545 176.600 -0.110 0.000 1.052 307 K CA 0.699 56.948 56.287 -0.063 0.000 0.948 307 K CB 0.131 32.609 32.500 -0.038 0.000 0.728 307 K HN 0.001 nan 8.250 nan 0.000 0.448 308 V N 1.686 121.507 119.914 -0.154 0.000 2.490 308 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 308 V C 1.895 177.849 176.094 -0.234 0.000 1.061 308 V CA 1.559 63.684 62.300 -0.291 0.000 1.064 308 V CB -0.343 31.282 31.823 -0.330 0.000 0.670 308 V HN 0.310 nan 8.190 nan 0.000 0.461 309 L N -0.185 120.947 121.223 -0.152 0.000 2.465 309 L HA 0.005 4.345 4.340 -0.000 0.000 0.224 309 L C 2.298 179.110 176.870 -0.097 0.000 1.145 309 L CA 0.990 55.759 54.840 -0.118 0.000 0.834 309 L CB -0.542 41.463 42.059 -0.090 0.000 0.944 309 L HN 0.338 nan 8.230 nan 0.000 0.451 310 A N -0.379 122.385 122.820 -0.093 0.000 2.238 310 A HA 0.224 4.544 4.320 -0.000 0.000 0.210 310 A C 0.999 178.540 177.584 -0.072 0.000 1.179 310 A CA -0.208 51.787 52.037 -0.069 0.000 0.827 310 A CB -0.107 18.862 19.000 -0.053 0.000 0.856 310 A HN 0.217 nan 8.150 nan 0.000 0.488 311 L N 2.200 123.360 121.223 -0.107 0.000 2.410 311 L HA 0.159 4.499 4.340 -0.000 0.000 0.273 311 L C 0.907 177.733 176.870 -0.073 0.000 1.152 311 L CA -0.337 54.443 54.840 -0.101 0.000 0.855 311 L CB 0.791 42.742 42.059 -0.180 0.000 1.129 311 L HN 0.384 nan 8.230 nan 0.000 0.463 312 T N 1.534 116.063 114.554 -0.041 0.000 2.913 312 T HA 0.623 4.973 4.350 -0.000 0.000 0.297 312 T C -0.222 174.466 174.700 -0.021 0.000 1.029 312 T CA -0.569 61.515 62.100 -0.026 0.000 1.104 312 T CB 1.210 70.072 68.868 -0.010 0.000 0.964 312 T HN 0.347 nan 8.240 nan 0.000 0.532 313 I N 1.485 122.045 120.570 -0.017 0.000 2.582 313 I HA 0.692 4.862 4.170 -0.000 0.000 0.292 313 I C 0.721 176.839 176.117 0.002 0.000 1.066 313 I CA -0.607 60.687 61.300 -0.010 0.000 1.053 313 I CB 1.880 39.866 38.000 -0.023 0.000 1.241 313 I HN 1.114 nan 8.210 nan 0.000 0.421 314 G N 4.791 113.599 108.800 0.013 0.000 2.439 314 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.186 314 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.186 314 G C -1.578 173.341 174.900 0.031 0.000 1.260 314 G CA -0.843 44.267 45.100 0.018 0.000 1.020 314 G HN 0.568 nan 8.290 nan 0.000 0.470 315 N N 1.647 120.366 118.700 0.031 0.000 2.515 315 N HA 0.484 5.224 4.740 -0.000 0.000 0.279 315 N C -1.738 173.804 175.510 0.053 0.000 1.164 315 N CA -1.371 51.703 53.050 0.040 0.000 0.982 315 N CB 2.102 40.608 38.487 0.031 0.000 1.170 315 N HN 0.134 nan 8.380 nan 0.000 0.474 316 P HA -0.241 nan 4.420 nan 0.000 0.215 316 P C 1.130 178.486 177.300 0.094 0.000 1.157 316 P CA 1.337 64.490 63.100 0.087 0.000 0.874 316 P CB 0.096 31.852 31.700 0.093 0.000 0.790 317 E N -0.354 119.886 120.200 0.067 0.000 2.268 317 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 317 E C 0.495 177.112 176.600 0.028 0.000 0.995 317 E CA 1.274 57.696 56.400 0.037 0.000 0.836 317 E CB -0.957 28.736 29.700 -0.011 0.000 0.763 317 E HN 0.278 nan 8.360 nan 0.000 0.491 318 D N 1.496 121.917 120.400 0.035 0.000 2.328 318 D HA 0.012 4.652 4.640 -0.000 0.000 0.221 318 D C -0.276 176.050 176.300 0.042 0.000 1.072 318 D CA 0.136 54.152 54.000 0.027 0.000 0.850 318 D CB -0.027 40.783 40.800 0.017 0.000 0.922 318 D HN 0.089 nan 8.370 nan 0.000 0.516 319 D N 0.302 120.741 120.400 0.066 0.000 2.772 319 D HA -0.173 4.467 4.640 -0.000 0.000 0.233 319 D C 0.187 176.515 176.300 0.046 0.000 1.143 319 D CA 0.731 54.770 54.000 0.065 0.000 0.700 319 D CB -1.310 39.531 40.800 0.068 0.000 1.076 319 D HN 0.301 nan 8.370 nan 0.000 0.430 320 A N 0.334 123.181 122.820 0.045 0.000 2.445 320 A HA 0.124 4.444 4.320 -0.000 0.000 0.242 320 A C 1.383 178.994 177.584 0.045 0.000 1.075 320 A CA 0.075 52.134 52.037 0.036 0.000 0.777 320 A CB 0.570 19.589 19.000 0.032 0.000 1.013 320 A HN 0.017 nan 8.150 nan 0.000 0.493 321 D N 0.356 120.776 120.400 0.034 0.000 2.117 321 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 321 D C 0.438 176.779 176.300 0.070 0.000 0.987 321 D CA 1.408 55.436 54.000 0.047 0.000 0.829 321 D CB -0.030 40.785 40.800 0.024 0.000 0.961 321 D HN 0.374 nan 8.370 nan 0.000 0.460 322 I N 1.997 122.595 120.570 0.047 0.000 2.328 322 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 322 I C 0.594 176.742 176.117 0.051 0.000 1.012 322 I CA -0.237 61.093 61.300 0.052 0.000 1.195 322 I CB 0.912 38.925 38.000 0.020 0.000 1.350 322 I HN -0.160 nan 8.210 nan 0.000 0.464 323 T N 4.511 119.107 114.554 0.070 0.000 2.949 323 T HA 0.667 5.017 4.350 -0.000 0.000 0.287 323 T C -2.776 171.952 174.700 0.047 0.000 1.034 323 T CA -2.309 59.834 62.100 0.071 0.000 1.018 323 T CB 1.704 70.645 68.868 0.121 0.000 1.135 323 T HN 0.149 nan 8.240 nan 0.000 0.532 324 P HA 0.227 nan 4.420 nan 0.000 0.269 324 P C -0.078 177.230 177.300 0.014 0.000 1.209 324 P CA -0.415 62.702 63.100 0.027 0.000 0.776 324 P CB 0.296 32.014 31.700 0.029 0.000 0.876 325 L N 2.568 123.789 121.223 -0.003 0.000 2.476 325 L HA 0.048 4.388 4.340 -0.000 0.000 0.264 325 L C 2.136 178.975 176.870 -0.052 0.000 1.224 325 L CA -0.372 54.451 54.840 -0.029 0.000 0.821 325 L CB -0.116 41.941 42.059 -0.003 0.000 1.101 325 L HN 0.329 nan 8.230 nan 0.000 0.488 326 I N 0.392 120.884 120.570 -0.130 0.000 2.185 326 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 326 I C 0.571 176.583 176.117 -0.176 0.000 1.088 326 I CA 1.784 62.927 61.300 -0.261 0.000 1.347 326 I CB -0.299 37.180 38.000 -0.868 0.000 1.041 326 I HN 0.920 nan 8.210 nan 0.000 0.415 327 D N -4.760 115.563 120.400 -0.129 0.000 2.692 327 D HA 0.158 4.798 4.640 -0.000 0.000 0.290 327 D C 0.583 176.863 176.300 -0.032 0.000 1.281 327 D CA 0.002 53.959 54.000 -0.072 0.000 0.804 327 D CB 0.224 40.976 40.800 -0.080 0.000 1.331 327 D HN -0.187 nan 8.370 nan 0.000 0.432 328 T N -0.430 114.113 114.554 -0.018 0.000 2.684 328 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 328 T C 1.543 176.254 174.700 0.018 0.000 1.036 328 T CA 1.696 63.796 62.100 0.000 0.000 1.148 328 T CB -0.268 68.597 68.868 -0.004 0.000 0.863 328 T HN 0.408 nan 8.240 nan 0.000 0.436 329 K N 0.741 121.148 120.400 0.011 0.000 2.044 329 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 329 K C 2.698 179.339 176.600 0.069 0.000 1.049 329 K CA 1.720 58.025 56.287 0.029 0.000 0.927 329 K CB -0.180 32.320 32.500 0.001 0.000 0.713 329 K HN 0.233 nan 8.250 nan 0.000 0.443 330 S N 0.320 116.050 115.700 0.050 0.000 2.355 330 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 330 S C 2.040 176.728 174.600 0.147 0.000 1.031 330 S CA 1.153 59.418 58.200 0.108 0.000 0.993 330 S CB -0.200 63.032 63.200 0.053 0.000 0.859 330 S HN 0.474 nan 8.310 nan 0.000 0.453 331 A N 1.955 124.825 122.820 0.083 0.000 1.930 331 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 331 A C 1.792 179.423 177.584 0.078 0.000 1.175 331 A CA 1.621 53.701 52.037 0.072 0.000 0.627 331 A CB -0.618 18.406 19.000 0.040 0.000 0.815 331 A HN 0.327 nan 8.150 nan 0.000 0.443 332 D N -1.588 118.862 120.400 0.084 0.000 2.097 332 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 332 D C 1.695 178.062 176.300 0.112 0.000 0.989 332 D CA 1.593 55.642 54.000 0.081 0.000 0.827 332 D CB -0.503 40.344 40.800 0.078 0.000 0.966 332 D HN 0.641 nan 8.370 nan 0.000 0.456 333 Y N 1.136 121.457 120.300 0.034 0.000 2.181 333 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 333 Y C 2.146 178.078 175.900 0.053 0.000 1.146 333 Y CA 1.181 59.306 58.100 0.042 0.000 1.164 333 Y CB -0.122 38.365 38.460 0.046 0.000 0.982 333 Y HN -0.201 nan 8.280 nan 0.000 0.515 334 V N 0.825 120.738 119.914 -0.001 0.000 2.343 334 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 334 V C 2.325 178.380 176.094 -0.066 0.000 1.051 334 V CA 2.310 64.573 62.300 -0.061 0.000 1.036 334 V CB -0.673 31.193 31.823 0.073 0.000 0.654 334 V HN 0.518 nan 8.190 nan 0.000 0.451 335 E N 0.268 120.460 120.200 -0.013 0.000 2.150 335 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 335 E C 2.222 178.806 176.600 -0.027 0.000 0.985 335 E CA 1.207 57.609 56.400 0.004 0.000 0.814 335 E CB -0.349 29.365 29.700 0.023 0.000 0.752 335 E HN 0.587 nan 8.360 nan 0.000 0.466 336 G N 0.950 109.710 108.800 -0.068 0.000 2.422 336 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 336 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 336 G C 1.529 176.351 174.900 -0.130 0.000 1.140 336 G CA 0.330 45.382 45.100 -0.080 0.000 0.775 336 G HN 0.200 nan 8.290 nan 0.000 0.545 337 L N -0.102 120.995 121.223 -0.210 0.000 2.109 337 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 337 L C 2.780 179.551 176.870 -0.164 0.000 1.086 337 L CA 0.411 55.121 54.840 -0.217 0.000 0.760 337 L CB -0.194 41.694 42.059 -0.286 0.000 0.910 337 L HN 0.191 nan 8.230 nan 0.000 0.437 338 I N -0.098 120.428 120.570 -0.073 0.000 2.179 338 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 338 I C 2.155 178.257 176.117 -0.026 0.000 1.088 338 I CA 1.101 62.423 61.300 0.037 0.000 1.357 338 I CB -0.355 37.757 38.000 0.187 0.000 1.051 338 I HN 0.335 nan 8.210 nan 0.000 0.409 339 N N 0.699 119.390 118.700 -0.015 0.000 2.166 339 N HA -0.232 4.508 4.740 -0.000 0.000 0.186 339 N C 1.497 176.965 175.510 -0.070 0.000 1.019 339 N CA 1.669 54.711 53.050 -0.014 0.000 0.856 339 N CB -0.516 37.967 38.487 -0.006 0.000 0.993 339 N HN 0.420 nan 8.380 nan 0.000 0.426 340 D N 0.249 120.585 120.400 -0.107 0.000 2.117 340 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 340 D C 1.784 177.982 176.300 -0.171 0.000 0.987 340 D CA 1.372 55.306 54.000 -0.110 0.000 0.829 340 D CB -0.003 40.737 40.800 -0.100 0.000 0.961 340 D HN 0.233 nan 8.370 nan 0.000 0.460 341 A N 0.315 122.940 122.820 -0.324 0.000 1.855 341 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 341 A C 2.175 179.516 177.584 -0.404 0.000 1.191 341 A CA 1.587 53.308 52.037 -0.526 0.000 0.613 341 A CB -1.028 17.270 19.000 -1.170 0.000 0.829 341 A HN 0.402 nan 8.150 nan 0.000 0.442 342 N N -0.325 118.184 118.700 -0.319 0.000 2.084 342 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 342 N C 1.001 176.510 175.510 -0.002 0.000 1.030 342 N CA 1.712 54.766 53.050 0.007 0.000 0.849 342 N CB -0.230 38.369 38.487 0.187 0.000 1.012 342 N HN 0.348 nan 8.380 nan 0.000 0.423 343 D N 0.704 121.089 120.400 -0.026 0.000 2.182 343 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 343 D C 1.367 177.656 176.300 -0.019 0.000 0.986 343 D CA 1.040 55.032 54.000 -0.013 0.000 0.847 343 D CB -0.087 40.704 40.800 -0.015 0.000 0.942 343 D HN 0.365 nan 8.370 nan 0.000 0.467 344 K N -0.686 119.687 120.400 -0.045 0.000 2.459 344 K HA 0.171 4.491 4.320 -0.000 0.000 0.193 344 K C 1.031 177.618 176.600 -0.022 0.000 1.030 344 K CA 0.568 56.834 56.287 -0.035 0.000 1.026 344 K CB 0.695 33.164 32.500 -0.051 0.000 0.809 344 K HN 0.165 nan 8.250 nan 0.000 0.504 345 G N 1.051 109.843 108.800 -0.013 0.000 2.134 345 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.209 345 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.209 345 G C 0.181 175.101 174.900 0.034 0.000 0.993 345 G CA -0.074 45.035 45.100 0.016 0.000 0.669 345 G HN 0.426 nan 8.290 nan 0.000 0.519 346 A N -0.036 122.795 122.820 0.019 0.000 2.406 346 A HA 0.646 4.966 4.320 -0.000 0.000 0.243 346 A C 0.799 178.515 177.584 0.220 0.000 1.082 346 A CA 1.150 53.237 52.037 0.083 0.000 0.786 346 A CB 0.317 19.303 19.000 -0.024 0.000 1.029 346 A HN 0.844 nan 8.150 nan 0.000 0.495 347 T N 2.118 116.802 114.554 0.216 0.000 2.747 347 T HA 0.486 4.836 4.350 -0.000 0.000 0.301 347 T C 0.347 175.140 174.700 0.156 0.000 0.952 347 T CA 0.401 62.598 62.100 0.162 0.000 0.983 347 T CB 0.529 69.445 68.868 0.080 0.000 0.930 347 T HN 0.947 nan 8.240 nan 0.000 0.494 348 A N 3.886 126.741 122.820 0.058 0.000 2.409 348 A HA 0.430 4.750 4.320 -0.000 0.000 0.267 348 A C 1.036 178.493 177.584 -0.212 0.000 1.127 348 A CA -0.409 51.417 52.037 -0.351 0.000 0.795 348 A CB -0.075 18.689 19.000 -0.393 0.000 1.061 348 A HN 0.983 nan 8.150 nan 0.000 0.502 349 L N 2.067 123.149 121.223 -0.236 0.000 2.607 349 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 349 L C 0.359 177.138 176.870 -0.153 0.000 1.123 349 L CA 0.406 55.161 54.840 -0.141 0.000 0.890 349 L CB -0.063 41.938 42.059 -0.097 0.000 1.103 349 L HN 0.697 nan 8.230 nan 0.000 0.468 350 T N -0.995 113.429 114.554 -0.217 0.000 2.901 350 T HA 0.206 4.556 4.350 -0.000 0.000 0.293 350 T C -0.599 173.996 174.700 -0.176 0.000 1.084 350 T CA -0.671 61.321 62.100 -0.180 0.000 1.008 350 T CB 2.596 71.354 68.868 -0.184 0.000 1.170 350 T HN 0.108 nan 8.240 nan 0.000 0.509 351 E N 1.280 121.407 120.200 -0.122 0.000 2.383 351 E HA 0.280 4.630 4.350 -0.000 0.000 0.264 351 E C -0.936 175.612 176.600 -0.086 0.000 1.050 351 E CA -0.381 55.965 56.400 -0.090 0.000 0.896 351 E CB 0.490 30.153 29.700 -0.062 0.000 0.982 351 E HN 0.485 nan 8.360 nan 0.000 0.424 352 I N 3.712 124.249 120.570 -0.055 0.000 2.312 352 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 352 I C 0.192 176.304 176.117 -0.007 0.000 1.031 352 I CA -0.120 61.168 61.300 -0.020 0.000 1.293 352 I CB 0.615 38.630 38.000 0.025 0.000 1.403 352 I HN 0.487 nan 8.210 nan 0.000 0.484 353 K N 7.036 127.433 120.400 -0.005 0.000 2.550 353 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 353 K C -1.325 175.278 176.600 0.005 0.000 0.943 353 K CA -0.844 55.442 56.287 -0.003 0.000 0.806 353 K CB 2.161 34.652 32.500 -0.015 0.000 1.289 353 K HN 0.542 nan 8.250 nan 0.000 0.435 354 R N 2.941 123.447 120.500 0.009 0.000 2.574 354 R HA 0.296 4.636 4.340 -0.000 0.000 0.288 354 R C -1.533 174.772 176.300 0.008 0.000 1.004 354 R CA -0.489 55.618 56.100 0.012 0.000 0.895 354 R CB 1.843 32.154 30.300 0.018 0.000 1.191 354 R HN 0.661 nan 8.270 nan 0.000 0.444 355 E N 2.755 122.959 120.200 0.007 0.000 2.279 355 E HA 0.379 4.729 4.350 -0.000 0.000 0.252 355 E C -0.051 176.552 176.600 0.006 0.000 0.894 355 E CA 0.400 56.803 56.400 0.005 0.000 0.785 355 E CB 1.734 31.436 29.700 0.002 0.000 1.237 355 E HN 0.928 nan 8.360 nan 0.000 0.418 356 G N 4.008 112.812 108.800 0.005 0.000 2.536 356 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 356 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 356 G C 0.464 175.368 174.900 0.008 0.000 1.152 356 G CA 0.243 45.346 45.100 0.004 0.000 0.970 356 G HN 0.551 nan 8.290 nan 0.000 0.549 357 N N 0.425 119.130 118.700 0.008 0.000 2.214 357 N HA 0.265 5.005 4.740 -0.000 0.000 0.214 357 N C 0.143 175.662 175.510 0.014 0.000 1.132 357 N CA 0.017 53.073 53.050 0.011 0.000 0.856 357 N CB 0.504 38.993 38.487 0.005 0.000 1.020 357 N HN 0.415 nan 8.380 nan 0.000 0.509 358 L N 1.985 123.216 121.223 0.014 0.000 2.282 358 L HA 0.421 4.761 4.340 -0.000 0.000 0.287 358 L C -0.434 176.445 176.870 0.016 0.000 1.075 358 L CA -0.147 54.703 54.840 0.015 0.000 0.839 358 L CB -0.007 42.060 42.059 0.013 0.000 1.219 358 L HN -0.029 nan 8.230 nan 0.000 0.434 359 I N 4.290 124.873 120.570 0.022 0.000 2.353 359 I HA 0.209 4.379 4.170 -0.000 0.000 0.293 359 I C -0.044 176.086 176.117 0.021 0.000 0.992 359 I CA -0.536 60.780 61.300 0.026 0.000 1.268 359 I CB 1.137 39.162 38.000 0.042 0.000 1.387 359 I HN 0.532 nan 8.210 nan 0.000 0.478 360 C N 8.004 127.307 119.300 0.005 0.000 2.601 360 C HA 0.223 4.683 4.460 -0.000 0.000 0.409 360 C C -1.818 173.159 174.990 -0.022 0.000 1.293 360 C CA -0.957 58.049 59.018 -0.020 0.000 2.101 360 C CB -0.173 27.545 27.740 -0.037 0.000 2.639 360 C HN 0.495 nan 8.230 nan 0.000 0.592 361 P HA 0.220 nan 4.420 nan 0.000 0.264 361 P C -0.730 176.519 177.300 -0.085 0.000 1.193 361 P CA 0.470 63.522 63.100 -0.081 0.000 0.763 361 P CB 0.460 31.909 31.700 -0.418 0.000 0.810 362 I N 3.601 124.203 120.570 0.052 0.000 2.647 362 I HA 0.497 4.666 4.170 -0.000 0.000 0.295 362 I C -1.745 174.380 176.117 0.014 0.000 1.078 362 I CA -1.355 59.910 61.300 -0.059 0.000 1.048 362 I CB 2.096 40.006 38.000 -0.151 0.000 1.239 362 I HN 0.100 nan 8.210 nan 0.000 0.421 363 L N 7.594 128.738 121.223 -0.132 0.000 2.313 363 L HA 0.631 4.971 4.340 -0.000 0.000 0.283 363 L C -1.880 174.851 176.870 -0.231 0.000 1.013 363 L CA 0.086 54.896 54.840 -0.050 0.000 0.816 363 L CB 1.172 43.222 42.059 -0.015 0.000 1.236 363 L HN 0.530 nan 8.230 nan 0.000 0.419 364 F N 3.682 123.648 119.950 0.026 0.000 2.426 364 F HA 0.405 4.932 4.527 -0.000 0.000 0.348 364 F C 0.239 176.035 175.800 -0.006 0.000 1.124 364 F CA -0.460 57.542 58.000 0.004 0.000 1.008 364 F CB 1.532 40.529 39.000 -0.007 0.000 1.139 364 F HN 0.505 nan 8.300 nan 0.000 0.452 365 D N 2.609 123.115 120.400 0.176 0.000 2.387 365 D HA 0.279 4.919 4.640 -0.000 0.000 0.255 365 D C -0.334 176.023 176.300 0.094 0.000 1.081 365 D CA -0.351 53.707 54.000 0.096 0.000 0.994 365 D CB 0.959 41.789 40.800 0.050 0.000 1.127 365 D HN 0.487 nan 8.370 nan 0.000 0.513 366 K N -0.171 120.259 120.400 0.050 0.000 3.156 366 K HA -0.121 4.199 4.320 -0.000 0.000 0.266 366 K C -0.520 176.093 176.600 0.022 0.000 0.966 366 K CA 0.070 56.377 56.287 0.032 0.000 0.719 366 K CB -2.104 30.416 32.500 0.033 0.000 1.333 366 K HN 0.146 nan 8.250 nan 0.000 0.468 367 V N 1.423 121.340 119.914 0.004 0.000 2.583 367 V HA 0.168 4.288 4.120 -0.000 0.000 0.287 367 V C 1.143 177.205 176.094 -0.053 0.000 1.051 367 V CA 0.099 62.375 62.300 -0.041 0.000 1.010 367 V CB 1.578 33.361 31.823 -0.066 0.000 0.988 367 V HN 0.543 nan 8.190 nan 0.000 0.478 368 T N -0.262 114.263 114.554 -0.048 0.000 2.942 368 T HA 0.263 4.613 4.350 -0.000 0.000 0.289 368 T C 1.151 175.851 174.700 0.001 0.000 1.044 368 T CA 0.175 62.265 62.100 -0.016 0.000 1.023 368 T CB 1.524 70.398 68.868 0.011 0.000 1.123 368 T HN 0.769 nan 8.240 nan 0.000 0.512 369 T N -1.606 112.996 114.554 0.081 0.000 3.025 369 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 369 T C 1.195 176.126 174.700 0.384 0.000 1.126 369 T CA 1.794 64.062 62.100 0.281 0.000 1.105 369 T CB -0.812 68.285 68.868 0.382 0.000 0.884 369 T HN 0.791 nan 8.240 nan 0.000 0.522 370 D N -0.141 120.370 120.400 0.184 0.000 2.333 370 D HA 0.088 4.728 4.640 -0.000 0.000 0.208 370 D C 0.644 177.012 176.300 0.113 0.000 0.984 370 D CA 0.159 54.242 54.000 0.138 0.000 0.873 370 D CB -0.251 40.592 40.800 0.073 0.000 0.935 370 D HN 0.472 nan 8.370 nan 0.000 0.521 371 M N 0.387 120.033 119.600 0.077 0.000 2.216 371 M HA 0.327 4.807 4.480 -0.000 0.000 0.356 371 M C 1.241 177.584 176.300 0.071 0.000 1.205 371 M CA -0.481 54.828 55.300 0.014 0.000 1.122 371 M CB 1.593 34.143 32.600 -0.084 0.000 1.571 371 M HN -0.169 nan 8.290 nan 0.000 0.464 372 R N 0.919 121.451 120.500 0.053 0.000 2.105 372 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 372 R C 1.797 178.138 176.300 0.069 0.000 1.135 372 R CA 1.267 57.430 56.100 0.105 0.000 0.967 372 R CB -0.429 29.893 30.300 0.036 0.000 0.861 372 R HN 0.545 nan 8.270 nan 0.000 0.442 373 L N 0.555 121.747 121.223 -0.052 0.000 2.450 373 L HA -0.053 4.287 4.340 -0.000 0.000 0.224 373 L C 1.963 178.749 176.870 -0.139 0.000 1.149 373 L CA 1.246 56.032 54.840 -0.090 0.000 0.816 373 L CB -0.208 41.754 42.059 -0.161 0.000 0.932 373 L HN 0.104 nan 8.230 nan 0.000 0.449 374 A N -1.642 121.025 122.820 -0.254 0.000 2.016 374 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 374 A C 1.630 178.755 177.584 -0.764 0.000 1.162 374 A CA 1.427 53.099 52.037 -0.609 0.000 0.662 374 A CB -0.612 17.860 19.000 -0.880 0.000 0.812 374 A HN 0.648 nan 8.150 nan 0.000 0.450 375 W N -0.350 120.989 121.300 0.064 0.000 3.298 375 W HA 0.280 4.939 4.660 -0.000 0.000 0.239 375 W C 0.376 177.006 176.519 0.184 0.000 1.082 375 W CA -0.323 57.089 57.345 0.112 0.000 1.711 375 W CB 0.030 29.540 29.460 0.083 0.000 0.944 375 W HN 0.039 nan 8.180 nan 0.000 0.712 376 E N 2.241 122.662 120.200 0.368 0.000 2.360 376 E HA 0.019 4.369 4.350 -0.000 0.000 0.269 376 E C -0.155 176.612 176.600 0.278 0.000 1.022 376 E CA -0.114 56.499 56.400 0.355 0.000 0.887 376 E CB 0.770 30.669 29.700 0.332 0.000 0.990 376 E HN 0.018 nan 8.360 nan 0.000 0.426 377 E N 4.854 125.219 120.200 0.275 0.000 2.104 377 E HA 0.023 4.373 4.350 -0.000 0.000 0.278 377 E C -1.831 174.945 176.600 0.293 0.000 1.127 377 E CA -1.706 54.784 56.400 0.151 0.000 0.897 377 E CB 0.622 30.277 29.700 -0.074 0.000 1.043 377 E HN 0.250 nan 8.360 nan 0.000 0.410 378 P HA -0.018 nan 4.420 nan 0.000 0.214 378 P C -0.221 177.344 177.300 0.442 0.000 1.162 378 P CA 0.350 63.635 63.100 0.308 0.000 0.871 378 P CB 0.108 31.890 31.700 0.137 0.000 0.783 379 F N -1.132 118.877 119.950 0.099 0.000 3.030 379 F HA -0.054 4.473 4.527 -0.000 0.000 0.309 379 F C 0.547 176.389 175.800 0.070 0.000 0.941 379 F CA 0.949 58.998 58.000 0.081 0.000 1.082 379 F CB -1.521 37.557 39.000 0.131 0.000 1.113 379 F HN 0.100 nan 8.300 nan 0.000 0.716 380 G N -0.348 108.512 108.800 0.100 0.000 2.660 380 G HA2 0.646 4.606 3.960 -0.000 0.000 0.290 380 G HA3 0.646 4.606 3.960 -0.000 0.000 0.290 380 G C -3.149 171.769 174.900 0.031 0.000 1.432 380 G CA -0.961 44.176 45.100 0.061 0.000 0.807 380 G HN -0.180 nan 8.290 nan 0.000 0.485 381 P HA 0.342 nan 4.420 nan 0.000 0.220 381 P C -0.595 176.869 177.300 0.274 0.000 1.806 381 P CA -0.244 62.979 63.100 0.205 0.000 0.976 381 P CB 0.381 32.241 31.700 0.266 0.000 1.952 382 V N 2.674 122.668 119.914 0.132 0.000 2.525 382 V HA 0.371 4.491 4.120 -0.000 0.000 0.299 382 V C -0.371 175.766 176.094 0.073 0.000 1.034 382 V CA -0.800 61.602 62.300 0.169 0.000 0.863 382 V CB 2.431 34.360 31.823 0.177 0.000 0.999 382 V HN 0.079 nan 8.190 nan 0.000 0.423 383 L N 8.648 129.942 121.223 0.118 0.000 2.349 383 L HA 0.798 5.138 4.340 -0.000 0.000 0.278 383 L C -2.600 174.337 176.870 0.112 0.000 0.996 383 L CA -1.745 53.112 54.840 0.028 0.000 0.825 383 L CB 2.428 44.462 42.059 -0.041 0.000 1.243 383 L HN 0.406 nan 8.230 nan 0.000 0.412 384 P HA 0.346 nan 4.420 nan 0.000 0.292 384 P C -1.193 176.119 177.300 0.019 0.000 1.283 384 P CA -0.418 62.721 63.100 0.064 0.000 0.835 384 P CB 1.623 33.306 31.700 -0.028 0.000 1.017 385 I N 4.426 125.019 120.570 0.037 0.000 2.354 385 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 385 I C 0.572 176.682 176.117 -0.010 0.000 0.989 385 I CA -0.814 60.491 61.300 0.009 0.000 1.188 385 I CB 0.911 38.924 38.000 0.021 0.000 1.342 385 I HN 0.268 nan 8.210 nan 0.000 0.457 386 I N 6.288 126.838 120.570 -0.033 0.000 2.382 386 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 386 I C 0.255 176.359 176.117 -0.021 0.000 1.002 386 I CA -0.657 60.617 61.300 -0.044 0.000 1.135 386 I CB 1.286 39.231 38.000 -0.092 0.000 1.288 386 I HN 0.406 nan 8.210 nan 0.000 0.448 387 R N 5.304 125.798 120.500 -0.009 0.000 2.308 387 R HA 0.546 4.886 4.340 -0.000 0.000 0.305 387 R C -0.511 175.791 176.300 0.004 0.000 1.053 387 R CA -0.432 55.668 56.100 0.001 0.000 0.957 387 R CB 1.409 31.712 30.300 0.006 0.000 1.022 387 R HN 0.530 nan 8.270 nan 0.000 0.461 388 V N -0.875 119.045 119.914 0.009 0.000 3.046 388 V HA 0.570 4.690 4.120 -0.000 0.000 0.316 388 V C 0.636 176.740 176.094 0.017 0.000 1.104 388 V CA -0.544 61.765 62.300 0.014 0.000 1.006 388 V CB 2.049 33.881 31.823 0.016 0.000 1.058 388 V HN 0.912 nan 8.190 nan 0.000 0.440 389 T N -1.898 112.667 114.554 0.019 0.000 3.044 389 T HA 0.450 4.800 4.350 -0.000 0.000 0.260 389 T C 0.509 175.221 174.700 0.021 0.000 1.019 389 T CA 0.507 62.618 62.100 0.019 0.000 0.921 389 T CB -0.455 68.424 68.868 0.018 0.000 1.053 389 T HN 1.766 nan 8.240 nan 0.000 0.533 390 S N -0.877 114.836 115.700 0.022 0.000 2.588 390 S HA 0.535 5.005 4.470 -0.000 0.000 0.269 390 S C 0.475 175.089 174.600 0.024 0.000 1.157 390 S CA -0.389 57.825 58.200 0.023 0.000 0.824 390 S CB 1.341 64.555 63.200 0.022 0.000 1.126 390 S HN -0.117 nan 8.310 nan 0.000 0.464 391 V N 1.364 121.292 119.914 0.023 0.000 2.548 391 V HA -0.039 4.081 4.120 -0.000 0.000 0.249 391 V C 2.428 178.536 176.094 0.022 0.000 1.055 391 V CA 2.214 64.528 62.300 0.022 0.000 1.065 391 V CB -1.119 30.716 31.823 0.020 0.000 0.681 391 V HN 0.912 nan 8.190 nan 0.000 0.462 392 E N 0.155 120.369 120.200 0.023 0.000 2.077 392 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 392 E C 2.236 178.854 176.600 0.029 0.000 0.989 392 E CA 1.477 57.891 56.400 0.024 0.000 0.800 392 E CB -0.188 29.525 29.700 0.022 0.000 0.746 392 E HN 0.655 nan 8.360 nan 0.000 0.452 393 E N 0.069 120.287 120.200 0.030 0.000 2.051 393 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 393 E C 2.035 178.659 176.600 0.040 0.000 0.991 393 E CA 0.984 57.406 56.400 0.037 0.000 0.799 393 E CB -0.122 29.598 29.700 0.033 0.000 0.748 393 E HN 0.253 nan 8.360 nan 0.000 0.449 394 A N 1.166 124.006 122.820 0.032 0.000 1.917 394 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 394 A C 2.161 179.767 177.584 0.037 0.000 1.182 394 A CA 1.593 53.648 52.037 0.030 0.000 0.633 394 A CB -0.726 18.290 19.000 0.026 0.000 0.819 394 A HN 0.342 nan 8.150 nan 0.000 0.448 395 I N -0.799 119.791 120.570 0.034 0.000 2.286 395 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 395 I C 2.542 178.689 176.117 0.051 0.000 1.115 395 I CA 1.565 62.885 61.300 0.034 0.000 1.392 395 I CB -0.392 37.622 38.000 0.023 0.000 1.065 395 I HN 0.442 nan 8.210 nan 0.000 0.418 396 E N 0.860 121.093 120.200 0.057 0.000 2.047 396 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 396 E C 2.321 178.992 176.600 0.118 0.000 0.987 396 E CA 1.212 57.655 56.400 0.072 0.000 0.799 396 E CB -0.008 29.730 29.700 0.065 0.000 0.752 396 E HN 0.462 nan 8.360 nan 0.000 0.449 397 I N 0.478 121.124 120.570 0.127 0.000 2.252 397 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 397 I C 2.645 178.881 176.117 0.198 0.000 1.102 397 I CA 0.637 62.051 61.300 0.189 0.000 1.385 397 I CB -0.247 37.803 38.000 0.082 0.000 1.064 397 I HN 0.070 nan 8.210 nan 0.000 0.414 398 S N 1.126 116.896 115.700 0.115 0.000 2.359 398 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 398 S C 1.758 176.449 174.600 0.151 0.000 1.035 398 S CA 1.846 60.112 58.200 0.111 0.000 1.018 398 S CB -0.244 62.996 63.200 0.066 0.000 0.876 398 S HN 0.411 nan 8.310 nan 0.000 0.448 399 N N 0.915 119.688 118.700 0.121 0.000 2.494 399 N HA 0.015 4.755 4.740 -0.000 0.000 0.182 399 N C 1.416 176.989 175.510 0.104 0.000 1.076 399 N CA 0.563 53.670 53.050 0.095 0.000 0.908 399 N CB -0.240 38.281 38.487 0.056 0.000 0.967 399 N HN 0.542 nan 8.380 nan 0.000 0.449 400 K N 0.498 120.998 120.400 0.166 0.000 2.365 400 K HA 0.070 4.390 4.320 -0.000 0.000 0.199 400 K C 0.681 177.313 176.600 0.054 0.000 1.045 400 K CA 0.133 56.477 56.287 0.095 0.000 0.962 400 K CB 0.040 32.627 32.500 0.145 0.000 0.759 400 K HN -0.075 nan 8.250 nan 0.000 0.469 401 S N 1.096 116.970 115.700 0.290 0.000 2.573 401 S HA -0.047 4.423 4.470 -0.000 0.000 0.277 401 S C 1.025 175.651 174.600 0.044 0.000 1.346 401 S CA -0.239 58.131 58.200 0.283 0.000 1.034 401 S CB 0.714 64.159 63.200 0.409 0.000 0.879 401 S HN 0.494 nan 8.310 nan 0.000 0.528 402 E N 2.568 122.699 120.200 -0.115 0.000 2.435 402 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 402 E C -0.594 175.850 176.600 -0.260 0.000 1.029 402 E CA 0.492 56.743 56.400 -0.248 0.000 0.865 402 E CB -0.107 29.366 29.700 -0.378 0.000 0.833 402 E HN 0.689 nan 8.360 nan 0.000 0.510 403 Y N 0.539 120.888 120.300 0.082 0.000 2.320 403 Y HA 0.521 5.071 4.550 -0.000 0.000 0.324 403 Y C 1.086 177.019 175.900 0.056 0.000 1.190 403 Y CA -0.120 58.023 58.100 0.071 0.000 1.215 403 Y CB 1.945 40.464 38.460 0.097 0.000 1.221 403 Y HN 0.013 nan 8.280 nan 0.000 0.486 404 G N 2.262 111.183 108.800 0.202 0.000 4.379 404 G HA2 0.274 4.234 3.960 -0.000 0.000 0.243 404 G HA3 0.274 4.234 3.960 -0.000 0.000 0.243 404 G C -0.261 174.669 174.900 0.050 0.000 1.009 404 G CA -0.193 44.968 45.100 0.102 0.000 0.646 404 G HN 0.558 nan 8.290 nan 0.000 0.475 405 L N -0.095 121.165 121.223 0.062 0.000 2.051 405 L HA 0.494 4.834 4.340 -0.000 0.000 0.202 405 L C 1.075 177.941 176.870 -0.007 0.000 1.097 405 L CA 1.772 56.610 54.840 -0.003 0.000 0.762 405 L CB -0.295 41.792 42.059 0.046 0.000 0.913 405 L HN 0.405 nan 8.230 nan 0.000 0.447 406 Q N -1.851 117.980 119.800 0.052 0.000 2.553 406 Q HA 0.709 5.049 4.340 -0.000 0.000 0.293 406 Q C -1.563 174.474 176.000 0.062 0.000 1.038 406 Q CA -0.641 55.203 55.803 0.068 0.000 0.777 406 Q CB 2.267 31.102 28.738 0.160 0.000 1.487 406 Q HN 0.289 nan 8.270 nan 0.000 0.426 407 A N 0.473 123.322 122.820 0.049 0.000 2.587 407 A HA 0.781 5.101 4.320 -0.000 0.000 0.293 407 A C -1.316 176.276 177.584 0.015 0.000 1.087 407 A CA -0.511 51.543 52.037 0.029 0.000 0.692 407 A CB 2.270 21.268 19.000 -0.003 0.000 1.291 407 A HN 0.407 nan 8.150 nan 0.000 0.407 408 S N 0.102 115.802 115.700 0.000 0.000 2.482 408 S HA 0.750 5.220 4.470 -0.000 0.000 0.303 408 S C -0.838 173.651 174.600 -0.185 0.000 1.091 408 S CA -0.349 57.787 58.200 -0.107 0.000 1.057 408 S CB 0.567 63.784 63.200 0.029 0.000 1.031 408 S HN 0.475 nan 8.310 nan 0.000 0.485 409 I N 3.440 123.767 120.570 -0.405 0.000 2.447 409 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 409 I C -1.457 174.347 176.117 -0.522 0.000 1.023 409 I CA -0.525 60.594 61.300 -0.302 0.000 1.083 409 I CB 1.436 39.293 38.000 -0.238 0.000 1.245 409 I HN 0.466 nan 8.210 nan 0.000 0.434 410 F N 4.178 124.109 119.950 -0.031 0.000 2.388 410 F HA 0.661 5.188 4.527 -0.000 0.000 0.358 410 F C 0.478 176.277 175.800 -0.002 0.000 1.122 410 F CA -0.418 57.577 58.000 -0.008 0.000 1.056 410 F CB 1.838 40.844 39.000 0.010 0.000 1.155 410 F HN 0.387 nan 8.300 nan 0.000 0.461 411 T N 1.380 116.002 114.554 0.114 0.000 2.733 411 T HA 0.260 4.610 4.350 -0.000 0.000 0.312 411 T C -0.400 174.387 174.700 0.145 0.000 1.590 411 T CA -0.627 61.532 62.100 0.099 0.000 1.005 411 T CB 1.290 70.179 68.868 0.035 0.000 1.528 411 T HN 0.405 nan 8.240 nan 0.000 0.496 412 N N 1.192 119.989 118.700 0.161 0.000 2.184 412 N HA 0.204 4.944 4.740 -0.000 0.000 0.206 412 N C -0.757 174.901 175.510 0.247 0.000 1.151 412 N CA -0.059 53.123 53.050 0.219 0.000 0.878 412 N CB 0.574 39.149 38.487 0.146 0.000 1.014 412 N HN 0.539 nan 8.380 nan 0.000 0.512 413 D N 0.099 120.614 120.400 0.192 0.000 2.518 413 D HA 0.113 4.753 4.640 -0.000 0.000 0.230 413 D C 0.696 177.122 176.300 0.210 0.000 1.138 413 D CA -0.527 53.580 54.000 0.178 0.000 0.964 413 D CB -0.184 40.677 40.800 0.103 0.000 1.011 413 D HN -0.119 nan 8.370 nan 0.000 0.517 414 F N 2.344 122.339 119.950 0.075 0.000 2.095 414 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 414 F C -0.535 175.373 175.800 0.180 0.000 1.104 414 F CA 0.851 58.928 58.000 0.127 0.000 1.232 414 F CB -1.225 37.849 39.000 0.123 0.000 0.987 414 F HN 0.392 nan 8.300 nan 0.000 0.475 415 P HA -0.152 nan 4.420 nan 0.000 0.218 415 P C 1.636 179.024 177.300 0.147 0.000 1.149 415 P CA 1.497 64.689 63.100 0.154 0.000 0.817 415 P CB -0.149 31.598 31.700 0.079 0.000 0.785 416 R N -0.093 120.475 120.500 0.112 0.000 2.073 416 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 416 R C 2.098 178.424 176.300 0.044 0.000 1.120 416 R CA 1.320 57.462 56.100 0.070 0.000 0.967 416 R CB -0.728 29.604 30.300 0.053 0.000 0.862 416 R HN 0.022 nan 8.270 nan 0.000 0.436 417 A N 0.346 123.167 122.820 0.002 0.000 1.940 417 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 417 A C 1.948 179.473 177.584 -0.098 0.000 1.176 417 A CA 1.267 53.233 52.037 -0.118 0.000 0.631 417 A CB -0.748 18.055 19.000 -0.329 0.000 0.814 417 A HN 0.400 nan 8.150 nan 0.000 0.446 418 F N 0.186 120.066 119.950 -0.118 0.000 2.234 418 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 418 F C 2.547 178.314 175.800 -0.055 0.000 1.087 418 F CA 1.224 59.176 58.000 -0.080 0.000 1.340 418 F CB -0.358 38.621 39.000 -0.035 0.000 1.031 418 F HN 0.308 nan 8.300 nan 0.000 0.500 419 G N -0.117 108.771 108.800 0.146 0.000 2.403 419 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 419 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 419 G C 1.699 176.614 174.900 0.026 0.000 1.154 419 G CA 0.823 45.970 45.100 0.079 0.000 0.784 419 G HN 0.336 nan 8.290 nan 0.000 0.538 420 I N 1.406 121.975 120.570 -0.002 0.000 2.202 420 I HA -0.108 4.062 4.170 -0.000 0.000 0.242 420 I C 3.291 179.375 176.117 -0.055 0.000 1.091 420 I CA 0.879 62.163 61.300 -0.026 0.000 1.368 420 I CB -0.230 37.746 38.000 -0.039 0.000 1.058 420 I HN 0.214 nan 8.210 nan 0.000 0.410 421 A N 0.584 123.341 122.820 -0.106 0.000 1.903 421 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 421 A C 2.211 179.738 177.584 -0.094 0.000 1.191 421 A CA 2.121 54.067 52.037 -0.151 0.000 0.638 421 A CB -0.769 18.056 19.000 -0.292 0.000 0.823 421 A HN 0.491 nan 8.150 nan 0.000 0.451 422 E N -0.747 119.423 120.200 -0.049 0.000 2.160 422 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 422 E C 2.158 178.749 176.600 -0.016 0.000 0.991 422 E CA 1.384 57.774 56.400 -0.017 0.000 0.810 422 E CB -0.152 29.561 29.700 0.021 0.000 0.742 422 E HN 0.777 nan 8.360 nan 0.000 0.466 423 Q N -0.076 119.715 119.800 -0.016 0.000 2.354 423 Q HA 0.086 4.426 4.340 -0.000 0.000 0.203 423 Q C 0.340 176.334 176.000 -0.010 0.000 0.933 423 Q CA 0.073 55.872 55.803 -0.008 0.000 0.901 423 Q CB 0.332 29.069 28.738 -0.001 0.000 1.007 423 Q HN 0.226 nan 8.270 nan 0.000 0.495 424 L N 2.283 123.492 121.223 -0.023 0.000 2.361 424 L HA 0.071 4.411 4.340 -0.000 0.000 0.278 424 L C 0.081 176.941 176.870 -0.018 0.000 1.113 424 L CA 0.053 54.882 54.840 -0.018 0.000 0.849 424 L CB 0.463 42.503 42.059 -0.033 0.000 1.155 424 L HN 0.045 nan 8.230 nan 0.000 0.452 425 E N 3.718 123.917 120.200 -0.001 0.000 2.222 425 E HA 0.147 4.497 4.350 -0.000 0.000 0.312 425 E C -0.333 176.267 176.600 0.000 0.000 1.263 425 E CA -0.220 56.179 56.400 -0.002 0.000 1.356 425 E CB 0.101 29.806 29.700 0.009 0.000 1.180 425 E HN 0.463 nan 8.360 nan 0.000 0.494 426 V N -2.965 116.936 119.914 -0.021 0.000 3.156 426 V HA 0.695 4.815 4.120 -0.000 0.000 0.311 426 V C 1.011 177.066 176.094 -0.065 0.000 1.208 426 V CA -0.552 61.731 62.300 -0.028 0.000 1.063 426 V CB 1.271 33.082 31.823 -0.021 0.000 1.098 426 V HN 0.229 nan 8.190 nan 0.000 0.452 427 G N -0.191 108.556 108.800 -0.089 0.000 2.437 427 G HA2 0.332 4.292 3.960 -0.000 0.000 0.212 427 G HA3 0.332 4.292 3.960 -0.000 0.000 0.212 427 G C 0.487 175.307 174.900 -0.133 0.000 1.174 427 G CA 0.979 46.001 45.100 -0.130 0.000 0.811 427 G HN 0.831 nan 8.290 nan 0.000 0.537 428 T N -0.059 114.427 114.554 -0.113 0.000 2.886 428 T HA 0.561 4.911 4.350 -0.000 0.000 0.292 428 T C -1.185 173.420 174.700 -0.157 0.000 1.012 428 T CA -0.361 61.645 62.100 -0.156 0.000 0.982 428 T CB 2.795 71.600 68.868 -0.106 0.000 1.018 428 T HN -0.052 nan 8.240 nan 0.000 0.451 429 V N 3.136 122.894 119.914 -0.259 0.000 2.487 429 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 429 V C -0.839 175.051 176.094 -0.341 0.000 1.028 429 V CA -0.851 61.308 62.300 -0.234 0.000 0.860 429 V CB 1.409 33.078 31.823 -0.257 0.000 0.991 429 V HN 0.885 nan 8.190 nan 0.000 0.427 430 H N 4.050 123.010 119.070 -0.184 0.000 2.476 430 H HA 0.590 5.146 4.556 -0.000 0.000 0.328 430 H C -0.320 174.821 175.328 -0.311 0.000 1.073 430 H CA -0.341 55.596 56.048 -0.184 0.000 1.229 430 H CB 1.439 31.135 29.762 -0.110 0.000 1.432 430 H HN 0.526 nan 8.280 nan 0.000 0.477 431 I N 3.456 123.898 120.570 -0.213 0.000 2.315 431 I HA 0.057 4.227 4.170 -0.000 0.000 0.291 431 I C 0.016 175.976 176.117 -0.261 0.000 1.006 431 I CA -0.558 60.519 61.300 -0.372 0.000 1.265 431 I CB 0.814 38.461 38.000 -0.588 0.000 1.387 431 I HN 0.785 nan 8.210 nan 0.000 0.475 432 N N 4.145 122.568 118.700 -0.462 0.000 2.725 432 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 432 N C -0.829 174.659 175.510 -0.036 0.000 1.103 432 N CA 0.837 53.751 53.050 -0.227 0.000 0.707 432 N CB -1.132 37.424 38.487 0.115 0.000 1.043 432 N HN 0.672 nan 8.380 nan 0.000 0.553 433 N N -0.190 118.393 118.700 -0.195 0.000 2.710 433 N HA 0.168 4.908 4.740 -0.000 0.000 0.257 433 N C -0.449 175.073 175.510 0.021 0.000 1.327 433 N CA -0.665 52.411 53.050 0.044 0.000 0.861 433 N CB 1.732 40.241 38.487 0.036 0.000 1.532 433 N HN 0.178 nan 8.380 nan 0.000 0.499 434 K N -0.611 119.851 120.400 0.103 0.000 2.180 434 K HA 0.275 4.595 4.320 -0.000 0.000 0.251 434 K C 0.105 176.603 176.600 -0.170 0.000 1.014 434 K CA -0.214 56.117 56.287 0.072 0.000 0.913 434 K CB -0.049 32.483 32.500 0.052 0.000 1.008 434 K HN 0.529 nan 8.250 nan 0.000 0.490 435 T N -0.320 114.172 114.554 -0.104 0.000 2.860 435 T HA 0.188 4.538 4.350 -0.000 0.000 0.299 435 T C -0.191 174.373 174.700 -0.226 0.000 1.045 435 T CA -0.569 61.435 62.100 -0.160 0.000 1.071 435 T CB 0.493 69.399 68.868 0.063 0.000 0.985 435 T HN 0.780 nan 8.240 nan 0.000 0.537 436 Q N -0.570 119.112 119.800 -0.196 0.000 2.617 436 Q HA 0.328 4.668 4.340 -0.000 0.000 0.270 436 Q C 0.395 176.431 176.000 0.060 0.000 0.967 436 Q CA -1.180 54.567 55.803 -0.093 0.000 0.887 436 Q CB 1.107 29.736 28.738 -0.183 0.000 1.516 436 Q HN 0.596 nan 8.270 nan 0.000 0.395 437 R N 1.393 121.840 120.500 -0.088 0.000 2.115 437 R HA 0.050 4.390 4.340 -0.000 0.000 0.230 437 R C 0.725 176.964 176.300 -0.102 0.000 1.111 437 R CA 1.469 57.416 56.100 -0.255 0.000 0.976 437 R CB -0.481 29.366 30.300 -0.755 0.000 0.870 437 R HN 0.730 nan 8.270 nan 0.000 0.445 438 G N -0.174 108.549 108.800 -0.130 0.000 2.732 438 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.244 438 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.244 438 G C -0.694 174.121 174.900 -0.143 0.000 1.226 438 G CA -0.333 44.668 45.100 -0.165 0.000 0.860 438 G HN 0.191 nan 8.290 nan 0.000 0.583 439 T N -0.110 114.123 114.554 -0.534 0.000 2.918 439 T HA 0.099 4.449 4.350 -0.000 0.000 0.302 439 T C 1.282 175.701 174.700 -0.469 0.000 1.045 439 T CA -0.206 61.535 62.100 -0.599 0.000 1.114 439 T CB 0.383 68.718 68.868 -0.888 0.000 0.965 439 T HN 0.500 nan 8.240 nan 0.000 0.540 440 D N 2.558 122.749 120.400 -0.349 0.000 2.384 440 D HA -0.121 4.519 4.640 -0.000 0.000 0.222 440 D C 1.651 177.849 176.300 -0.169 0.000 0.976 440 D CA 0.575 54.432 54.000 -0.238 0.000 0.915 440 D CB 0.132 40.798 40.800 -0.224 0.000 0.896 440 D HN 0.620 nan 8.370 nan 0.000 0.523 441 N N 0.462 119.009 118.700 -0.255 0.000 2.416 441 N HA -0.124 4.616 4.740 -0.000 0.000 0.177 441 N C 0.784 176.506 175.510 0.354 0.000 1.036 441 N CA 0.040 53.069 53.050 -0.034 0.000 0.901 441 N CB -0.556 37.853 38.487 -0.130 0.000 0.976 441 N HN 0.185 nan 8.380 nan 0.000 0.444 442 F N 2.298 122.297 119.950 0.083 0.000 2.450 442 F HA 0.239 4.766 4.527 -0.000 0.000 0.339 442 F C -1.492 174.366 175.800 0.097 0.000 1.146 442 F CA -2.277 55.790 58.000 0.110 0.000 1.267 442 F CB 0.545 39.575 39.000 0.051 0.000 1.178 442 F HN -0.138 nan 8.300 nan 0.000 0.585 443 P HA 0.011 nan 4.420 nan 0.000 0.271 443 P C -1.119 176.191 177.300 0.016 0.000 1.218 443 P CA 0.156 63.067 63.100 -0.316 0.000 0.780 443 P CB 0.715 32.014 31.700 -0.669 0.000 0.901 444 F N 4.773 124.640 119.950 -0.140 0.000 2.579 444 F HA 0.583 5.110 4.527 -0.000 0.000 0.325 444 F C -1.270 174.499 175.800 -0.052 0.000 1.162 444 F CA -0.828 57.142 58.000 -0.050 0.000 0.946 444 F CB 0.879 39.875 39.000 -0.007 0.000 1.211 444 F HN 0.261 nan 8.300 nan 0.000 0.447 445 L N 3.429 124.227 121.223 -0.709 0.000 2.622 445 L HA 1.057 5.397 4.340 -0.000 0.000 0.258 445 L C -1.199 175.384 176.870 -0.477 0.000 0.996 445 L CA -0.994 53.536 54.840 -0.516 0.000 0.858 445 L CB 1.974 43.878 42.059 -0.258 0.000 1.449 445 L HN 0.734 nan 8.230 nan 0.000 0.411 446 G N 0.308 108.924 108.800 -0.308 0.000 2.495 446 G HA2 0.787 4.747 3.960 -0.000 0.000 0.318 446 G HA3 0.787 4.747 3.960 -0.000 0.000 0.318 446 G C -0.740 174.110 174.900 -0.083 0.000 1.257 446 G CA -0.259 44.738 45.100 -0.172 0.000 0.962 446 G HN 1.038 nan 8.290 nan 0.000 0.483 447 A N 1.454 124.248 122.820 -0.044 0.000 2.240 447 A HA 0.815 5.135 4.320 -0.000 0.000 0.292 447 A C 1.089 178.675 177.584 0.003 0.000 1.121 447 A CA 0.226 52.250 52.037 -0.022 0.000 0.851 447 A CB 0.258 19.246 19.000 -0.019 0.000 1.167 447 A HN 0.961 nan 8.150 nan 0.000 0.503 448 K N -1.328 119.069 120.400 -0.005 0.000 1.888 448 K HA -0.217 4.103 4.320 -0.000 0.000 0.114 448 K C 0.514 177.112 176.600 -0.004 0.000 1.252 448 K CA 2.046 58.326 56.287 -0.012 0.000 0.446 448 K CB -0.718 31.771 32.500 -0.019 0.000 0.566 448 K HN 0.534 nan 8.250 nan 0.000 0.937 449 K N 1.043 121.433 120.400 -0.017 0.000 2.522 449 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 449 K C 1.217 177.895 176.600 0.131 0.000 1.026 449 K CA 0.649 56.936 56.287 0.001 0.000 1.119 449 K CB 0.407 32.831 32.500 -0.127 0.000 0.856 449 K HN 0.271 nan 8.250 nan 0.000 0.513 450 S N -0.140 115.648 115.700 0.146 0.000 2.524 450 S HA 0.203 4.673 4.470 -0.000 0.000 0.216 450 S C 0.742 175.393 174.600 0.085 0.000 0.987 450 S CA 0.328 58.632 58.200 0.173 0.000 0.909 450 S CB 0.584 63.869 63.200 0.141 0.000 0.781 450 S HN 0.530 nan 8.310 nan 0.000 0.521 451 G N -0.064 108.768 108.800 0.053 0.000 2.325 451 G HA2 0.550 4.510 3.960 -0.000 0.000 0.297 451 G HA3 0.550 4.510 3.960 -0.000 0.000 0.297 451 G C -2.111 172.800 174.900 0.018 0.000 1.448 451 G CA -0.106 45.014 45.100 0.033 0.000 0.838 451 G HN 0.372 nan 8.290 nan 0.000 0.579 452 A N -0.761 122.077 122.820 0.030 0.000 2.427 452 A HA 1.157 5.477 4.320 -0.000 0.000 0.298 452 A C 0.431 178.039 177.584 0.040 0.000 1.036 452 A CA 0.583 52.632 52.037 0.021 0.000 0.701 452 A CB 1.377 20.387 19.000 0.017 0.000 1.250 452 A HN 2.879 nan 8.150 nan 0.000 0.412 453 G N 0.107 108.929 108.800 0.036 0.000 2.730 453 G HA2 0.158 4.118 3.960 -0.000 0.000 0.686 453 G HA3 0.158 4.118 3.960 -0.000 0.000 0.686 453 G C -0.794 174.138 174.900 0.053 0.000 1.343 453 G CA -0.330 44.816 45.100 0.077 0.000 0.826 453 G HN 1.360 nan 8.290 nan 0.000 0.582 454 I N 1.141 121.762 120.570 0.085 0.000 2.406 454 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 454 I C 0.589 176.786 176.117 0.133 0.000 0.999 454 I CA -0.701 60.619 61.300 0.033 0.000 1.124 454 I CB 1.811 39.798 38.000 -0.020 0.000 1.289 454 I HN 0.673 nan 8.210 nan 0.000 0.441 455 Q N 3.004 122.882 119.800 0.129 0.000 2.633 455 Q HA 0.803 5.143 4.340 -0.000 0.000 0.208 455 Q C -0.155 175.997 176.000 0.254 0.000 1.010 455 Q CA -0.764 55.182 55.803 0.238 0.000 0.982 455 Q CB 1.865 30.793 28.738 0.318 0.000 1.334 455 Q HN 0.879 nan 8.270 nan 0.000 0.508 456 G N -1.111 107.856 108.800 0.278 0.000 2.712 456 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 456 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 456 G C 0.267 175.371 174.900 0.341 0.000 1.181 456 G CA -0.455 44.827 45.100 0.303 0.000 0.762 456 G HN 0.374 nan 8.290 nan 0.000 0.641 457 V N 2.906 122.964 119.914 0.240 0.000 2.215 457 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 457 V C 3.139 179.326 176.094 0.155 0.000 1.054 457 V CA 3.343 65.764 62.300 0.202 0.000 1.012 457 V CB -0.723 31.261 31.823 0.268 0.000 0.639 457 V HN 1.098 nan 8.190 nan 0.000 0.448 458 K N -0.439 120.012 120.400 0.085 0.000 2.147 458 K HA -0.227 4.093 4.320 -0.000 0.000 0.205 458 K C 2.061 178.562 176.600 -0.165 0.000 1.049 458 K CA 2.328 58.551 56.287 -0.106 0.000 0.936 458 K CB -0.633 31.729 32.500 -0.230 0.000 0.722 458 K HN 0.544 nan 8.250 nan 0.000 0.446 459 Y N 1.926 122.279 120.300 0.089 0.000 2.263 459 Y HA -0.027 4.523 4.550 -0.000 0.000 0.292 459 Y C 2.749 178.694 175.900 0.075 0.000 1.130 459 Y CA 1.058 59.206 58.100 0.081 0.000 1.179 459 Y CB -0.270 38.244 38.460 0.091 0.000 0.998 459 Y HN 0.062 nan 8.280 nan 0.000 0.532 460 S N 0.295 116.129 115.700 0.222 0.000 2.368 460 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 460 S C 2.025 176.649 174.600 0.039 0.000 1.030 460 S CA 1.349 59.624 58.200 0.125 0.000 0.999 460 S CB -0.493 62.772 63.200 0.109 0.000 0.844 460 S HN 0.366 nan 8.310 nan 0.000 0.459 461 I N 1.366 121.958 120.570 0.036 0.000 2.226 461 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 461 I C 2.605 178.722 176.117 -0.000 0.000 1.100 461 I CA 1.192 62.494 61.300 0.004 0.000 1.374 461 I CB -0.357 37.644 38.000 0.001 0.000 1.057 461 I HN 0.315 nan 8.210 nan 0.000 0.413 462 E N 0.938 121.147 120.200 0.015 0.000 2.072 462 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 462 E C 2.376 179.014 176.600 0.063 0.000 0.985 462 E CA 1.293 57.711 56.400 0.030 0.000 0.801 462 E CB -0.098 29.622 29.700 0.033 0.000 0.750 462 E HN 0.498 nan 8.360 nan 0.000 0.452 463 A N 1.060 123.935 122.820 0.092 0.000 1.908 463 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 463 A C 1.955 179.577 177.584 0.063 0.000 1.181 463 A CA 1.378 53.508 52.037 0.155 0.000 0.627 463 A CB -0.370 18.764 19.000 0.223 0.000 0.818 463 A HN 0.166 nan 8.150 nan 0.000 0.445 464 M N 0.818 120.308 119.600 -0.184 0.000 2.571 464 M HA 0.098 4.578 4.480 -0.000 0.000 0.235 464 M C -0.102 176.133 176.300 -0.109 0.000 1.216 464 M CA 0.321 55.398 55.300 -0.372 0.000 0.979 464 M CB -0.247 32.002 32.600 -0.585 0.000 1.616 464 M HN 0.508 nan 8.290 nan 0.000 0.469 465 T N -4.176 110.375 114.554 -0.006 0.000 2.901 465 T HA 0.644 4.994 4.350 -0.000 0.000 0.293 465 T C -0.299 174.438 174.700 0.061 0.000 1.084 465 T CA -0.760 61.359 62.100 0.032 0.000 1.008 465 T CB 2.731 71.620 68.868 0.036 0.000 1.170 465 T HN 0.011 nan 8.240 nan 0.000 0.509 466 T N -0.754 113.834 114.554 0.058 0.000 2.724 466 T HA 0.725 5.075 4.350 -0.000 0.000 0.274 466 T C -1.333 173.394 174.700 0.045 0.000 0.984 466 T CA -0.592 61.542 62.100 0.057 0.000 1.024 466 T CB 1.636 70.539 68.868 0.058 0.000 1.320 466 T HN 0.626 nan 8.240 nan 0.000 0.555 467 V N 1.818 121.755 119.914 0.038 0.000 2.769 467 V HA 0.738 4.858 4.120 -0.000 0.000 0.312 467 V C -0.956 175.155 176.094 0.028 0.000 1.061 467 V CA -0.739 61.579 62.300 0.032 0.000 0.931 467 V CB 2.027 33.865 31.823 0.025 0.000 1.010 467 V HN 0.843 nan 8.190 nan 0.000 0.433 468 K N 2.677 123.095 120.400 0.029 0.000 2.394 468 K HA 0.533 4.853 4.320 -0.000 0.000 0.260 468 K C -0.634 175.984 176.600 0.029 0.000 0.967 468 K CA 0.094 56.398 56.287 0.028 0.000 0.855 468 K CB 1.601 34.119 32.500 0.029 0.000 1.101 468 K HN 0.614 nan 8.250 nan 0.000 0.433 469 S N 3.364 119.079 115.700 0.025 0.000 2.457 469 S HA 0.539 5.009 4.470 -0.000 0.000 0.289 469 S C -1.002 173.623 174.600 0.041 0.000 1.163 469 S CA -0.616 57.600 58.200 0.027 0.000 1.078 469 S CB 0.575 63.782 63.200 0.012 0.000 0.987 469 S HN 0.350 nan 8.310 nan 0.000 0.482 470 V N 6.304 126.257 119.914 0.065 0.000 2.378 470 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 470 V C -0.449 175.731 176.094 0.144 0.000 1.016 470 V CA -0.635 61.727 62.300 0.104 0.000 0.840 470 V CB 1.486 33.380 31.823 0.118 0.000 0.994 470 V HN 0.716 nan 8.190 nan 0.000 0.431 471 V N 6.725 126.713 119.914 0.124 0.000 2.459 471 V HA 0.736 4.856 4.120 -0.000 0.000 0.295 471 V C -0.431 175.771 176.094 0.180 0.000 1.029 471 V CA -0.491 61.851 62.300 0.071 0.000 0.874 471 V CB 1.351 33.182 31.823 0.013 0.000 0.985 471 V HN 0.833 nan 8.190 nan 0.000 0.438 472 F N 1.190 121.142 119.950 0.003 0.000 2.713 472 F HA 0.755 5.282 4.527 -0.000 0.000 0.311 472 F C -1.322 174.482 175.800 0.006 0.000 1.141 472 F CA -1.249 56.753 58.000 0.004 0.000 0.939 472 F CB 1.388 40.390 39.000 0.004 0.000 1.325 472 F HN 0.320 nan 8.300 nan 0.000 0.453 473 D N 2.092 122.607 120.400 0.191 0.000 2.198 473 D HA 0.479 5.119 4.640 -0.000 0.000 0.245 473 D C -0.222 176.202 176.300 0.208 0.000 1.079 473 D CA 0.046 54.090 54.000 0.073 0.000 0.854 473 D CB 2.026 42.868 40.800 0.069 0.000 1.148 473 D HN 0.571 nan 8.370 nan 0.000 0.456 474 I N 2.522 123.140 120.570 0.080 0.000 2.474 474 I HA 0.089 4.259 4.170 -0.000 0.000 0.287 474 I C 1.064 177.240 176.117 0.099 0.000 1.048 474 I CA -0.189 61.201 61.300 0.150 0.000 1.383 474 I CB 0.507 38.550 38.000 0.071 0.000 1.412 474 I HN 0.005 nan 8.210 nan 0.000 0.531 475 K N 0.000 120.460 120.400 0.100 0.000 2.780 475 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 475 K CA 0.000 56.324 56.287 0.061 0.000 0.838 475 K CB 0.000 32.532 32.500 0.054 0.000 1.064 475 K HN 0.000 nan 8.250 nan 0.000 0.543