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 2jiw_1_B DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDLPA VYQLNGGEEA NPHAVKVLKE LLSGKQSSKK DATA SEQUENCE GMLISIGEKG DKSVRKYSRQ IPDHKEGYYL SVNEKEIVLA GNDERGTYYA DATA SEQUENCE LQTFAQLLKD GKLPEVEIKD YPSVRYRGVV EGFYGTPWSH QARLSQLKFY DATA SEQUENCE GKNKMNTYIY GPKDDPYHSA PNWRLPYPDK EAAQLQELVA VANENEVDFV DATA SEQUENCE WAIHPGQDIK WNKEDRDLLL AKFEKMYQLG VRSFAVFFDD ISGEGTNPQK DATA SEQUENCE QAELLNYIDE KFAQVKPDIN QLVMCPTEYN KSWSNPNGNY LTTLGDKLNP DATA SEQUENCE SIQIMWTGDR VISDITRDGI SWINERIKRP AYIWWNFPVS DYVRDHLLLG DATA SEQUENCE PVYGNDTTIA KEMSGFVTNP MEHAESSKIA IYSVASYAWN PAKYDTWQTW DATA SEQUENCE KDAIRTILPS AAEELECFAM HNSDLGPNGH GYRREESMDI QPAAERFLKA DATA SEQUENCE FKEGKNYDKA DFETLQYTFE RMKESADILL MNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEMGEEVL KMVEGRNESY FLRKYNHVKA LQQQMFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATTDYMPH 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.592 174.600 -0.013 0.000 1.055 4 S CA 0.000 58.207 58.200 0.011 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 L N 2.274 123.481 121.223 -0.026 0.000 2.307 5 L HA 0.601 4.941 4.340 0.001 0.000 0.284 5 L C -0.572 176.249 176.870 -0.081 0.000 1.023 5 L CA -0.508 54.294 54.840 -0.063 0.000 0.810 5 L CB 1.337 43.358 42.059 -0.063 0.000 1.231 5 L HN 0.467 nan 8.230 nan 0.000 0.423 6 Q N 3.779 123.493 119.800 -0.143 0.000 2.292 6 Q HA 0.425 4.766 4.340 0.001 0.000 0.270 6 Q C -2.499 173.249 176.000 -0.420 0.000 1.024 6 Q CA -1.857 53.805 55.803 -0.235 0.000 0.768 6 Q CB 2.723 31.333 28.738 -0.212 0.000 1.250 6 Q HN 0.287 nan 8.270 nan 0.000 0.447 7 P HA 0.145 nan 4.420 nan 0.000 0.272 7 P C -2.452 174.713 177.300 -0.225 0.000 1.223 7 P CA -1.153 61.754 63.100 -0.322 0.000 0.784 7 P CB -0.045 31.422 31.700 -0.388 0.000 0.923 8 P HA 0.135 nan 4.420 nan 0.000 0.271 8 P C -2.470 174.846 177.300 0.028 0.000 1.220 8 P CA -1.413 61.676 63.100 -0.018 0.000 0.768 8 P CB -0.632 31.079 31.700 0.018 0.000 0.848 9 P HA 0.045 nan 4.420 nan 0.000 0.270 9 P C 1.133 178.427 177.300 -0.011 0.000 1.223 9 P CA 0.014 63.146 63.100 0.053 0.000 0.785 9 P CB 0.660 32.375 31.700 0.025 0.000 0.923 10 Q N 0.153 119.885 119.800 -0.113 0.000 2.084 10 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 10 Q C 0.780 176.710 176.000 -0.117 0.000 0.978 10 Q CA 1.660 57.315 55.803 -0.248 0.000 0.844 10 Q CB 0.075 28.437 28.738 -0.627 0.000 0.898 10 Q HN 0.591 nan 8.270 nan 0.000 0.426 11 Q N -0.150 119.609 119.800 -0.067 0.000 2.285 11 Q HA 0.507 4.847 4.340 0.001 0.000 0.269 11 Q C -1.989 174.017 176.000 0.010 0.000 1.030 11 Q CA -0.474 55.324 55.803 -0.009 0.000 0.788 11 Q CB 1.594 30.348 28.738 0.027 0.000 1.266 11 Q HN 0.120 nan 8.270 nan 0.000 0.438 12 L N 4.956 126.189 121.223 0.016 0.000 2.476 12 L HA 0.603 4.944 4.340 0.001 0.000 0.269 12 L C -2.056 174.829 176.870 0.026 0.000 0.965 12 L CA -0.196 54.657 54.840 0.023 0.000 0.845 12 L CB 1.777 43.844 42.059 0.013 0.000 1.259 12 L HN 0.664 nan 8.230 nan 0.000 0.403 13 I N 5.846 126.437 120.570 0.034 0.000 2.382 13 I HA 0.431 4.602 4.170 0.001 0.000 0.285 13 I C -0.702 175.430 176.117 0.026 0.000 1.007 13 I CA -0.898 60.422 61.300 0.033 0.000 1.142 13 I CB 1.904 39.932 38.000 0.047 0.000 1.289 13 I HN 0.421 nan 8.210 nan 0.000 0.453 14 V N 7.182 127.107 119.914 0.018 0.000 2.370 14 V HA 0.357 4.478 4.120 0.001 0.000 0.283 14 V C -0.119 175.983 176.094 0.013 0.000 1.023 14 V CA -0.406 61.901 62.300 0.012 0.000 0.857 14 V CB 1.468 33.293 31.823 0.004 0.000 0.985 14 V HN 0.602 nan 8.190 nan 0.000 0.443 15 Q N 4.556 124.364 119.800 0.014 0.000 2.299 15 Q HA 0.341 4.682 4.340 0.001 0.000 0.246 15 Q C -0.279 175.726 176.000 0.008 0.000 0.935 15 Q CA -0.245 55.566 55.803 0.014 0.000 0.887 15 Q CB 0.677 29.426 28.738 0.018 0.000 1.223 15 Q HN 0.671 nan 8.270 nan 0.000 0.439 16 N N 2.324 121.028 118.700 0.007 0.000 3.331 16 N HA 0.137 4.877 4.740 0.001 0.000 0.303 16 N C -0.574 174.937 175.510 0.003 0.000 1.326 16 N CA 0.114 53.166 53.050 0.003 0.000 1.207 16 N CB 0.475 38.964 38.487 0.003 0.000 1.477 16 N HN 0.259 nan 8.380 nan 0.000 0.541 17 K N -0.287 120.115 120.400 0.002 0.000 2.477 17 K HA 0.408 4.729 4.320 0.001 0.000 0.255 17 K C -0.441 176.157 176.600 -0.002 0.000 0.952 17 K CA -0.705 55.583 56.287 0.003 0.000 0.826 17 K CB 2.147 34.652 32.500 0.008 0.000 1.331 17 K HN 0.148 nan 8.250 nan 0.000 0.437 18 T N -0.362 114.190 114.554 -0.004 0.000 2.863 18 T HA 0.716 5.066 4.350 0.001 0.000 0.285 18 T C -0.351 174.346 174.700 -0.004 0.000 1.009 18 T CA -0.877 61.217 62.100 -0.009 0.000 0.989 18 T CB 0.596 69.454 68.868 -0.016 0.000 1.004 18 T HN 0.524 nan 8.240 nan 0.000 0.455 19 I N -0.690 119.877 120.570 -0.005 0.000 2.693 19 I HA 0.731 4.902 4.170 0.001 0.000 0.303 19 I C -1.025 175.091 176.117 -0.002 0.000 1.025 19 I CA -0.993 60.310 61.300 0.004 0.000 1.086 19 I CB 1.732 39.741 38.000 0.016 0.000 1.268 19 I HN 0.380 nan 8.210 nan 0.000 0.440 20 D N 4.078 124.482 120.400 0.006 0.000 2.302 20 D HA 0.267 4.908 4.640 0.001 0.000 0.248 20 D C -0.307 176.002 176.300 0.016 0.000 1.094 20 D CA -0.121 53.882 54.000 0.005 0.000 0.897 20 D CB 1.697 42.504 40.800 0.011 0.000 1.200 20 D HN 0.514 nan 8.370 nan 0.000 0.429 21 L N 4.367 125.595 121.223 0.009 0.000 2.513 21 L HA 0.147 4.487 4.340 0.001 0.000 0.272 21 L C -2.083 174.816 176.870 0.049 0.000 1.187 21 L CA -0.816 54.041 54.840 0.029 0.000 0.895 21 L CB 0.092 42.156 42.059 0.007 0.000 1.147 21 L HN 0.179 nan 8.230 nan 0.000 0.483 22 P HA 0.187 nan 4.420 nan 0.000 0.265 22 P C 0.221 177.618 177.300 0.161 0.000 1.222 22 P CA 0.904 64.074 63.100 0.116 0.000 0.767 22 P CB 0.869 32.663 31.700 0.157 0.000 0.801 23 A N 3.583 126.486 122.820 0.139 0.000 4.727 23 A HA -0.192 4.128 4.320 0.001 0.000 0.280 23 A C -0.001 177.651 177.584 0.115 0.000 2.198 23 A CA 1.027 53.125 52.037 0.101 0.000 0.720 23 A CB -2.307 16.740 19.000 0.078 0.000 1.138 23 A HN 0.672 nan 8.150 nan 0.000 0.335 24 V N -2.336 117.641 119.914 0.105 0.000 2.525 24 V HA 0.778 4.899 4.120 0.001 0.000 0.299 24 V C -0.586 175.569 176.094 0.102 0.000 1.034 24 V CA 0.035 62.369 62.300 0.057 0.000 0.863 24 V CB 0.885 32.708 31.823 0.001 0.000 0.999 24 V HN 1.941 nan 8.190 nan 0.000 0.423 25 Y N 1.144 121.452 120.300 0.012 0.000 2.499 25 Y HA 0.752 5.302 4.550 0.001 0.000 0.347 25 Y C -0.428 175.477 175.900 0.008 0.000 0.987 25 Y CA -1.221 56.886 58.100 0.011 0.000 1.044 25 Y CB 2.171 40.638 38.460 0.011 0.000 1.245 25 Y HN 0.666 nan 8.280 nan 0.000 0.461 26 Q N 4.102 123.978 119.800 0.127 0.000 2.400 26 Q HA 0.352 4.693 4.340 0.001 0.000 0.255 26 Q C -1.412 174.696 176.000 0.179 0.000 1.008 26 Q CA -0.640 55.202 55.803 0.065 0.000 0.841 26 Q CB 1.254 30.020 28.738 0.047 0.000 1.220 26 Q HN 0.920 nan 8.270 nan 0.000 0.474 27 L N 4.354 125.702 121.223 0.209 0.000 2.319 27 L HA 0.279 4.620 4.340 0.001 0.000 0.280 27 L C -0.529 176.398 176.870 0.094 0.000 1.099 27 L CA 0.085 55.042 54.840 0.195 0.000 0.828 27 L CB 0.639 42.846 42.059 0.247 0.000 1.150 27 L HN 0.573 nan 8.230 nan 0.000 0.442 28 N N 2.645 121.388 118.700 0.072 0.000 2.442 28 N HA 0.390 5.130 4.740 0.001 0.000 0.274 28 N C 0.420 175.957 175.510 0.045 0.000 1.002 28 N CA 0.657 53.741 53.050 0.057 0.000 0.910 28 N CB 1.871 40.400 38.487 0.069 0.000 1.244 28 N HN 0.820 nan 8.380 nan 0.000 0.492 29 G N 1.855 110.677 108.800 0.037 0.000 2.176 29 G HA2 -0.240 3.720 3.960 0.001 0.000 0.232 29 G HA3 -0.240 3.720 3.960 0.001 0.000 0.232 29 G C 1.040 175.950 174.900 0.017 0.000 0.986 29 G CA 0.364 45.481 45.100 0.028 0.000 0.643 29 G HN 0.723 nan 8.290 nan 0.000 0.522 30 G N 0.191 109.003 108.800 0.019 0.000 2.469 30 G HA2 -0.106 3.855 3.960 0.001 0.000 0.220 30 G HA3 -0.106 3.855 3.960 0.001 0.000 0.220 30 G C 1.313 176.217 174.900 0.006 0.000 1.136 30 G CA 1.585 46.693 45.100 0.014 0.000 0.759 30 G HN 0.495 nan 8.290 nan 0.000 0.562 31 E N -0.040 120.164 120.200 0.008 0.000 2.371 31 E HA 0.034 4.385 4.350 0.001 0.000 0.194 31 E C 2.071 178.668 176.600 -0.004 0.000 1.012 31 E CA 0.388 56.789 56.400 0.001 0.000 0.860 31 E CB 0.239 29.941 29.700 0.004 0.000 0.811 31 E HN 0.604 nan 8.360 nan 0.000 0.502 32 E N -0.144 120.056 120.200 -0.000 0.000 2.372 32 E HA 0.183 4.534 4.350 0.001 0.000 0.201 32 E C 0.451 177.048 176.600 -0.005 0.000 0.938 32 E CA -0.104 56.295 56.400 -0.001 0.000 0.944 32 E CB 0.728 30.433 29.700 0.008 0.000 0.937 32 E HN 0.011 nan 8.360 nan 0.000 0.495 33 A N 1.718 124.536 122.820 -0.004 0.000 2.346 33 A HA 0.074 4.395 4.320 0.001 0.000 0.252 33 A C 0.322 177.891 177.584 -0.024 0.000 1.089 33 A CA -0.404 51.630 52.037 -0.004 0.000 0.797 33 A CB 0.139 19.137 19.000 -0.003 0.000 1.047 33 A HN 0.126 nan 8.150 nan 0.000 0.494 34 N N 1.001 119.689 118.700 -0.020 0.000 2.256 34 N HA -0.011 4.729 4.740 0.001 0.000 0.277 34 N C -1.794 173.672 175.510 -0.074 0.000 1.362 34 N CA -1.103 51.915 53.050 -0.054 0.000 0.861 34 N CB 0.478 38.968 38.487 0.005 0.000 1.136 34 N HN 0.181 nan 8.380 nan 0.000 0.492 35 P HA -0.141 nan 4.420 nan 0.000 0.216 35 P C 0.509 177.775 177.300 -0.056 0.000 1.150 35 P CA 1.511 64.529 63.100 -0.137 0.000 0.843 35 P CB 0.035 31.608 31.700 -0.212 0.000 0.787 36 H N -0.883 118.204 119.070 0.028 0.000 2.352 36 H HA -0.070 4.486 4.556 0.001 0.000 0.299 36 H C 2.023 177.488 175.328 0.228 0.000 1.097 36 H CA 1.053 57.147 56.048 0.076 0.000 1.311 36 H CB -0.448 29.260 29.762 -0.089 0.000 1.377 36 H HN 0.095 nan 8.280 nan 0.000 0.504 37 A N 0.627 123.637 122.820 0.316 0.000 1.898 37 A HA -0.105 4.216 4.320 0.001 0.000 0.216 37 A C 2.565 180.182 177.584 0.055 0.000 1.181 37 A CA 1.329 53.475 52.037 0.181 0.000 0.620 37 A CB -0.688 18.374 19.000 0.102 0.000 0.819 37 A HN 0.218 nan 8.150 nan 0.000 0.442 38 V N 0.449 120.384 119.914 0.035 0.000 2.407 38 V HA -0.286 3.834 4.120 0.001 0.000 0.248 38 V C 2.517 178.622 176.094 0.018 0.000 1.055 38 V CA 2.411 64.713 62.300 0.003 0.000 1.049 38 V CB -0.717 31.105 31.823 -0.003 0.000 0.662 38 V HN 0.718 nan 8.190 nan 0.000 0.455 39 K N 0.198 120.630 120.400 0.054 0.000 2.026 39 K HA -0.164 4.156 4.320 0.001 0.000 0.208 39 K C 2.051 178.680 176.600 0.049 0.000 1.048 39 K CA 1.796 58.120 56.287 0.061 0.000 0.929 39 K CB -0.244 32.314 32.500 0.096 0.000 0.713 39 K HN 0.315 nan 8.250 nan 0.000 0.439 40 V N 2.161 122.109 119.914 0.057 0.000 2.287 40 V HA -0.285 3.835 4.120 0.001 0.000 0.248 40 V C 2.356 178.447 176.094 -0.006 0.000 1.053 40 V CA 1.998 64.307 62.300 0.015 0.000 1.027 40 V CB -0.564 31.236 31.823 -0.037 0.000 0.646 40 V HN 0.439 nan 8.190 nan 0.000 0.447 41 L N -0.225 120.977 121.223 -0.035 0.000 2.012 41 L HA -0.239 4.102 4.340 0.001 0.000 0.210 41 L C 2.679 179.511 176.870 -0.063 0.000 1.073 41 L CA 1.979 56.772 54.840 -0.079 0.000 0.748 41 L CB -0.333 41.636 42.059 -0.150 0.000 0.891 41 L HN 0.280 nan 8.230 nan 0.000 0.431 42 K N -0.331 120.049 120.400 -0.034 0.000 2.148 42 K HA -0.185 4.135 4.320 0.001 0.000 0.204 42 K C 1.895 178.498 176.600 0.005 0.000 1.050 42 K CA 1.532 57.812 56.287 -0.011 0.000 0.942 42 K CB -0.057 32.457 32.500 0.023 0.000 0.724 42 K HN 0.463 nan 8.250 nan 0.000 0.446 43 E N 0.892 121.097 120.200 0.009 0.000 2.077 43 E HA -0.151 4.200 4.350 0.001 0.000 0.193 43 E C 1.912 178.516 176.600 0.006 0.000 0.989 43 E CA 0.954 57.361 56.400 0.012 0.000 0.800 43 E CB -0.045 29.663 29.700 0.014 0.000 0.746 43 E HN 0.213 nan 8.360 nan 0.000 0.452 44 L N 0.075 121.302 121.223 0.006 0.000 2.201 44 L HA -0.145 4.195 4.340 0.001 0.000 0.212 44 L C 1.700 178.568 176.870 -0.003 0.000 1.105 44 L CA 0.364 55.211 54.840 0.012 0.000 0.775 44 L CB -0.059 42.041 42.059 0.069 0.000 0.913 44 L HN 0.138 nan 8.230 nan 0.000 0.440 45 L N -0.409 120.792 121.223 -0.036 0.000 2.628 45 L HA 0.120 4.461 4.340 0.001 0.000 0.229 45 L C 1.234 178.122 176.870 0.029 0.000 1.137 45 L CA 0.162 54.953 54.840 -0.081 0.000 0.909 45 L CB -0.521 41.340 42.059 -0.330 0.000 1.137 45 L HN 0.151 nan 8.230 nan 0.000 0.470 46 S N -0.559 115.161 115.700 0.034 0.000 2.549 46 S HA 0.408 4.879 4.470 0.001 0.000 0.286 46 S C 1.251 175.888 174.600 0.061 0.000 1.314 46 S CA -0.013 58.221 58.200 0.055 0.000 1.062 46 S CB 0.587 63.808 63.200 0.035 0.000 0.865 46 S HN 0.589 nan 8.310 nan 0.000 0.498 47 G N 2.441 111.284 108.800 0.071 0.000 2.246 47 G HA2 -0.257 3.704 3.960 0.001 0.000 0.273 47 G HA3 -0.257 3.704 3.960 0.001 0.000 0.273 47 G C 0.249 175.200 174.900 0.084 0.000 1.055 47 G CA 0.538 45.675 45.100 0.062 0.000 0.851 47 G HN 0.774 nan 8.290 nan 0.000 0.500 48 K N -0.947 119.541 120.400 0.146 0.000 2.477 48 K HA 0.207 4.528 4.320 0.001 0.000 0.208 48 K C 0.718 177.436 176.600 0.197 0.000 1.117 48 K CA -0.107 56.298 56.287 0.198 0.000 1.039 48 K CB 0.547 33.188 32.500 0.236 0.000 0.937 48 K HN 0.474 nan 8.250 nan 0.000 0.570 49 Q N 1.172 121.040 119.800 0.112 0.000 2.867 49 Q HA -0.131 4.209 4.340 0.001 0.000 0.141 49 Q C -0.812 174.890 176.000 -0.497 0.000 1.519 49 Q CA 0.234 55.979 55.803 -0.096 0.000 0.471 49 Q CB -0.593 28.105 28.738 -0.067 0.000 0.652 49 Q HN 0.235 nan 8.270 nan 0.000 0.319 50 S N 1.101 116.455 115.700 -0.576 0.000 2.576 50 S HA 0.538 5.008 4.470 0.001 0.000 0.276 50 S C -0.046 174.310 174.600 -0.406 0.000 1.339 50 S CA 0.555 58.291 58.200 -0.774 0.000 1.039 50 S CB 1.509 64.496 63.200 -0.356 0.000 0.902 50 S HN 0.533 nan 8.310 nan 0.000 0.516 51 S N 1.465 116.962 115.700 -0.339 0.000 2.840 51 S HA 0.585 5.056 4.470 0.001 0.000 0.307 51 S C -0.004 174.535 174.600 -0.103 0.000 1.180 51 S CA -0.619 57.475 58.200 -0.176 0.000 0.846 51 S CB 1.324 64.433 63.200 -0.152 0.000 1.233 51 S HN 0.674 nan 8.310 nan 0.000 0.548 52 K N 0.517 120.879 120.400 -0.062 0.000 2.350 52 K HA 0.367 4.687 4.320 0.001 0.000 0.196 52 K C 0.247 176.836 176.600 -0.018 0.000 1.084 52 K CA 0.731 56.998 56.287 -0.033 0.000 0.967 52 K CB 0.080 32.565 32.500 -0.025 0.000 0.950 52 K HN 0.560 nan 8.250 nan 0.000 0.512 53 K N -1.374 119.014 120.400 -0.020 0.000 2.380 53 K HA 0.737 5.058 4.320 0.001 0.000 0.243 53 K C -0.007 176.591 176.600 -0.003 0.000 1.071 53 K CA -0.848 55.437 56.287 -0.005 0.000 0.942 53 K CB 0.700 33.200 32.500 -0.000 0.000 1.324 53 K HN 0.071 nan 8.250 nan 0.000 0.517 54 G N 0.152 108.961 108.800 0.014 0.000 2.757 54 G HA2 -0.231 3.730 3.960 0.001 0.000 0.638 54 G HA3 -0.231 3.730 3.960 0.001 0.000 0.638 54 G C -0.575 174.356 174.900 0.052 0.000 1.344 54 G CA -0.310 44.808 45.100 0.029 0.000 0.855 54 G HN 0.769 nan 8.290 nan 0.000 0.537 55 M N -0.070 119.575 119.600 0.075 0.000 2.260 55 M HA 0.324 4.804 4.480 0.001 0.000 0.348 55 M C 0.505 176.867 176.300 0.104 0.000 1.342 55 M CA -0.379 54.972 55.300 0.085 0.000 1.040 55 M CB 0.217 32.870 32.600 0.089 0.000 1.810 55 M HN 0.834 nan 8.290 nan 0.000 0.453 56 L N 7.294 128.567 121.223 0.083 0.000 2.319 56 L HA 0.423 4.763 4.340 0.001 0.000 0.280 56 L C -1.071 175.838 176.870 0.065 0.000 1.099 56 L CA 0.468 55.359 54.840 0.084 0.000 0.828 56 L CB 0.415 42.524 42.059 0.083 0.000 1.150 56 L HN 0.601 nan 8.230 nan 0.000 0.442 57 I N 4.570 125.177 120.570 0.062 0.000 2.382 57 I HA 0.274 4.444 4.170 0.001 0.000 0.285 57 I C -0.303 175.806 176.117 -0.013 0.000 1.007 57 I CA -0.298 60.991 61.300 -0.018 0.000 1.142 57 I CB 1.329 39.277 38.000 -0.086 0.000 1.289 57 I HN 0.545 nan 8.210 nan 0.000 0.453 58 S N 7.345 123.028 115.700 -0.029 0.000 2.422 58 S HA 0.536 5.007 4.470 0.001 0.000 0.298 58 S C -0.340 174.231 174.600 -0.047 0.000 1.118 58 S CA -0.410 57.797 58.200 0.011 0.000 1.083 58 S CB 1.144 64.412 63.200 0.113 0.000 0.971 58 S HN 0.482 nan 8.310 nan 0.000 0.478 59 I N 3.093 123.646 120.570 -0.028 0.000 2.465 59 I HA 0.800 4.970 4.170 0.001 0.000 0.291 59 I C 0.090 176.213 176.117 0.008 0.000 1.014 59 I CA 0.095 61.368 61.300 -0.044 0.000 1.093 59 I CB 1.253 39.205 38.000 -0.079 0.000 1.267 59 I HN 0.771 nan 8.210 nan 0.000 0.431 60 G N 5.155 113.970 108.800 0.026 0.000 2.356 60 G HA2 0.308 4.269 3.960 0.001 0.000 0.294 60 G HA3 0.308 4.269 3.960 0.001 0.000 0.294 60 G C -1.946 172.994 174.900 0.066 0.000 1.423 60 G CA -0.734 44.394 45.100 0.046 0.000 0.806 60 G HN 0.502 nan 8.290 nan 0.000 0.527 61 E N 0.265 120.502 120.200 0.062 0.000 2.283 61 E HA 0.460 4.810 4.350 0.001 0.000 0.267 61 E C 0.344 176.993 176.600 0.082 0.000 1.045 61 E CA -0.726 55.719 56.400 0.075 0.000 0.884 61 E CB 0.979 30.712 29.700 0.056 0.000 1.106 61 E HN 0.690 nan 8.360 nan 0.000 0.408 62 K N 0.398 120.852 120.400 0.090 0.000 2.511 62 K HA 0.223 4.543 4.320 0.001 0.000 0.280 62 K C 0.810 177.443 176.600 0.054 0.000 1.008 62 K CA 0.547 56.883 56.287 0.081 0.000 1.050 62 K CB 0.087 32.629 32.500 0.071 0.000 0.889 62 K HN 0.618 nan 8.250 nan 0.000 0.484 63 G N 1.756 110.584 108.800 0.047 0.000 2.241 63 G HA2 -0.233 3.727 3.960 0.001 0.000 0.244 63 G HA3 -0.233 3.727 3.960 0.001 0.000 0.244 63 G C -0.472 174.446 174.900 0.030 0.000 0.998 63 G CA 0.202 45.320 45.100 0.030 0.000 0.621 63 G HN 0.760 nan 8.290 nan 0.000 0.519 64 D N 0.744 121.169 120.400 0.041 0.000 2.399 64 D HA 0.362 5.003 4.640 0.001 0.000 0.241 64 D C 1.771 178.095 176.300 0.040 0.000 1.133 64 D CA 0.446 54.469 54.000 0.038 0.000 0.890 64 D CB 0.852 41.679 40.800 0.044 0.000 1.201 64 D HN 0.632 nan 8.370 nan 0.000 0.432 65 K N -0.200 120.218 120.400 0.030 0.000 2.148 65 K HA -0.147 4.174 4.320 0.001 0.000 0.204 65 K C 1.611 178.235 176.600 0.040 0.000 1.050 65 K CA 1.210 57.511 56.287 0.025 0.000 0.942 65 K CB -0.165 32.345 32.500 0.016 0.000 0.724 65 K HN 0.294 nan 8.250 nan 0.000 0.446 66 S N 1.355 117.090 115.700 0.057 0.000 2.383 66 S HA -0.144 4.327 4.470 0.001 0.000 0.229 66 S C 1.961 176.655 174.600 0.156 0.000 1.030 66 S CA 1.310 59.563 58.200 0.088 0.000 1.002 66 S CB -0.630 62.616 63.200 0.076 0.000 0.829 66 S HN 0.398 nan 8.310 nan 0.000 0.467 67 V N -2.753 117.259 119.914 0.162 0.000 3.398 67 V HA 0.502 4.623 4.120 0.001 0.000 0.298 67 V C 1.864 178.077 176.094 0.199 0.000 1.496 67 V CA 0.034 62.515 62.300 0.302 0.000 1.044 67 V CB -0.533 31.461 31.823 0.286 0.000 0.880 67 V HN 0.302 nan 8.190 nan 0.000 0.443 68 R N 1.424 121.966 120.500 0.070 0.000 2.117 68 R HA -0.162 4.179 4.340 0.001 0.000 0.243 68 R C 2.219 178.484 176.300 -0.058 0.000 1.143 68 R CA 2.222 58.331 56.100 0.015 0.000 0.968 68 R CB -0.323 29.976 30.300 -0.003 0.000 0.863 68 R HN 0.543 nan 8.270 nan 0.000 0.444 69 K N -0.977 119.313 120.400 -0.184 0.000 2.163 69 K HA -0.222 4.098 4.320 0.001 0.000 0.210 69 K C 0.830 177.182 176.600 -0.413 0.000 1.048 69 K CA 1.949 57.991 56.287 -0.409 0.000 0.928 69 K CB -0.114 31.881 32.500 -0.842 0.000 0.716 69 K HN 0.328 nan 8.250 nan 0.000 0.459 70 Y N -0.471 119.835 120.300 0.009 0.000 2.571 70 Y HA 0.082 4.633 4.550 0.001 0.000 0.275 70 Y C 1.916 177.766 175.900 -0.083 0.000 1.179 70 Y CA 0.036 58.116 58.100 -0.034 0.000 1.242 70 Y CB -0.009 38.492 38.460 0.068 0.000 1.126 70 Y HN 0.086 nan 8.280 nan 0.000 0.524 71 S N 0.302 116.026 115.700 0.040 0.000 2.400 71 S HA -0.248 4.223 4.470 0.001 0.000 0.232 71 S C 1.926 176.511 174.600 -0.025 0.000 1.025 71 S CA 1.125 59.336 58.200 0.017 0.000 0.993 71 S CB -0.206 62.995 63.200 0.001 0.000 0.808 71 S HN 0.499 nan 8.310 nan 0.000 0.478 72 R N 0.514 120.983 120.500 -0.052 0.000 2.235 72 R HA 0.115 4.456 4.340 0.001 0.000 0.213 72 R C 2.240 178.471 176.300 -0.114 0.000 1.059 72 R CA 1.060 57.118 56.100 -0.069 0.000 0.997 72 R CB -0.123 30.141 30.300 -0.061 0.000 0.884 72 R HN 0.493 nan 8.270 nan 0.000 0.462 73 Q N 0.089 119.762 119.800 -0.212 0.000 2.354 73 Q HA 0.117 4.458 4.340 0.001 0.000 0.203 73 Q C 0.587 176.434 176.000 -0.254 0.000 0.933 73 Q CA 0.530 56.067 55.803 -0.444 0.000 0.901 73 Q CB 0.456 28.443 28.738 -1.252 0.000 1.007 73 Q HN 0.333 nan 8.270 nan 0.000 0.495 74 I N 3.553 124.077 120.570 -0.077 0.000 2.396 74 I HA 0.111 4.281 4.170 0.001 0.000 0.289 74 I C -2.099 174.061 176.117 0.070 0.000 1.056 74 I CA -1.943 59.405 61.300 0.080 0.000 1.365 74 I CB 0.788 38.859 38.000 0.119 0.000 1.407 74 I HN -0.197 nan 8.210 nan 0.000 0.509 75 P HA -0.029 nan 4.420 nan 0.000 0.267 75 P C -0.548 176.773 177.300 0.035 0.000 1.205 75 P CA -0.092 63.081 63.100 0.121 0.000 0.765 75 P CB 0.412 32.260 31.700 0.247 0.000 0.828 76 D N 3.214 123.535 120.400 -0.132 0.000 2.713 76 D HA 0.038 4.679 4.640 0.001 0.000 0.229 76 D C -0.626 175.362 176.300 -0.519 0.000 1.136 76 D CA 0.105 53.955 54.000 -0.251 0.000 1.010 76 D CB -0.713 39.933 40.800 -0.256 0.000 1.084 76 D HN 0.301 nan 8.370 nan 0.000 0.495 77 H N 1.122 120.103 119.070 -0.148 0.000 2.865 77 H HA 0.218 4.775 4.556 0.001 0.000 0.362 77 H C 0.005 175.305 175.328 -0.045 0.000 1.114 77 H CA -0.824 55.118 56.048 -0.177 0.000 1.208 77 H CB 1.402 30.934 29.762 -0.383 0.000 1.727 77 H HN 0.099 nan 8.280 nan 0.000 0.534 78 K N 1.786 122.230 120.400 0.073 0.000 2.524 78 K HA -0.092 4.228 4.320 0.001 0.000 0.279 78 K C 0.358 177.050 176.600 0.152 0.000 0.993 78 K CA 0.741 57.080 56.287 0.086 0.000 1.030 78 K CB 0.536 33.061 32.500 0.042 0.000 0.891 78 K HN 0.736 nan 8.250 nan 0.000 0.488 79 E N -1.227 119.098 120.200 0.208 0.000 3.673 79 E HA -0.194 4.156 4.350 0.001 0.000 0.309 79 E C 0.484 177.394 176.600 0.516 0.000 0.819 79 E CA 0.650 57.269 56.400 0.365 0.000 1.111 79 E CB -1.449 28.533 29.700 0.470 0.000 1.561 79 E HN 0.846 nan 8.360 nan 0.000 0.450 80 G N 0.185 109.209 108.800 0.372 0.000 2.537 80 G HA2 0.479 4.440 3.960 0.001 0.000 0.273 80 G HA3 0.479 4.440 3.960 0.001 0.000 0.273 80 G C -0.407 174.754 174.900 0.434 0.000 1.189 80 G CA 0.171 45.497 45.100 0.377 0.000 0.881 80 G HN 0.249 nan 8.290 nan 0.000 0.535 81 Y N -1.583 118.911 120.300 0.324 0.000 2.624 81 Y HA 0.624 5.174 4.550 0.001 0.000 0.334 81 Y C -1.906 174.166 175.900 0.288 0.000 1.155 81 Y CA -2.154 56.105 58.100 0.264 0.000 1.046 81 Y CB 1.319 39.917 38.460 0.229 0.000 1.316 81 Y HN 0.658 nan 8.280 nan 0.000 0.457 82 Y N 3.750 124.211 120.300 0.268 0.000 2.364 82 Y HA 0.738 5.288 4.550 0.001 0.000 0.340 82 Y C -1.779 174.258 175.900 0.227 0.000 0.975 82 Y CA -1.861 56.336 58.100 0.163 0.000 1.089 82 Y CB 1.642 40.160 38.460 0.097 0.000 1.192 82 Y HN 0.978 nan 8.280 nan 0.000 0.454 83 L N 5.697 126.768 121.223 -0.254 0.000 2.362 83 L HA 0.749 5.089 4.340 0.001 0.000 0.275 83 L C -1.238 175.267 176.870 -0.608 0.000 0.998 83 L CA -0.338 54.311 54.840 -0.317 0.000 0.820 83 L CB 1.736 43.826 42.059 0.052 0.000 1.270 83 L HN 0.685 nan 8.230 nan 0.000 0.415 84 S N 3.518 118.883 115.700 -0.558 0.000 2.571 84 S HA 0.757 5.227 4.470 0.001 0.000 0.284 84 S C -1.447 173.055 174.600 -0.163 0.000 1.128 84 S CA -0.461 57.509 58.200 -0.383 0.000 0.970 84 S CB 1.721 64.666 63.200 -0.424 0.000 1.039 84 S HN 0.413 nan 8.310 nan 0.000 0.485 85 V N 5.776 125.653 119.914 -0.061 0.000 2.483 85 V HA 0.589 4.709 4.120 0.001 0.000 0.297 85 V C -0.491 175.608 176.094 0.009 0.000 1.027 85 V CA -0.788 61.513 62.300 0.002 0.000 0.855 85 V CB 1.349 33.201 31.823 0.049 0.000 0.995 85 V HN 0.980 nan 8.190 nan 0.000 0.424 86 N N 2.371 121.083 118.700 0.019 0.000 3.229 86 N HA 0.393 5.133 4.740 0.001 0.000 0.315 86 N C 0.525 176.055 175.510 0.033 0.000 1.520 86 N CA -0.871 52.197 53.050 0.029 0.000 0.769 86 N CB 0.796 39.307 38.487 0.040 0.000 1.766 86 N HN 0.382 nan 8.380 nan 0.000 0.618 87 E N -0.399 119.821 120.200 0.034 0.000 2.150 87 E HA -0.171 4.179 4.350 0.001 0.000 0.193 87 E C 1.039 177.663 176.600 0.040 0.000 0.985 87 E CA 0.832 57.252 56.400 0.034 0.000 0.814 87 E CB 0.091 29.809 29.700 0.030 0.000 0.752 87 E HN 0.620 nan 8.360 nan 0.000 0.466 88 K N 1.367 121.795 120.400 0.046 0.000 2.021 88 K HA -0.099 4.221 4.320 0.001 0.000 0.205 88 K C 0.744 177.378 176.600 0.057 0.000 1.047 88 K CA 1.211 57.529 56.287 0.053 0.000 0.943 88 K CB 0.347 32.884 32.500 0.062 0.000 0.725 88 K HN 0.203 nan 8.250 nan 0.000 0.439 89 E N -0.672 119.560 120.200 0.053 0.000 2.437 89 E HA 0.321 4.672 4.350 0.001 0.000 0.280 89 E C -1.196 175.408 176.600 0.006 0.000 1.044 89 E CA -0.834 55.592 56.400 0.044 0.000 0.826 89 E CB 1.159 30.902 29.700 0.072 0.000 1.358 89 E HN 0.006 nan 8.360 nan 0.000 0.459 90 I N 1.270 121.825 120.570 -0.025 0.000 2.404 90 I HA 0.386 4.557 4.170 0.001 0.000 0.293 90 I C -0.894 175.117 176.117 -0.176 0.000 0.992 90 I CA -1.150 60.095 61.300 -0.091 0.000 1.149 90 I CB 1.969 39.913 38.000 -0.094 0.000 1.315 90 I HN 0.296 nan 8.210 nan 0.000 0.446 91 V N 7.527 127.280 119.914 -0.268 0.000 2.487 91 V HA 0.466 4.587 4.120 0.001 0.000 0.298 91 V C -0.319 175.583 176.094 -0.319 0.000 1.028 91 V CA -0.515 61.570 62.300 -0.357 0.000 0.860 91 V CB 1.874 33.337 31.823 -0.600 0.000 0.991 91 V HN 0.469 nan 8.190 nan 0.000 0.427 92 L N 4.683 125.765 121.223 -0.234 0.000 2.462 92 L HA 0.765 5.106 4.340 0.001 0.000 0.255 92 L C -0.049 176.787 176.870 -0.056 0.000 1.076 92 L CA -0.236 54.492 54.840 -0.186 0.000 0.920 92 L CB 1.450 43.332 42.059 -0.295 0.000 1.214 92 L HN 0.727 nan 8.230 nan 0.000 0.472 93 A N 1.735 124.589 122.820 0.057 0.000 2.340 93 A HA 0.797 5.117 4.320 0.001 0.000 0.297 93 A C 0.215 177.935 177.584 0.227 0.000 1.195 93 A CA -0.365 51.762 52.037 0.150 0.000 0.769 93 A CB 1.053 20.188 19.000 0.226 0.000 1.163 93 A HN 0.572 nan 8.150 nan 0.000 0.472 94 G N 0.828 109.739 108.800 0.185 0.000 2.448 94 G HA2 0.346 4.306 3.960 0.001 0.000 0.285 94 G HA3 0.346 4.306 3.960 0.001 0.000 0.285 94 G C 0.638 175.653 174.900 0.191 0.000 1.176 94 G CA -0.295 44.944 45.100 0.231 0.000 0.852 94 G HN 0.729 nan 8.290 nan 0.000 0.530 95 N N -0.161 118.661 118.700 0.204 0.000 2.166 95 N HA -0.064 4.677 4.740 0.001 0.000 0.186 95 N C 0.354 175.928 175.510 0.106 0.000 1.019 95 N CA 1.795 54.928 53.050 0.139 0.000 0.856 95 N CB 0.137 38.704 38.487 0.133 0.000 0.993 95 N HN 0.740 nan 8.380 nan 0.000 0.426 96 D N -2.778 117.692 120.400 0.117 0.000 2.664 96 D HA 0.180 4.820 4.640 0.001 0.000 0.292 96 D C 0.237 176.581 176.300 0.075 0.000 1.214 96 D CA -0.633 53.416 54.000 0.082 0.000 0.932 96 D CB 0.215 41.060 40.800 0.074 0.000 1.420 96 D HN -0.097 nan 8.370 nan 0.000 0.471 97 E N -0.660 119.568 120.200 0.046 0.000 2.077 97 E HA -0.187 4.164 4.350 0.001 0.000 0.193 97 E C 1.781 178.389 176.600 0.013 0.000 0.989 97 E CA 0.866 57.283 56.400 0.029 0.000 0.800 97 E CB 0.069 29.777 29.700 0.012 0.000 0.746 97 E HN 0.359 nan 8.360 nan 0.000 0.452 98 R N 0.379 120.865 120.500 -0.024 0.000 2.081 98 R HA -0.109 4.231 4.340 0.001 0.000 0.235 98 R C 2.437 178.609 176.300 -0.213 0.000 1.131 98 R CA 1.469 57.464 56.100 -0.174 0.000 0.960 98 R CB -0.480 29.712 30.300 -0.180 0.000 0.856 98 R HN 0.194 nan 8.270 nan 0.000 0.436 99 G N -0.551 108.280 108.800 0.053 0.000 2.505 99 G HA2 -0.299 3.661 3.960 0.001 0.000 0.220 99 G HA3 -0.299 3.661 3.960 0.001 0.000 0.220 99 G C 1.279 176.292 174.900 0.188 0.000 1.145 99 G CA 1.504 46.771 45.100 0.279 0.000 0.761 99 G HN 0.390 nan 8.290 nan 0.000 0.571 100 T N -0.400 114.214 114.554 0.101 0.000 2.777 100 T HA -0.148 4.203 4.350 0.001 0.000 0.266 100 T C 1.982 176.680 174.700 -0.004 0.000 1.040 100 T CA 1.232 63.358 62.100 0.044 0.000 1.141 100 T CB -0.334 68.563 68.868 0.047 0.000 0.868 100 T HN 0.374 nan 8.240 nan 0.000 0.444 101 Y N 0.935 121.162 120.300 -0.122 0.000 2.181 101 Y HA -0.214 4.336 4.550 0.001 0.000 0.288 101 Y C 2.053 177.904 175.900 -0.080 0.000 1.146 101 Y CA 1.125 59.154 58.100 -0.117 0.000 1.164 101 Y CB -0.429 37.944 38.460 -0.145 0.000 0.982 101 Y HN 0.169 nan 8.280 nan 0.000 0.515 102 Y N -0.286 119.967 120.300 -0.078 0.000 2.224 102 Y HA -0.127 4.424 4.550 0.001 0.000 0.289 102 Y C 2.655 178.073 175.900 -0.804 0.000 1.146 102 Y CA 0.437 58.346 58.100 -0.318 0.000 1.182 102 Y CB -1.531 36.930 38.460 0.001 0.000 0.983 102 Y HN 0.250 nan 8.280 nan 0.000 0.524 103 A N 0.015 122.331 122.820 -0.841 0.000 1.883 103 A HA -0.190 4.131 4.320 0.001 0.000 0.217 103 A C 2.199 179.514 177.584 -0.449 0.000 1.186 103 A CA 1.805 53.258 52.037 -0.974 0.000 0.624 103 A CB -1.052 17.668 19.000 -0.467 0.000 0.822 103 A HN 0.334 nan 8.150 nan 0.000 0.444 104 L N -0.345 120.680 121.223 -0.330 0.000 2.141 104 L HA -0.157 4.184 4.340 0.001 0.000 0.209 104 L C 2.622 179.376 176.870 -0.194 0.000 1.094 104 L CA 1.498 56.209 54.840 -0.214 0.000 0.763 104 L CB -0.622 41.302 42.059 -0.225 0.000 0.908 104 L HN 0.364 nan 8.230 nan 0.000 0.437 105 Q N -1.115 118.489 119.800 -0.327 0.000 2.167 105 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 105 Q C 2.205 178.064 176.000 -0.234 0.000 0.970 105 Q CA 1.664 57.288 55.803 -0.298 0.000 0.855 105 Q CB -0.582 27.953 28.738 -0.339 0.000 0.911 105 Q HN 0.462 nan 8.270 nan 0.000 0.438 106 T N 1.036 115.448 114.554 -0.235 0.000 2.770 106 T HA -0.083 4.268 4.350 0.001 0.000 0.263 106 T C 1.490 176.143 174.700 -0.077 0.000 1.039 106 T CA 0.787 62.797 62.100 -0.149 0.000 1.142 106 T CB -0.410 68.411 68.868 -0.078 0.000 0.868 106 T HN 0.204 nan 8.240 nan 0.000 0.435 107 F N 2.508 122.338 119.950 -0.199 0.000 2.065 107 F HA -0.176 4.352 4.527 0.001 0.000 0.298 107 F C 2.477 178.192 175.800 -0.141 0.000 1.112 107 F CA 1.289 59.193 58.000 -0.160 0.000 1.212 107 F CB -0.755 38.140 39.000 -0.175 0.000 0.975 107 F HN 0.154 nan 8.300 nan 0.000 0.476 108 A N -0.430 122.330 122.820 -0.101 0.000 1.986 108 A HA -0.277 4.044 4.320 0.001 0.000 0.220 108 A C 2.095 179.559 177.584 -0.201 0.000 1.171 108 A CA 2.033 53.969 52.037 -0.168 0.000 0.640 108 A CB -0.821 18.118 19.000 -0.102 0.000 0.811 108 A HN 0.667 nan 8.150 nan 0.000 0.451 109 Q N -0.887 118.806 119.800 -0.180 0.000 2.311 109 Q HA 0.122 4.463 4.340 0.001 0.000 0.203 109 Q C 1.856 177.755 176.000 -0.168 0.000 0.954 109 Q CA 0.706 56.419 55.803 -0.150 0.000 0.885 109 Q CB -0.123 28.538 28.738 -0.128 0.000 0.963 109 Q HN 0.684 nan 8.270 nan 0.000 0.471 110 L N 0.135 121.219 121.223 -0.232 0.000 2.179 110 L HA -0.027 4.314 4.340 0.001 0.000 0.208 110 L C 0.680 177.382 176.870 -0.281 0.000 1.096 110 L CA -0.082 54.614 54.840 -0.240 0.000 0.779 110 L CB 0.020 41.923 42.059 -0.260 0.000 0.922 110 L HN 0.209 nan 8.230 nan 0.000 0.443 111 L N 1.831 122.826 121.223 -0.381 0.000 2.385 111 L HA 0.144 4.485 4.340 0.001 0.000 0.281 111 L C -0.370 176.384 176.870 -0.194 0.000 1.106 111 L CA 0.507 55.148 54.840 -0.332 0.000 0.856 111 L CB -0.176 41.632 42.059 -0.418 0.000 1.186 111 L HN 0.013 nan 8.230 nan 0.000 0.453 112 K N 4.710 125.023 120.400 -0.144 0.000 2.463 112 K HA 0.368 4.688 4.320 0.001 0.000 0.255 112 K C -0.715 175.839 176.600 -0.076 0.000 0.942 112 K CA -0.824 55.405 56.287 -0.097 0.000 0.814 112 K CB 1.429 33.882 32.500 -0.079 0.000 1.122 112 K HN 0.453 nan 8.250 nan 0.000 0.425 113 D N 2.116 122.478 120.400 -0.063 0.000 2.701 113 D HA -0.205 4.435 4.640 0.001 0.000 0.235 113 D C 0.885 177.157 176.300 -0.046 0.000 1.155 113 D CA 1.902 55.874 54.000 -0.046 0.000 0.649 113 D CB -1.053 39.725 40.800 -0.037 0.000 1.050 113 D HN 1.126 nan 8.370 nan 0.000 0.425 114 G N -0.837 107.929 108.800 -0.057 0.000 2.184 114 G HA2 -0.378 3.582 3.960 0.001 0.000 0.264 114 G HA3 -0.378 3.582 3.960 0.001 0.000 0.264 114 G C 0.339 175.208 174.900 -0.052 0.000 0.975 114 G CA 0.979 46.050 45.100 -0.049 0.000 0.642 114 G HN 0.528 nan 8.290 nan 0.000 0.536 115 K N -0.677 119.683 120.400 -0.066 0.000 2.221 115 K HA 0.845 5.166 4.320 0.001 0.000 0.243 115 K C -0.115 176.425 176.600 -0.101 0.000 0.968 115 K CA -0.823 55.425 56.287 -0.063 0.000 0.846 115 K CB 1.766 34.238 32.500 -0.046 0.000 1.141 115 K HN 0.129 nan 8.250 nan 0.000 0.434 116 L N 2.348 123.520 121.223 -0.085 0.000 2.370 116 L HA 0.535 4.876 4.340 0.001 0.000 0.266 116 L C -2.362 174.470 176.870 -0.064 0.000 1.002 116 L CA -2.312 52.462 54.840 -0.110 0.000 0.818 116 L CB 2.076 44.075 42.059 -0.100 0.000 1.325 116 L HN 0.463 nan 8.230 nan 0.000 0.418 117 P HA 0.113 nan 4.420 nan 0.000 0.276 117 P C -1.064 176.225 177.300 -0.019 0.000 1.244 117 P CA -0.430 62.648 63.100 -0.036 0.000 0.801 117 P CB 0.643 32.321 31.700 -0.037 0.000 1.006 118 E N 0.458 120.654 120.200 -0.007 0.000 2.129 118 E HA 0.290 4.640 4.350 0.001 0.000 0.283 118 E C -0.136 176.467 176.600 0.005 0.000 1.080 118 E CA -0.348 56.054 56.400 0.004 0.000 0.867 118 E CB 0.500 30.207 29.700 0.011 0.000 1.056 118 E HN 0.268 nan 8.360 nan 0.000 0.404 119 V N 0.501 120.416 119.914 0.003 0.000 3.007 119 V HA 0.588 4.708 4.120 0.001 0.000 0.311 119 V C -0.730 175.362 176.094 -0.003 0.000 1.120 119 V CA -1.080 61.222 62.300 0.003 0.000 0.980 119 V CB 2.257 34.078 31.823 -0.003 0.000 1.033 119 V HN 0.535 nan 8.190 nan 0.000 0.429 120 E N 1.851 122.061 120.200 0.016 0.000 2.216 120 E HA 0.738 5.089 4.350 0.001 0.000 0.260 120 E C -1.524 175.103 176.600 0.045 0.000 0.880 120 E CA -0.453 55.962 56.400 0.026 0.000 0.765 120 E CB 1.839 31.608 29.700 0.115 0.000 1.174 120 E HN 0.802 nan 8.360 nan 0.000 0.417 121 I N 3.773 124.353 120.570 0.015 0.000 2.433 121 I HA 0.407 4.578 4.170 0.001 0.000 0.292 121 I C -0.571 175.597 176.117 0.085 0.000 1.001 121 I CA -0.796 60.534 61.300 0.050 0.000 1.119 121 I CB 1.812 39.861 38.000 0.082 0.000 1.289 121 I HN 0.257 nan 8.210 nan 0.000 0.438 122 K N 4.275 124.715 120.400 0.066 0.000 2.463 122 K HA 0.545 4.866 4.320 0.001 0.000 0.255 122 K C -1.508 175.045 176.600 -0.079 0.000 0.942 122 K CA -0.710 55.614 56.287 0.061 0.000 0.814 122 K CB 1.997 34.596 32.500 0.164 0.000 1.122 122 K HN 0.384 nan 8.250 nan 0.000 0.425 123 D N 1.875 122.116 120.400 -0.265 0.000 2.661 123 D HA 0.502 5.143 4.640 0.001 0.000 0.228 123 D C -1.734 174.499 176.300 -0.111 0.000 1.183 123 D CA -0.299 53.502 54.000 -0.332 0.000 0.844 123 D CB 1.255 41.760 40.800 -0.491 0.000 1.555 123 D HN 0.404 nan 8.370 nan 0.000 0.453 124 Y N -1.487 118.726 120.300 -0.144 0.000 2.687 124 Y HA 0.563 5.113 4.550 0.001 0.000 0.338 124 Y C -3.087 172.085 175.900 -1.213 0.000 1.189 124 Y CA -1.945 55.908 58.100 -0.412 0.000 1.097 124 Y CB 0.714 38.951 38.460 -0.372 0.000 1.342 124 Y HN 0.062 nan 8.280 nan 0.000 0.461 125 P HA 0.266 nan 4.420 nan 0.000 0.282 125 P C -0.139 176.758 177.300 -0.671 0.000 1.249 125 P CA -0.256 61.936 63.100 -1.513 0.000 0.806 125 P CB 2.065 33.157 31.700 -1.013 0.000 0.984 126 S N 0.467 115.807 115.700 -0.599 0.000 2.436 126 S HA 0.061 4.531 4.470 0.001 0.000 0.228 126 S C 0.882 175.323 174.600 -0.265 0.000 1.014 126 S CA 0.377 58.372 58.200 -0.342 0.000 0.950 126 S CB 0.011 63.014 63.200 -0.328 0.000 0.784 126 S HN 0.326 nan 8.310 nan 0.000 0.504 127 V N 1.788 121.530 119.914 -0.287 0.000 2.495 127 V HA 0.384 4.504 4.120 0.001 0.000 0.298 127 V C 0.904 176.876 176.094 -0.203 0.000 1.031 127 V CA -0.821 61.355 62.300 -0.207 0.000 0.871 127 V CB 1.864 33.579 31.823 -0.181 0.000 0.988 127 V HN 0.115 nan 8.190 nan 0.000 0.432 128 R N 3.756 124.116 120.500 -0.234 0.000 2.075 128 R HA -0.031 4.310 4.340 0.001 0.000 0.232 128 R C -0.267 175.756 176.300 -0.462 0.000 1.126 128 R CA 1.646 57.510 56.100 -0.394 0.000 0.963 128 R CB 0.019 29.986 30.300 -0.555 0.000 0.858 128 R HN 0.597 nan 8.270 nan 0.000 0.435 129 Y N 0.250 120.538 120.300 -0.019 0.000 2.328 129 Y HA 0.518 5.068 4.550 0.001 0.000 0.336 129 Y C -0.658 175.218 175.900 -0.041 0.000 0.960 129 Y CA -1.001 57.097 58.100 -0.004 0.000 1.134 129 Y CB 1.735 40.187 38.460 -0.014 0.000 1.166 129 Y HN -0.082 nan 8.280 nan 0.000 0.464 130 R N 1.949 122.567 120.500 0.196 0.000 2.538 130 R HA 0.801 5.141 4.340 0.001 0.000 0.292 130 R C -0.197 176.175 176.300 0.121 0.000 1.008 130 R CA -0.795 55.391 56.100 0.143 0.000 0.896 130 R CB 2.258 32.634 30.300 0.126 0.000 1.187 130 R HN 0.901 nan 8.270 nan 0.000 0.440 131 G N 0.755 109.605 108.800 0.084 0.000 2.512 131 G HA2 0.285 4.245 3.960 0.001 0.000 0.181 131 G HA3 0.285 4.245 3.960 0.001 0.000 0.181 131 G C -1.803 173.052 174.900 -0.074 0.000 1.173 131 G CA -0.468 44.599 45.100 -0.056 0.000 0.988 131 G HN 0.307 nan 8.290 nan 0.000 0.485 132 V N 0.204 120.018 119.914 -0.165 0.000 2.588 132 V HA 0.662 4.782 4.120 0.001 0.000 0.304 132 V C -0.457 175.520 176.094 -0.194 0.000 1.042 132 V CA -0.758 61.479 62.300 -0.104 0.000 0.877 132 V CB 1.541 33.376 31.823 0.021 0.000 0.996 132 V HN 1.023 nan 8.190 nan 0.000 0.425 133 V N 4.666 124.357 119.914 -0.372 0.000 2.350 133 V HA 0.416 4.537 4.120 0.001 0.000 0.276 133 V C 0.407 176.122 176.094 -0.631 0.000 1.028 133 V CA -0.224 61.704 62.300 -0.620 0.000 0.860 133 V CB 1.338 32.551 31.823 -1.016 0.000 0.990 133 V HN 1.024 nan 8.190 nan 0.000 0.453 134 E N 5.071 124.851 120.200 -0.699 0.000 1.791 134 E HA 0.332 4.683 4.350 0.001 0.000 0.263 134 E C 0.753 176.726 176.600 -1.045 0.000 1.213 134 E CA 0.425 56.262 56.400 -0.938 0.000 0.991 134 E CB 0.178 29.281 29.700 -0.995 0.000 1.068 134 E HN 0.927 nan 8.360 nan 0.000 0.417 135 G N 4.385 112.653 108.800 -0.887 0.000 3.979 135 G HA2 0.105 4.065 3.960 0.001 0.000 0.287 135 G HA3 0.105 4.065 3.960 0.001 0.000 0.287 135 G C -0.228 174.388 174.900 -0.474 0.000 1.011 135 G CA -0.417 44.297 45.100 -0.643 0.000 0.818 135 G HN 0.431 nan 8.290 nan 0.000 0.470 136 F N -0.629 119.080 119.950 -0.401 0.000 2.380 136 F HA 0.802 5.329 4.527 0.001 0.000 0.319 136 F C -0.315 175.245 175.800 -0.399 0.000 1.113 136 F CA -2.683 55.126 58.000 -0.319 0.000 1.056 136 F CB 0.369 39.228 39.000 -0.234 0.000 1.289 136 F HN -0.052 nan 8.300 nan 0.000 0.515 137 Y N 0.495 120.885 120.300 0.150 0.000 2.299 137 Y HA 0.587 5.138 4.550 0.001 0.000 0.326 137 Y C 0.820 176.851 175.900 0.219 0.000 1.164 137 Y CA 0.249 58.400 58.100 0.084 0.000 1.234 137 Y CB 1.068 39.511 38.460 -0.029 0.000 1.219 137 Y HN 1.076 nan 8.280 nan 0.000 0.497 138 G N 0.354 109.354 108.800 0.333 0.000 2.347 138 G HA2 -0.050 3.910 3.960 0.001 0.000 0.341 138 G HA3 -0.050 3.910 3.960 0.001 0.000 0.341 138 G C -1.176 173.892 174.900 0.280 0.000 1.287 138 G CA -1.235 44.039 45.100 0.289 0.000 0.984 138 G HN 0.469 nan 8.290 nan 0.000 0.526 139 T N 3.476 118.175 114.554 0.241 0.000 2.784 139 T HA 0.451 4.801 4.350 0.001 0.000 0.291 139 T C -1.917 172.975 174.700 0.320 0.000 0.942 139 T CA 0.145 62.384 62.100 0.231 0.000 1.161 139 T CB 0.794 69.777 68.868 0.191 0.000 0.885 139 T HN 0.442 nan 8.240 nan 0.000 0.534 140 P HA 0.050 nan 4.420 nan 0.000 0.269 140 P C -0.080 177.434 177.300 0.356 0.000 1.217 140 P CA -0.626 62.566 63.100 0.153 0.000 0.783 140 P CB 0.406 32.133 31.700 0.044 0.000 0.898 141 W N 1.378 122.809 121.300 0.218 0.000 2.231 141 W HA 0.066 4.727 4.660 0.001 0.000 0.341 141 W C 1.057 177.669 176.519 0.155 0.000 1.298 141 W CA -0.269 57.188 57.345 0.186 0.000 1.266 141 W CB -0.835 28.730 29.460 0.175 0.000 1.172 141 W HN 0.347 nan 8.180 nan 0.000 0.568 142 S N 1.394 117.287 115.700 0.321 0.000 2.580 142 S HA -0.095 4.376 4.470 0.001 0.000 0.266 142 S C 1.125 175.862 174.600 0.228 0.000 1.354 142 S CA 0.281 58.621 58.200 0.233 0.000 1.008 142 S CB 0.760 64.046 63.200 0.144 0.000 0.898 142 S HN 0.571 nan 8.310 nan 0.000 0.555 143 H N 1.225 120.377 119.070 0.137 0.000 2.319 143 H HA -0.082 4.474 4.556 0.001 0.000 0.299 143 H C 2.112 177.472 175.328 0.052 0.000 1.092 143 H CA 2.528 58.642 56.048 0.110 0.000 1.302 143 H CB -0.180 29.630 29.762 0.081 0.000 1.373 143 H HN 0.609 nan 8.280 nan 0.000 0.497 144 Q N 0.122 119.923 119.800 0.001 0.000 2.096 144 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 144 Q C 2.589 178.497 176.000 -0.152 0.000 0.982 144 Q CA 1.319 57.070 55.803 -0.087 0.000 0.850 144 Q CB -0.798 27.928 28.738 -0.020 0.000 0.901 144 Q HN 0.628 nan 8.270 nan 0.000 0.422 145 A N 1.264 124.004 122.820 -0.133 0.000 1.883 145 A HA -0.222 4.098 4.320 0.001 0.000 0.217 145 A C 2.196 179.591 177.584 -0.315 0.000 1.186 145 A CA 1.610 53.490 52.037 -0.260 0.000 0.624 145 A CB -0.518 18.297 19.000 -0.308 0.000 0.822 145 A HN 0.292 nan 8.150 nan 0.000 0.444 146 R N -0.649 119.758 120.500 -0.155 0.000 2.091 146 R HA -0.089 4.251 4.340 0.001 0.000 0.238 146 R C 2.089 178.221 176.300 -0.281 0.000 1.136 146 R CA 1.506 57.522 56.100 -0.140 0.000 0.959 146 R CB -0.552 29.784 30.300 0.061 0.000 0.856 146 R HN 0.527 nan 8.270 nan 0.000 0.437 147 L N -0.235 120.811 121.223 -0.295 0.000 2.017 147 L HA -0.218 4.123 4.340 0.001 0.000 0.208 147 L C 2.673 179.399 176.870 -0.240 0.000 1.073 147 L CA 1.373 56.053 54.840 -0.266 0.000 0.745 147 L CB -0.518 41.382 42.059 -0.265 0.000 0.894 147 L HN 0.224 nan 8.230 nan 0.000 0.432 148 S N -0.978 114.573 115.700 -0.249 0.000 2.359 148 S HA -0.219 4.251 4.470 0.001 0.000 0.224 148 S C 2.036 176.451 174.600 -0.307 0.000 1.035 148 S CA 1.211 59.267 58.200 -0.240 0.000 1.018 148 S CB -0.088 62.958 63.200 -0.257 0.000 0.876 148 S HN 0.368 nan 8.310 nan 0.000 0.448 149 Q N 0.653 120.179 119.800 -0.456 0.000 2.061 149 Q HA -0.093 4.247 4.340 0.001 0.000 0.204 149 Q C 2.345 177.756 176.000 -0.982 0.000 0.984 149 Q CA 1.437 56.823 55.803 -0.695 0.000 0.846 149 Q CB -0.669 27.657 28.738 -0.685 0.000 0.902 149 Q HN 0.564 nan 8.270 nan 0.000 0.421 150 L N 0.389 121.211 121.223 -0.669 0.000 2.083 150 L HA -0.197 4.143 4.340 0.001 0.000 0.209 150 L C 2.358 179.110 176.870 -0.196 0.000 1.083 150 L CA 1.215 55.785 54.840 -0.450 0.000 0.752 150 L CB -0.272 41.657 42.059 -0.217 0.000 0.899 150 L HN 0.164 nan 8.230 nan 0.000 0.433 151 K N -0.761 119.555 120.400 -0.140 0.000 2.097 151 K HA -0.155 4.165 4.320 0.001 0.000 0.205 151 K C 2.007 178.639 176.600 0.053 0.000 1.050 151 K CA 1.190 57.467 56.287 -0.017 0.000 0.938 151 K CB -0.248 32.242 32.500 -0.017 0.000 0.718 151 K HN 0.026 nan 8.250 nan 0.000 0.442 152 F N 0.760 120.623 119.950 -0.146 0.000 2.134 152 F HA -0.237 4.290 4.527 0.001 0.000 0.299 152 F C 1.748 177.617 175.800 0.115 0.000 1.097 152 F CA 1.411 59.386 58.000 -0.042 0.000 1.264 152 F CB -0.112 38.838 39.000 -0.083 0.000 1.001 152 F HN -0.011 nan 8.300 nan 0.000 0.479 153 Y N 0.060 120.460 120.300 0.166 0.000 2.145 153 Y HA -0.054 4.497 4.550 0.001 0.000 0.286 153 Y C 2.772 178.716 175.900 0.073 0.000 1.145 153 Y CA 0.637 58.800 58.100 0.104 0.000 1.148 153 Y CB -1.740 36.818 38.460 0.163 0.000 0.981 153 Y HN 0.073 nan 8.280 nan 0.000 0.507 154 G N 0.026 108.990 108.800 0.274 0.000 2.418 154 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 154 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 154 G C 1.761 176.793 174.900 0.220 0.000 1.158 154 G CA 0.832 46.146 45.100 0.356 0.000 0.771 154 G HN 0.329 nan 8.290 nan 0.000 0.545 155 K N 0.204 120.620 120.400 0.027 0.000 2.147 155 K HA -0.029 4.291 4.320 0.001 0.000 0.205 155 K C 1.287 177.724 176.600 -0.271 0.000 1.049 155 K CA 0.933 57.136 56.287 -0.141 0.000 0.936 155 K CB -0.014 32.379 32.500 -0.178 0.000 0.722 155 K HN 0.215 nan 8.250 nan 0.000 0.446 156 N N 0.491 119.015 118.700 -0.294 0.000 2.238 156 N HA 0.058 4.799 4.740 0.001 0.000 0.222 156 N C -0.711 174.576 175.510 -0.373 0.000 1.133 156 N CA 0.152 52.952 53.050 -0.416 0.000 0.854 156 N CB 0.880 39.054 38.487 -0.522 0.000 1.041 156 N HN 0.071 nan 8.380 nan 0.000 0.510 157 K N -0.028 120.176 120.400 -0.327 0.000 3.160 157 K HA -0.169 4.152 4.320 0.001 0.000 0.280 157 K C -0.287 176.246 176.600 -0.112 0.000 1.154 157 K CA 0.612 56.557 56.287 -0.571 0.000 0.822 157 K CB -1.514 30.216 32.500 -1.284 0.000 1.239 157 K HN 0.283 nan 8.250 nan 0.000 0.489 158 M N 1.827 121.462 119.600 0.057 0.000 2.146 158 M HA 0.048 4.529 4.480 0.001 0.000 0.352 158 M C 1.206 177.661 176.300 0.258 0.000 1.343 158 M CA -0.046 55.335 55.300 0.134 0.000 1.115 158 M CB 0.509 33.130 32.600 0.037 0.000 1.657 158 M HN 0.163 nan 8.290 nan 0.000 0.471 159 N N 0.669 119.541 118.700 0.286 0.000 2.236 159 N HA 0.059 4.800 4.740 0.001 0.000 0.196 159 N C -0.696 174.982 175.510 0.280 0.000 1.114 159 N CA -0.129 53.121 53.050 0.334 0.000 0.859 159 N CB 0.540 39.261 38.487 0.389 0.000 0.982 159 N HN 0.364 nan 8.380 nan 0.000 0.493 160 T N 0.648 115.334 114.554 0.219 0.000 2.928 160 T HA 0.236 4.587 4.350 0.001 0.000 0.296 160 T C -2.149 172.628 174.700 0.129 0.000 1.000 160 T CA -0.479 61.728 62.100 0.178 0.000 0.989 160 T CB 1.258 70.243 68.868 0.194 0.000 1.005 160 T HN 0.184 nan 8.240 nan 0.000 0.442 161 Y N 4.549 124.850 120.300 0.002 0.000 2.332 161 Y HA 0.621 5.172 4.550 0.001 0.000 0.326 161 Y C -1.287 174.480 175.900 -0.222 0.000 0.978 161 Y CA -1.476 56.591 58.100 -0.054 0.000 1.205 161 Y CB 0.524 39.071 38.460 0.146 0.000 1.131 161 Y HN 0.591 nan 8.280 nan 0.000 0.462 162 I N 7.640 127.789 120.570 -0.701 0.000 2.297 162 I HA 0.135 4.306 4.170 0.001 0.000 0.291 162 I C -0.865 174.596 176.117 -1.094 0.000 1.033 162 I CA -0.820 60.031 61.300 -0.748 0.000 1.253 162 I CB 0.560 38.309 38.000 -0.418 0.000 1.396 162 I HN 0.631 nan 8.210 nan 0.000 0.476 163 Y N 6.093 125.637 120.300 -1.260 0.000 2.486 163 Y HA 0.498 5.049 4.550 0.001 0.000 0.348 163 Y C 0.733 176.099 175.900 -0.889 0.000 1.000 163 Y CA -0.203 57.273 58.100 -1.040 0.000 1.253 163 Y CB 0.866 38.904 38.460 -0.704 0.000 1.140 163 Y HN 0.613 nan 8.280 nan 0.000 0.526 164 G N 7.347 115.432 108.800 -1.191 0.000 4.973 164 G HA2 0.150 4.110 3.960 0.001 0.000 0.211 164 G HA3 0.150 4.110 3.960 0.001 0.000 0.211 164 G C -3.336 170.787 174.900 -1.295 0.000 0.784 164 G CA -0.866 43.392 45.100 -1.404 0.000 0.657 164 G HN 0.419 nan 8.290 nan 0.000 0.480 165 P HA 0.159 nan 4.420 nan 0.000 0.271 165 P C 0.883 177.842 177.300 -0.569 0.000 1.226 165 P CA -0.172 62.355 63.100 -0.954 0.000 0.765 165 P CB 1.697 32.910 31.700 -0.811 0.000 0.835 166 K N 2.007 122.081 120.400 -0.544 0.000 2.160 166 K HA -0.139 4.182 4.320 0.001 0.000 0.206 166 K C 0.566 177.106 176.600 -0.099 0.000 1.047 166 K CA 1.522 57.580 56.287 -0.381 0.000 0.930 166 K CB -0.277 31.713 32.500 -0.849 0.000 0.720 166 K HN 0.491 nan 8.250 nan 0.000 0.450 167 D N 0.814 121.173 120.400 -0.070 0.000 2.339 167 D HA -0.052 4.588 4.640 0.001 0.000 0.217 167 D C 0.001 176.351 176.300 0.083 0.000 1.050 167 D CA 0.145 54.178 54.000 0.055 0.000 0.856 167 D CB -0.045 40.817 40.800 0.103 0.000 0.922 167 D HN 0.092 nan 8.370 nan 0.000 0.518 168 D N 1.807 122.259 120.400 0.087 0.000 2.342 168 D HA 0.006 4.647 4.640 0.001 0.000 0.260 168 D C -1.312 175.104 176.300 0.193 0.000 1.278 168 D CA -1.800 52.329 54.000 0.214 0.000 0.910 168 D CB 1.509 42.500 40.800 0.319 0.000 1.079 168 D HN -0.014 nan 8.370 nan 0.000 0.496 169 P HA -0.164 nan 4.420 nan 0.000 0.222 169 P C 0.625 177.754 177.300 -0.284 0.000 1.147 169 P CA 1.028 64.035 63.100 -0.156 0.000 0.790 169 P CB -0.027 31.475 31.700 -0.330 0.000 0.780 170 Y N -1.829 118.522 120.300 0.085 0.000 2.511 170 Y HA 0.010 4.560 4.550 0.001 0.000 0.279 170 Y C 2.712 178.799 175.900 0.313 0.000 1.157 170 Y CA 0.561 58.631 58.100 -0.050 0.000 1.300 170 Y CB -0.941 37.049 38.460 -0.784 0.000 1.052 170 Y HN 0.136 nan 8.280 nan 0.000 0.529 171 H N -1.414 117.901 119.070 0.408 0.000 2.388 171 H HA 0.164 4.721 4.556 0.001 0.000 0.304 171 H C 1.545 176.994 175.328 0.202 0.000 1.049 171 H CA 1.065 57.299 56.048 0.310 0.000 1.371 171 H CB 0.294 30.142 29.762 0.144 0.000 1.436 171 H HN 0.075 nan 8.280 nan 0.000 0.544 172 S N -0.953 114.794 115.700 0.078 0.000 2.841 172 S HA 0.696 5.167 4.470 0.001 0.000 0.274 172 S C -0.589 174.163 174.600 0.253 0.000 1.044 172 S CA -0.380 57.870 58.200 0.082 0.000 0.952 172 S CB 0.224 63.498 63.200 0.123 0.000 1.331 172 S HN 0.596 nan 8.310 nan 0.000 0.610 173 A N 2.087 125.050 122.820 0.238 0.000 2.546 173 A HA 0.391 4.711 4.320 0.001 0.000 0.243 173 A C -1.870 175.758 177.584 0.074 0.000 1.063 173 A CA -0.493 51.652 52.037 0.179 0.000 0.757 173 A CB -0.373 18.719 19.000 0.153 0.000 0.991 173 A HN 0.657 nan 8.150 nan 0.000 0.503 174 P HA 0.136 nan 4.420 nan 0.000 0.282 174 P C 0.009 177.223 177.300 -0.143 0.000 1.327 174 P CA 0.153 63.242 63.100 -0.018 0.000 0.949 174 P CB 0.517 32.188 31.700 -0.047 0.000 1.445 175 N N 0.430 119.027 118.700 -0.171 0.000 2.273 175 N HA 0.040 4.780 4.740 0.001 0.000 0.231 175 N C 1.258 176.694 175.510 -0.122 0.000 1.134 175 N CA -0.294 52.605 53.050 -0.253 0.000 0.856 175 N CB -0.528 37.722 38.487 -0.394 0.000 1.068 175 N HN 0.368 nan 8.380 nan 0.000 0.510 176 W N 0.653 121.941 121.300 -0.020 0.000 2.359 176 W HA -0.139 4.521 4.660 0.001 0.000 0.275 176 W C 0.713 177.288 176.519 0.093 0.000 1.217 176 W CA 0.201 57.590 57.345 0.073 0.000 1.196 176 W CB -0.674 28.791 29.460 0.010 0.000 1.129 176 W HN 0.066 nan 8.180 nan 0.000 0.566 177 R N 0.125 120.330 120.500 -0.490 0.000 2.236 177 R HA 0.059 4.400 4.340 0.001 0.000 0.208 177 R C 0.400 176.615 176.300 -0.141 0.000 1.036 177 R CA 0.232 56.062 56.100 -0.450 0.000 1.001 177 R CB -0.343 29.509 30.300 -0.747 0.000 0.896 177 R HN -0.000 nan 8.270 nan 0.000 0.464 178 L N 1.358 122.548 121.223 -0.054 0.000 2.334 178 L HA 0.298 4.638 4.340 0.001 0.000 0.277 178 L C -2.181 174.723 176.870 0.056 0.000 1.075 178 L CA -2.322 52.538 54.840 0.033 0.000 0.804 178 L CB 0.793 42.927 42.059 0.125 0.000 1.174 178 L HN -0.211 nan 8.230 nan 0.000 0.438 179 P HA 0.036 nan 4.420 nan 0.000 0.269 179 P C -1.051 176.121 177.300 -0.213 0.000 1.209 179 P CA -0.198 62.871 63.100 -0.051 0.000 0.776 179 P CB 0.153 31.836 31.700 -0.029 0.000 0.876 180 Y N 2.231 122.343 120.300 -0.313 0.000 2.702 180 Y HA 0.023 4.573 4.550 0.001 0.000 0.336 180 Y C -1.283 174.359 175.900 -0.429 0.000 1.235 180 Y CA -0.696 57.045 58.100 -0.598 0.000 1.492 180 Y CB -1.096 37.136 38.460 -0.380 0.000 1.308 180 Y HN 0.400 nan 8.280 nan 0.000 0.589 181 P HA -0.045 nan 4.420 nan 0.000 0.271 181 P C 0.234 177.489 177.300 -0.074 0.000 1.233 181 P CA -0.045 62.972 63.100 -0.138 0.000 0.789 181 P CB 0.744 32.390 31.700 -0.090 0.000 0.951 182 D N 0.662 121.030 120.400 -0.052 0.000 2.133 182 D HA -0.219 4.422 4.640 0.001 0.000 0.192 182 D C 1.662 177.926 176.300 -0.060 0.000 1.001 182 D CA 1.560 55.529 54.000 -0.051 0.000 0.844 182 D CB -0.192 40.586 40.800 -0.037 0.000 0.944 182 D HN 0.483 nan 8.370 nan 0.000 0.447 183 K N 0.715 121.086 120.400 -0.048 0.000 2.002 183 K HA -0.192 4.128 4.320 0.001 0.000 0.209 183 K C 1.881 178.432 176.600 -0.083 0.000 1.048 183 K CA 1.383 57.637 56.287 -0.056 0.000 0.930 183 K CB 0.035 32.519 32.500 -0.026 0.000 0.714 183 K HN -0.075 nan 8.250 nan 0.000 0.438 184 E N 0.423 120.592 120.200 -0.051 0.000 2.106 184 E HA -0.105 4.245 4.350 0.001 0.000 0.192 184 E C 1.806 178.293 176.600 -0.188 0.000 0.984 184 E CA 1.226 57.590 56.400 -0.060 0.000 0.806 184 E CB -0.189 29.569 29.700 0.096 0.000 0.750 184 E HN 0.465 nan 8.360 nan 0.000 0.458 185 A N 1.076 123.803 122.820 -0.155 0.000 1.877 185 A HA -0.120 4.200 4.320 0.001 0.000 0.216 185 A C 2.377 179.837 177.584 -0.207 0.000 1.186 185 A CA 1.890 53.802 52.037 -0.208 0.000 0.620 185 A CB -0.896 18.031 19.000 -0.122 0.000 0.822 185 A HN 0.298 nan 8.150 nan 0.000 0.443 186 A N -0.853 121.874 122.820 -0.156 0.000 1.933 186 A HA -0.190 4.130 4.320 0.001 0.000 0.218 186 A C 2.122 179.607 177.584 -0.165 0.000 1.175 186 A CA 1.616 53.567 52.037 -0.143 0.000 0.628 186 A CB -0.547 18.387 19.000 -0.111 0.000 0.814 186 A HN 0.666 nan 8.150 nan 0.000 0.444 187 Q N -0.442 119.228 119.800 -0.216 0.000 2.020 187 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 187 Q C 2.096 178.053 176.000 -0.071 0.000 0.982 187 Q CA 1.581 57.219 55.803 -0.274 0.000 0.838 187 Q CB -0.361 28.130 28.738 -0.413 0.000 0.899 187 Q HN 0.672 nan 8.270 nan 0.000 0.423 188 L N 0.441 121.541 121.223 -0.205 0.000 2.079 188 L HA -0.259 4.082 4.340 0.001 0.000 0.210 188 L C 2.646 179.290 176.870 -0.378 0.000 1.081 188 L CA 1.287 55.924 54.840 -0.338 0.000 0.752 188 L CB -0.371 41.328 42.059 -0.600 0.000 0.896 188 L HN 0.331 nan 8.230 nan 0.000 0.433 189 Q N -0.031 119.595 119.800 -0.291 0.000 2.084 189 Q HA -0.284 4.056 4.340 0.001 0.000 0.202 189 Q C 2.174 178.073 176.000 -0.168 0.000 0.978 189 Q CA 1.931 57.589 55.803 -0.242 0.000 0.844 189 Q CB 0.013 28.644 28.738 -0.179 0.000 0.898 189 Q HN 0.463 nan 8.270 nan 0.000 0.426 190 E N -0.053 120.094 120.200 -0.089 0.000 2.051 190 E HA -0.199 4.151 4.350 0.001 0.000 0.192 190 E C 2.043 178.635 176.600 -0.014 0.000 0.991 190 E CA 1.005 57.397 56.400 -0.014 0.000 0.799 190 E CB -0.100 29.652 29.700 0.086 0.000 0.748 190 E HN 0.402 nan 8.360 nan 0.000 0.449 191 L N 0.435 121.664 121.223 0.010 0.000 2.043 191 L HA -0.221 4.120 4.340 0.001 0.000 0.212 191 L C 2.574 179.418 176.870 -0.044 0.000 1.075 191 L CA 0.959 55.813 54.840 0.023 0.000 0.752 191 L CB -0.569 41.603 42.059 0.188 0.000 0.891 191 L HN 0.133 nan 8.230 nan 0.000 0.432 192 V N 0.148 119.895 119.914 -0.278 0.000 2.295 192 V HA -0.302 3.819 4.120 0.001 0.000 0.246 192 V C 2.798 178.825 176.094 -0.111 0.000 1.049 192 V CA 1.870 64.006 62.300 -0.273 0.000 1.024 192 V CB -0.966 30.590 31.823 -0.445 0.000 0.648 192 V HN 0.492 nan 8.190 nan 0.000 0.447 193 A N -0.225 122.531 122.820 -0.106 0.000 1.877 193 A HA -0.167 4.154 4.320 0.001 0.000 0.216 193 A C 2.398 179.950 177.584 -0.053 0.000 1.186 193 A CA 2.163 54.160 52.037 -0.067 0.000 0.620 193 A CB -0.737 18.229 19.000 -0.056 0.000 0.822 193 A HN 0.334 nan 8.150 nan 0.000 0.443 194 V N -0.128 119.759 119.914 -0.044 0.000 2.343 194 V HA -0.236 3.884 4.120 0.001 0.000 0.247 194 V C 3.057 179.123 176.094 -0.046 0.000 1.051 194 V CA 1.826 64.097 62.300 -0.048 0.000 1.036 194 V CB -1.288 30.505 31.823 -0.050 0.000 0.654 194 V HN 0.634 nan 8.190 nan 0.000 0.451 195 A N 0.710 123.538 122.820 0.014 0.000 1.873 195 A HA -0.292 4.028 4.320 0.001 0.000 0.218 195 A C 2.081 179.646 177.584 -0.031 0.000 1.193 195 A CA 2.339 54.416 52.037 0.067 0.000 0.629 195 A CB -0.808 18.334 19.000 0.236 0.000 0.826 195 A HN 0.596 nan 8.150 nan 0.000 0.447 196 N N -0.100 118.564 118.700 -0.060 0.000 2.104 196 N HA -0.172 4.568 4.740 0.001 0.000 0.190 196 N C 1.604 176.869 175.510 -0.408 0.000 1.024 196 N CA 1.736 54.710 53.050 -0.127 0.000 0.853 196 N CB -0.529 37.928 38.487 -0.049 0.000 1.008 196 N HN 0.687 nan 8.380 nan 0.000 0.424 197 E N 0.224 120.186 120.200 -0.397 0.000 2.265 197 E HA -0.003 4.348 4.350 0.001 0.000 0.196 197 E C 0.656 176.827 176.600 -0.714 0.000 0.996 197 E CA 0.625 56.637 56.400 -0.646 0.000 0.832 197 E CB 0.048 29.625 29.700 -0.205 0.000 0.756 197 E HN 0.346 nan 8.360 nan 0.000 0.491 198 N N 0.483 118.917 118.700 -0.444 0.000 2.214 198 N HA -0.018 4.722 4.740 0.001 0.000 0.214 198 N C -0.684 174.595 175.510 -0.385 0.000 1.132 198 N CA 0.204 53.076 53.050 -0.296 0.000 0.856 198 N CB 0.877 39.344 38.487 -0.033 0.000 1.020 198 N HN -0.004 nan 8.380 nan 0.000 0.509 199 E N 0.015 119.894 120.200 -0.535 0.000 2.389 199 E HA -0.143 4.207 4.350 0.001 0.000 0.243 199 E C -0.838 175.760 176.600 -0.003 0.000 1.154 199 E CA 0.403 56.608 56.400 -0.325 0.000 0.723 199 E CB -1.785 27.618 29.700 -0.496 0.000 1.261 199 E HN 0.063 nan 8.360 nan 0.000 0.390 200 V N 1.174 121.118 119.914 0.049 0.000 2.448 200 V HA 0.214 4.335 4.120 0.001 0.000 0.295 200 V C 0.282 176.484 176.094 0.180 0.000 1.025 200 V CA -0.815 61.596 62.300 0.186 0.000 0.859 200 V CB 2.002 33.983 31.823 0.263 0.000 0.988 200 V HN -0.029 nan 8.190 nan 0.000 0.431 201 D N 3.858 124.379 120.400 0.201 0.000 2.339 201 D HA 0.172 4.812 4.640 0.001 0.000 0.256 201 D C -0.351 176.081 176.300 0.219 0.000 1.214 201 D CA 0.181 54.290 54.000 0.182 0.000 0.877 201 D CB 0.816 41.712 40.800 0.162 0.000 1.111 201 D HN 0.436 nan 8.370 nan 0.000 0.478 202 F N 3.164 123.164 119.950 0.083 0.000 2.438 202 F HA 0.180 4.708 4.527 0.001 0.000 0.360 202 F C -0.237 175.532 175.800 -0.052 0.000 1.118 202 F CA -0.549 57.513 58.000 0.103 0.000 1.164 202 F CB 0.529 39.585 39.000 0.093 0.000 1.131 202 F HN 0.002 nan 8.300 nan 0.000 0.527 203 V N 7.327 127.153 119.914 -0.147 0.000 2.333 203 V HA 0.023 4.143 4.120 0.001 0.000 0.274 203 V C -0.637 175.317 176.094 -0.234 0.000 1.028 203 V CA -0.749 61.435 62.300 -0.193 0.000 0.851 203 V CB 0.508 32.196 31.823 -0.225 0.000 1.000 203 V HN 0.771 nan 8.190 nan 0.000 0.456 204 W N 5.479 126.625 121.300 -0.258 0.000 2.335 204 W HA 0.632 5.293 4.660 0.001 0.000 0.306 204 W C 0.291 176.715 176.519 -0.158 0.000 1.216 204 W CA -0.225 57.053 57.345 -0.111 0.000 1.237 204 W CB 0.848 30.300 29.460 -0.013 0.000 1.243 204 W HN 0.663 nan 8.180 nan 0.000 0.493 205 A N 7.077 129.388 122.820 -0.848 0.000 2.294 205 A HA 0.774 5.094 4.320 0.001 0.000 0.330 205 A C -1.434 175.499 177.584 -1.085 0.000 1.133 205 A CA -0.789 50.686 52.037 -0.937 0.000 0.836 205 A CB 1.069 19.216 19.000 -1.422 0.000 1.190 205 A HN 0.743 nan 8.150 nan 0.000 0.492 206 I N 0.236 120.387 120.570 -0.698 0.000 2.730 206 I HA 0.365 4.536 4.170 0.001 0.000 0.298 206 I C -0.859 174.850 176.117 -0.680 0.000 1.089 206 I CA -0.472 60.446 61.300 -0.637 0.000 1.041 206 I CB 1.877 39.810 38.000 -0.112 0.000 1.235 206 I HN 0.831 nan 8.210 nan 0.000 0.423 207 H N 7.945 126.440 119.070 -0.958 0.000 2.348 207 H HA 0.396 4.953 4.556 0.001 0.000 0.232 207 H C -2.371 172.541 175.328 -0.692 0.000 1.419 207 H CA -1.646 53.965 56.048 -0.729 0.000 1.416 207 H CB 1.259 30.608 29.762 -0.689 0.000 1.510 207 H HN 0.392 nan 8.280 nan 0.000 0.507 208 P HA 0.120 nan 4.420 nan 0.000 0.257 208 P C 1.449 178.279 177.300 -0.784 0.000 1.241 208 P CA 0.414 62.577 63.100 -1.562 0.000 0.816 208 P CB 0.377 30.784 31.700 -2.154 0.000 1.150 209 G N 0.886 109.370 108.800 -0.525 0.000 2.443 209 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 209 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 209 G C 1.661 176.494 174.900 -0.112 0.000 1.131 209 G CA 0.475 45.484 45.100 -0.151 0.000 0.775 209 G HN 0.232 nan 8.290 nan 0.000 0.547 210 Q N 1.267 121.004 119.800 -0.105 0.000 2.124 210 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 210 Q C 1.420 177.424 176.000 0.007 0.000 0.977 210 Q CA 1.881 57.679 55.803 -0.008 0.000 0.850 210 Q CB -0.020 28.746 28.738 0.048 0.000 0.901 210 Q HN 0.623 nan 8.270 nan 0.000 0.429 211 D N -2.056 118.366 120.400 0.037 0.000 2.556 211 D HA 0.054 4.694 4.640 0.001 0.000 0.237 211 D C 0.083 176.405 176.300 0.037 0.000 1.296 211 D CA -0.403 53.626 54.000 0.048 0.000 0.807 211 D CB -0.713 40.144 40.800 0.095 0.000 1.084 211 D HN 0.313 nan 8.370 nan 0.000 0.510 212 I N 1.006 121.538 120.570 -0.063 0.000 2.683 212 I HA 0.032 4.202 4.170 0.001 0.000 0.286 212 I C -0.339 175.532 176.117 -0.411 0.000 1.175 212 I CA 0.042 61.228 61.300 -0.190 0.000 1.429 212 I CB 0.415 38.111 38.000 -0.507 0.000 1.371 212 I HN -0.270 nan 8.210 nan 0.000 0.569 213 K N 6.597 126.835 120.400 -0.270 0.000 2.183 213 K HA 0.222 4.543 4.320 0.001 0.000 0.274 213 K C -1.229 175.218 176.600 -0.256 0.000 1.009 213 K CA 0.006 56.135 56.287 -0.264 0.000 0.888 213 K CB 0.767 33.214 32.500 -0.088 0.000 1.078 213 K HN 0.469 nan 8.250 nan 0.000 0.459 214 W N 4.323 125.627 121.300 0.007 0.000 1.395 214 W HA 0.082 4.742 4.660 0.001 0.000 0.451 214 W C 0.167 176.668 176.519 -0.030 0.000 0.619 214 W CA -0.636 56.697 57.345 -0.020 0.000 2.212 214 W CB -0.444 28.997 29.460 -0.032 0.000 1.537 214 W HN 0.544 nan 8.180 nan 0.000 0.275 215 N N -0.622 118.152 118.700 0.125 0.000 2.577 215 N HA 0.255 4.996 4.740 0.001 0.000 0.285 215 N C 0.819 176.340 175.510 0.019 0.000 1.309 215 N CA -1.092 51.995 53.050 0.060 0.000 0.798 215 N CB 0.866 39.371 38.487 0.031 0.000 1.463 215 N HN 0.029 nan 8.380 nan 0.000 0.518 216 K N -0.067 120.330 120.400 -0.005 0.000 2.063 216 K HA -0.214 4.106 4.320 0.001 0.000 0.208 216 K C 1.348 177.934 176.600 -0.023 0.000 1.048 216 K CA 1.602 57.870 56.287 -0.032 0.000 0.928 216 K CB -0.118 32.369 32.500 -0.021 0.000 0.713 216 K HN 0.707 nan 8.250 nan 0.000 0.442 217 E N 0.350 120.543 120.200 -0.012 0.000 2.038 217 E HA -0.244 4.106 4.350 0.001 0.000 0.195 217 E C 1.433 178.029 176.600 -0.007 0.000 1.000 217 E CA 1.965 58.356 56.400 -0.015 0.000 0.803 217 E CB -0.026 29.661 29.700 -0.022 0.000 0.750 217 E HN 0.342 nan 8.360 nan 0.000 0.448 218 D N -0.272 120.137 120.400 0.015 0.000 2.123 218 D HA -0.114 4.526 4.640 0.001 0.000 0.200 218 D C 1.979 178.343 176.300 0.107 0.000 0.976 218 D CA 0.666 54.721 54.000 0.091 0.000 0.831 218 D CB -0.270 40.608 40.800 0.131 0.000 0.974 218 D HN 0.115 nan 8.370 nan 0.000 0.469 219 R N 0.641 121.157 120.500 0.027 0.000 2.115 219 R HA -0.188 4.153 4.340 0.001 0.000 0.239 219 R C 1.364 177.646 176.300 -0.028 0.000 1.133 219 R CA 2.077 58.148 56.100 -0.049 0.000 0.935 219 R CB -0.062 30.129 30.300 -0.183 0.000 0.853 219 R HN 0.098 nan 8.270 nan 0.000 0.433 220 D N 0.140 120.531 120.400 -0.015 0.000 2.144 220 D HA -0.139 4.502 4.640 0.001 0.000 0.200 220 D C 1.870 178.178 176.300 0.013 0.000 0.978 220 D CA 0.655 54.664 54.000 0.015 0.000 0.833 220 D CB -0.159 40.650 40.800 0.016 0.000 0.961 220 D HN 0.153 nan 8.370 nan 0.000 0.470 221 L N 0.695 121.929 121.223 0.017 0.000 2.046 221 L HA -0.075 4.265 4.340 0.001 0.000 0.208 221 L C 2.412 179.327 176.870 0.074 0.000 1.077 221 L CA 1.062 55.909 54.840 0.011 0.000 0.747 221 L CB -1.196 40.824 42.059 -0.066 0.000 0.896 221 L HN 0.097 nan 8.230 nan 0.000 0.432 222 L N -1.434 119.875 121.223 0.143 0.000 2.012 222 L HA -0.251 4.090 4.340 0.001 0.000 0.210 222 L C 2.355 179.079 176.870 -0.242 0.000 1.073 222 L CA 1.167 56.026 54.840 0.031 0.000 0.748 222 L CB -0.116 41.872 42.059 -0.118 0.000 0.891 222 L HN 0.173 nan 8.230 nan 0.000 0.431 223 L N -0.230 120.876 121.223 -0.195 0.000 2.093 223 L HA -0.112 4.229 4.340 0.001 0.000 0.208 223 L C 2.713 179.495 176.870 -0.148 0.000 1.085 223 L CA 1.781 56.472 54.840 -0.247 0.000 0.755 223 L CB -1.190 40.831 42.059 -0.064 0.000 0.904 223 L HN 0.293 nan 8.230 nan 0.000 0.435 224 A N -0.679 122.116 122.820 -0.042 0.000 1.933 224 A HA -0.253 4.067 4.320 0.001 0.000 0.218 224 A C 2.367 179.974 177.584 0.038 0.000 1.175 224 A CA 1.942 53.982 52.037 0.006 0.000 0.628 224 A CB -0.420 18.587 19.000 0.013 0.000 0.814 224 A HN 0.296 nan 8.150 nan 0.000 0.444 225 K N -0.826 119.613 120.400 0.065 0.000 2.025 225 K HA -0.063 4.257 4.320 0.001 0.000 0.207 225 K C 1.530 178.271 176.600 0.236 0.000 1.049 225 K CA 1.395 57.768 56.287 0.143 0.000 0.933 225 K CB -0.619 32.032 32.500 0.252 0.000 0.714 225 K HN 0.273 nan 8.250 nan 0.000 0.438 226 F N 1.678 121.593 119.950 -0.057 0.000 2.120 226 F HA -0.133 4.395 4.527 0.001 0.000 0.300 226 F C 2.335 178.100 175.800 -0.059 0.000 1.095 226 F CA 1.696 59.590 58.000 -0.178 0.000 1.249 226 F CB -1.187 37.271 39.000 -0.903 0.000 0.995 226 F HN 0.269 nan 8.300 nan 0.000 0.480 227 E N 0.642 120.893 120.200 0.086 0.000 2.085 227 E HA -0.198 4.153 4.350 0.001 0.000 0.194 227 E C 2.101 178.860 176.600 0.264 0.000 0.994 227 E CA 1.506 58.066 56.400 0.267 0.000 0.801 227 E CB -0.150 29.652 29.700 0.169 0.000 0.743 227 E HN 0.031 nan 8.360 nan 0.000 0.453 228 K N -0.345 120.148 120.400 0.155 0.000 2.057 228 K HA -0.108 4.213 4.320 0.001 0.000 0.207 228 K C 1.988 178.628 176.600 0.067 0.000 1.049 228 K CA 1.442 57.783 56.287 0.089 0.000 0.931 228 K CB -0.290 32.230 32.500 0.032 0.000 0.714 228 K HN 0.313 nan 8.250 nan 0.000 0.440 229 M N -0.553 119.091 119.600 0.072 0.000 2.175 229 M HA -0.139 4.341 4.480 0.001 0.000 0.264 229 M C 2.151 178.543 176.300 0.153 0.000 1.063 229 M CA 1.223 56.508 55.300 -0.026 0.000 1.119 229 M CB -1.257 31.277 32.600 -0.108 0.000 1.377 229 M HN 0.091 nan 8.290 nan 0.000 0.415 230 Y N 1.837 122.332 120.300 0.325 0.000 2.114 230 Y HA -0.313 4.237 4.550 0.001 0.000 0.282 230 Y C 2.432 178.402 175.900 0.117 0.000 1.165 230 Y CA 2.158 60.454 58.100 0.327 0.000 1.148 230 Y CB -0.297 38.407 38.460 0.407 0.000 0.972 230 Y HN 0.348 nan 8.280 nan 0.000 0.504 231 Q N -0.266 119.664 119.800 0.216 0.000 2.226 231 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 231 Q C 1.932 177.901 176.000 -0.052 0.000 0.975 231 Q CA 1.540 57.393 55.803 0.082 0.000 0.866 231 Q CB -0.188 28.608 28.738 0.097 0.000 0.915 231 Q HN 0.530 nan 8.270 nan 0.000 0.440 232 L N -1.105 120.058 121.223 -0.100 0.000 2.599 232 L HA 0.113 4.454 4.340 0.001 0.000 0.230 232 L C 1.138 177.863 176.870 -0.242 0.000 1.141 232 L CA 0.524 55.253 54.840 -0.185 0.000 0.877 232 L CB 0.025 41.931 42.059 -0.255 0.000 1.009 232 L HN 0.451 nan 8.230 nan 0.000 0.447 233 G N -0.613 108.035 108.800 -0.254 0.000 2.184 233 G HA2 -0.218 3.743 3.960 0.001 0.000 0.206 233 G HA3 -0.218 3.743 3.960 0.001 0.000 0.206 233 G C 0.197 174.911 174.900 -0.311 0.000 0.995 233 G CA -0.240 44.685 45.100 -0.290 0.000 0.651 233 G HN 0.032 nan 8.290 nan 0.000 0.511 234 V N 1.942 121.681 119.914 -0.292 0.000 2.521 234 V HA 0.403 4.523 4.120 0.001 0.000 0.286 234 V C 1.356 177.332 176.094 -0.197 0.000 1.034 234 V CA 0.154 62.284 62.300 -0.285 0.000 1.045 234 V CB 1.342 32.946 31.823 -0.365 0.000 0.974 234 V HN 0.308 nan 8.190 nan 0.000 0.480 235 R N 1.971 122.374 120.500 -0.163 0.000 2.476 235 R HA 0.326 4.666 4.340 0.001 0.000 0.276 235 R C 0.037 176.376 176.300 0.065 0.000 0.941 235 R CA 0.009 56.134 56.100 0.042 0.000 1.088 235 R CB 0.945 31.261 30.300 0.027 0.000 1.216 235 R HN 0.619 nan 8.270 nan 0.000 0.533 236 S N 0.162 115.727 115.700 -0.225 0.000 2.548 236 S HA 0.742 5.212 4.470 0.001 0.000 0.286 236 S C -1.081 173.215 174.600 -0.507 0.000 1.098 236 S CA -0.416 57.706 58.200 -0.130 0.000 0.930 236 S CB 1.824 64.992 63.200 -0.054 0.000 1.070 236 S HN 0.013 nan 8.310 nan 0.000 0.480 237 F N 0.530 120.461 119.950 -0.032 0.000 2.613 237 F HA 0.791 5.319 4.527 0.001 0.000 0.310 237 F C -0.016 175.714 175.800 -0.118 0.000 1.085 237 F CA -0.686 57.212 58.000 -0.169 0.000 0.945 237 F CB 1.931 40.683 39.000 -0.413 0.000 1.298 237 F HN 0.718 nan 8.300 nan 0.000 0.455 238 A N 1.037 123.866 122.820 0.015 0.000 2.549 238 A HA 0.873 5.194 4.320 0.001 0.000 0.297 238 A C -2.067 175.501 177.584 -0.027 0.000 1.061 238 A CA -0.770 51.249 52.037 -0.029 0.000 0.690 238 A CB 1.727 20.594 19.000 -0.222 0.000 1.287 238 A HN 0.525 nan 8.150 nan 0.000 0.402 239 V N 1.970 121.904 119.914 0.033 0.000 2.483 239 V HA 0.558 4.678 4.120 0.001 0.000 0.297 239 V C -1.368 174.675 176.094 -0.086 0.000 1.027 239 V CA -0.453 61.761 62.300 -0.143 0.000 0.855 239 V CB 1.098 32.842 31.823 -0.131 0.000 0.995 239 V HN 0.665 nan 8.190 nan 0.000 0.424 240 F N 4.399 124.112 119.950 -0.394 0.000 2.427 240 F HA 0.617 5.145 4.527 0.001 0.000 0.346 240 F C 0.126 175.642 175.800 -0.474 0.000 1.120 240 F CA -1.743 56.129 58.000 -0.214 0.000 1.033 240 F CB 1.447 40.503 39.000 0.093 0.000 1.126 240 F HN 0.394 nan 8.300 nan 0.000 0.462 241 F N 1.072 121.129 119.950 0.177 0.000 2.791 241 F HA 0.160 4.688 4.527 0.002 0.000 0.308 241 F C 0.406 176.263 175.800 0.095 0.000 1.138 241 F CA -0.953 57.079 58.000 0.054 0.000 1.294 241 F CB -0.130 38.954 39.000 0.139 0.000 0.975 241 F HN 0.255 nan 8.300 nan 0.000 0.512 242 D N -1.128 119.403 120.400 0.219 0.000 2.264 242 D HA 0.106 4.746 4.640 0.001 0.000 0.249 242 D C -0.025 176.473 176.300 0.330 0.000 1.070 242 D CA -0.183 53.910 54.000 0.156 0.000 0.912 242 D CB 1.074 41.587 40.800 -0.479 0.000 1.193 242 D HN -0.003 nan 8.370 nan 0.000 0.427 243 D N -0.217 120.430 120.400 0.412 0.000 2.705 243 D HA -0.148 4.493 4.640 0.001 0.000 0.240 243 D C -0.176 176.304 176.300 0.301 0.000 1.137 243 D CA 0.702 54.941 54.000 0.399 0.000 0.677 243 D CB -1.525 39.507 40.800 0.387 0.000 1.049 243 D HN 0.640 nan 8.370 nan 0.000 0.427 244 I N -3.628 117.074 120.570 0.220 0.000 3.074 244 I HA 0.768 4.938 4.170 0.001 0.000 0.310 244 I C -0.038 176.131 176.117 0.087 0.000 1.153 244 I CA -0.920 60.462 61.300 0.136 0.000 0.993 244 I CB 2.574 40.624 38.000 0.084 0.000 1.237 244 I HN -0.030 nan 8.210 nan 0.000 0.443 245 S N 1.648 117.382 115.700 0.057 0.000 2.632 245 S HA 1.019 5.490 4.470 0.001 0.000 0.289 245 S C 0.022 174.643 174.600 0.035 0.000 1.115 245 S CA -0.146 58.073 58.200 0.031 0.000 0.889 245 S CB 1.357 64.562 63.200 0.009 0.000 1.116 245 S HN 2.282 nan 8.310 nan 0.000 0.486 246 G N 1.319 110.139 108.800 0.033 0.000 2.482 246 G HA2 -0.149 3.811 3.960 0.001 0.000 0.214 246 G HA3 -0.149 3.811 3.960 0.001 0.000 0.214 246 G C 0.212 175.159 174.900 0.077 0.000 1.271 246 G CA 0.132 45.256 45.100 0.040 0.000 0.944 246 G HN 0.670 nan 8.290 nan 0.000 0.568 247 E N 0.843 121.093 120.200 0.084 0.000 2.204 247 E HA -0.041 4.310 4.350 0.001 0.000 0.194 247 E C 2.615 179.412 176.600 0.329 0.000 0.989 247 E CA 1.380 57.895 56.400 0.190 0.000 0.824 247 E CB -0.721 29.071 29.700 0.154 0.000 0.756 247 E HN 0.905 nan 8.360 nan 0.000 0.477 248 G N 1.630 110.497 108.800 0.111 0.000 2.527 248 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 248 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 248 G C 1.601 176.657 174.900 0.261 0.000 1.117 248 G CA 1.499 46.680 45.100 0.135 0.000 0.759 248 G HN 0.392 nan 8.290 nan 0.000 0.556 249 T N -2.182 112.498 114.554 0.210 0.000 3.107 249 T HA 0.121 4.472 4.350 0.001 0.000 0.249 249 T C 0.944 175.760 174.700 0.193 0.000 1.096 249 T CA -0.417 61.785 62.100 0.170 0.000 1.012 249 T CB -0.058 68.878 68.868 0.114 0.000 0.977 249 T HN 0.102 nan 8.240 nan 0.000 0.527 250 N N 3.582 122.373 118.700 0.152 0.000 2.427 250 N HA 0.093 4.834 4.740 0.001 0.000 0.269 250 N C -1.372 174.017 175.510 -0.202 0.000 1.235 250 N CA -1.831 51.209 53.050 -0.017 0.000 0.934 250 N CB 1.589 40.013 38.487 -0.105 0.000 1.121 250 N HN 0.146 nan 8.380 nan 0.000 0.480 251 P HA -0.166 nan 4.420 nan 0.000 0.218 251 P C 1.053 178.108 177.300 -0.408 0.000 1.149 251 P CA 1.097 63.913 63.100 -0.474 0.000 0.817 251 P CB 0.500 31.726 31.700 -0.789 0.000 0.785 252 Q N 0.638 120.229 119.800 -0.347 0.000 2.050 252 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 252 Q C 2.235 177.983 176.000 -0.420 0.000 0.980 252 Q CA 1.843 57.454 55.803 -0.320 0.000 0.840 252 Q CB -0.484 28.101 28.738 -0.255 0.000 0.898 252 Q HN -0.019 nan 8.270 nan 0.000 0.424 253 K N 0.167 120.173 120.400 -0.656 0.000 2.097 253 K HA -0.124 4.196 4.320 0.001 0.000 0.205 253 K C 2.153 178.164 176.600 -0.982 0.000 1.050 253 K CA 1.402 57.045 56.287 -1.073 0.000 0.938 253 K CB -0.198 30.992 32.500 -2.182 0.000 0.718 253 K HN 0.455 nan 8.250 nan 0.000 0.442 254 Q N 0.260 119.584 119.800 -0.793 0.000 2.030 254 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 254 Q C 2.175 178.058 176.000 -0.194 0.000 0.986 254 Q CA 1.875 57.386 55.803 -0.486 0.000 0.843 254 Q CB -0.273 28.087 28.738 -0.630 0.000 0.904 254 Q HN 0.346 nan 8.270 nan 0.000 0.420 255 A N 1.041 123.731 122.820 -0.218 0.000 1.902 255 A HA -0.232 4.089 4.320 0.001 0.000 0.217 255 A C 1.823 179.371 177.584 -0.060 0.000 1.181 255 A CA 1.571 53.547 52.037 -0.103 0.000 0.623 255 A CB -0.455 18.466 19.000 -0.130 0.000 0.818 255 A HN 0.347 nan 8.150 nan 0.000 0.443 256 E N -0.851 119.274 120.200 -0.126 0.000 2.110 256 E HA -0.191 4.160 4.350 0.001 0.000 0.193 256 E C 1.920 178.533 176.600 0.022 0.000 0.988 256 E CA 1.275 57.633 56.400 -0.071 0.000 0.804 256 E CB -0.207 29.405 29.700 -0.147 0.000 0.745 256 E HN 0.568 nan 8.360 nan 0.000 0.458 257 L N 0.501 121.736 121.223 0.019 0.000 2.044 257 L HA -0.128 4.213 4.340 0.001 0.000 0.205 257 L C 1.961 178.958 176.870 0.211 0.000 1.075 257 L CA 1.384 56.312 54.840 0.146 0.000 0.747 257 L CB -0.304 41.912 42.059 0.262 0.000 0.903 257 L HN 0.124 nan 8.230 nan 0.000 0.435 258 L N 0.249 121.590 121.223 0.198 0.000 2.042 258 L HA -0.210 4.130 4.340 0.001 0.000 0.210 258 L C 2.382 179.359 176.870 0.177 0.000 1.076 258 L CA 1.586 56.551 54.840 0.209 0.000 0.749 258 L CB -1.648 40.536 42.059 0.209 0.000 0.893 258 L HN 0.440 nan 8.230 nan 0.000 0.432 259 N N -0.726 118.056 118.700 0.137 0.000 2.120 259 N HA -0.247 4.494 4.740 0.001 0.000 0.188 259 N C 1.786 177.380 175.510 0.139 0.000 1.024 259 N CA 1.134 54.252 53.050 0.113 0.000 0.852 259 N CB -0.575 37.956 38.487 0.073 0.000 1.003 259 N HN 0.346 nan 8.380 nan 0.000 0.424 260 Y N 1.475 121.806 120.300 0.052 0.000 2.128 260 Y HA -0.144 4.406 4.550 0.001 0.000 0.284 260 Y C 2.171 178.118 175.900 0.078 0.000 1.154 260 Y CA 1.444 59.576 58.100 0.054 0.000 1.149 260 Y CB -0.349 38.136 38.460 0.042 0.000 0.976 260 Y HN -0.029 nan 8.280 nan 0.000 0.505 261 I N 0.103 120.817 120.570 0.240 0.000 2.163 261 I HA -0.331 3.839 4.170 0.001 0.000 0.243 261 I C 2.259 178.477 176.117 0.168 0.000 1.085 261 I CA 1.869 63.283 61.300 0.191 0.000 1.347 261 I CB -0.536 37.616 38.000 0.254 0.000 1.044 261 I HN 0.257 nan 8.210 nan 0.000 0.408 262 D N 0.859 121.348 120.400 0.147 0.000 2.092 262 D HA -0.220 4.420 4.640 0.001 0.000 0.193 262 D C 2.095 178.418 176.300 0.038 0.000 0.994 262 D CA 1.703 55.770 54.000 0.112 0.000 0.828 262 D CB 0.014 40.874 40.800 0.102 0.000 0.963 262 D HN 0.328 nan 8.370 nan 0.000 0.450 263 E N -0.745 119.445 120.200 -0.018 0.000 2.072 263 E HA -0.096 4.254 4.350 0.001 0.000 0.191 263 E C 1.894 178.420 176.600 -0.122 0.000 0.985 263 E CA 0.871 57.230 56.400 -0.067 0.000 0.801 263 E CB 0.175 29.833 29.700 -0.070 0.000 0.750 263 E HN 0.131 nan 8.360 nan 0.000 0.452 264 K N -0.861 119.401 120.400 -0.228 0.000 2.379 264 K HA 0.054 4.374 4.320 0.001 0.000 0.194 264 K C 1.045 177.631 176.600 -0.023 0.000 1.031 264 K CA 0.450 56.599 56.287 -0.229 0.000 1.037 264 K CB 0.397 32.565 32.500 -0.554 0.000 0.824 264 K HN 0.115 nan 8.250 nan 0.000 0.516 265 F N 0.058 119.914 119.950 -0.156 0.000 2.017 265 F HA 0.262 4.789 4.527 0.001 0.000 0.245 265 F C 1.854 177.596 175.800 -0.096 0.000 1.060 265 F CA 0.535 58.458 58.000 -0.129 0.000 1.231 265 F CB -0.383 38.560 39.000 -0.095 0.000 1.527 265 F HN -0.157 nan 8.300 nan 0.000 0.636 266 A N -0.013 122.820 122.820 0.021 0.000 2.019 266 A HA -0.115 4.205 4.320 0.001 0.000 0.219 266 A C 1.580 179.129 177.584 -0.058 0.000 1.164 266 A CA 1.548 53.560 52.037 -0.042 0.000 0.644 266 A CB -0.511 18.563 19.000 0.124 0.000 0.805 266 A HN 0.546 nan 8.150 nan 0.000 0.449 267 Q N -0.917 118.857 119.800 -0.043 0.000 2.280 267 Q HA 0.226 4.566 4.340 0.001 0.000 0.201 267 Q C 1.395 177.353 176.000 -0.070 0.000 0.890 267 Q CA 0.326 56.105 55.803 -0.039 0.000 0.947 267 Q CB 0.480 29.209 28.738 -0.015 0.000 1.081 267 Q HN 0.487 nan 8.270 nan 0.000 0.502 268 V N -0.089 119.751 119.914 -0.124 0.000 2.806 268 V HA 0.038 4.159 4.120 0.001 0.000 0.239 268 V C 0.685 176.672 176.094 -0.179 0.000 1.113 268 V CA 0.537 62.757 62.300 -0.134 0.000 1.137 268 V CB 0.268 32.015 31.823 -0.127 0.000 0.865 268 V HN 0.088 nan 8.190 nan 0.000 0.482 269 K N 1.942 122.159 120.400 -0.304 0.000 2.414 269 K HA 0.133 4.454 4.320 0.001 0.000 0.272 269 K C -1.514 175.018 176.600 -0.113 0.000 0.993 269 K CA -1.484 54.618 56.287 -0.308 0.000 0.964 269 K CB 0.222 32.385 32.500 -0.563 0.000 0.925 269 K HN 0.126 nan 8.250 nan 0.000 0.487 270 P HA -0.085 nan 4.420 nan 0.000 0.229 270 P C -0.165 177.160 177.300 0.041 0.000 1.160 270 P CA 1.119 64.227 63.100 0.013 0.000 0.777 270 P CB 0.321 32.041 31.700 0.035 0.000 0.814 271 D N -1.648 118.800 120.400 0.080 0.000 2.785 271 D HA 0.134 4.775 4.640 0.001 0.000 0.324 271 D C 0.062 176.437 176.300 0.126 0.000 1.523 271 D CA -0.468 53.590 54.000 0.096 0.000 0.789 271 D CB -0.913 39.943 40.800 0.093 0.000 1.171 271 D HN 0.131 nan 8.370 nan 0.000 0.447 272 I N 1.085 121.725 120.570 0.117 0.000 2.441 272 I HA 0.125 4.296 4.170 0.001 0.000 0.287 272 I C 0.880 177.084 176.117 0.145 0.000 1.049 272 I CA -0.341 61.056 61.300 0.161 0.000 1.381 272 I CB 0.863 38.942 38.000 0.131 0.000 1.409 272 I HN -0.057 nan 8.210 nan 0.000 0.523 273 N N 4.593 123.389 118.700 0.160 0.000 2.333 273 N HA 0.084 4.824 4.740 0.001 0.000 0.234 273 N C 0.011 175.604 175.510 0.138 0.000 1.035 273 N CA 0.234 53.372 53.050 0.147 0.000 1.171 273 N CB -0.061 38.510 38.487 0.140 0.000 1.503 273 N HN 0.561 nan 8.380 nan 0.000 0.624 274 Q N 0.542 120.392 119.800 0.083 0.000 2.259 274 Q HA 0.435 4.775 4.340 0.001 0.000 0.249 274 Q C -1.019 175.024 176.000 0.072 0.000 0.914 274 Q CA -0.319 55.481 55.803 -0.005 0.000 0.904 274 Q CB 1.725 30.349 28.738 -0.190 0.000 1.213 274 Q HN 0.165 nan 8.270 nan 0.000 0.428 275 L N 3.213 124.479 121.223 0.071 0.000 2.404 275 L HA 0.496 4.836 4.340 0.001 0.000 0.272 275 L C -1.603 175.306 176.870 0.065 0.000 0.980 275 L CA -0.532 54.386 54.840 0.130 0.000 0.836 275 L CB 1.868 44.039 42.059 0.187 0.000 1.238 275 L HN 0.396 nan 8.230 nan 0.000 0.408 276 V N 5.421 125.361 119.914 0.043 0.000 2.789 276 V HA 0.695 4.815 4.120 0.001 0.000 0.311 276 V C -0.274 175.883 176.094 0.105 0.000 1.073 276 V CA -0.588 61.691 62.300 -0.035 0.000 0.921 276 V CB 1.940 33.611 31.823 -0.253 0.000 1.009 276 V HN 0.863 nan 8.190 nan 0.000 0.426 277 M N 3.428 123.117 119.600 0.148 0.000 2.464 277 M HA 0.761 5.241 4.480 0.001 0.000 0.308 277 M C -0.948 175.524 176.300 0.287 0.000 1.127 277 M CA -0.225 55.237 55.300 0.270 0.000 0.913 277 M CB 1.575 34.365 32.600 0.317 0.000 1.689 277 M HN 0.529 nan 8.290 nan 0.000 0.445 278 C N 5.286 124.794 119.300 0.346 0.000 2.273 278 C HA 0.829 5.289 4.460 0.001 0.000 0.328 278 C C -2.208 172.968 174.990 0.310 0.000 1.275 278 C CA -1.406 57.718 59.018 0.177 0.000 1.704 278 C CB 0.770 28.369 27.740 -0.235 0.000 2.326 278 C HN 0.786 nan 8.230 nan 0.000 0.517 279 P HA 0.200 nan 4.420 nan 0.000 0.274 279 P C 0.613 178.161 177.300 0.412 0.000 1.246 279 P CA 0.191 63.581 63.100 0.484 0.000 0.795 279 P CB 0.655 32.697 31.700 0.570 0.000 1.006 280 T N -0.519 114.241 114.554 0.344 0.000 2.737 280 T HA -0.099 4.252 4.350 0.001 0.000 0.265 280 T C 0.521 175.227 174.700 0.009 0.000 1.038 280 T CA 1.372 63.561 62.100 0.147 0.000 1.144 280 T CB -0.393 68.470 68.868 -0.008 0.000 0.866 280 T HN 0.504 nan 8.240 nan 0.000 0.434 281 E N 1.626 121.646 120.200 -0.300 0.000 1.865 281 E HA 0.116 4.466 4.350 0.001 0.000 0.269 281 E C -0.315 176.401 176.600 0.193 0.000 1.177 281 E CA -0.232 56.103 56.400 -0.108 0.000 0.932 281 E CB 0.235 29.861 29.700 -0.124 0.000 1.066 281 E HN 0.716 nan 8.360 nan 0.000 0.405 282 Y N 1.686 121.955 120.300 -0.052 0.000 2.531 282 Y HA 0.268 4.819 4.550 0.002 0.000 0.249 282 Y C -0.266 175.018 175.900 -1.025 0.000 1.168 282 Y CA -1.030 56.915 58.100 -0.259 0.000 1.226 282 Y CB -0.024 38.215 38.460 -0.368 0.000 1.177 282 Y HN 0.281 nan 8.280 nan 0.000 0.527 283 N N -1.673 116.290 118.700 -1.228 0.000 2.710 283 N HA 0.164 4.905 4.740 0.001 0.000 0.257 283 N C -0.057 175.056 175.510 -0.662 0.000 1.327 283 N CA -1.062 51.081 53.050 -1.512 0.000 0.861 283 N CB 1.471 39.330 38.487 -1.047 0.000 1.532 283 N HN -0.028 nan 8.380 nan 0.000 0.499 284 K N 0.145 120.341 120.400 -0.339 0.000 2.032 284 K HA -0.184 4.137 4.320 0.001 0.000 0.209 284 K C 1.533 178.037 176.600 -0.160 0.000 1.048 284 K CA 2.168 58.358 56.287 -0.161 0.000 0.927 284 K CB -0.305 31.921 32.500 -0.457 0.000 0.712 284 K HN 0.680 nan 8.250 nan 0.000 0.441 285 S N -0.730 114.877 115.700 -0.156 0.000 2.419 285 S HA -0.147 4.323 4.470 0.001 0.000 0.233 285 S C 1.363 176.025 174.600 0.103 0.000 1.016 285 S CA 0.705 58.884 58.200 -0.034 0.000 0.974 285 S CB -0.382 62.812 63.200 -0.010 0.000 0.786 285 S HN 0.466 nan 8.310 nan 0.000 0.492 286 W N 2.512 123.654 121.300 -0.262 0.000 3.353 286 W HA 0.523 5.184 4.660 0.002 0.000 0.304 286 W C 0.230 176.639 176.519 -0.183 0.000 1.273 286 W CA -1.197 55.984 57.345 -0.274 0.000 1.773 286 W CB -0.666 28.506 29.460 -0.481 0.000 1.095 286 W HN 0.141 nan 8.180 nan 0.000 0.676 287 S N 1.187 116.958 115.700 0.119 0.000 2.499 287 S HA 0.102 4.572 4.470 0.001 0.000 0.279 287 S C -0.047 174.631 174.600 0.130 0.000 1.219 287 S CA -0.564 57.744 58.200 0.180 0.000 1.062 287 S CB 0.728 64.181 63.200 0.423 0.000 0.978 287 S HN -0.017 nan 8.310 nan 0.000 0.489 288 N N 3.961 122.721 118.700 0.100 0.000 2.405 288 N HA 0.245 4.986 4.740 0.001 0.000 0.260 288 N C -2.683 172.899 175.510 0.119 0.000 1.152 288 N CA -1.636 51.457 53.050 0.071 0.000 0.948 288 N CB 0.218 38.728 38.487 0.038 0.000 1.111 288 N HN 0.209 nan 8.380 nan 0.000 0.485 289 P HA 0.080 nan 4.420 nan 0.000 0.265 289 P C -0.191 177.168 177.300 0.098 0.000 1.193 289 P CA 0.286 63.465 63.100 0.132 0.000 0.765 289 P CB 0.356 32.114 31.700 0.097 0.000 0.823 290 N N -0.725 118.036 118.700 0.101 0.000 2.863 290 N HA -0.140 4.601 4.740 0.001 0.000 0.245 290 N C 0.653 176.196 175.510 0.055 0.000 1.001 290 N CA 1.582 54.671 53.050 0.065 0.000 0.901 290 N CB -1.584 36.933 38.487 0.049 0.000 1.124 290 N HN 0.640 nan 8.380 nan 0.000 0.582 291 G N 0.821 109.667 108.800 0.076 0.000 2.537 291 G HA2 0.361 4.322 3.960 0.001 0.000 0.273 291 G HA3 0.361 4.322 3.960 0.001 0.000 0.273 291 G C 0.880 175.828 174.900 0.080 0.000 1.189 291 G CA 0.097 45.243 45.100 0.077 0.000 0.881 291 G HN 0.335 nan 8.290 nan 0.000 0.535 292 N N -0.714 118.027 118.700 0.068 0.000 2.235 292 N HA -0.037 4.703 4.740 0.001 0.000 0.209 292 N C 1.010 176.544 175.510 0.040 0.000 1.122 292 N CA -0.431 52.638 53.050 0.032 0.000 0.845 292 N CB -0.254 38.228 38.487 -0.008 0.000 1.004 292 N HN 0.607 nan 8.380 nan 0.000 0.499 293 Y N 1.326 121.631 120.300 0.009 0.000 2.053 293 Y HA -0.123 4.427 4.550 0.000 0.000 0.277 293 Y C 1.727 177.634 175.900 0.013 0.000 1.159 293 Y CA 1.880 59.990 58.100 0.016 0.000 1.125 293 Y CB -0.087 38.403 38.460 0.051 0.000 0.969 293 Y HN 0.076 nan 8.280 nan 0.000 0.492 294 L N -0.614 120.740 121.223 0.218 0.000 2.109 294 L HA -0.159 4.181 4.340 0.001 0.000 0.207 294 L C 2.594 179.423 176.870 -0.068 0.000 1.086 294 L CA 1.634 56.538 54.840 0.106 0.000 0.760 294 L CB -0.913 41.220 42.059 0.123 0.000 0.910 294 L HN 0.410 nan 8.230 nan 0.000 0.437 295 T N -4.549 109.956 114.554 -0.081 0.000 2.821 295 T HA -0.156 4.195 4.350 0.001 0.000 0.267 295 T C 1.812 176.442 174.700 -0.115 0.000 1.046 295 T CA 1.574 63.610 62.100 -0.107 0.000 1.139 295 T CB -0.671 68.138 68.868 -0.098 0.000 0.871 295 T HN 0.168 nan 8.240 nan 0.000 0.454 296 T N 2.706 117.176 114.554 -0.140 0.000 2.652 296 T HA 0.019 4.370 4.350 0.001 0.000 0.267 296 T C 1.902 176.487 174.700 -0.193 0.000 1.039 296 T CA 1.501 63.497 62.100 -0.174 0.000 1.153 296 T CB -0.590 68.146 68.868 -0.221 0.000 0.863 296 T HN 0.310 nan 8.240 nan 0.000 0.428 297 L N 0.590 121.664 121.223 -0.247 0.000 2.017 297 L HA -0.044 4.297 4.340 0.001 0.000 0.208 297 L C 3.078 179.890 176.870 -0.095 0.000 1.073 297 L CA 1.482 56.215 54.840 -0.178 0.000 0.745 297 L CB -1.222 40.741 42.059 -0.159 0.000 0.894 297 L HN 0.379 nan 8.230 nan 0.000 0.432 298 G N -0.158 108.587 108.800 -0.091 0.000 2.446 298 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 298 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 298 G C 1.149 176.012 174.900 -0.061 0.000 1.168 298 G CA 1.124 46.182 45.100 -0.071 0.000 0.771 298 G HN 0.321 nan 8.290 nan 0.000 0.551 299 D N 0.179 120.535 120.400 -0.074 0.000 2.137 299 D HA 0.005 4.646 4.640 0.001 0.000 0.202 299 D C 2.463 178.730 176.300 -0.054 0.000 0.970 299 D CA 0.754 54.717 54.000 -0.062 0.000 0.837 299 D CB 0.017 40.776 40.800 -0.068 0.000 0.981 299 D HN 0.202 nan 8.370 nan 0.000 0.475 300 K N 0.124 120.484 120.400 -0.067 0.000 2.284 300 K HA 0.151 4.471 4.320 0.001 0.000 0.198 300 K C 0.996 177.574 176.600 -0.036 0.000 1.048 300 K CA -0.103 56.148 56.287 -0.060 0.000 0.987 300 K CB 0.348 32.795 32.500 -0.089 0.000 0.800 300 K HN 0.164 nan 8.250 nan 0.000 0.486 301 L N 3.262 124.468 121.223 -0.029 0.000 2.455 301 L HA 0.015 4.355 4.340 0.001 0.000 0.272 301 L C 0.204 177.087 176.870 0.021 0.000 1.174 301 L CA -0.321 54.523 54.840 0.007 0.000 0.869 301 L CB 0.087 42.161 42.059 0.026 0.000 1.130 301 L HN 0.057 nan 8.230 nan 0.000 0.474 302 N N 4.849 123.572 118.700 0.038 0.000 2.412 302 N HA -0.020 4.720 4.740 0.001 0.000 0.254 302 N C -1.581 173.960 175.510 0.051 0.000 1.232 302 N CA -1.110 51.965 53.050 0.042 0.000 0.880 302 N CB 0.463 38.982 38.487 0.053 0.000 1.076 302 N HN 0.321 nan 8.380 nan 0.000 0.458 303 P HA -0.160 nan 4.420 nan 0.000 0.218 303 P C 1.054 178.398 177.300 0.073 0.000 1.146 303 P CA 1.364 64.494 63.100 0.050 0.000 0.813 303 P CB 0.151 31.874 31.700 0.039 0.000 0.778 304 S N -1.444 114.304 115.700 0.079 0.000 2.453 304 S HA -0.036 4.435 4.470 0.001 0.000 0.231 304 S C 0.925 175.595 174.600 0.117 0.000 1.005 304 S CA 0.361 58.621 58.200 0.101 0.000 0.949 304 S CB -1.082 62.175 63.200 0.094 0.000 0.774 304 S HN 0.059 nan 8.310 nan 0.000 0.510 305 I N 2.824 123.459 120.570 0.108 0.000 2.441 305 I HA 0.164 4.335 4.170 0.001 0.000 0.287 305 I C 0.151 176.338 176.117 0.118 0.000 1.049 305 I CA -0.491 60.877 61.300 0.114 0.000 1.381 305 I CB 0.648 38.718 38.000 0.117 0.000 1.409 305 I HN 0.166 nan 8.210 nan 0.000 0.523 306 Q N 6.509 126.371 119.800 0.103 0.000 2.299 306 Q HA 0.547 4.887 4.340 0.001 0.000 0.246 306 Q C -0.577 175.488 176.000 0.108 0.000 0.935 306 Q CA -0.250 55.623 55.803 0.116 0.000 0.887 306 Q CB 2.182 30.941 28.738 0.035 0.000 1.223 306 Q HN 0.520 nan 8.270 nan 0.000 0.439 307 I N 2.364 123.037 120.570 0.171 0.000 2.447 307 I HA 0.327 4.497 4.170 0.001 0.000 0.287 307 I C -0.078 176.207 176.117 0.279 0.000 1.023 307 I CA -0.421 60.999 61.300 0.201 0.000 1.083 307 I CB 1.408 39.516 38.000 0.180 0.000 1.245 307 I HN 0.345 nan 8.210 nan 0.000 0.434 308 M N 5.265 125.037 119.600 0.286 0.000 2.291 308 M HA 0.408 4.889 4.480 0.001 0.000 0.324 308 M C -0.913 175.670 176.300 0.472 0.000 1.148 308 M CA -0.095 55.420 55.300 0.359 0.000 1.104 308 M CB 1.921 34.686 32.600 0.275 0.000 1.483 308 M HN 0.575 nan 8.290 nan 0.000 0.467 309 W N 0.862 122.269 121.300 0.179 0.000 3.707 309 W HA 0.176 4.836 4.660 0.000 0.000 0.294 309 W C -0.415 176.166 176.519 0.104 0.000 1.248 309 W CA -0.556 56.872 57.345 0.139 0.000 1.217 309 W CB 1.747 31.308 29.460 0.168 0.000 1.306 309 W HN 0.804 nan 8.180 nan 0.000 0.532 310 T N 1.196 115.500 114.554 -0.418 0.000 3.069 310 T HA 0.485 4.835 4.350 0.001 0.000 0.252 310 T C 0.763 175.243 174.700 -0.367 0.000 1.053 310 T CA 1.043 62.939 62.100 -0.341 0.000 0.964 310 T CB 0.602 69.209 68.868 -0.435 0.000 1.005 310 T HN 1.294 nan 8.240 nan 0.000 0.532 311 G N 1.249 109.655 108.800 -0.656 0.000 2.378 311 G HA2 -0.137 3.823 3.960 0.001 0.000 0.198 311 G HA3 -0.137 3.823 3.960 0.001 0.000 0.198 311 G C -0.372 174.378 174.900 -0.250 0.000 1.223 311 G CA 0.027 45.029 45.100 -0.164 0.000 1.088 311 G HN 0.156 nan 8.290 nan 0.000 0.530 312 D N 1.022 121.380 120.400 -0.071 0.000 2.269 312 D HA 0.123 4.764 4.640 0.001 0.000 0.208 312 D C 1.500 177.658 176.300 -0.236 0.000 0.963 312 D CA 1.192 55.118 54.000 -0.123 0.000 0.864 312 D CB 0.152 40.911 40.800 -0.069 0.000 0.936 312 D HN 0.459 nan 8.370 nan 0.000 0.505 313 R N -1.334 118.996 120.500 -0.282 0.000 2.855 313 R HA 0.366 4.707 4.340 0.001 0.000 0.266 313 R C 1.169 177.157 176.300 -0.520 0.000 1.034 313 R CA -0.763 55.133 56.100 -0.339 0.000 0.944 313 R CB 1.434 31.619 30.300 -0.192 0.000 1.219 313 R HN -0.315 nan 8.270 nan 0.000 0.474 314 V N 1.050 120.559 119.914 -0.676 0.000 2.250 314 V HA -0.164 3.957 4.120 0.001 0.000 0.250 314 V C 1.004 176.664 176.094 -0.723 0.000 1.060 314 V CA 1.635 63.436 62.300 -0.831 0.000 1.030 314 V CB -0.301 30.894 31.823 -1.047 0.000 0.643 314 V HN 0.462 nan 8.190 nan 0.000 0.445 315 I N 1.145 121.285 120.570 -0.717 0.000 2.354 315 I HA 0.532 4.702 4.170 0.001 0.000 0.286 315 I C -0.115 175.731 176.117 -0.452 0.000 1.007 315 I CA 0.261 61.139 61.300 -0.704 0.000 1.167 315 I CB 0.541 38.006 38.000 -0.892 0.000 1.320 315 I HN 0.400 nan 8.210 nan 0.000 0.458 316 S N 4.219 119.746 115.700 -0.288 0.000 2.588 316 S HA 0.622 5.093 4.470 0.001 0.000 0.269 316 S C -1.334 173.422 174.600 0.260 0.000 1.157 316 S CA -1.006 57.208 58.200 0.023 0.000 0.824 316 S CB 2.712 65.902 63.200 -0.017 0.000 1.126 316 S HN 0.391 nan 8.310 nan 0.000 0.464 317 D N 0.893 121.475 120.400 0.303 0.000 2.229 317 D HA 0.491 5.132 4.640 0.001 0.000 0.249 317 D C -0.223 176.154 176.300 0.127 0.000 1.027 317 D CA -0.445 53.713 54.000 0.264 0.000 0.923 317 D CB 0.911 41.814 40.800 0.172 0.000 1.174 317 D HN 0.479 nan 8.370 nan 0.000 0.443 318 I N 1.697 122.297 120.570 0.050 0.000 2.325 318 I HA 0.153 4.324 4.170 0.001 0.000 0.291 318 I C 1.077 177.255 176.117 0.103 0.000 1.019 318 I CA -0.355 61.017 61.300 0.121 0.000 1.302 318 I CB 0.135 38.252 38.000 0.195 0.000 1.401 318 I HN 0.298 nan 8.210 nan 0.000 0.485 319 T N 2.915 117.543 114.554 0.124 0.000 2.949 319 T HA 0.454 4.805 4.350 0.001 0.000 0.287 319 T C 1.046 175.816 174.700 0.116 0.000 1.034 319 T CA -0.776 61.386 62.100 0.104 0.000 1.018 319 T CB 2.292 71.216 68.868 0.092 0.000 1.135 319 T HN 0.634 nan 8.240 nan 0.000 0.532 320 R N 0.074 120.631 120.500 0.095 0.000 2.075 320 R HA -0.095 4.246 4.340 0.001 0.000 0.232 320 R C 1.266 177.629 176.300 0.105 0.000 1.126 320 R CA 1.745 57.899 56.100 0.091 0.000 0.963 320 R CB -0.493 29.848 30.300 0.069 0.000 0.858 320 R HN 0.694 nan 8.270 nan 0.000 0.435 321 D N -0.435 120.028 120.400 0.106 0.000 2.117 321 D HA -0.083 4.557 4.640 0.001 0.000 0.198 321 D C 1.727 178.133 176.300 0.177 0.000 0.982 321 D CA 1.536 55.611 54.000 0.126 0.000 0.828 321 D CB -0.512 40.350 40.800 0.103 0.000 0.967 321 D HN 0.501 nan 8.370 nan 0.000 0.464 322 G N 0.781 109.684 108.800 0.172 0.000 2.418 322 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 322 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 322 G C 1.714 176.796 174.900 0.302 0.000 1.158 322 G CA 0.209 45.451 45.100 0.237 0.000 0.771 322 G HN 0.311 nan 8.290 nan 0.000 0.545 323 I N 0.897 121.603 120.570 0.227 0.000 2.546 323 I HA -0.094 4.077 4.170 0.001 0.000 0.255 323 I C 2.680 178.861 176.117 0.106 0.000 1.163 323 I CA 0.935 62.340 61.300 0.174 0.000 1.457 323 I CB 0.155 38.252 38.000 0.162 0.000 1.092 323 I HN 0.126 nan 8.210 nan 0.000 0.434 324 S N 0.036 115.811 115.700 0.124 0.000 2.368 324 S HA -0.248 4.223 4.470 0.001 0.000 0.224 324 S C 1.471 176.118 174.600 0.078 0.000 1.029 324 S CA 1.396 59.645 58.200 0.081 0.000 0.988 324 S CB -0.680 62.573 63.200 0.089 0.000 0.838 324 S HN 0.699 nan 8.310 nan 0.000 0.462 325 W N 1.961 123.249 121.300 -0.021 0.000 2.333 325 W HA -0.156 4.504 4.660 -0.001 0.000 0.316 325 W C 2.007 178.440 176.519 -0.143 0.000 1.215 325 W CA 1.178 58.502 57.345 -0.035 0.000 1.278 325 W CB -0.441 29.039 29.460 0.034 0.000 1.154 325 W HN 0.224 nan 8.180 nan 0.000 0.486 326 I N 1.603 122.194 120.570 0.034 0.000 2.202 326 I HA -0.299 3.872 4.170 0.001 0.000 0.242 326 I C 1.885 177.773 176.117 -0.381 0.000 1.091 326 I CA 1.945 62.974 61.300 -0.451 0.000 1.368 326 I CB -1.029 36.268 38.000 -1.172 0.000 1.058 326 I HN -0.048 nan 8.210 nan 0.000 0.410 327 N N 0.825 119.396 118.700 -0.215 0.000 2.205 327 N HA -0.201 4.539 4.740 0.001 0.000 0.186 327 N C 1.803 177.219 175.510 -0.155 0.000 1.015 327 N CA 1.284 54.248 53.050 -0.143 0.000 0.862 327 N CB -0.324 38.126 38.487 -0.062 0.000 0.986 327 N HN 0.520 nan 8.380 nan 0.000 0.429 328 E N 0.219 120.303 120.200 -0.193 0.000 2.110 328 E HA -0.110 4.240 4.350 0.001 0.000 0.193 328 E C 1.827 178.284 176.600 -0.237 0.000 0.988 328 E CA 0.865 57.145 56.400 -0.201 0.000 0.804 328 E CB 0.100 29.652 29.700 -0.246 0.000 0.745 328 E HN 0.353 nan 8.360 nan 0.000 0.458 329 R N 0.125 120.427 120.500 -0.331 0.000 2.090 329 R HA 0.035 4.375 4.340 0.001 0.000 0.219 329 R C 2.504 178.682 176.300 -0.204 0.000 1.100 329 R CA 0.924 56.837 56.100 -0.312 0.000 0.991 329 R CB -0.151 29.872 30.300 -0.462 0.000 0.893 329 R HN 0.254 nan 8.270 nan 0.000 0.443 330 I N -1.567 118.888 120.570 -0.191 0.000 3.578 330 I HA 0.108 4.278 4.170 0.001 0.000 0.295 330 I C -0.333 175.741 176.117 -0.072 0.000 1.280 330 I CA 0.150 61.383 61.300 -0.111 0.000 1.347 330 I CB 0.290 38.239 38.000 -0.085 0.000 1.051 330 I HN -0.085 nan 8.210 nan 0.000 0.460 331 K N 2.198 122.547 120.400 -0.085 0.000 3.160 331 K HA -0.188 4.133 4.320 0.001 0.000 0.280 331 K C -0.318 176.268 176.600 -0.023 0.000 1.154 331 K CA 1.204 57.458 56.287 -0.055 0.000 0.822 331 K CB -1.981 30.490 32.500 -0.048 0.000 1.239 331 K HN 0.902 nan 8.250 nan 0.000 0.489 332 R N -2.633 117.858 120.500 -0.015 0.000 2.712 332 R HA 0.480 4.820 4.340 0.001 0.000 0.272 332 R C -3.363 172.954 176.300 0.028 0.000 1.032 332 R CA -1.893 54.220 56.100 0.021 0.000 0.874 332 R CB 1.095 31.425 30.300 0.050 0.000 1.256 332 R HN -0.293 nan 8.270 nan 0.000 0.468 333 P HA 0.148 nan 4.420 nan 0.000 0.276 333 P C -0.513 176.856 177.300 0.116 0.000 1.243 333 P CA -0.042 63.099 63.100 0.068 0.000 0.768 333 P CB 1.104 32.846 31.700 0.070 0.000 0.856 334 A N 3.925 126.809 122.820 0.106 0.000 2.466 334 A HA 0.077 4.398 4.320 0.001 0.000 0.238 334 A C -0.641 177.107 177.584 0.272 0.000 1.074 334 A CA 0.081 52.224 52.037 0.177 0.000 0.774 334 A CB -0.401 18.680 19.000 0.135 0.000 1.015 334 A HN 0.603 nan 8.150 nan 0.000 0.498 335 Y N 3.271 123.691 120.300 0.199 0.000 2.434 335 Y HA 0.376 4.927 4.550 0.001 0.000 0.341 335 Y C -0.106 175.914 175.900 0.200 0.000 0.965 335 Y CA -0.978 57.242 58.100 0.200 0.000 1.205 335 Y CB 0.432 39.001 38.460 0.181 0.000 1.121 335 Y HN 0.468 nan 8.280 nan 0.000 0.507 336 I N 6.451 127.136 120.570 0.192 0.000 2.533 336 I HA -0.130 4.041 4.170 0.001 0.000 0.284 336 I C -0.207 175.942 176.117 0.054 0.000 1.109 336 I CA -0.164 61.204 61.300 0.113 0.000 1.412 336 I CB 0.254 38.210 38.000 -0.073 0.000 1.396 336 I HN 0.715 nan 8.210 nan 0.000 0.543 337 W N 9.309 130.567 121.300 -0.071 0.000 2.288 337 W HA 0.190 4.851 4.660 0.002 0.000 0.325 337 W C -1.235 175.181 176.519 -0.172 0.000 1.019 337 W CA -1.555 55.697 57.345 -0.155 0.000 1.403 337 W CB 0.939 30.274 29.460 -0.208 0.000 1.226 337 W HN 0.553 nan 8.180 nan 0.000 0.391 338 W N 8.161 129.359 121.300 -0.170 0.000 2.316 338 W HA 0.277 4.937 4.660 0.000 0.000 0.308 338 W C 0.210 176.738 176.519 0.014 0.000 1.106 338 W CA -0.794 56.458 57.345 -0.155 0.000 1.262 338 W CB 0.565 29.830 29.460 -0.324 0.000 1.233 338 W HN 0.230 nan 8.180 nan 0.000 0.447 339 N N 6.872 125.394 118.700 -0.296 0.000 3.254 339 N HA 0.076 4.816 4.740 0.001 0.000 0.308 339 N C -1.563 173.592 175.510 -0.592 0.000 1.281 339 N CA 0.303 53.142 53.050 -0.352 0.000 1.212 339 N CB -0.641 37.639 38.487 -0.344 0.000 1.478 339 N HN 0.352 nan 8.380 nan 0.000 0.548 340 F N 0.862 120.254 119.950 -0.930 0.000 2.635 340 F HA 0.329 4.857 4.527 0.001 0.000 0.314 340 F C -2.302 173.169 175.800 -0.547 0.000 1.119 340 F CA -1.687 55.782 58.000 -0.884 0.000 1.000 340 F CB 2.301 40.435 39.000 -1.443 0.000 1.278 340 F HN -0.049 nan 8.300 nan 0.000 0.446 341 P HA 0.031 nan 4.420 nan 0.000 0.256 341 P C 0.205 177.087 177.300 -0.696 0.000 1.384 341 P CA 0.333 62.547 63.100 -1.476 0.000 0.879 341 P CB 0.326 31.348 31.700 -1.130 0.000 1.403 342 V N 2.271 121.930 119.914 -0.425 0.000 2.644 342 V HA -0.089 4.032 4.120 0.001 0.000 0.303 342 V C 1.165 177.108 176.094 -0.251 0.000 1.058 342 V CA 1.555 63.707 62.300 -0.247 0.000 1.228 342 V CB -0.120 31.658 31.823 -0.074 0.000 0.861 342 V HN 0.398 nan 8.190 nan 0.000 0.484 343 S N 2.318 117.847 115.700 -0.285 0.000 2.664 343 S HA 0.163 4.633 4.470 0.001 0.000 0.245 343 S C 0.771 175.215 174.600 -0.259 0.000 1.019 343 S CA 0.077 58.065 58.200 -0.354 0.000 0.996 343 S CB 0.171 63.219 63.200 -0.254 0.000 0.878 343 S HN 0.962 nan 8.310 nan 0.000 0.493 344 D N 1.520 121.870 120.400 -0.083 0.000 2.371 344 D HA -0.141 4.499 4.640 0.001 0.000 0.221 344 D C 1.133 177.503 176.300 0.116 0.000 0.986 344 D CA 0.418 54.451 54.000 0.055 0.000 0.899 344 D CB -0.685 40.225 40.800 0.183 0.000 0.902 344 D HN 0.752 nan 8.370 nan 0.000 0.530 345 Y N -0.641 119.678 120.300 0.032 0.000 2.444 345 Y HA 0.374 4.925 4.550 0.001 0.000 0.249 345 Y C 0.544 176.478 175.900 0.057 0.000 1.134 345 Y CA -0.554 57.568 58.100 0.037 0.000 1.261 345 Y CB 0.254 38.763 38.460 0.082 0.000 1.143 345 Y HN -0.045 nan 8.280 nan 0.000 0.523 346 V N -1.546 118.180 119.914 -0.313 0.000 2.575 346 V HA 0.483 4.604 4.120 0.001 0.000 0.281 346 V C 0.696 176.805 176.094 0.026 0.000 1.087 346 V CA -0.757 61.447 62.300 -0.161 0.000 1.193 346 V CB 0.312 31.914 31.823 -0.368 0.000 1.426 346 V HN 0.249 nan 8.190 nan 0.000 0.623 347 R N 1.322 121.886 120.500 0.107 0.000 2.237 347 R HA -0.050 4.291 4.340 0.001 0.000 0.219 347 R C 1.387 177.889 176.300 0.337 0.000 1.080 347 R CA 1.528 57.736 56.100 0.180 0.000 0.995 347 R CB 0.085 30.500 30.300 0.193 0.000 0.875 347 R HN 0.879 nan 8.270 nan 0.000 0.462 348 D N -1.017 119.588 120.400 0.341 0.000 2.349 348 D HA -0.063 4.578 4.640 0.001 0.000 0.224 348 D C 0.234 176.829 176.300 0.490 0.000 1.029 348 D CA 0.530 54.758 54.000 0.380 0.000 0.879 348 D CB -0.108 40.803 40.800 0.185 0.000 0.906 348 D HN 0.215 nan 8.370 nan 0.000 0.528 349 H N 0.080 119.326 119.070 0.293 0.000 2.492 349 H HA 0.401 4.957 4.556 0.001 0.000 0.345 349 H C -0.085 175.130 175.328 -0.187 0.000 1.136 349 H CA -0.873 55.255 56.048 0.133 0.000 1.202 349 H CB 2.231 32.007 29.762 0.024 0.000 1.524 349 H HN -0.090 nan 8.280 nan 0.000 0.506 350 L N 3.799 124.780 121.223 -0.405 0.000 2.312 350 L HA 0.284 4.625 4.340 0.001 0.000 0.281 350 L C -0.082 176.643 176.870 -0.242 0.000 1.070 350 L CA -0.591 53.939 54.840 -0.517 0.000 0.805 350 L CB 0.938 42.520 42.059 -0.796 0.000 1.174 350 L HN 0.346 nan 8.230 nan 0.000 0.434 351 L N 5.545 126.638 121.223 -0.217 0.000 2.387 351 L HA 0.336 4.677 4.340 0.001 0.000 0.259 351 L C 0.319 177.139 176.870 -0.082 0.000 1.050 351 L CA -0.095 54.673 54.840 -0.120 0.000 0.922 351 L CB 0.653 42.595 42.059 -0.196 0.000 1.280 351 L HN 0.640 nan 8.230 nan 0.000 0.449 352 L N 1.340 122.568 121.223 0.009 0.000 2.769 352 L HA 0.353 4.693 4.340 0.001 0.000 0.240 352 L C 1.323 178.411 176.870 0.363 0.000 1.163 352 L CA -0.195 54.709 54.840 0.106 0.000 0.962 352 L CB 0.272 42.331 42.059 0.000 0.000 1.258 352 L HN 0.594 nan 8.230 nan 0.000 0.513 353 G N 0.659 109.637 108.800 0.297 0.000 2.582 353 G HA2 0.389 4.350 3.960 0.001 0.000 0.283 353 G HA3 0.389 4.350 3.960 0.001 0.000 0.283 353 G C -2.491 172.447 174.900 0.064 0.000 1.270 353 G CA -0.951 44.214 45.100 0.109 0.000 0.998 353 G HN -0.131 nan 8.290 nan 0.000 0.499 354 P HA 0.131 nan 4.420 nan 0.000 0.269 354 P C -0.269 177.048 177.300 0.028 0.000 1.215 354 P CA -0.314 62.569 63.100 -0.362 0.000 0.780 354 P CB 0.844 31.900 31.700 -1.074 0.000 0.898 355 V N 4.260 124.293 119.914 0.200 0.000 2.389 355 V HA 0.251 4.371 4.120 0.001 0.000 0.264 355 V C -0.043 176.137 176.094 0.143 0.000 1.049 355 V CA 0.432 62.863 62.300 0.218 0.000 0.932 355 V CB -1.157 30.897 31.823 0.385 0.000 1.011 355 V HN 0.575 nan 8.190 nan 0.000 0.475 356 Y N 2.110 122.345 120.300 -0.109 0.000 2.655 356 Y HA 0.854 5.405 4.550 0.001 0.000 0.336 356 Y C 0.689 176.504 175.900 -0.143 0.000 1.154 356 Y CA -0.529 57.487 58.100 -0.139 0.000 1.055 356 Y CB 1.580 39.934 38.460 -0.176 0.000 1.295 356 Y HN 0.669 nan 8.280 nan 0.000 0.465 357 G N 0.790 109.620 108.800 0.050 0.000 2.218 357 G HA2 -0.231 3.729 3.960 0.001 0.000 0.216 357 G HA3 -0.231 3.729 3.960 0.001 0.000 0.216 357 G C -0.750 174.095 174.900 -0.092 0.000 0.994 357 G CA -0.184 44.920 45.100 0.007 0.000 0.637 357 G HN 0.699 nan 8.290 nan 0.000 0.505 358 N N 1.894 120.419 118.700 -0.292 0.000 2.434 358 N HA 0.328 5.068 4.740 0.001 0.000 0.272 358 N C -0.717 174.727 175.510 -0.110 0.000 1.040 358 N CA -0.394 52.454 53.050 -0.336 0.000 0.956 358 N CB 1.460 39.434 38.487 -0.855 0.000 1.108 358 N HN 0.332 nan 8.380 nan 0.000 0.481 359 D N 1.074 121.485 120.400 0.018 0.000 2.533 359 D HA -0.068 4.573 4.640 0.001 0.000 0.236 359 D C 0.797 177.182 176.300 0.143 0.000 1.137 359 D CA 0.560 54.607 54.000 0.077 0.000 0.867 359 D CB 0.831 41.676 40.800 0.075 0.000 1.170 359 D HN 0.548 nan 8.370 nan 0.000 0.474 360 T N -0.592 114.043 114.554 0.134 0.000 3.144 360 T HA -0.004 4.346 4.350 0.001 0.000 0.249 360 T C 1.292 176.003 174.700 0.017 0.000 1.089 360 T CA 0.454 62.631 62.100 0.128 0.000 0.989 360 T CB -0.114 68.849 68.868 0.158 0.000 0.992 360 T HN 0.402 nan 8.240 nan 0.000 0.540 361 T N -0.334 114.233 114.554 0.020 0.000 3.084 361 T HA 0.332 4.683 4.350 0.001 0.000 0.270 361 T C 1.163 175.856 174.700 -0.011 0.000 1.008 361 T CA -0.496 61.602 62.100 -0.002 0.000 0.900 361 T CB -0.723 68.154 68.868 0.015 0.000 1.084 361 T HN 0.650 nan 8.240 nan 0.000 0.538 362 I N -1.816 118.747 120.570 -0.011 0.000 3.914 362 I HA 0.698 4.869 4.170 0.001 0.000 0.333 362 I C 2.022 178.123 176.117 -0.027 0.000 1.449 362 I CA -0.737 60.565 61.300 0.003 0.000 1.135 362 I CB -0.202 37.827 38.000 0.048 0.000 1.073 362 I HN 0.079 nan 8.210 nan 0.000 0.401 363 A N 2.254 125.022 122.820 -0.087 0.000 1.986 363 A HA -0.204 4.117 4.320 0.001 0.000 0.220 363 A C 2.295 179.837 177.584 -0.069 0.000 1.171 363 A CA 1.750 53.713 52.037 -0.122 0.000 0.640 363 A CB -0.416 18.475 19.000 -0.181 0.000 0.811 363 A HN 0.554 nan 8.150 nan 0.000 0.451 364 K N -0.457 119.917 120.400 -0.043 0.000 2.366 364 K HA -0.031 4.289 4.320 0.001 0.000 0.198 364 K C 0.998 177.597 176.600 -0.002 0.000 1.044 364 K CA 0.921 57.194 56.287 -0.024 0.000 0.973 364 K CB 0.105 32.595 32.500 -0.017 0.000 0.767 364 K HN 0.441 nan 8.250 nan 0.000 0.475 365 E N 0.531 120.737 120.200 0.011 0.000 2.479 365 E HA 0.023 4.374 4.350 0.001 0.000 0.193 365 E C 0.593 177.226 176.600 0.055 0.000 1.049 365 E CA 0.345 56.764 56.400 0.033 0.000 0.870 365 E CB 0.065 29.791 29.700 0.043 0.000 0.944 365 E HN 0.425 nan 8.360 nan 0.000 0.492 366 M N -1.904 117.727 119.600 0.052 0.000 2.395 366 M HA 0.501 4.982 4.480 0.001 0.000 0.307 366 M C 0.421 176.754 176.300 0.055 0.000 1.091 366 M CA -0.623 54.725 55.300 0.081 0.000 0.919 366 M CB 2.289 34.962 32.600 0.122 0.000 1.662 366 M HN -0.407 nan 8.290 nan 0.000 0.440 367 S N 1.561 117.318 115.700 0.095 0.000 2.436 367 S HA 0.304 4.774 4.470 0.001 0.000 0.228 367 S C 0.725 175.346 174.600 0.034 0.000 1.014 367 S CA 0.842 59.118 58.200 0.127 0.000 0.950 367 S CB 0.042 63.421 63.200 0.298 0.000 0.784 367 S HN 0.956 nan 8.310 nan 0.000 0.504 368 G N -0.157 108.534 108.800 -0.181 0.000 2.673 368 G HA2 0.586 4.546 3.960 0.001 0.000 0.292 368 G HA3 0.586 4.546 3.960 0.001 0.000 0.292 368 G C -2.106 172.644 174.900 -0.250 0.000 1.450 368 G CA -0.651 44.145 45.100 -0.506 0.000 0.837 368 G HN 0.128 nan 8.290 nan 0.000 0.505 369 F N 1.756 121.553 119.950 -0.255 0.000 2.617 369 F HA 0.577 5.104 4.527 0.001 0.000 0.325 369 F C -0.326 175.471 175.800 -0.006 0.000 1.179 369 F CA -0.797 57.169 58.000 -0.057 0.000 0.965 369 F CB 1.988 40.995 39.000 0.011 0.000 1.232 369 F HN 0.565 nan 8.300 nan 0.000 0.461 370 V N 2.319 122.158 119.914 -0.124 0.000 2.680 370 V HA 0.717 4.837 4.120 0.001 0.000 0.309 370 V C -0.436 175.602 176.094 -0.093 0.000 1.052 370 V CA -0.562 61.716 62.300 -0.038 0.000 0.908 370 V CB 1.326 33.112 31.823 -0.062 0.000 1.001 370 V HN 0.775 nan 8.190 nan 0.000 0.431 371 T N 2.818 117.413 114.554 0.069 0.000 2.806 371 T HA 0.355 4.706 4.350 0.001 0.000 0.290 371 T C -0.139 174.487 174.700 -0.123 0.000 0.966 371 T CA -0.316 61.849 62.100 0.107 0.000 1.060 371 T CB 0.578 69.636 68.868 0.316 0.000 0.927 371 T HN 0.973 nan 8.240 nan 0.000 0.485 372 N N 6.253 124.828 118.700 -0.207 0.000 2.406 372 N HA 0.418 5.159 4.740 0.001 0.000 0.251 372 N C -2.332 173.115 175.510 -0.104 0.000 1.069 372 N CA -1.880 51.032 53.050 -0.230 0.000 0.947 372 N CB 1.077 39.488 38.487 -0.127 0.000 1.111 372 N HN 0.421 nan 8.380 nan 0.000 0.497 373 P HA 0.289 nan 4.420 nan 0.000 0.301 373 P C -0.245 176.951 177.300 -0.173 0.000 1.309 373 P CA -0.544 62.552 63.100 -0.006 0.000 0.782 373 P CB 1.160 33.035 31.700 0.291 0.000 1.282 374 M N 0.109 119.575 119.600 -0.224 0.000 2.228 374 M HA 0.098 4.578 4.480 0.001 0.000 0.326 374 M C 1.827 177.709 176.300 -0.696 0.000 1.122 374 M CA 0.108 55.146 55.300 -0.437 0.000 1.161 374 M CB 0.192 32.642 32.600 -0.251 0.000 1.437 374 M HN 0.476 nan 8.290 nan 0.000 0.465 375 E N 0.431 119.957 120.200 -1.122 0.000 2.333 375 E HA -0.153 4.198 4.350 0.001 0.000 0.198 375 E C -0.226 176.186 176.600 -0.313 0.000 1.007 375 E CA 1.062 56.869 56.400 -0.990 0.000 0.845 375 E CB -0.107 29.148 29.700 -0.743 0.000 0.766 375 E HN 0.511 nan 8.360 nan 0.000 0.507 376 H N 0.532 119.552 119.070 -0.082 0.000 2.911 376 H HA 0.316 4.873 4.556 0.001 0.000 0.273 376 H C 0.698 175.954 175.328 -0.121 0.000 1.157 376 H CA 0.268 56.263 56.048 -0.087 0.000 1.402 376 H CB 1.343 30.999 29.762 -0.178 0.000 1.463 376 H HN 0.264 nan 8.280 nan 0.000 0.475 377 A N 3.759 126.433 122.820 -0.243 0.000 1.873 377 A HA -0.131 4.189 4.320 0.001 0.000 0.215 377 A C 2.125 179.409 177.584 -0.499 0.000 1.186 377 A CA 0.903 52.487 52.037 -0.754 0.000 0.616 377 A CB 0.086 18.142 19.000 -1.573 0.000 0.823 377 A HN 0.527 nan 8.150 nan 0.000 0.442 378 E N 0.432 120.404 120.200 -0.379 0.000 2.072 378 E HA -0.100 4.250 4.350 0.001 0.000 0.191 378 E C 2.308 178.755 176.600 -0.255 0.000 0.985 378 E CA 1.335 57.532 56.400 -0.338 0.000 0.801 378 E CB -0.544 28.992 29.700 -0.274 0.000 0.750 378 E HN 0.551 nan 8.360 nan 0.000 0.452 379 S N 1.142 116.737 115.700 -0.176 0.000 2.400 379 S HA -0.093 4.378 4.470 0.001 0.000 0.232 379 S C 2.110 176.645 174.600 -0.108 0.000 1.025 379 S CA 0.941 59.058 58.200 -0.138 0.000 0.993 379 S CB -0.108 63.007 63.200 -0.142 0.000 0.808 379 S HN 0.144 nan 8.310 nan 0.000 0.478 380 S N 1.204 116.851 115.700 -0.089 0.000 2.453 380 S HA 0.015 4.486 4.470 0.001 0.000 0.231 380 S C 1.665 176.279 174.600 0.024 0.000 1.005 380 S CA 0.626 58.816 58.200 -0.017 0.000 0.949 380 S CB -0.097 63.163 63.200 0.099 0.000 0.774 380 S HN 0.489 nan 8.310 nan 0.000 0.510 381 K N 1.103 121.443 120.400 -0.101 0.000 2.152 381 K HA -0.071 4.250 4.320 0.001 0.000 0.206 381 K C 1.720 178.395 176.600 0.125 0.000 1.048 381 K CA 1.053 57.265 56.287 -0.124 0.000 0.933 381 K CB -0.395 31.715 32.500 -0.649 0.000 0.721 381 K HN 0.370 nan 8.250 nan 0.000 0.447 382 I N 1.066 121.672 120.570 0.059 0.000 2.091 382 I HA -0.361 3.810 4.170 0.001 0.000 0.239 382 I C 2.539 178.846 176.117 0.316 0.000 1.061 382 I CA 1.625 63.003 61.300 0.130 0.000 1.317 382 I CB -0.487 37.565 38.000 0.087 0.000 1.031 382 I HN 0.175 nan 8.210 nan 0.000 0.401 383 A N 0.608 123.618 122.820 0.316 0.000 1.933 383 A HA -0.143 4.177 4.320 0.001 0.000 0.218 383 A C 2.297 180.145 177.584 0.440 0.000 1.175 383 A CA 1.474 53.765 52.037 0.423 0.000 0.628 383 A CB -0.841 18.371 19.000 0.352 0.000 0.814 383 A HN 0.416 nan 8.150 nan 0.000 0.444 384 I N -2.074 118.740 120.570 0.406 0.000 2.226 384 I HA -0.268 3.902 4.170 0.001 0.000 0.245 384 I C 2.453 178.868 176.117 0.496 0.000 1.100 384 I CA 1.774 63.343 61.300 0.448 0.000 1.374 384 I CB -0.415 37.885 38.000 0.500 0.000 1.057 384 I HN 0.556 nan 8.210 nan 0.000 0.413 385 Y N 1.181 121.751 120.300 0.449 0.000 2.224 385 Y HA -0.286 4.264 4.550 0.001 0.000 0.289 385 Y C 2.703 178.746 175.900 0.239 0.000 1.146 385 Y CA 1.883 60.167 58.100 0.306 0.000 1.182 385 Y CB 0.025 38.700 38.460 0.358 0.000 0.983 385 Y HN 0.055 nan 8.280 nan 0.000 0.524 386 S N -0.719 115.317 115.700 0.561 0.000 2.371 386 S HA -0.151 4.319 4.470 0.001 0.000 0.224 386 S C 1.996 176.772 174.600 0.294 0.000 1.029 386 S CA 1.232 59.734 58.200 0.503 0.000 0.978 386 S CB -0.501 63.020 63.200 0.535 0.000 0.833 386 S HN 0.317 nan 8.310 nan 0.000 0.466 387 V N 2.335 122.413 119.914 0.273 0.000 2.343 387 V HA -0.200 3.920 4.120 0.001 0.000 0.247 387 V C 2.659 178.824 176.094 0.118 0.000 1.051 387 V CA 1.592 63.998 62.300 0.178 0.000 1.036 387 V CB -1.291 30.763 31.823 0.384 0.000 0.654 387 V HN 0.520 nan 8.190 nan 0.000 0.451 388 A N -0.420 122.471 122.820 0.118 0.000 1.903 388 A HA -0.313 4.008 4.320 0.001 0.000 0.219 388 A C 2.579 180.152 177.584 -0.018 0.000 1.191 388 A CA 2.637 54.684 52.037 0.017 0.000 0.638 388 A CB -0.911 18.041 19.000 -0.081 0.000 0.823 388 A HN 0.504 nan 8.150 nan 0.000 0.451 389 S N -2.143 113.554 115.700 -0.006 0.000 2.355 389 S HA -0.184 4.287 4.470 0.001 0.000 0.222 389 S C 1.934 176.589 174.600 0.090 0.000 1.031 389 S CA 1.586 59.818 58.200 0.053 0.000 0.993 389 S CB -0.556 62.756 63.200 0.187 0.000 0.859 389 S HN 0.706 nan 8.310 nan 0.000 0.453 390 Y N 1.986 122.139 120.300 -0.245 0.000 2.181 390 Y HA 0.020 4.570 4.550 0.001 0.000 0.288 390 Y C 2.297 177.961 175.900 -0.392 0.000 1.146 390 Y CA 1.418 59.153 58.100 -0.609 0.000 1.164 390 Y CB -0.922 36.785 38.460 -1.255 0.000 0.982 390 Y HN 0.286 nan 8.280 nan 0.000 0.515 391 A N 0.423 122.970 122.820 -0.454 0.000 2.014 391 A HA -0.140 4.180 4.320 0.001 0.000 0.218 391 A C 2.200 179.623 177.584 -0.269 0.000 1.163 391 A CA 1.141 52.896 52.037 -0.469 0.000 0.652 391 A CB -1.408 17.489 19.000 -0.171 0.000 0.808 391 A HN 0.850 nan 8.150 nan 0.000 0.449 392 W N 0.257 121.380 121.300 -0.294 0.000 2.441 392 W HA 0.039 4.700 4.660 0.001 0.000 0.302 392 W C -0.063 176.295 176.519 -0.268 0.000 1.191 392 W CA 1.432 58.631 57.345 -0.244 0.000 1.327 392 W CB 0.032 29.361 29.460 -0.220 0.000 1.128 392 W HN 0.378 nan 8.180 nan 0.000 0.522 393 N N 0.549 119.239 118.700 -0.016 0.000 2.752 393 N HA 0.161 4.901 4.740 0.001 0.000 0.260 393 N C -2.029 173.415 175.510 -0.109 0.000 1.562 393 N CA -1.704 51.295 53.050 -0.084 0.000 0.788 393 N CB 0.782 39.321 38.487 0.087 0.000 1.192 393 N HN -0.146 nan 8.380 nan 0.000 0.503 394 P HA -0.063 nan 4.420 nan 0.000 0.218 394 P C 1.091 178.367 177.300 -0.039 0.000 1.149 394 P CA 0.762 63.688 63.100 -0.288 0.000 0.817 394 P CB 0.331 31.679 31.700 -0.587 0.000 0.785 395 A N 0.523 123.304 122.820 -0.065 0.000 1.972 395 A HA -0.136 4.184 4.320 0.001 0.000 0.219 395 A C 1.999 179.598 177.584 0.025 0.000 1.169 395 A CA 1.503 53.530 52.037 -0.017 0.000 0.635 395 A CB -0.739 18.234 19.000 -0.044 0.000 0.810 395 A HN 0.048 nan 8.150 nan 0.000 0.446 396 K N -1.136 119.285 120.400 0.034 0.000 2.397 396 K HA 0.127 4.448 4.320 0.001 0.000 0.202 396 K C -0.471 176.187 176.600 0.096 0.000 1.022 396 K CA -0.419 55.897 56.287 0.048 0.000 1.141 396 K CB -0.246 32.270 32.500 0.027 0.000 0.857 396 K HN 0.543 nan 8.250 nan 0.000 0.514 397 Y N 2.618 122.933 120.300 0.026 0.000 2.569 397 Y HA -0.020 4.530 4.550 0.001 0.000 0.332 397 Y C -0.229 175.715 175.900 0.073 0.000 1.120 397 Y CA -0.451 57.691 58.100 0.070 0.000 1.416 397 Y CB 0.352 38.902 38.460 0.149 0.000 1.210 397 Y HN -0.047 nan 8.280 nan 0.000 0.528 398 D N 4.887 124.922 120.400 -0.608 0.000 2.461 398 D HA 0.167 4.807 4.640 0.001 0.000 0.240 398 D C 0.522 176.409 176.300 -0.688 0.000 1.094 398 D CA -0.202 53.529 54.000 -0.448 0.000 0.868 398 D CB 1.442 42.148 40.800 -0.156 0.000 1.062 398 D HN 0.772 nan 8.370 nan 0.000 0.530 399 T N 2.291 116.443 114.554 -0.670 0.000 2.652 399 T HA -0.176 4.174 4.350 0.001 0.000 0.267 399 T C 1.520 176.065 174.700 -0.258 0.000 1.039 399 T CA 1.283 63.086 62.100 -0.496 0.000 1.153 399 T CB -0.256 68.403 68.868 -0.348 0.000 0.863 399 T HN 0.541 nan 8.240 nan 0.000 0.428 400 W N 1.033 122.290 121.300 -0.072 0.000 2.409 400 W HA -0.013 4.647 4.660 0.001 0.000 0.299 400 W C 2.886 179.488 176.519 0.139 0.000 1.203 400 W CA 0.453 57.819 57.345 0.035 0.000 1.298 400 W CB -0.341 29.103 29.460 -0.026 0.000 1.127 400 W HN 0.178 nan 8.180 nan 0.000 0.528 401 Q N -0.007 119.945 119.800 0.253 0.000 2.119 401 Q HA -0.131 4.210 4.340 0.001 0.000 0.201 401 Q C 1.908 178.025 176.000 0.194 0.000 0.972 401 Q CA 2.373 58.293 55.803 0.196 0.000 0.847 401 Q CB -0.687 28.115 28.738 0.107 0.000 0.903 401 Q HN 0.091 nan 8.270 nan 0.000 0.433 402 T N -0.575 114.080 114.554 0.168 0.000 2.821 402 T HA -0.136 4.214 4.350 0.001 0.000 0.267 402 T C 0.971 175.865 174.700 0.324 0.000 1.046 402 T CA 1.060 63.319 62.100 0.265 0.000 1.139 402 T CB -0.541 68.485 68.868 0.264 0.000 0.871 402 T HN 0.534 nan 8.240 nan 0.000 0.454 403 W N 2.474 123.834 121.300 0.099 0.000 2.335 403 W HA -0.137 4.524 4.660 0.001 0.000 0.311 403 W C 2.046 178.595 176.519 0.049 0.000 1.213 403 W CA 1.181 58.567 57.345 0.068 0.000 1.274 403 W CB -0.174 29.290 29.460 0.006 0.000 1.148 403 W HN 0.134 nan 8.180 nan 0.000 0.498 404 K N -0.349 120.155 120.400 0.173 0.000 2.057 404 K HA -0.172 4.148 4.320 0.001 0.000 0.206 404 K C 1.606 178.125 176.600 -0.134 0.000 1.050 404 K CA 1.688 57.933 56.287 -0.070 0.000 0.935 404 K CB -0.489 32.082 32.500 0.119 0.000 0.715 404 K HN 0.057 nan 8.250 nan 0.000 0.439 405 D N 0.998 121.376 120.400 -0.037 0.000 2.117 405 D HA -0.151 4.489 4.640 0.001 0.000 0.197 405 D C 1.907 177.945 176.300 -0.435 0.000 0.987 405 D CA 1.394 55.348 54.000 -0.077 0.000 0.829 405 D CB -0.325 40.567 40.800 0.155 0.000 0.961 405 D HN 0.199 nan 8.370 nan 0.000 0.460 406 A N 0.927 123.314 122.820 -0.721 0.000 1.873 406 A HA -0.201 4.119 4.320 0.001 0.000 0.218 406 A C 2.414 179.654 177.584 -0.572 0.000 1.193 406 A CA 1.293 52.661 52.037 -1.116 0.000 0.629 406 A CB -0.880 17.820 19.000 -0.500 0.000 0.826 406 A HN 0.223 nan 8.150 nan 0.000 0.447 407 I N -1.545 118.750 120.570 -0.459 0.000 2.252 407 I HA -0.219 3.951 4.170 0.001 0.000 0.245 407 I C 2.739 178.695 176.117 -0.268 0.000 1.102 407 I CA 1.700 62.770 61.300 -0.384 0.000 1.385 407 I CB -0.237 37.444 38.000 -0.532 0.000 1.064 407 I HN 0.319 nan 8.210 nan 0.000 0.414 408 R N 0.231 120.589 120.500 -0.237 0.000 2.115 408 R HA -0.102 4.238 4.340 0.001 0.000 0.226 408 R C 2.184 178.410 176.300 -0.124 0.000 1.100 408 R CA 1.542 57.551 56.100 -0.152 0.000 0.980 408 R CB -0.102 30.131 30.300 -0.112 0.000 0.875 408 R HN 0.237 nan 8.270 nan 0.000 0.445 409 T N 0.390 114.850 114.554 -0.157 0.000 2.812 409 T HA -0.027 4.324 4.350 0.001 0.000 0.264 409 T C 1.679 176.363 174.700 -0.026 0.000 1.042 409 T CA 1.227 63.287 62.100 -0.066 0.000 1.140 409 T CB -0.023 68.823 68.868 -0.037 0.000 0.870 409 T HN 0.156 nan 8.240 nan 0.000 0.445 410 I N -0.187 120.332 120.570 -0.085 0.000 2.406 410 I HA 0.053 4.224 4.170 0.001 0.000 0.249 410 I C 0.645 176.701 176.117 -0.101 0.000 1.122 410 I CA 0.836 62.085 61.300 -0.085 0.000 1.431 410 I CB 0.267 38.175 38.000 -0.153 0.000 1.087 410 I HN 0.101 nan 8.210 nan 0.000 0.424 411 L N 1.528 122.683 121.223 -0.115 0.000 2.551 411 L HA 0.341 4.682 4.340 0.001 0.000 0.248 411 L C -1.847 174.969 176.870 -0.090 0.000 1.509 411 L CA -1.372 53.406 54.840 -0.103 0.000 0.842 411 L CB 0.585 42.572 42.059 -0.119 0.000 1.087 411 L HN -0.190 nan 8.230 nan 0.000 0.512 412 P HA -0.185 nan 4.420 nan 0.000 0.217 412 P C 1.341 178.607 177.300 -0.056 0.000 1.148 412 P CA 1.622 64.684 63.100 -0.063 0.000 0.828 412 P CB 0.188 31.859 31.700 -0.049 0.000 0.783 413 S N -0.711 114.956 115.700 -0.055 0.000 2.453 413 S HA 0.142 4.612 4.470 0.001 0.000 0.231 413 S C 1.509 176.079 174.600 -0.050 0.000 1.005 413 S CA 0.674 58.845 58.200 -0.048 0.000 0.949 413 S CB -0.583 62.589 63.200 -0.046 0.000 0.774 413 S HN 0.174 nan 8.310 nan 0.000 0.510 414 A N -0.047 122.736 122.820 -0.062 0.000 3.045 414 A HA 0.872 5.193 4.320 0.001 0.000 0.244 414 A C 1.223 178.764 177.584 -0.071 0.000 0.917 414 A CA 0.050 52.051 52.037 -0.060 0.000 1.075 414 A CB -0.235 18.726 19.000 -0.066 0.000 1.202 414 A HN 0.476 nan 8.150 nan 0.000 0.486 415 A N 0.341 123.117 122.820 -0.074 0.000 1.877 415 A HA -0.110 4.211 4.320 0.001 0.000 0.216 415 A C 1.709 179.239 177.584 -0.090 0.000 1.186 415 A CA 1.990 53.967 52.037 -0.099 0.000 0.620 415 A CB -0.277 18.665 19.000 -0.097 0.000 0.822 415 A HN 0.566 nan 8.150 nan 0.000 0.443 416 E N -0.439 119.732 120.200 -0.048 0.000 2.150 416 E HA -0.131 4.219 4.350 0.001 0.000 0.193 416 E C 1.945 178.550 176.600 0.008 0.000 0.985 416 E CA 1.254 57.645 56.400 -0.016 0.000 0.814 416 E CB -0.058 29.648 29.700 0.011 0.000 0.752 416 E HN 0.694 nan 8.360 nan 0.000 0.466 417 E N 0.183 120.382 120.200 -0.002 0.000 2.072 417 E HA -0.157 4.193 4.350 0.001 0.000 0.191 417 E C 1.793 178.403 176.600 0.017 0.000 0.985 417 E CA 0.527 56.939 56.400 0.020 0.000 0.801 417 E CB -0.099 29.598 29.700 -0.006 0.000 0.750 417 E HN 0.115 nan 8.360 nan 0.000 0.452 418 L N 1.180 122.380 121.223 -0.039 0.000 2.093 418 L HA -0.112 4.228 4.340 0.001 0.000 0.208 418 L C 1.875 178.722 176.870 -0.038 0.000 1.085 418 L CA 1.780 56.594 54.840 -0.043 0.000 0.755 418 L CB -0.241 41.752 42.059 -0.110 0.000 0.904 418 L HN 0.071 nan 8.230 nan 0.000 0.435 419 E N -1.125 119.011 120.200 -0.107 0.000 2.058 419 E HA -0.315 4.036 4.350 0.001 0.000 0.194 419 E C 2.339 179.005 176.600 0.111 0.000 0.997 419 E CA 1.687 58.017 56.400 -0.116 0.000 0.801 419 E CB -0.438 29.196 29.700 -0.110 0.000 0.746 419 E HN 0.719 nan 8.360 nan 0.000 0.450 420 C N 0.327 119.707 119.300 0.133 0.000 2.413 420 C HA -0.203 4.258 4.460 0.001 0.000 0.277 420 C C 2.510 177.669 174.990 0.282 0.000 1.228 420 C CA 1.012 60.169 59.018 0.231 0.000 1.731 420 C CB -1.244 26.655 27.740 0.265 0.000 2.042 420 C HN 0.510 nan 8.230 nan 0.000 0.468 421 F N 2.114 122.039 119.950 -0.043 0.000 2.102 421 F HA 0.018 4.546 4.527 0.001 0.000 0.298 421 F C 2.300 178.000 175.800 -0.167 0.000 1.105 421 F CA 1.988 59.733 58.000 -0.425 0.000 1.239 421 F CB -0.808 37.871 39.000 -0.534 0.000 0.991 421 F HN 0.270 nan 8.300 nan 0.000 0.474 422 A N 0.877 123.665 122.820 -0.054 0.000 1.930 422 A HA -0.189 4.131 4.320 0.001 0.000 0.217 422 A C 2.246 179.926 177.584 0.159 0.000 1.175 422 A CA 1.854 53.906 52.037 0.026 0.000 0.627 422 A CB -1.076 18.061 19.000 0.228 0.000 0.815 422 A HN 0.641 nan 8.150 nan 0.000 0.443 423 M N -1.770 117.961 119.600 0.219 0.000 2.460 423 M HA -0.044 4.437 4.480 0.001 0.000 0.263 423 M C 0.846 177.022 176.300 -0.207 0.000 1.071 423 M CA 1.678 56.994 55.300 0.028 0.000 1.096 423 M CB -0.369 32.241 32.600 0.018 0.000 1.408 423 M HN 0.350 nan 8.290 nan 0.000 0.463 424 H N 0.112 119.256 119.070 0.122 0.000 2.542 424 H HA 0.397 4.953 4.556 0.001 0.000 0.283 424 H C -0.405 174.930 175.328 0.013 0.000 1.059 424 H CA -0.100 56.025 56.048 0.127 0.000 1.162 424 H CB -0.010 29.932 29.762 0.300 0.000 1.539 424 H HN 0.507 nan 8.280 nan 0.000 0.543 425 N N 0.442 119.105 118.700 -0.061 0.000 2.752 425 N HA 0.151 4.892 4.740 0.001 0.000 0.260 425 N C -0.119 175.351 175.510 -0.068 0.000 1.562 425 N CA 0.084 53.038 53.050 -0.160 0.000 0.788 425 N CB 1.775 39.917 38.487 -0.575 0.000 1.192 425 N HN -0.003 nan 8.380 nan 0.000 0.503 426 S N -0.474 115.251 115.700 0.042 0.000 2.918 426 S HA 0.045 4.516 4.470 0.001 0.000 0.264 426 S C 0.115 174.785 174.600 0.115 0.000 1.078 426 S CA -0.082 58.170 58.200 0.086 0.000 0.918 426 S CB 0.926 64.167 63.200 0.068 0.000 0.882 426 S HN 0.427 nan 8.310 nan 0.000 0.466 427 D N 0.733 121.200 120.400 0.112 0.000 2.313 427 D HA 0.333 4.974 4.640 0.001 0.000 0.247 427 D C 0.500 176.830 176.300 0.050 0.000 1.094 427 D CA -0.153 53.900 54.000 0.088 0.000 0.925 427 D CB 0.928 41.780 40.800 0.088 0.000 1.188 427 D HN -0.084 nan 8.370 nan 0.000 0.430 428 L N 1.708 122.890 121.223 -0.068 0.000 2.529 428 L HA 0.344 4.685 4.340 0.001 0.000 0.223 428 L C 1.454 177.953 176.870 -0.619 0.000 1.113 428 L CA 0.685 55.333 54.840 -0.320 0.000 0.861 428 L CB -0.917 41.075 42.059 -0.111 0.000 1.012 428 L HN 0.742 nan 8.230 nan 0.000 0.461 429 G N 0.128 108.786 108.800 -0.237 0.000 2.888 429 G HA2 -0.193 3.768 3.960 0.001 0.000 0.441 429 G HA3 -0.193 3.768 3.960 0.001 0.000 0.441 429 G C -2.513 172.363 174.900 -0.040 0.000 1.461 429 G CA -0.819 44.231 45.100 -0.083 0.000 0.897 429 G HN 0.054 nan 8.290 nan 0.000 0.547 430 P HA 0.251 nan 4.420 nan 0.000 0.265 430 P C -0.009 177.321 177.300 0.050 0.000 1.193 430 P CA 0.467 63.592 63.100 0.042 0.000 0.765 430 P CB 0.417 32.145 31.700 0.048 0.000 0.823 431 N N -0.690 118.057 118.700 0.077 0.000 2.823 431 N HA 0.381 5.122 4.740 0.001 0.000 0.251 431 N C 0.917 176.464 175.510 0.061 0.000 1.392 431 N CA -0.983 52.132 53.050 0.107 0.000 0.864 431 N CB -0.051 38.578 38.487 0.236 0.000 1.481 431 N HN 0.168 nan 8.380 nan 0.000 0.508 432 G N -1.277 107.510 108.800 -0.022 0.000 2.509 432 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 432 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 432 G C 0.387 175.158 174.900 -0.216 0.000 1.124 432 G CA 0.675 45.688 45.100 -0.145 0.000 0.776 432 G HN 0.677 nan 8.290 nan 0.000 0.547 433 H N -0.061 118.995 119.070 -0.024 0.000 2.553 433 H HA 0.154 4.710 4.556 0.001 0.000 0.265 433 H C 2.274 177.615 175.328 0.023 0.000 0.964 433 H CA 0.355 56.352 56.048 -0.085 0.000 1.156 433 H CB 0.196 29.775 29.762 -0.305 0.000 1.411 433 H HN 0.374 nan 8.280 nan 0.000 0.558 434 G N 0.947 109.844 108.800 0.162 0.000 2.203 434 G HA2 -0.328 3.633 3.960 0.001 0.000 0.263 434 G HA3 -0.328 3.633 3.960 0.001 0.000 0.263 434 G C -0.138 174.871 174.900 0.183 0.000 1.012 434 G CA 0.563 45.744 45.100 0.136 0.000 0.749 434 G HN 0.509 nan 8.290 nan 0.000 0.512 435 Y N 1.432 121.792 120.300 0.100 0.000 2.320 435 Y HA 0.718 5.268 4.550 0.001 0.000 0.334 435 Y C 0.512 176.460 175.900 0.081 0.000 1.055 435 Y CA -1.088 57.059 58.100 0.079 0.000 1.143 435 Y CB 0.733 39.248 38.460 0.091 0.000 1.193 435 Y HN 0.193 nan 8.280 nan 0.000 0.477 436 R N 4.785 125.056 120.500 -0.382 0.000 2.867 436 R HA 0.604 4.945 4.340 0.001 0.000 0.268 436 R C -1.030 175.043 176.300 -0.379 0.000 1.014 436 R CA -1.167 54.788 56.100 -0.241 0.000 0.946 436 R CB 2.044 32.287 30.300 -0.096 0.000 1.208 436 R HN 0.685 nan 8.270 nan 0.000 0.477 437 R N 0.775 121.189 120.500 -0.142 0.000 2.837 437 R HA 0.355 4.695 4.340 0.001 0.000 0.271 437 R C -0.371 175.966 176.300 0.062 0.000 0.993 437 R CA -0.943 55.135 56.100 -0.036 0.000 0.931 437 R CB 1.645 31.946 30.300 0.001 0.000 1.206 437 R HN 0.601 nan 8.270 nan 0.000 0.474 438 E N 1.483 121.761 120.200 0.130 0.000 2.404 438 E HA 0.055 4.406 4.350 0.001 0.000 0.261 438 E C -0.343 176.300 176.600 0.071 0.000 1.074 438 E CA 0.462 56.904 56.400 0.069 0.000 0.917 438 E CB 0.754 30.464 29.700 0.018 0.000 0.965 438 E HN 0.366 nan 8.360 nan 0.000 0.433 439 E N 0.523 120.768 120.200 0.074 0.000 2.354 439 E HA 0.120 4.470 4.350 0.001 0.000 0.283 439 E C -1.118 175.550 176.600 0.113 0.000 0.938 439 E CA -0.416 56.039 56.400 0.091 0.000 0.777 439 E CB 1.122 30.890 29.700 0.113 0.000 1.222 439 E HN 0.428 nan 8.360 nan 0.000 0.423 440 S N 3.227 119.003 115.700 0.128 0.000 3.521 440 S HA -0.200 4.271 4.470 0.001 0.000 0.328 440 S C 1.116 175.785 174.600 0.114 0.000 1.165 440 S CA 1.038 59.368 58.200 0.218 0.000 0.941 440 S CB -0.882 62.528 63.200 0.349 0.000 0.951 440 S HN 0.646 nan 8.310 nan 0.000 0.539 441 M N 0.692 120.320 119.600 0.047 0.000 2.159 441 M HA -0.097 4.383 4.480 0.001 0.000 0.263 441 M C 1.830 178.123 176.300 -0.011 0.000 1.063 441 M CA 1.578 56.884 55.300 0.010 0.000 1.110 441 M CB -1.048 31.540 32.600 -0.020 0.000 1.374 441 M HN 0.273 nan 8.290 nan 0.000 0.411 442 D N 0.863 121.246 120.400 -0.028 0.000 2.092 442 D HA -0.125 4.515 4.640 0.001 0.000 0.193 442 D C 1.872 178.177 176.300 0.008 0.000 0.994 442 D CA 1.428 55.408 54.000 -0.033 0.000 0.828 442 D CB -0.358 40.420 40.800 -0.038 0.000 0.963 442 D HN 0.593 nan 8.370 nan 0.000 0.450 443 I N -1.316 119.283 120.570 0.048 0.000 3.291 443 I HA -0.019 4.151 4.170 0.001 0.000 0.279 443 I C 2.049 178.180 176.117 0.024 0.000 1.294 443 I CA 0.527 61.846 61.300 0.031 0.000 1.428 443 I CB -0.092 37.922 38.000 0.023 0.000 1.070 443 I HN -0.166 nan 8.210 nan 0.000 0.478 444 Q N 1.956 121.779 119.800 0.037 0.000 2.124 444 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 444 Q C -0.342 175.685 176.000 0.045 0.000 0.977 444 Q CA 2.131 57.959 55.803 0.043 0.000 0.850 444 Q CB -0.949 27.815 28.738 0.043 0.000 0.901 444 Q HN 0.443 nan 8.270 nan 0.000 0.429 445 P HA -0.051 nan 4.420 nan 0.000 0.216 445 P C 0.952 178.294 177.300 0.069 0.000 1.153 445 P CA 1.893 65.022 63.100 0.048 0.000 0.844 445 P CB -0.347 31.372 31.700 0.033 0.000 0.787 446 A N 0.263 123.117 122.820 0.058 0.000 1.908 446 A HA -0.164 4.156 4.320 0.001 0.000 0.218 446 A C 2.347 179.997 177.584 0.110 0.000 1.181 446 A CA 2.347 54.430 52.037 0.077 0.000 0.627 446 A CB -1.648 17.368 19.000 0.027 0.000 0.818 446 A HN 0.202 nan 8.150 nan 0.000 0.445 447 A N -0.579 122.282 122.820 0.068 0.000 1.858 447 A HA -0.158 4.163 4.320 0.001 0.000 0.216 447 A C 1.973 179.659 177.584 0.170 0.000 1.190 447 A CA 2.053 54.145 52.037 0.092 0.000 0.617 447 A CB -0.558 18.470 19.000 0.047 0.000 0.827 447 A HN 0.514 nan 8.150 nan 0.000 0.443 448 E N -0.382 119.895 120.200 0.129 0.000 2.077 448 E HA -0.138 4.213 4.350 0.001 0.000 0.193 448 E C 2.303 178.996 176.600 0.155 0.000 0.989 448 E CA 1.258 57.734 56.400 0.127 0.000 0.800 448 E CB -0.108 29.647 29.700 0.092 0.000 0.746 448 E HN 0.551 nan 8.360 nan 0.000 0.452 449 R N -0.875 119.725 120.500 0.167 0.000 2.066 449 R HA -0.111 4.230 4.340 0.001 0.000 0.232 449 R C 2.327 178.779 176.300 0.254 0.000 1.131 449 R CA 1.354 57.563 56.100 0.182 0.000 0.955 449 R CB -0.537 29.863 30.300 0.167 0.000 0.851 449 R HN 0.244 nan 8.270 nan 0.000 0.432 450 F N 1.418 121.467 119.950 0.164 0.000 2.069 450 F HA -0.256 4.271 4.527 0.001 0.000 0.298 450 F C 2.019 178.011 175.800 0.320 0.000 1.113 450 F CA 1.378 59.517 58.000 0.231 0.000 1.214 450 F CB -0.289 38.778 39.000 0.113 0.000 0.978 450 F HN -0.069 nan 8.300 nan 0.000 0.474 451 L N 1.046 122.461 121.223 0.319 0.000 2.056 451 L HA -0.172 4.169 4.340 0.001 0.000 0.207 451 L C 2.468 179.452 176.870 0.191 0.000 1.078 451 L CA 1.822 56.788 54.840 0.210 0.000 0.749 451 L CB -1.085 41.099 42.059 0.208 0.000 0.901 451 L HN 0.198 nan 8.230 nan 0.000 0.433 452 K N -0.870 119.631 120.400 0.169 0.000 2.148 452 K HA -0.110 4.210 4.320 0.001 0.000 0.204 452 K C 1.928 178.603 176.600 0.126 0.000 1.050 452 K CA 1.050 57.418 56.287 0.135 0.000 0.942 452 K CB -0.005 32.562 32.500 0.111 0.000 0.724 452 K HN 0.345 nan 8.250 nan 0.000 0.446 453 A N 0.580 123.475 122.820 0.124 0.000 1.940 453 A HA -0.142 4.179 4.320 0.001 0.000 0.219 453 A C 1.852 179.450 177.584 0.023 0.000 1.176 453 A CA 1.202 53.275 52.037 0.060 0.000 0.631 453 A CB -0.641 18.393 19.000 0.056 0.000 0.814 453 A HN 0.323 nan 8.150 nan 0.000 0.446 454 F N 0.388 120.336 119.950 -0.005 0.000 2.128 454 F HA -0.089 4.439 4.527 0.001 0.000 0.295 454 F C 2.304 178.186 175.800 0.137 0.000 1.100 454 F CA 1.898 59.947 58.000 0.082 0.000 1.260 454 F CB -0.133 38.879 39.000 0.021 0.000 1.009 454 F HN 0.321 nan 8.300 nan 0.000 0.476 455 K N 0.396 120.958 120.400 0.269 0.000 2.504 455 K HA -0.090 4.231 4.320 0.001 0.000 0.195 455 K C 1.138 177.816 176.600 0.130 0.000 1.036 455 K CA 1.614 58.012 56.287 0.186 0.000 0.984 455 K CB -0.268 32.315 32.500 0.139 0.000 0.788 455 K HN 0.306 nan 8.250 nan 0.000 0.488 456 E N -1.002 119.258 120.200 0.100 0.000 2.399 456 E HA 0.167 4.518 4.350 0.001 0.000 0.205 456 E C 0.493 177.101 176.600 0.013 0.000 0.906 456 E CA 0.359 56.790 56.400 0.051 0.000 0.998 456 E CB 0.990 30.713 29.700 0.038 0.000 1.002 456 E HN 0.485 nan 8.360 nan 0.000 0.501 457 G N 1.537 110.329 108.800 -0.013 0.000 2.276 457 G HA2 -0.142 3.818 3.960 0.001 0.000 0.177 457 G HA3 -0.142 3.818 3.960 0.001 0.000 0.177 457 G C 0.052 174.852 174.900 -0.167 0.000 1.017 457 G CA -0.134 44.911 45.100 -0.091 0.000 0.750 457 G HN 0.030 nan 8.290 nan 0.000 0.506 458 K N -1.691 118.597 120.400 -0.187 0.000 1.312 458 K HA -0.202 4.119 4.320 0.001 0.000 0.723 458 K C 0.031 176.535 176.600 -0.160 0.000 1.921 458 K CA 0.969 57.113 56.287 -0.239 0.000 1.159 458 K CB -1.025 31.242 32.500 -0.389 0.000 2.100 458 K HN 0.314 nan 8.250 nan 0.000 0.497 459 N N 0.815 119.409 118.700 -0.178 0.000 2.399 459 N HA 0.202 4.943 4.740 0.001 0.000 0.250 459 N C -0.587 174.828 175.510 -0.158 0.000 1.272 459 N CA 0.078 52.967 53.050 -0.268 0.000 0.928 459 N CB 0.055 38.363 38.487 -0.299 0.000 1.158 459 N HN 0.371 nan 8.380 nan 0.000 0.463 460 Y N -1.825 118.438 120.300 -0.063 0.000 2.354 460 Y HA 0.444 4.995 4.550 0.001 0.000 0.322 460 Y C 0.275 176.249 175.900 0.124 0.000 1.253 460 Y CA -1.452 56.685 58.100 0.063 0.000 1.272 460 Y CB 0.314 38.866 38.460 0.153 0.000 1.255 460 Y HN 0.320 nan 8.280 nan 0.000 0.500 461 D N 2.042 122.662 120.400 0.367 0.000 2.390 461 D HA 0.008 4.649 4.640 0.001 0.000 0.249 461 D C 0.986 177.540 176.300 0.423 0.000 1.144 461 D CA -0.106 54.058 54.000 0.274 0.000 0.880 461 D CB 1.199 42.118 40.800 0.198 0.000 1.182 461 D HN 0.724 nan 8.370 nan 0.000 0.451 462 K N 3.188 123.757 120.400 0.281 0.000 2.218 462 K HA -0.195 4.125 4.320 0.001 0.000 0.205 462 K C 1.385 178.156 176.600 0.285 0.000 1.046 462 K CA 1.196 57.659 56.287 0.294 0.000 0.933 462 K CB -0.119 32.466 32.500 0.141 0.000 0.728 462 K HN 0.529 nan 8.250 nan 0.000 0.454 463 A N 1.200 124.145 122.820 0.207 0.000 1.929 463 A HA -0.134 4.187 4.320 0.001 0.000 0.216 463 A C 1.650 179.321 177.584 0.145 0.000 1.176 463 A CA 1.590 53.713 52.037 0.142 0.000 0.628 463 A CB -0.248 18.807 19.000 0.091 0.000 0.816 463 A HN 0.302 nan 8.150 nan 0.000 0.444 464 D N -0.850 119.673 120.400 0.205 0.000 2.084 464 D HA -0.116 4.525 4.640 0.001 0.000 0.196 464 D C 1.626 177.982 176.300 0.093 0.000 0.985 464 D CA 1.132 55.235 54.000 0.172 0.000 0.826 464 D CB -0.587 40.382 40.800 0.281 0.000 0.978 464 D HN 0.437 nan 8.370 nan 0.000 0.456 465 F N 1.940 121.940 119.950 0.083 0.000 2.087 465 F HA -0.238 4.290 4.527 0.001 0.000 0.299 465 F C 2.157 177.899 175.800 -0.097 0.000 1.100 465 F CA 1.732 59.675 58.000 -0.095 0.000 1.226 465 F CB 0.048 39.126 39.000 0.131 0.000 0.983 465 F HN -0.058 nan 8.300 nan 0.000 0.479 466 E N -0.923 119.413 120.200 0.225 0.000 2.150 466 E HA -0.159 4.191 4.350 0.001 0.000 0.193 466 E C 2.127 178.714 176.600 -0.022 0.000 0.985 466 E CA 1.516 57.986 56.400 0.117 0.000 0.814 466 E CB -0.299 29.501 29.700 0.166 0.000 0.752 466 E HN 0.390 nan 8.360 nan 0.000 0.466 467 T N 1.731 116.255 114.554 -0.049 0.000 2.684 467 T HA -0.146 4.204 4.350 0.001 0.000 0.267 467 T C 1.944 176.523 174.700 -0.202 0.000 1.036 467 T CA 0.922 62.980 62.100 -0.070 0.000 1.148 467 T CB -0.188 68.643 68.868 -0.063 0.000 0.863 467 T HN 0.096 nan 8.240 nan 0.000 0.436 468 L N 0.561 121.530 121.223 -0.423 0.000 2.017 468 L HA -0.151 4.190 4.340 0.001 0.000 0.208 468 L C 2.884 179.120 176.870 -1.056 0.000 1.073 468 L CA 1.495 55.837 54.840 -0.829 0.000 0.745 468 L CB -0.615 40.908 42.059 -0.893 0.000 0.894 468 L HN 0.307 nan 8.230 nan 0.000 0.432 469 Q N -0.507 118.909 119.800 -0.640 0.000 2.061 469 Q HA -0.290 4.051 4.340 0.001 0.000 0.204 469 Q C 2.265 178.147 176.000 -0.197 0.000 0.984 469 Q CA 2.154 57.744 55.803 -0.355 0.000 0.846 469 Q CB -0.319 28.298 28.738 -0.202 0.000 0.902 469 Q HN 0.484 nan 8.270 nan 0.000 0.421 470 Y N 0.652 120.812 120.300 -0.234 0.000 2.165 470 Y HA -0.235 4.316 4.550 0.001 0.000 0.286 470 Y C 2.123 177.930 175.900 -0.156 0.000 1.155 470 Y CA 2.124 60.139 58.100 -0.141 0.000 1.164 470 Y CB -0.552 37.847 38.460 -0.101 0.000 0.978 470 Y HN 0.085 nan 8.280 nan 0.000 0.513 471 T N 0.878 115.194 114.554 -0.396 0.000 2.746 471 T HA -0.163 4.187 4.350 0.001 0.000 0.267 471 T C 1.491 175.993 174.700 -0.330 0.000 1.039 471 T CA 1.746 63.585 62.100 -0.435 0.000 1.142 471 T CB -0.556 68.049 68.868 -0.438 0.000 0.866 471 T HN 0.267 nan 8.240 nan 0.000 0.444 472 F N 1.432 121.219 119.950 -0.272 0.000 2.186 472 F HA 0.097 4.624 4.527 0.001 0.000 0.299 472 F C 2.459 178.116 175.800 -0.237 0.000 1.090 472 F CA 0.155 57.987 58.000 -0.279 0.000 1.307 472 F CB -0.960 37.882 39.000 -0.264 0.000 1.019 472 F HN 0.255 nan 8.300 nan 0.000 0.489 473 E N 0.367 120.537 120.200 -0.050 0.000 2.051 473 E HA -0.271 4.080 4.350 0.001 0.000 0.192 473 E C 2.415 178.946 176.600 -0.115 0.000 0.991 473 E CA 1.258 57.613 56.400 -0.076 0.000 0.799 473 E CB -0.007 29.649 29.700 -0.074 0.000 0.748 473 E HN 0.074 nan 8.360 nan 0.000 0.449 474 R N 0.118 120.478 120.500 -0.234 0.000 2.092 474 R HA -0.024 4.316 4.340 0.001 0.000 0.231 474 R C 2.262 178.555 176.300 -0.012 0.000 1.119 474 R CA 1.551 57.540 56.100 -0.185 0.000 0.970 474 R CB -0.250 29.821 30.300 -0.380 0.000 0.864 474 R HN 0.278 nan 8.270 nan 0.000 0.440 475 M N 0.088 119.676 119.600 -0.019 0.000 2.080 475 M HA -0.206 4.275 4.480 0.001 0.000 0.260 475 M C 1.988 178.330 176.300 0.070 0.000 1.068 475 M CA 1.926 57.240 55.300 0.024 0.000 1.109 475 M CB -0.207 32.158 32.600 -0.390 0.000 1.342 475 M HN 0.040 nan 8.290 nan 0.000 0.405 476 K N 0.012 120.399 120.400 -0.023 0.000 2.057 476 K HA -0.171 4.149 4.320 0.001 0.000 0.207 476 K C 1.847 178.473 176.600 0.044 0.000 1.049 476 K CA 1.485 57.774 56.287 0.004 0.000 0.931 476 K CB -0.244 32.240 32.500 -0.027 0.000 0.714 476 K HN 0.438 nan 8.250 nan 0.000 0.440 477 E N 0.561 120.781 120.200 0.033 0.000 2.038 477 E HA -0.156 4.195 4.350 0.001 0.000 0.195 477 E C 2.187 178.819 176.600 0.053 0.000 1.000 477 E CA 1.571 57.990 56.400 0.031 0.000 0.803 477 E CB 0.017 29.725 29.700 0.014 0.000 0.750 477 E HN 0.166 nan 8.360 nan 0.000 0.448 478 S N 0.798 116.561 115.700 0.105 0.000 2.356 478 S HA -0.202 4.269 4.470 0.001 0.000 0.223 478 S C 2.157 176.803 174.600 0.076 0.000 1.032 478 S CA 0.975 59.244 58.200 0.115 0.000 1.005 478 S CB -0.360 62.973 63.200 0.222 0.000 0.867 478 S HN 0.405 nan 8.310 nan 0.000 0.449 479 A N 2.453 125.385 122.820 0.186 0.000 1.873 479 A HA -0.234 4.087 4.320 0.001 0.000 0.218 479 A C 1.876 179.455 177.584 -0.008 0.000 1.193 479 A CA 2.003 54.099 52.037 0.097 0.000 0.629 479 A CB -0.850 18.297 19.000 0.246 0.000 0.826 479 A HN 0.411 nan 8.150 nan 0.000 0.447 480 D N -0.325 120.087 120.400 0.019 0.000 2.123 480 D HA -0.064 4.576 4.640 0.001 0.000 0.200 480 D C 1.927 178.211 176.300 -0.026 0.000 0.976 480 D CA 1.152 55.151 54.000 -0.002 0.000 0.831 480 D CB -0.322 40.485 40.800 0.011 0.000 0.974 480 D HN 0.533 nan 8.370 nan 0.000 0.469 481 I N 0.801 121.356 120.570 -0.024 0.000 2.226 481 I HA -0.232 3.939 4.170 0.001 0.000 0.245 481 I C 2.429 178.502 176.117 -0.073 0.000 1.100 481 I CA 0.678 61.955 61.300 -0.039 0.000 1.374 481 I CB -0.123 37.862 38.000 -0.026 0.000 1.057 481 I HN -0.046 nan 8.210 nan 0.000 0.413 482 L N -0.003 121.155 121.223 -0.108 0.000 2.056 482 L HA -0.206 4.134 4.340 0.001 0.000 0.207 482 L C 2.529 179.297 176.870 -0.171 0.000 1.078 482 L CA 1.243 55.980 54.840 -0.172 0.000 0.749 482 L CB -0.546 41.341 42.059 -0.287 0.000 0.901 482 L HN 0.244 nan 8.230 nan 0.000 0.433 483 L N -0.939 120.188 121.223 -0.161 0.000 2.081 483 L HA -0.243 4.098 4.340 0.001 0.000 0.212 483 L C 2.325 179.139 176.870 -0.093 0.000 1.080 483 L CA 1.135 55.889 54.840 -0.143 0.000 0.754 483 L CB -0.323 41.673 42.059 -0.105 0.000 0.893 483 L HN 0.365 nan 8.230 nan 0.000 0.433 484 M N -1.135 118.421 119.600 -0.072 0.000 2.495 484 M HA 0.063 4.544 4.480 0.001 0.000 0.237 484 M C 0.610 176.876 176.300 -0.057 0.000 1.131 484 M CA 0.129 55.398 55.300 -0.052 0.000 1.032 484 M CB -1.040 31.538 32.600 -0.036 0.000 1.513 484 M HN 0.165 nan 8.290 nan 0.000 0.488 485 N N 1.931 120.587 118.700 -0.074 0.000 2.475 485 N HA -0.003 4.737 4.740 0.001 0.000 0.267 485 N C 0.611 176.080 175.510 -0.069 0.000 1.169 485 N CA 0.762 53.768 53.050 -0.073 0.000 0.947 485 N CB 1.158 39.591 38.487 -0.091 0.000 1.061 485 N HN 0.235 nan 8.380 nan 0.000 0.466 486 T N -0.274 114.245 114.554 -0.058 0.000 3.044 486 T HA 0.076 4.427 4.350 0.001 0.000 0.260 486 T C 1.169 175.837 174.700 -0.054 0.000 1.019 486 T CA -0.171 61.898 62.100 -0.052 0.000 0.921 486 T CB 0.150 68.994 68.868 -0.040 0.000 1.053 486 T HN 0.648 nan 8.240 nan 0.000 0.533 487 E N 1.738 121.903 120.200 -0.059 0.000 2.158 487 E HA -0.050 4.300 4.350 0.001 0.000 0.191 487 E C 0.493 177.052 176.600 -0.068 0.000 0.982 487 E CA 0.491 56.856 56.400 -0.058 0.000 0.823 487 E CB 0.184 29.849 29.700 -0.057 0.000 0.766 487 E HN 0.355 nan 8.360 nan 0.000 0.468 488 N N 0.353 119.004 118.700 -0.083 0.000 2.762 488 N HA 0.107 4.847 4.740 0.001 0.000 0.252 488 N C -0.362 175.090 175.510 -0.098 0.000 1.269 488 N CA -0.138 52.854 53.050 -0.097 0.000 0.799 488 N CB 0.921 39.338 38.487 -0.118 0.000 1.173 488 N HN 0.009 nan 8.380 nan 0.000 0.516 489 K N 1.077 121.428 120.400 -0.082 0.000 2.026 489 K HA -0.043 4.278 4.320 0.001 0.000 0.208 489 K C -0.991 175.560 176.600 -0.081 0.000 1.048 489 K CA 1.407 57.649 56.287 -0.075 0.000 0.929 489 K CB -0.402 32.064 32.500 -0.057 0.000 0.713 489 K HN 0.346 nan 8.250 nan 0.000 0.439 490 P HA -0.197 nan 4.420 nan 0.000 0.216 490 P C 1.290 178.527 177.300 -0.106 0.000 1.150 490 P CA 0.946 63.991 63.100 -0.091 0.000 0.843 490 P CB 0.087 31.720 31.700 -0.113 0.000 0.787 491 L N -1.099 120.046 121.223 -0.130 0.000 2.056 491 L HA -0.124 4.216 4.340 0.001 0.000 0.207 491 L C 2.000 178.788 176.870 -0.136 0.000 1.078 491 L CA 1.940 56.694 54.840 -0.144 0.000 0.749 491 L CB -1.193 40.769 42.059 -0.161 0.000 0.901 491 L HN -0.158 nan 8.230 nan 0.000 0.433 492 I N -0.773 119.717 120.570 -0.133 0.000 2.226 492 I HA -0.218 3.953 4.170 0.001 0.000 0.245 492 I C 2.610 178.655 176.117 -0.119 0.000 1.100 492 I CA 1.208 62.420 61.300 -0.147 0.000 1.374 492 I CB -1.424 36.494 38.000 -0.136 0.000 1.057 492 I HN 0.114 nan 8.210 nan 0.000 0.413 493 V N 0.942 120.808 119.914 -0.080 0.000 2.282 493 V HA -0.291 3.830 4.120 0.001 0.000 0.249 493 V C 2.486 178.572 176.094 -0.013 0.000 1.057 493 V CA 1.830 64.105 62.300 -0.041 0.000 1.032 493 V CB -0.749 31.061 31.823 -0.022 0.000 0.645 493 V HN 0.427 nan 8.190 nan 0.000 0.447 494 E N 0.122 120.305 120.200 -0.028 0.000 2.058 494 E HA -0.214 4.137 4.350 0.001 0.000 0.194 494 E C 2.057 178.633 176.600 -0.040 0.000 0.997 494 E CA 1.979 58.368 56.400 -0.018 0.000 0.801 494 E CB -0.212 29.449 29.700 -0.066 0.000 0.746 494 E HN 0.834 nan 8.360 nan 0.000 0.450 495 I N -2.258 118.266 120.570 -0.077 0.000 3.603 495 I HA 0.060 4.231 4.170 0.001 0.000 0.297 495 I C 1.880 178.023 176.117 0.043 0.000 1.269 495 I CA 0.340 61.624 61.300 -0.025 0.000 1.361 495 I CB 0.019 37.931 38.000 -0.146 0.000 1.063 495 I HN -0.140 nan 8.210 nan 0.000 0.448 496 T N 2.803 117.318 114.554 -0.065 0.000 2.685 496 T HA -0.080 4.271 4.350 0.001 0.000 0.268 496 T C -0.383 174.186 174.700 -0.218 0.000 1.034 496 T CA 2.393 64.362 62.100 -0.219 0.000 1.149 496 T CB -1.061 67.694 68.868 -0.189 0.000 0.860 496 T HN 0.372 nan 8.240 nan 0.000 0.449 497 P HA -0.073 nan 4.420 nan 0.000 0.216 497 P C 1.353 178.591 177.300 -0.103 0.000 1.153 497 P CA 0.968 64.015 63.100 -0.088 0.000 0.848 497 P CB -0.182 31.330 31.700 -0.314 0.000 0.787 498 W N -0.562 120.737 121.300 -0.003 0.000 2.381 498 W HA -0.095 4.566 4.660 0.001 0.000 0.301 498 W C 2.017 178.642 176.519 0.176 0.000 1.205 498 W CA 0.721 58.138 57.345 0.120 0.000 1.285 498 W CB -1.085 28.506 29.460 0.217 0.000 1.133 498 W HN -0.200 nan 8.180 nan 0.000 0.521 499 V N 0.069 120.047 119.914 0.106 0.000 2.332 499 V HA -0.336 3.784 4.120 0.001 0.000 0.248 499 V C 2.267 178.397 176.094 0.059 0.000 1.055 499 V CA 1.962 64.173 62.300 -0.148 0.000 1.038 499 V CB -1.160 30.358 31.823 -0.508 0.000 0.651 499 V HN 0.154 nan 8.190 nan 0.000 0.450 500 H N -0.354 118.744 119.070 0.046 0.000 2.319 500 H HA -0.199 4.357 4.556 0.001 0.000 0.299 500 H C 2.386 177.740 175.328 0.043 0.000 1.092 500 H CA 2.197 58.257 56.048 0.021 0.000 1.302 500 H CB -0.310 29.433 29.762 -0.032 0.000 1.373 500 H HN 0.400 nan 8.280 nan 0.000 0.497 501 Q N 0.076 119.984 119.800 0.180 0.000 2.124 501 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 501 Q C 2.188 178.287 176.000 0.165 0.000 0.977 501 Q CA 1.012 56.877 55.803 0.103 0.000 0.850 501 Q CB -0.488 28.267 28.738 0.027 0.000 0.901 501 Q HN 0.376 nan 8.270 nan 0.000 0.429 502 F N 0.579 120.605 119.950 0.126 0.000 2.146 502 F HA -0.085 4.443 4.527 0.001 0.000 0.298 502 F C 2.063 177.902 175.800 0.065 0.000 1.096 502 F CA 1.722 59.815 58.000 0.156 0.000 1.275 502 F CB -0.148 39.081 39.000 0.383 0.000 1.008 502 F HN 0.014 nan 8.300 nan 0.000 0.480 503 K N 0.472 120.967 120.400 0.159 0.000 2.026 503 K HA -0.175 4.145 4.320 0.001 0.000 0.208 503 K C 2.130 178.666 176.600 -0.106 0.000 1.048 503 K CA 1.872 58.157 56.287 -0.004 0.000 0.929 503 K CB -0.395 32.149 32.500 0.074 0.000 0.713 503 K HN 0.386 nan 8.250 nan 0.000 0.439 504 L N 0.576 121.757 121.223 -0.071 0.000 2.012 504 L HA -0.217 4.123 4.340 0.001 0.000 0.210 504 L C 2.474 179.205 176.870 -0.231 0.000 1.073 504 L CA 1.798 56.556 54.840 -0.138 0.000 0.748 504 L CB -0.765 41.234 42.059 -0.101 0.000 0.891 504 L HN 0.310 nan 8.230 nan 0.000 0.431 505 T N -0.105 114.312 114.554 -0.229 0.000 2.665 505 T HA -0.263 4.088 4.350 0.001 0.000 0.268 505 T C 1.996 176.397 174.700 -0.498 0.000 1.035 505 T CA 1.532 63.441 62.100 -0.319 0.000 1.151 505 T CB -0.374 68.344 68.868 -0.251 0.000 0.862 505 T HN 0.482 nan 8.240 nan 0.000 0.438 506 A N 1.653 124.181 122.820 -0.487 0.000 1.865 506 A HA -0.176 4.145 4.320 0.001 0.000 0.217 506 A C 2.227 179.500 177.584 -0.517 0.000 1.191 506 A CA 1.845 53.566 52.037 -0.527 0.000 0.623 506 A CB -0.650 18.140 19.000 -0.349 0.000 0.826 506 A HN 0.615 nan 8.150 nan 0.000 0.444 507 E N -0.979 119.003 120.200 -0.364 0.000 2.077 507 E HA -0.220 4.130 4.350 0.001 0.000 0.193 507 E C 2.069 178.406 176.600 -0.439 0.000 0.989 507 E CA 1.347 57.547 56.400 -0.335 0.000 0.800 507 E CB -0.290 29.250 29.700 -0.267 0.000 0.746 507 E HN 0.719 nan 8.360 nan 0.000 0.452 508 M N 0.670 119.989 119.600 -0.468 0.000 2.080 508 M HA -0.138 4.342 4.480 0.001 0.000 0.260 508 M C 2.283 178.259 176.300 -0.540 0.000 1.068 508 M CA 2.071 57.083 55.300 -0.481 0.000 1.109 508 M CB -0.370 31.967 32.600 -0.437 0.000 1.342 508 M HN 0.183 nan 8.290 nan 0.000 0.405 509 G N 0.078 108.381 108.800 -0.827 0.000 2.476 509 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 509 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 509 G C 1.223 175.728 174.900 -0.659 0.000 1.164 509 G CA 1.292 45.661 45.100 -1.218 0.000 0.768 509 G HN 0.624 nan 8.290 nan 0.000 0.560 510 E N 0.180 120.077 120.200 -0.504 0.000 2.085 510 E HA -0.137 4.214 4.350 0.001 0.000 0.194 510 E C 2.530 179.061 176.600 -0.116 0.000 0.994 510 E CA 1.098 57.413 56.400 -0.141 0.000 0.801 510 E CB -0.053 29.587 29.700 -0.100 0.000 0.743 510 E HN 0.358 nan 8.360 nan 0.000 0.453 511 E N 0.377 120.450 120.200 -0.211 0.000 2.106 511 E HA -0.111 4.239 4.350 0.001 0.000 0.192 511 E C 2.304 178.839 176.600 -0.109 0.000 0.984 511 E CA 0.561 56.854 56.400 -0.178 0.000 0.806 511 E CB -0.151 29.362 29.700 -0.312 0.000 0.750 511 E HN 0.134 nan 8.360 nan 0.000 0.458 512 V N 1.487 121.330 119.914 -0.117 0.000 2.427 512 V HA -0.202 3.919 4.120 0.001 0.000 0.248 512 V C 2.448 178.582 176.094 0.066 0.000 1.051 512 V CA 1.165 63.460 62.300 -0.008 0.000 1.048 512 V CB -0.470 31.344 31.823 -0.014 0.000 0.666 512 V HN 0.190 nan 8.190 nan 0.000 0.456 513 L N -0.591 120.657 121.223 0.041 0.000 2.141 513 L HA -0.148 4.192 4.340 0.001 0.000 0.209 513 L C 2.491 179.588 176.870 0.379 0.000 1.094 513 L CA 1.462 56.389 54.840 0.145 0.000 0.763 513 L CB -0.571 41.378 42.059 -0.184 0.000 0.908 513 L HN 0.260 nan 8.230 nan 0.000 0.437 514 K N -0.277 120.282 120.400 0.265 0.000 2.209 514 K HA -0.112 4.209 4.320 0.001 0.000 0.204 514 K C 2.104 178.908 176.600 0.340 0.000 1.048 514 K CA 1.239 57.731 56.287 0.342 0.000 0.940 514 K CB -0.065 32.598 32.500 0.273 0.000 0.729 514 K HN 0.270 nan 8.250 nan 0.000 0.451 515 M N -0.097 119.620 119.600 0.195 0.000 2.200 515 M HA -0.131 4.349 4.480 0.001 0.000 0.265 515 M C 2.040 178.619 176.300 0.466 0.000 1.066 515 M CA 1.044 56.450 55.300 0.176 0.000 1.127 515 M CB 0.030 32.550 32.600 -0.132 0.000 1.379 515 M HN -0.077 nan 8.290 nan 0.000 0.420 516 V N 0.506 120.699 119.914 0.464 0.000 2.295 516 V HA -0.262 3.858 4.120 0.001 0.000 0.246 516 V C 2.126 178.561 176.094 0.568 0.000 1.049 516 V CA 1.916 64.575 62.300 0.599 0.000 1.024 516 V CB -0.657 31.590 31.823 0.706 0.000 0.648 516 V HN 0.470 nan 8.190 nan 0.000 0.447 517 E N 0.141 120.641 120.200 0.500 0.000 2.047 517 E HA -0.022 4.329 4.350 0.001 0.000 0.191 517 E C 1.450 178.259 176.600 0.348 0.000 0.987 517 E CA 0.661 57.271 56.400 0.350 0.000 0.799 517 E CB -0.357 29.510 29.700 0.277 0.000 0.752 517 E HN 0.656 nan 8.360 nan 0.000 0.449 518 G N 2.666 111.734 108.800 0.447 0.000 2.247 518 G HA2 -0.320 3.640 3.960 0.001 0.000 0.260 518 G HA3 -0.320 3.640 3.960 0.001 0.000 0.260 518 G C 0.605 175.739 174.900 0.391 0.000 0.852 518 G CA 0.914 46.332 45.100 0.529 0.000 1.281 518 G HN 0.309 nan 8.290 nan 0.000 0.378 519 R N 0.908 121.583 120.500 0.291 0.000 2.115 519 R HA -0.055 4.285 4.340 0.001 0.000 0.230 519 R C 0.959 177.371 176.300 0.187 0.000 1.111 519 R CA 1.483 57.671 56.100 0.147 0.000 0.976 519 R CB -0.229 30.051 30.300 -0.033 0.000 0.870 519 R HN 0.826 nan 8.270 nan 0.000 0.445 520 N N -1.354 117.508 118.700 0.270 0.000 3.308 520 N HA -0.003 4.738 4.740 0.001 0.000 0.276 520 N C -0.174 175.491 175.510 0.259 0.000 1.533 520 N CA -0.798 52.402 53.050 0.249 0.000 0.878 520 N CB 0.903 39.497 38.487 0.177 0.000 1.566 520 N HN -0.099 nan 8.380 nan 0.000 0.546 521 E N -0.383 119.894 120.200 0.128 0.000 2.046 521 E HA -0.152 4.198 4.350 0.001 0.000 0.190 521 E C 1.156 177.830 176.600 0.122 0.000 0.982 521 E CA 1.842 58.220 56.400 -0.038 0.000 0.800 521 E CB -0.023 29.505 29.700 -0.287 0.000 0.756 521 E HN 0.621 nan 8.360 nan 0.000 0.449 522 S N -0.685 115.096 115.700 0.134 0.000 2.436 522 S HA -0.136 4.335 4.470 0.001 0.000 0.228 522 S C 1.950 176.648 174.600 0.162 0.000 1.014 522 S CA 0.436 58.712 58.200 0.126 0.000 0.950 522 S CB -0.484 62.779 63.200 0.105 0.000 0.784 522 S HN 0.424 nan 8.310 nan 0.000 0.504 523 Y N 1.737 122.100 120.300 0.106 0.000 2.145 523 Y HA -0.032 4.519 4.550 0.001 0.000 0.286 523 Y C 1.987 177.955 175.900 0.112 0.000 1.145 523 Y CA 1.314 59.478 58.100 0.106 0.000 1.148 523 Y CB -0.772 37.763 38.460 0.124 0.000 0.981 523 Y HN 0.305 nan 8.280 nan 0.000 0.507 524 F N 0.143 120.123 119.950 0.049 0.000 2.095 524 F HA -0.285 4.243 4.527 0.001 0.000 0.298 524 F C 1.897 177.556 175.800 -0.236 0.000 1.104 524 F CA 1.918 59.851 58.000 -0.112 0.000 1.232 524 F CB -0.460 38.460 39.000 -0.133 0.000 0.987 524 F HN 0.037 nan 8.300 nan 0.000 0.475 525 L N -0.289 120.928 121.223 -0.010 0.000 2.141 525 L HA -0.159 4.181 4.340 0.001 0.000 0.209 525 L C 2.587 179.428 176.870 -0.048 0.000 1.094 525 L CA 1.098 55.908 54.840 -0.049 0.000 0.763 525 L CB -0.613 41.448 42.059 0.005 0.000 0.908 525 L HN 0.037 nan 8.230 nan 0.000 0.437 526 R N -0.127 120.307 120.500 -0.110 0.000 2.073 526 R HA -0.125 4.215 4.340 0.001 0.000 0.234 526 R C 2.370 178.557 176.300 -0.188 0.000 1.134 526 R CA 1.091 57.106 56.100 -0.142 0.000 0.952 526 R CB -0.038 30.156 30.300 -0.176 0.000 0.850 526 R HN 0.187 nan 8.270 nan 0.000 0.433 527 K N -0.116 120.082 120.400 -0.336 0.000 2.025 527 K HA -0.181 4.139 4.320 0.001 0.000 0.207 527 K C 1.957 178.427 176.600 -0.218 0.000 1.049 527 K CA 1.328 57.428 56.287 -0.311 0.000 0.933 527 K CB -0.737 31.500 32.500 -0.438 0.000 0.714 527 K HN 0.251 nan 8.250 nan 0.000 0.438 528 Y N 3.098 123.135 120.300 -0.438 0.000 2.114 528 Y HA -0.288 4.262 4.550 0.001 0.000 0.282 528 Y C 1.868 177.713 175.900 -0.092 0.000 1.165 528 Y CA 1.803 59.731 58.100 -0.287 0.000 1.148 528 Y CB -0.271 37.935 38.460 -0.423 0.000 0.972 528 Y HN 0.134 nan 8.280 nan 0.000 0.504 529 N N -0.716 117.972 118.700 -0.021 0.000 2.142 529 N HA -0.222 4.519 4.740 0.001 0.000 0.186 529 N C 1.894 177.349 175.510 -0.092 0.000 1.023 529 N CA 1.771 54.781 53.050 -0.067 0.000 0.852 529 N CB -0.966 37.529 38.487 0.015 0.000 0.998 529 N HN 0.635 nan 8.380 nan 0.000 0.424 530 H N 0.387 119.346 119.070 -0.185 0.000 2.353 530 H HA -0.077 4.479 4.556 0.001 0.000 0.298 530 H C 1.856 177.040 175.328 -0.240 0.000 1.103 530 H CA 1.240 57.173 56.048 -0.191 0.000 1.293 530 H CB 0.323 29.977 29.762 -0.178 0.000 1.372 530 H HN -0.074 nan 8.280 nan 0.000 0.501 531 V N 1.048 120.839 119.914 -0.204 0.000 2.358 531 V HA -0.228 3.893 4.120 0.001 0.000 0.246 531 V C 2.349 178.193 176.094 -0.415 0.000 1.047 531 V CA 1.539 63.619 62.300 -0.367 0.000 1.035 531 V CB -0.288 31.317 31.823 -0.364 0.000 0.658 531 V HN 0.370 nan 8.190 nan 0.000 0.452 532 K N 0.736 120.889 120.400 -0.412 0.000 2.044 532 K HA -0.163 4.157 4.320 0.001 0.000 0.210 532 K C 2.291 178.727 176.600 -0.274 0.000 1.049 532 K CA 1.829 57.901 56.287 -0.358 0.000 0.927 532 K CB -1.143 31.158 32.500 -0.332 0.000 0.713 532 K HN 0.479 nan 8.250 nan 0.000 0.443 533 A N 1.283 123.981 122.820 -0.204 0.000 1.908 533 A HA -0.143 4.177 4.320 0.001 0.000 0.218 533 A C 2.404 179.886 177.584 -0.170 0.000 1.181 533 A CA 1.480 53.420 52.037 -0.162 0.000 0.627 533 A CB -0.700 18.259 19.000 -0.069 0.000 0.818 533 A HN 0.225 nan 8.150 nan 0.000 0.445 534 L N -1.013 120.102 121.223 -0.181 0.000 2.093 534 L HA -0.236 4.104 4.340 0.001 0.000 0.208 534 L C 2.842 179.579 176.870 -0.220 0.000 1.085 534 L CA 1.449 56.164 54.840 -0.208 0.000 0.755 534 L CB -0.577 41.307 42.059 -0.291 0.000 0.904 534 L HN 0.465 nan 8.230 nan 0.000 0.435 535 Q N -0.320 119.321 119.800 -0.265 0.000 2.096 535 Q HA -0.266 4.074 4.340 0.001 0.000 0.204 535 Q C 2.289 178.186 176.000 -0.172 0.000 0.982 535 Q CA 1.641 57.311 55.803 -0.220 0.000 0.850 535 Q CB -0.129 28.460 28.738 -0.248 0.000 0.901 535 Q HN 0.580 nan 8.270 nan 0.000 0.422 536 Q N 0.193 119.799 119.800 -0.324 0.000 2.079 536 Q HA -0.175 4.166 4.340 0.001 0.000 0.200 536 Q C 2.092 178.011 176.000 -0.135 0.000 0.974 536 Q CA 1.059 56.545 55.803 -0.529 0.000 0.840 536 Q CB 0.018 28.291 28.738 -0.774 0.000 0.898 536 Q HN 0.424 nan 8.270 nan 0.000 0.430 537 Q N 0.097 119.842 119.800 -0.092 0.000 2.084 537 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 537 Q C 2.106 178.097 176.000 -0.015 0.000 0.978 537 Q CA 1.280 57.073 55.803 -0.015 0.000 0.844 537 Q CB -0.087 28.613 28.738 -0.063 0.000 0.898 537 Q HN 0.463 nan 8.270 nan 0.000 0.426 538 M N -0.517 119.050 119.600 -0.055 0.000 2.117 538 M HA -0.154 4.326 4.480 0.001 0.000 0.262 538 M C 2.034 178.308 176.300 -0.044 0.000 1.065 538 M CA 1.292 56.556 55.300 -0.059 0.000 1.114 538 M CB -0.376 32.175 32.600 -0.082 0.000 1.361 538 M HN 0.193 nan 8.290 nan 0.000 0.408 539 F N 0.477 120.316 119.950 -0.184 0.000 2.095 539 F HA -0.271 4.257 4.527 0.001 0.000 0.298 539 F C 1.972 177.580 175.800 -0.319 0.000 1.104 539 F CA 1.684 59.534 58.000 -0.250 0.000 1.232 539 F CB -0.531 38.326 39.000 -0.238 0.000 0.987 539 F HN -0.000 nan 8.300 nan 0.000 0.475 540 Y N 0.228 120.538 120.300 0.016 0.000 2.181 540 Y HA -0.220 4.331 4.550 0.001 0.000 0.288 540 Y C 2.481 178.266 175.900 -0.192 0.000 1.146 540 Y CA 1.623 59.656 58.100 -0.112 0.000 1.164 540 Y CB -0.468 37.987 38.460 -0.007 0.000 0.982 540 Y HN 0.045 nan 8.280 nan 0.000 0.515 541 I N -0.034 120.507 120.570 -0.049 0.000 2.163 541 I HA -0.337 3.833 4.170 0.001 0.000 0.243 541 I C 1.967 177.965 176.117 -0.199 0.000 1.085 541 I CA 1.770 63.001 61.300 -0.116 0.000 1.347 541 I CB -0.385 37.548 38.000 -0.112 0.000 1.044 541 I HN 0.192 nan 8.210 nan 0.000 0.408 542 D N 0.076 120.325 120.400 -0.251 0.000 2.309 542 D HA -0.165 4.475 4.640 0.001 0.000 0.212 542 D C 1.992 178.098 176.300 -0.323 0.000 0.968 542 D CA 0.991 54.818 54.000 -0.289 0.000 0.882 542 D CB 0.192 40.825 40.800 -0.278 0.000 0.918 542 D HN 0.282 nan 8.370 nan 0.000 0.503 543 Q N -1.613 117.966 119.800 -0.369 0.000 2.317 543 Q HA 0.119 4.459 4.340 0.001 0.000 0.220 543 Q C 1.672 177.581 176.000 -0.151 0.000 0.873 543 Q CA 0.801 56.414 55.803 -0.317 0.000 0.936 543 Q CB 1.036 29.484 28.738 -0.482 0.000 1.105 543 Q HN 0.455 nan 8.270 nan 0.000 0.520 544 T N -3.615 110.867 114.554 -0.121 0.000 2.999 544 T HA 0.233 4.583 4.350 0.001 0.000 0.247 544 T C 1.075 175.728 174.700 -0.079 0.000 1.012 544 T CA -0.115 61.944 62.100 -0.069 0.000 1.048 544 T CB 0.286 69.133 68.868 -0.035 0.000 1.020 544 T HN -0.124 nan 8.240 nan 0.000 0.478 545 S N 2.595 118.222 115.700 -0.122 0.000 2.585 545 S HA 0.493 4.963 4.470 0.001 0.000 0.277 545 S C 0.186 174.695 174.600 -0.152 0.000 1.241 545 S CA -0.420 57.696 58.200 -0.141 0.000 1.041 545 S CB 0.808 63.878 63.200 -0.217 0.000 0.987 545 S HN 0.622 nan 8.310 nan 0.000 0.512 546 N N 1.610 120.253 118.700 -0.094 0.000 2.725 546 N HA -0.163 4.578 4.740 0.001 0.000 0.251 546 N C -0.806 174.701 175.510 -0.005 0.000 1.031 546 N CA 0.316 53.353 53.050 -0.022 0.000 0.720 546 N CB -0.684 37.748 38.487 -0.092 0.000 0.930 546 N HN 0.430 nan 8.380 nan 0.000 0.543 547 Q N 0.740 120.535 119.800 -0.009 0.000 3.027 547 Q HA 0.140 4.480 4.340 0.001 0.000 0.260 547 Q C 0.141 176.143 176.000 0.003 0.000 1.379 547 Q CA -0.142 55.651 55.803 -0.017 0.000 1.038 547 Q CB -0.637 28.082 28.738 -0.031 0.000 1.578 547 Q HN 0.746 nan 8.270 nan 0.000 0.571 548 N N -0.492 118.224 118.700 0.027 0.000 2.458 548 N HA 0.334 5.074 4.740 0.001 0.000 0.271 548 N C -1.983 173.474 175.510 -0.089 0.000 1.210 548 N CA -1.310 51.755 53.050 0.025 0.000 0.978 548 N CB 0.595 39.165 38.487 0.139 0.000 1.206 548 N HN -0.105 nan 8.380 nan 0.000 0.536 549 P HA 0.031 nan 4.420 nan 0.000 0.245 549 P C -0.266 176.687 177.300 -0.578 0.000 1.212 549 P CA 0.912 63.710 63.100 -0.504 0.000 0.774 549 P CB -0.056 31.199 31.700 -0.741 0.000 0.999 550 Y N -0.214 120.111 120.300 0.043 0.000 2.439 550 Y HA 0.274 4.824 4.550 0.001 0.000 0.281 550 Y C 0.897 176.827 175.900 0.050 0.000 1.145 550 Y CA 0.271 58.397 58.100 0.042 0.000 1.252 550 Y CB -0.474 38.014 38.460 0.046 0.000 1.271 550 Y HN -0.195 nan 8.280 nan 0.000 0.516 551 Q N 1.534 121.466 119.800 0.219 0.000 2.907 551 Q HA 0.312 4.653 4.340 0.001 0.000 0.262 551 Q C -2.827 173.244 176.000 0.118 0.000 0.997 551 Q CA -2.177 53.718 55.803 0.152 0.000 0.797 551 Q CB 1.320 30.161 28.738 0.172 0.000 1.228 551 Q HN 0.091 nan 8.270 nan 0.000 0.466 552 P HA 0.389 nan 4.420 nan 0.000 0.272 552 P C 0.479 177.771 177.300 -0.014 0.000 1.230 552 P CA 0.637 63.748 63.100 0.019 0.000 0.788 552 P CB 1.285 32.971 31.700 -0.023 0.000 0.949 553 G N 0.013 108.774 108.800 -0.064 0.000 2.512 553 G HA2 -0.038 3.922 3.960 0.001 0.000 0.210 553 G HA3 -0.038 3.922 3.960 0.001 0.000 0.210 553 G C -1.495 173.260 174.900 -0.242 0.000 1.295 553 G CA -0.319 44.685 45.100 -0.159 0.000 0.934 553 G HN 0.540 nan 8.290 nan 0.000 0.554 554 V N 1.778 121.503 119.914 -0.314 0.000 2.498 554 V HA 0.531 4.652 4.120 0.001 0.000 0.283 554 V C -0.535 175.396 176.094 -0.272 0.000 1.015 554 V CA -1.034 60.948 62.300 -0.530 0.000 0.867 554 V CB 1.503 32.839 31.823 -0.812 0.000 1.025 554 V HN 0.732 nan 8.190 nan 0.000 0.441 555 K N 1.968 122.286 120.400 -0.137 0.000 2.156 555 K HA 0.838 5.158 4.320 0.001 0.000 0.254 555 K C -0.339 176.253 176.600 -0.013 0.000 0.950 555 K CA -0.536 55.659 56.287 -0.152 0.000 0.849 555 K CB 2.536 34.817 32.500 -0.364 0.000 1.100 555 K HN 0.614 nan 8.250 nan 0.000 0.434 556 T N -0.856 113.718 114.554 0.034 0.000 2.923 556 T HA 0.467 4.818 4.350 0.001 0.000 0.311 556 T C -1.009 173.772 174.700 0.134 0.000 1.183 556 T CA 0.283 62.478 62.100 0.158 0.000 1.020 556 T CB 0.839 69.905 68.868 0.331 0.000 1.165 556 T HN 0.696 nan 8.240 nan 0.000 0.482 557 A N 1.951 124.878 122.820 0.177 0.000 2.745 557 A HA -0.162 4.158 4.320 0.001 0.000 0.296 557 A C 1.277 178.928 177.584 0.112 0.000 1.500 557 A CA 2.013 54.154 52.037 0.173 0.000 0.766 557 A CB -2.690 16.393 19.000 0.137 0.000 1.030 557 A HN 1.600 nan 8.150 nan 0.000 0.489 558 T N -3.048 111.583 114.554 0.129 0.000 3.054 558 T HA 0.073 4.423 4.350 0.001 0.000 0.259 558 T C 1.632 176.403 174.700 0.119 0.000 1.092 558 T CA 1.113 63.286 62.100 0.122 0.000 1.121 558 T CB -0.024 68.960 68.868 0.194 0.000 0.912 558 T HN 0.659 nan 8.240 nan 0.000 0.489 559 R N 0.362 120.939 120.500 0.128 0.000 2.062 559 R HA 0.095 4.435 4.340 0.001 0.000 0.226 559 R C 1.789 178.143 176.300 0.090 0.000 1.125 559 R CA 1.296 57.460 56.100 0.107 0.000 0.966 559 R CB 0.009 30.374 30.300 0.107 0.000 0.861 559 R HN 0.356 nan 8.270 nan 0.000 0.433 560 V N -0.571 119.400 119.914 0.095 0.000 3.090 560 V HA 0.038 4.159 4.120 0.001 0.000 0.237 560 V C 1.935 178.064 176.094 0.058 0.000 1.209 560 V CA 0.341 62.687 62.300 0.077 0.000 1.209 560 V CB 0.153 32.029 31.823 0.087 0.000 0.971 560 V HN 0.180 nan 8.190 nan 0.000 0.477 561 I N 0.381 120.981 120.570 0.050 0.000 2.193 561 I HA -0.144 4.026 4.170 0.001 0.000 0.240 561 I C 2.530 178.648 176.117 0.001 0.000 1.084 561 I CA 1.432 62.748 61.300 0.027 0.000 1.365 561 I CB -0.203 37.788 38.000 -0.015 0.000 1.064 561 I HN 0.213 nan 8.210 nan 0.000 0.410 562 K N 1.263 121.657 120.400 -0.009 0.000 2.026 562 K HA -0.119 4.202 4.320 0.001 0.000 0.208 562 K C -0.716 175.874 176.600 -0.017 0.000 1.048 562 K CA 1.745 58.009 56.287 -0.038 0.000 0.929 562 K CB -1.380 31.105 32.500 -0.025 0.000 0.713 562 K HN 0.090 nan 8.250 nan 0.000 0.439 563 P HA -0.168 nan 4.420 nan 0.000 0.215 563 P C 1.343 178.660 177.300 0.028 0.000 1.157 563 P CA 1.129 64.246 63.100 0.027 0.000 0.874 563 P CB -0.058 31.669 31.700 0.045 0.000 0.790 564 L N -0.838 120.406 121.223 0.036 0.000 2.012 564 L HA -0.184 4.156 4.340 0.001 0.000 0.210 564 L C 2.228 179.114 176.870 0.026 0.000 1.073 564 L CA 1.940 56.809 54.840 0.048 0.000 0.748 564 L CB -1.120 40.972 42.059 0.055 0.000 0.891 564 L HN -0.137 nan 8.230 nan 0.000 0.431 565 I N -0.313 120.249 120.570 -0.014 0.000 2.226 565 I HA -0.270 3.900 4.170 0.001 0.000 0.245 565 I C 2.033 178.132 176.117 -0.030 0.000 1.100 565 I CA 1.421 62.680 61.300 -0.068 0.000 1.374 565 I CB -0.524 37.359 38.000 -0.194 0.000 1.057 565 I HN 0.331 nan 8.210 nan 0.000 0.413 566 D N 0.556 120.939 120.400 -0.028 0.000 2.097 566 D HA -0.114 4.527 4.640 0.001 0.000 0.197 566 D C 2.362 178.707 176.300 0.074 0.000 0.984 566 D CA 1.111 55.114 54.000 0.005 0.000 0.826 566 D CB -0.158 40.633 40.800 -0.015 0.000 0.973 566 D HN 0.186 nan 8.370 nan 0.000 0.460 567 R N -0.101 120.425 120.500 0.042 0.000 2.096 567 R HA -0.052 4.288 4.340 0.001 0.000 0.235 567 R C 2.231 178.525 176.300 -0.010 0.000 1.127 567 R CA 1.446 57.563 56.100 0.029 0.000 0.968 567 R CB -0.303 30.015 30.300 0.029 0.000 0.861 567 R HN 0.130 nan 8.270 nan 0.000 0.440 568 T N 0.692 115.238 114.554 -0.014 0.000 2.777 568 T HA -0.134 4.216 4.350 0.001 0.000 0.266 568 T C 1.338 176.017 174.700 -0.035 0.000 1.040 568 T CA 1.131 63.170 62.100 -0.102 0.000 1.141 568 T CB -0.303 68.553 68.868 -0.020 0.000 0.868 568 T HN 0.157 nan 8.240 nan 0.000 0.444 569 F N 2.459 122.357 119.950 -0.087 0.000 2.046 569 F HA -0.106 4.422 4.527 0.001 0.000 0.297 569 F C 2.525 178.314 175.800 -0.018 0.000 1.123 569 F CA 1.303 59.271 58.000 -0.053 0.000 1.199 569 F CB -0.814 38.138 39.000 -0.081 0.000 0.972 569 F HN 0.147 nan 8.300 nan 0.000 0.474 570 A N -0.584 122.284 122.820 0.081 0.000 1.917 570 A HA -0.239 4.082 4.320 0.001 0.000 0.219 570 A C 2.188 179.684 177.584 -0.146 0.000 1.182 570 A CA 2.575 54.604 52.037 -0.014 0.000 0.633 570 A CB -1.490 17.539 19.000 0.049 0.000 0.819 570 A HN 0.501 nan 8.150 nan 0.000 0.448 571 T N -0.170 114.266 114.554 -0.195 0.000 2.668 571 T HA -0.112 4.239 4.350 0.001 0.000 0.262 571 T C 2.026 176.408 174.700 -0.531 0.000 1.045 571 T CA 2.164 64.025 62.100 -0.398 0.000 1.152 571 T CB -0.848 67.811 68.868 -0.348 0.000 0.864 571 T HN 0.674 nan 8.240 nan 0.000 0.419 572 V N 0.408 120.186 119.914 -0.227 0.000 2.594 572 V HA -0.078 4.043 4.120 0.001 0.000 0.253 572 V C 2.368 178.554 176.094 0.152 0.000 1.069 572 V CA 1.182 63.529 62.300 0.078 0.000 1.082 572 V CB -1.310 30.699 31.823 0.309 0.000 0.680 572 V HN 0.296 nan 8.190 nan 0.000 0.469 573 V N 0.580 120.482 119.914 -0.020 0.000 2.453 573 V HA -0.200 3.920 4.120 0.001 0.000 0.247 573 V C 2.724 178.841 176.094 0.039 0.000 1.048 573 V CA 2.439 64.746 62.300 0.013 0.000 1.049 573 V CB -0.716 30.969 31.823 -0.230 0.000 0.672 573 V HN 0.680 nan 8.190 nan 0.000 0.457 574 K N -0.264 120.099 120.400 -0.060 0.000 2.057 574 K HA -0.193 4.128 4.320 0.001 0.000 0.207 574 K C 2.122 178.806 176.600 0.141 0.000 1.049 574 K CA 1.834 58.110 56.287 -0.018 0.000 0.931 574 K CB -0.233 32.199 32.500 -0.114 0.000 0.714 574 K HN 0.368 nan 8.250 nan 0.000 0.440 575 F N 0.377 120.388 119.950 0.103 0.000 2.206 575 F HA -0.050 4.477 4.527 0.001 0.000 0.298 575 F C 2.231 178.063 175.800 0.054 0.000 1.090 575 F CA 0.317 58.365 58.000 0.079 0.000 1.323 575 F CB -1.168 37.909 39.000 0.128 0.000 1.028 575 F HN 0.028 nan 8.300 nan 0.000 0.492 576 F N 1.410 121.405 119.950 0.075 0.000 2.146 576 F HA -0.203 4.324 4.527 0.001 0.000 0.298 576 F C 2.119 177.927 175.800 0.012 0.000 1.096 576 F CA 1.466 59.416 58.000 -0.083 0.000 1.275 576 F CB -0.425 38.187 39.000 -0.647 0.000 1.008 576 F HN -0.150 nan 8.300 nan 0.000 0.480 577 N N 0.397 119.191 118.700 0.158 0.000 2.223 577 N HA -0.161 4.579 4.740 0.001 0.000 0.185 577 N C 1.713 177.177 175.510 -0.075 0.000 1.016 577 N CA 1.356 54.414 53.050 0.014 0.000 0.863 577 N CB -0.393 38.094 38.487 -0.000 0.000 0.983 577 N HN 0.519 nan 8.380 nan 0.000 0.429 578 Q N 0.288 120.075 119.800 -0.022 0.000 2.049 578 Q HA -0.003 4.338 4.340 0.001 0.000 0.198 578 Q C 1.956 177.868 176.000 -0.145 0.000 0.971 578 Q CA 0.997 56.767 55.803 -0.054 0.000 0.833 578 Q CB 0.017 28.764 28.738 0.015 0.000 0.896 578 Q HN 0.278 nan 8.270 nan 0.000 0.434 579 K N 0.024 120.304 120.400 -0.201 0.000 2.057 579 K HA -0.083 4.237 4.320 0.001 0.000 0.206 579 K C 0.601 176.813 176.600 -0.647 0.000 1.050 579 K CA 1.026 57.056 56.287 -0.429 0.000 0.935 579 K CB 0.181 32.386 32.500 -0.492 0.000 0.715 579 K HN 0.096 nan 8.250 nan 0.000 0.439 580 F N 1.487 121.163 119.950 -0.456 0.000 2.668 580 F HA 0.240 4.767 4.527 0.001 0.000 0.301 580 F C -0.205 175.417 175.800 -0.298 0.000 1.106 580 F CA -0.539 57.183 58.000 -0.464 0.000 1.289 580 F CB 0.272 38.763 39.000 -0.848 0.000 1.006 580 F HN 0.023 nan 8.300 nan 0.000 0.535 581 N N 0.685 119.309 118.700 -0.128 0.000 2.707 581 N HA -0.219 4.522 4.740 0.001 0.000 0.253 581 N C 0.047 175.510 175.510 -0.078 0.000 0.998 581 N CA 0.762 53.755 53.050 -0.094 0.000 0.751 581 N CB -1.140 37.320 38.487 -0.044 0.000 0.920 581 N HN 0.376 nan 8.380 nan 0.000 0.539 582 A N -0.512 122.228 122.820 -0.134 0.000 2.284 582 A HA 0.718 5.038 4.320 0.001 0.000 0.317 582 A C 0.102 177.512 177.584 -0.289 0.000 1.120 582 A CA -0.450 51.559 52.037 -0.047 0.000 0.900 582 A CB 0.775 19.825 19.000 0.084 0.000 1.319 582 A HN 0.427 nan 8.150 nan 0.000 0.494 583 H N -0.571 118.542 119.070 0.071 0.000 2.767 583 H HA 0.342 4.898 4.556 0.001 0.000 0.235 583 H C -0.759 174.602 175.328 0.054 0.000 1.256 583 H CA -0.306 55.777 56.048 0.059 0.000 0.957 583 H CB 0.027 29.818 29.762 0.049 0.000 2.117 583 H HN 0.377 nan 8.280 nan 0.000 0.602 584 L N 1.007 122.276 121.223 0.075 0.000 2.485 584 L HA 0.003 4.344 4.340 0.001 0.000 0.275 584 L C 0.569 177.509 176.870 0.117 0.000 1.207 584 L CA 0.086 54.922 54.840 -0.005 0.000 0.855 584 L CB 0.430 42.287 42.059 -0.336 0.000 1.114 584 L HN 0.344 nan 8.230 nan 0.000 0.485 585 D N 2.076 122.621 120.400 0.241 0.000 2.371 585 D HA 0.168 4.809 4.640 0.001 0.000 0.256 585 D C 0.462 176.946 176.300 0.307 0.000 1.193 585 D CA 0.046 54.197 54.000 0.252 0.000 0.881 585 D CB 1.605 42.555 40.800 0.250 0.000 1.143 585 D HN 0.557 nan 8.370 nan 0.000 0.473 586 A N 3.255 126.197 122.820 0.203 0.000 2.307 586 A HA 0.144 4.465 4.320 0.001 0.000 0.218 586 A C 0.979 178.727 177.584 0.273 0.000 1.228 586 A CA 0.082 52.231 52.037 0.187 0.000 0.857 586 A CB -0.564 18.481 19.000 0.076 0.000 0.897 586 A HN 0.603 nan 8.150 nan 0.000 0.495 587 T N -2.315 112.379 114.554 0.234 0.000 2.918 587 T HA 0.328 4.679 4.350 0.001 0.000 0.302 587 T C 0.960 175.738 174.700 0.131 0.000 1.045 587 T CA 0.595 62.783 62.100 0.147 0.000 1.114 587 T CB 1.165 70.073 68.868 0.066 0.000 0.965 587 T HN 0.396 nan 8.240 nan 0.000 0.540 588 T N -1.850 112.727 114.554 0.037 0.000 2.971 588 T HA 0.230 4.581 4.350 0.001 0.000 0.252 588 T C -0.071 174.556 174.700 -0.122 0.000 1.022 588 T CA -0.274 61.778 62.100 -0.081 0.000 0.980 588 T CB 0.208 69.062 68.868 -0.022 0.000 1.044 588 T HN 0.621 nan 8.240 nan 0.000 0.501 589 D N 1.500 121.861 120.400 -0.065 0.000 2.344 589 D HA 0.252 4.892 4.640 0.001 0.000 0.239 589 D C -1.166 175.090 176.300 -0.073 0.000 1.064 589 D CA -0.564 53.405 54.000 -0.052 0.000 0.829 589 D CB 1.502 42.290 40.800 -0.020 0.000 1.129 589 D HN 0.263 nan 8.370 nan 0.000 0.506 590 Y N 2.704 122.878 120.300 -0.209 0.000 2.717 590 Y HA 0.125 4.675 4.550 0.001 0.000 0.330 590 Y C -0.421 175.159 175.900 -0.533 0.000 1.217 590 Y CA 0.081 57.967 58.100 -0.356 0.000 1.506 590 Y CB 0.494 38.700 38.460 -0.423 0.000 1.268 590 Y HN 0.258 nan 8.280 nan 0.000 0.561 591 M N 10.528 129.361 119.600 -1.278 0.000 2.124 591 M HA 0.392 4.872 4.480 0.001 0.000 0.280 591 M C -2.273 173.244 176.300 -1.304 0.000 0.954 591 M CA -2.768 51.860 55.300 -1.120 0.000 0.958 591 M CB 1.462 33.768 32.600 -0.490 0.000 1.611 591 M HN 0.412 nan 8.290 nan 0.000 0.449 592 P HA -0.001 nan 4.420 nan 0.000 0.220 592 P C -0.281 176.765 177.300 -0.423 0.000 1.152 592 P CA 1.244 63.861 63.100 -0.805 0.000 0.812 592 P CB 0.108 31.441 31.700 -0.612 0.000 0.792 593 H N 0.000 118.928 119.070 -0.237 0.000 2.539 593 H HA 0.000 4.556 4.556 0.001 0.000 0.296 593 H CA 0.000 55.974 56.048 -0.123 0.000 1.023 593 H CB 0.000 29.719 29.762 -0.071 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496