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 2nqv_1_B DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RADPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.863 176.870 -0.012 0.000 1.165 7 L CA 0.000 54.850 54.840 0.016 0.000 0.813 7 L CB 0.000 42.073 42.059 0.023 0.000 0.961 8 M N 2.162 121.747 119.600 -0.025 0.000 2.245 8 M HA 0.227 4.707 4.480 -0.000 0.000 0.344 8 M C 0.383 176.631 176.300 -0.088 0.000 1.170 8 M CA 0.216 55.458 55.300 -0.096 0.000 1.135 8 M CB 1.044 33.527 32.600 -0.195 0.000 1.574 8 M HN 0.317 nan 8.290 nan 0.000 0.452 9 S N 4.542 120.175 115.700 -0.111 0.000 2.554 9 S HA 0.228 4.697 4.470 -0.000 0.000 0.278 9 S C 1.070 175.609 174.600 -0.103 0.000 1.242 9 S CA -0.972 57.177 58.200 -0.085 0.000 1.051 9 S CB 1.299 64.452 63.200 -0.078 0.000 0.986 9 S HN 0.957 nan 8.310 nan 0.000 0.502 10 L N 0.963 122.152 121.223 -0.056 0.000 2.011 10 L HA -0.249 4.091 4.340 -0.000 0.000 0.225 10 L C 2.477 179.291 176.870 -0.093 0.000 1.084 10 L CA 2.477 57.286 54.840 -0.051 0.000 0.791 10 L CB -0.604 41.475 42.059 0.034 0.000 0.898 10 L HN 0.910 nan 8.230 nan 0.000 0.440 11 D N -0.922 119.432 120.400 -0.076 0.000 2.133 11 D HA -0.200 4.440 4.640 -0.000 0.000 0.192 11 D C 1.956 178.180 176.300 -0.126 0.000 1.001 11 D CA 2.082 56.031 54.000 -0.085 0.000 0.844 11 D CB -0.060 40.699 40.800 -0.068 0.000 0.944 11 D HN 0.363 nan 8.370 nan 0.000 0.447 12 T N 0.024 114.486 114.554 -0.153 0.000 2.684 12 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 12 T C 1.964 176.481 174.700 -0.304 0.000 1.036 12 T CA 1.942 63.920 62.100 -0.204 0.000 1.148 12 T CB -0.546 68.192 68.868 -0.217 0.000 0.863 12 T HN 0.278 nan 8.240 nan 0.000 0.436 13 A N 1.209 123.799 122.820 -0.383 0.000 1.877 13 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 13 A C 2.349 179.767 177.584 -0.277 0.000 1.186 13 A CA 1.065 52.783 52.037 -0.531 0.000 0.620 13 A CB -0.964 17.793 19.000 -0.404 0.000 0.822 13 A HN 0.436 nan 8.150 nan 0.000 0.443 14 L N -0.643 120.460 121.223 -0.201 0.000 1.971 14 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 14 L C 2.492 179.265 176.870 -0.161 0.000 1.072 14 L CA 2.312 57.051 54.840 -0.168 0.000 0.758 14 L CB -0.652 41.330 42.059 -0.128 0.000 0.889 14 L HN 0.511 nan 8.230 nan 0.000 0.433 15 N N -0.678 117.936 118.700 -0.142 0.000 2.069 15 N HA -0.272 4.468 4.740 -0.000 0.000 0.191 15 N C 1.701 177.146 175.510 -0.108 0.000 1.031 15 N CA 1.536 54.519 53.050 -0.112 0.000 0.852 15 N CB -0.040 38.388 38.487 -0.098 0.000 1.018 15 N HN 0.220 nan 8.380 nan 0.000 0.423 16 E N 0.462 120.582 120.200 -0.133 0.000 2.085 16 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 16 E C 1.790 178.375 176.600 -0.026 0.000 0.994 16 E CA 1.387 57.745 56.400 -0.069 0.000 0.801 16 E CB -0.096 29.518 29.700 -0.143 0.000 0.743 16 E HN 0.368 nan 8.360 nan 0.000 0.453 17 M N -0.494 119.018 119.600 -0.147 0.000 2.059 17 M HA -0.143 4.337 4.480 -0.000 0.000 0.259 17 M C 2.324 178.470 176.300 -0.255 0.000 1.072 17 M CA 1.506 56.576 55.300 -0.383 0.000 1.117 17 M CB -0.411 31.835 32.600 -0.590 0.000 1.320 17 M HN 0.129 nan 8.290 nan 0.000 0.408 18 L N 0.023 121.125 121.223 -0.202 0.000 2.127 18 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 18 L C 2.738 179.547 176.870 -0.101 0.000 1.089 18 L CA 1.454 56.198 54.840 -0.159 0.000 0.757 18 L CB -0.695 41.289 42.059 -0.125 0.000 0.899 18 L HN 0.445 nan 8.230 nan 0.000 0.434 19 S N -0.089 115.574 115.700 -0.062 0.000 2.453 19 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 19 S C 1.919 176.538 174.600 0.032 0.000 1.005 19 S CA 0.402 58.596 58.200 -0.011 0.000 0.949 19 S CB -0.230 62.971 63.200 0.002 0.000 0.774 19 S HN 0.484 nan 8.310 nan 0.000 0.510 20 R N 0.763 121.290 120.500 0.045 0.000 2.237 20 R HA 0.302 4.641 4.340 -0.000 0.000 0.195 20 R C 0.048 176.438 176.300 0.151 0.000 0.956 20 R CA 0.098 56.291 56.100 0.154 0.000 1.029 20 R CB -0.601 29.897 30.300 0.331 0.000 0.972 20 R HN 0.303 nan 8.270 nan 0.000 0.493 21 V N 3.055 122.931 119.914 -0.064 0.000 2.479 21 V HA 0.058 4.178 4.120 -0.000 0.000 0.281 21 V C 0.234 176.363 176.094 0.058 0.000 1.031 21 V CA 0.485 62.734 62.300 -0.084 0.000 1.038 21 V CB 1.261 32.910 31.823 -0.290 0.000 0.981 21 V HN 0.133 nan 8.190 nan 0.000 0.478 22 T N 8.334 122.989 114.554 0.169 0.000 2.749 22 T HA 0.356 4.706 4.350 -0.000 0.000 0.287 22 T C -2.280 172.484 174.700 0.106 0.000 0.970 22 T CA -0.916 61.259 62.100 0.125 0.000 0.980 22 T CB 1.357 70.312 68.868 0.146 0.000 0.924 22 T HN 0.532 nan 8.240 nan 0.000 0.456 23 P HA 0.104 nan 4.420 nan 0.000 0.266 23 P C -0.066 177.267 177.300 0.055 0.000 1.195 23 P CA -0.693 62.433 63.100 0.045 0.000 0.768 23 P CB 0.478 32.191 31.700 0.022 0.000 0.838 24 L N 3.191 124.446 121.223 0.053 0.000 2.516 24 L HA -0.003 4.337 4.340 -0.000 0.000 0.288 24 L C 1.708 178.598 176.870 0.034 0.000 1.246 24 L CA 1.657 56.526 54.840 0.048 0.000 0.844 24 L CB -0.466 41.618 42.059 0.042 0.000 1.106 24 L HN 0.676 nan 8.230 nan 0.000 0.509 25 T N -1.286 113.287 114.554 0.031 0.000 3.192 25 T HA 0.493 4.843 4.350 -0.000 0.000 0.295 25 T C 0.348 175.060 174.700 0.020 0.000 0.947 25 T CA 0.152 62.267 62.100 0.024 0.000 0.916 25 T CB -0.087 68.796 68.868 0.024 0.000 1.169 25 T HN 0.634 nan 8.240 nan 0.000 0.540 26 A N 2.087 124.920 122.820 0.021 0.000 2.425 26 A HA 0.602 4.922 4.320 -0.000 0.000 0.242 26 A C 0.229 177.821 177.584 0.014 0.000 1.077 26 A CA -0.365 51.683 52.037 0.018 0.000 0.781 26 A CB 0.203 19.215 19.000 0.019 0.000 1.020 26 A HN 0.787 nan 8.150 nan 0.000 0.494 27 Q N 0.665 120.473 119.800 0.013 0.000 2.379 27 Q HA 0.632 4.972 4.340 -0.000 0.000 0.278 27 Q C -1.160 174.846 176.000 0.010 0.000 1.068 27 Q CA -0.789 55.020 55.803 0.010 0.000 0.816 27 Q CB 1.773 30.517 28.738 0.010 0.000 1.387 27 Q HN 0.838 nan 8.270 nan 0.000 0.413 28 E N 1.360 121.565 120.200 0.008 0.000 2.369 28 E HA 0.538 4.888 4.350 -0.000 0.000 0.270 28 E C -1.358 175.247 176.600 0.008 0.000 0.909 28 E CA -0.889 55.516 56.400 0.009 0.000 0.775 28 E CB 2.517 32.223 29.700 0.009 0.000 1.270 28 E HN 0.564 nan 8.360 nan 0.000 0.445 29 T N 3.034 117.594 114.554 0.009 0.000 2.842 29 T HA 0.436 4.786 4.350 -0.000 0.000 0.308 29 T C -0.661 174.045 174.700 0.011 0.000 1.041 29 T CA -0.542 61.564 62.100 0.010 0.000 0.964 29 T CB -0.008 68.867 68.868 0.011 0.000 0.972 29 T HN 0.338 nan 8.240 nan 0.000 0.460 30 L N 3.303 124.533 121.223 0.010 0.000 2.323 30 L HA 0.746 5.086 4.340 -0.000 0.000 0.265 30 L C -2.569 174.309 176.870 0.014 0.000 1.012 30 L CA -2.930 51.917 54.840 0.013 0.000 0.820 30 L CB 0.097 42.164 42.059 0.014 0.000 1.334 30 L HN 0.185 nan 8.230 nan 0.000 0.427 31 P HA 0.126 nan 4.420 nan 0.000 0.268 31 P C 1.072 178.384 177.300 0.021 0.000 1.205 31 P CA -0.223 62.889 63.100 0.018 0.000 0.771 31 P CB 0.728 32.439 31.700 0.019 0.000 0.858 32 L N 2.918 124.154 121.223 0.021 0.000 2.082 32 L HA -0.246 4.094 4.340 -0.000 0.000 0.223 32 L C 2.472 179.363 176.870 0.035 0.000 1.086 32 L CA 1.780 56.633 54.840 0.023 0.000 0.793 32 L CB -1.367 40.708 42.059 0.026 0.000 0.896 32 L HN 0.233 nan 8.230 nan 0.000 0.441 33 V N -0.380 119.556 119.914 0.036 0.000 2.688 33 V HA -0.261 3.859 4.120 -0.000 0.000 0.256 33 V C 2.115 178.240 176.094 0.052 0.000 1.084 33 V CA 1.780 64.106 62.300 0.042 0.000 1.103 33 V CB -0.293 31.547 31.823 0.029 0.000 0.688 33 V HN 0.556 nan 8.190 nan 0.000 0.480 34 Q N -2.195 117.633 119.800 0.046 0.000 2.319 34 Q HA 0.090 4.430 4.340 -0.000 0.000 0.202 34 Q C 1.568 177.605 176.000 0.061 0.000 0.896 34 Q CA 0.395 56.228 55.803 0.050 0.000 0.942 34 Q CB 0.277 29.034 28.738 0.032 0.000 1.083 34 Q HN 0.642 nan 8.270 nan 0.000 0.510 35 C N 0.577 119.913 119.300 0.060 0.000 2.855 35 C HA 0.213 4.673 4.460 -0.000 0.000 0.279 35 C C 0.564 175.557 174.990 0.006 0.000 1.270 35 C CA -0.862 58.169 59.018 0.022 0.000 1.702 35 C CB -1.317 26.415 27.740 -0.013 0.000 1.949 35 C HN 0.407 nan 8.230 nan 0.000 0.618 36 F N 1.432 121.365 119.950 -0.030 0.000 2.602 36 F HA 0.425 4.952 4.527 -0.000 0.000 0.385 36 F C 1.329 177.108 175.800 -0.035 0.000 1.063 36 F CA 1.847 59.827 58.000 -0.035 0.000 1.233 36 F CB 0.369 39.353 39.000 -0.026 0.000 1.067 36 F HN 0.439 nan 8.300 nan 0.000 0.564 37 G N 4.109 112.436 108.800 -0.789 0.000 2.176 37 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 37 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 37 G C 0.221 174.997 174.900 -0.206 0.000 0.979 37 G CA -0.298 44.549 45.100 -0.421 0.000 0.641 37 G HN 0.624 nan 8.290 nan 0.000 0.530 38 R N 0.308 120.698 120.500 -0.184 0.000 2.346 38 R HA 0.493 4.833 4.340 -0.000 0.000 0.311 38 R C 0.553 176.785 176.300 -0.113 0.000 0.983 38 R CA -0.985 55.053 56.100 -0.104 0.000 0.880 38 R CB 0.910 31.174 30.300 -0.060 0.000 1.100 38 R HN 0.174 nan 8.270 nan 0.000 0.453 39 I N 3.777 124.298 120.570 -0.081 0.000 2.618 39 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 39 I C 0.880 176.965 176.117 -0.054 0.000 1.146 39 I CA -0.512 60.746 61.300 -0.071 0.000 1.425 39 I CB -0.334 37.638 38.000 -0.047 0.000 1.383 39 I HN 0.377 nan 8.210 nan 0.000 0.562 40 L N 5.738 126.928 121.223 -0.054 0.000 2.395 40 L HA 0.416 4.756 4.340 -0.000 0.000 0.269 40 L C 1.090 177.954 176.870 -0.009 0.000 1.133 40 L CA 0.275 55.096 54.840 -0.032 0.000 0.812 40 L CB 1.445 43.486 42.059 -0.030 0.000 1.125 40 L HN 0.775 nan 8.230 nan 0.000 0.452 41 A N 2.113 124.933 122.820 0.001 0.000 1.924 41 A HA 0.294 4.614 4.320 -0.000 0.000 0.211 41 A C 0.479 178.071 177.584 0.014 0.000 1.198 41 A CA 0.950 52.990 52.037 0.007 0.000 0.657 41 A CB -0.159 18.845 19.000 0.007 0.000 0.852 41 A HN 0.684 nan 8.150 nan 0.000 0.454 42 S N 0.346 116.058 115.700 0.020 0.000 2.541 42 S HA 0.459 4.929 4.470 -0.000 0.000 0.271 42 S C -1.794 172.828 174.600 0.037 0.000 1.133 42 S CA -1.088 57.127 58.200 0.025 0.000 0.876 42 S CB 1.228 64.441 63.200 0.021 0.000 1.105 42 S HN 0.191 nan 8.310 nan 0.000 0.470 43 D N 1.404 121.827 120.400 0.039 0.000 2.601 43 D HA 0.133 4.773 4.640 -0.000 0.000 0.229 43 D C -0.151 176.183 176.300 0.057 0.000 1.140 43 D CA 0.298 54.329 54.000 0.052 0.000 0.862 43 D CB 0.316 41.134 40.800 0.031 0.000 1.192 43 D HN 0.327 nan 8.370 nan 0.000 0.480 44 V N 3.068 123.034 119.914 0.087 0.000 2.389 44 V HA 0.118 4.238 4.120 -0.000 0.000 0.264 44 V C 0.465 176.578 176.094 0.031 0.000 1.049 44 V CA -0.608 61.742 62.300 0.084 0.000 0.932 44 V CB 1.246 33.174 31.823 0.175 0.000 1.011 44 V HN 0.204 nan 8.190 nan 0.000 0.475 45 V N 4.560 124.487 119.914 0.021 0.000 2.407 45 V HA 0.255 4.375 4.120 -0.000 0.000 0.278 45 V C 0.681 176.776 176.094 0.001 0.000 1.037 45 V CA -0.094 62.208 62.300 0.002 0.000 0.900 45 V CB 1.820 33.646 31.823 0.005 0.000 0.983 45 V HN 0.901 nan 8.190 nan 0.000 0.459 46 S N 7.566 123.257 115.700 -0.015 0.000 2.488 46 S HA 0.227 4.697 4.470 -0.000 0.000 0.278 46 S C -0.991 173.610 174.600 0.000 0.000 1.259 46 S CA -0.936 57.257 58.200 -0.012 0.000 1.061 46 S CB 0.851 64.033 63.200 -0.030 0.000 0.910 46 S HN 0.699 nan 8.310 nan 0.000 0.491 47 P HA 0.172 nan 4.420 nan 0.000 0.240 47 P C -0.242 177.068 177.300 0.017 0.000 1.190 47 P CA 0.283 63.392 63.100 0.015 0.000 0.781 47 P CB -0.202 31.511 31.700 0.021 0.000 0.931 48 L N -4.551 116.682 121.223 0.016 0.000 2.403 48 L HA 0.667 5.006 4.340 -0.000 0.000 0.253 48 L C -0.773 176.104 176.870 0.012 0.000 1.045 48 L CA -1.205 53.648 54.840 0.021 0.000 0.845 48 L CB 0.873 42.954 42.059 0.036 0.000 1.447 48 L HN -0.412 nan 8.230 nan 0.000 0.411 49 D N 0.989 121.398 120.400 0.016 0.000 2.351 49 D HA 0.426 5.066 4.640 -0.000 0.000 0.251 49 D C -0.995 175.300 176.300 -0.007 0.000 1.137 49 D CA 0.209 54.211 54.000 0.002 0.000 0.879 49 D CB 2.282 43.087 40.800 0.009 0.000 1.181 49 D HN 0.325 nan 8.370 nan 0.000 0.448 50 V N 5.557 125.453 119.914 -0.029 0.000 2.483 50 V HA 0.257 4.376 4.120 -0.000 0.000 0.297 50 V C -2.071 173.979 176.094 -0.074 0.000 1.027 50 V CA -1.589 60.681 62.300 -0.050 0.000 0.855 50 V CB 2.255 34.057 31.823 -0.035 0.000 0.995 50 V HN 0.434 nan 8.190 nan 0.000 0.424 51 P HA 0.109 nan 4.420 nan 0.000 0.271 51 P C 0.686 177.882 177.300 -0.173 0.000 1.233 51 P CA 0.097 63.075 63.100 -0.202 0.000 0.789 51 P CB 0.898 32.399 31.700 -0.331 0.000 0.951 52 G N -0.165 108.531 108.800 -0.173 0.000 3.284 52 G HA2 0.412 4.372 3.960 -0.000 0.000 0.236 52 G HA3 0.412 4.372 3.960 -0.000 0.000 0.236 52 G C -0.382 174.649 174.900 0.218 0.000 1.158 52 G CA -0.243 44.895 45.100 0.063 0.000 0.774 52 G HN 0.558 nan 8.290 nan 0.000 0.545 53 F N -1.915 118.048 119.950 0.021 0.000 2.654 53 F HA 0.297 4.824 4.527 -0.000 0.000 0.315 53 F C -1.705 174.107 175.800 0.021 0.000 1.042 53 F CA -2.197 55.818 58.000 0.025 0.000 1.048 53 F CB -0.184 38.836 39.000 0.032 0.000 1.287 53 F HN -0.064 nan 8.300 nan 0.000 0.501 54 D N 3.665 124.130 120.400 0.108 0.000 2.493 54 D HA 0.268 4.908 4.640 -0.000 0.000 0.240 54 D C -0.321 176.046 176.300 0.112 0.000 1.142 54 D CA 0.451 54.475 54.000 0.039 0.000 0.872 54 D CB 0.421 41.258 40.800 0.063 0.000 1.173 54 D HN 0.759 nan 8.370 nan 0.000 0.467 55 N N -0.025 118.675 118.700 -0.001 0.000 2.525 55 N HA 0.279 5.019 4.740 -0.000 0.000 0.270 55 N C -1.260 174.259 175.510 0.015 0.000 1.321 55 N CA -0.916 52.169 53.050 0.058 0.000 0.797 55 N CB 1.663 40.151 38.487 0.002 0.000 1.529 55 N HN 0.289 nan 8.380 nan 0.000 0.491 56 S N -0.709 115.010 115.700 0.031 0.000 2.548 56 S HA 0.431 4.901 4.470 -0.000 0.000 0.277 56 S C 0.668 175.266 174.600 -0.003 0.000 1.315 56 S CA -0.300 57.904 58.200 0.007 0.000 1.050 56 S CB 0.174 63.370 63.200 -0.005 0.000 0.918 56 S HN 0.699 nan 8.310 nan 0.000 0.497 57 A N 4.698 127.513 122.820 -0.008 0.000 2.476 57 A HA 0.593 4.913 4.320 -0.000 0.000 0.263 57 A C 0.138 177.719 177.584 -0.006 0.000 1.342 57 A CA -0.166 51.865 52.037 -0.010 0.000 0.926 57 A CB -0.662 18.332 19.000 -0.012 0.000 1.019 57 A HN 0.795 nan 8.150 nan 0.000 0.515 58 M N -1.314 118.282 119.600 -0.007 0.000 2.958 58 M HA 0.209 4.689 4.480 -0.000 0.000 0.265 58 M C -2.388 173.897 176.300 -0.024 0.000 0.976 58 M CA -0.292 55.002 55.300 -0.010 0.000 0.792 58 M CB 1.458 34.054 32.600 -0.005 0.000 1.668 58 M HN 0.106 nan 8.290 nan 0.000 0.559 59 D N 0.944 121.324 120.400 -0.034 0.000 2.168 59 D HA 0.773 5.412 4.640 -0.000 0.000 0.246 59 D C 0.068 176.297 176.300 -0.119 0.000 1.050 59 D CA 0.848 54.807 54.000 -0.069 0.000 0.857 59 D CB 1.785 42.557 40.800 -0.047 0.000 1.169 59 D HN 0.807 nan 8.370 nan 0.000 0.453 60 G N 1.473 110.124 108.800 -0.250 0.000 2.534 60 G HA2 0.092 4.052 3.960 -0.000 0.000 0.142 60 G HA3 0.092 4.052 3.960 -0.000 0.000 0.142 60 G C -1.978 172.504 174.900 -0.697 0.000 1.178 60 G CA -0.634 44.238 45.100 -0.380 0.000 1.037 60 G HN 0.392 nan 8.290 nan 0.000 0.474 61 Y N 0.319 120.630 120.300 0.020 0.000 2.492 61 Y HA 0.754 5.304 4.550 -0.000 0.000 0.346 61 Y C 0.514 176.386 175.900 -0.047 0.000 0.997 61 Y CA -0.573 57.513 58.100 -0.024 0.000 1.025 61 Y CB 1.921 40.419 38.460 0.064 0.000 1.263 61 Y HN 0.932 nan 8.280 nan 0.000 0.454 62 A N 2.236 125.060 122.820 0.006 0.000 2.440 62 A HA 0.619 4.939 4.320 -0.000 0.000 0.251 62 A C 0.018 177.638 177.584 0.059 0.000 1.089 62 A CA 0.001 52.019 52.037 -0.031 0.000 0.779 62 A CB -0.075 18.806 19.000 -0.199 0.000 1.022 62 A HN 1.124 nan 8.150 nan 0.000 0.492 63 V N 0.936 120.942 119.914 0.153 0.000 3.156 63 V HA 0.950 5.070 4.120 -0.000 0.000 0.310 63 V C -0.643 175.582 176.094 0.218 0.000 1.234 63 V CA -1.291 61.129 62.300 0.199 0.000 1.065 63 V CB 1.903 33.603 31.823 -0.205 0.000 1.088 63 V HN 0.978 nan 8.190 nan 0.000 0.451 64 R N 0.689 121.241 120.500 0.087 0.000 2.854 64 R HA 0.642 4.982 4.340 -0.000 0.000 0.271 64 R C 0.778 177.037 176.300 -0.068 0.000 0.996 64 R CA -0.724 55.354 56.100 -0.038 0.000 0.961 64 R CB 1.632 31.845 30.300 -0.145 0.000 1.182 64 R HN 0.689 nan 8.270 nan 0.000 0.479 65 L N 0.896 122.079 121.223 -0.066 0.000 2.056 65 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 65 L C 2.137 178.976 176.870 -0.052 0.000 1.078 65 L CA 1.977 56.780 54.840 -0.061 0.000 0.749 65 L CB -0.662 41.369 42.059 -0.048 0.000 0.901 65 L HN 0.910 nan 8.230 nan 0.000 0.433 66 A N -0.154 122.633 122.820 -0.056 0.000 1.972 66 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 66 A C 1.802 179.366 177.584 -0.033 0.000 1.169 66 A CA 1.715 53.724 52.037 -0.046 0.000 0.635 66 A CB -0.356 18.610 19.000 -0.058 0.000 0.810 66 A HN 0.377 nan 8.150 nan 0.000 0.446 67 D N 0.245 120.624 120.400 -0.034 0.000 2.087 67 D HA -0.106 4.534 4.640 -0.000 0.000 0.210 67 D C 2.019 178.331 176.300 0.020 0.000 0.973 67 D CA 0.955 54.956 54.000 0.003 0.000 0.882 67 D CB -0.575 40.243 40.800 0.031 0.000 1.019 67 D HN 0.201 nan 8.370 nan 0.000 0.450 68 I N 1.593 122.165 120.570 0.003 0.000 2.404 68 I HA -0.413 3.757 4.170 -0.000 0.000 0.236 68 I C 2.413 178.546 176.117 0.027 0.000 0.953 68 I CA 1.853 63.155 61.300 0.005 0.000 1.253 68 I CB -1.418 36.521 38.000 -0.101 0.000 0.960 68 I HN 0.004 nan 8.210 nan 0.000 0.402 69 A N 0.969 123.789 122.820 0.000 0.000 1.842 69 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 69 A C 2.429 180.021 177.584 0.014 0.000 1.206 69 A CA 3.798 55.836 52.037 0.002 0.000 0.630 69 A CB -1.335 17.659 19.000 -0.010 0.000 0.839 69 A HN 0.682 nan 8.150 nan 0.000 0.447 70 S N -1.398 114.309 115.700 0.012 0.000 2.320 70 S HA -0.053 4.417 4.470 -0.000 0.000 0.320 70 S C 1.780 176.394 174.600 0.023 0.000 1.090 70 S CA 3.032 61.241 58.200 0.015 0.000 1.631 70 S CB -1.287 61.923 63.200 0.017 0.000 1.389 70 S HN 2.217 nan 8.310 nan 0.000 0.474 71 G N 1.076 109.898 108.800 0.037 0.000 4.003 71 G HA2 0.038 3.998 3.960 -0.000 0.000 0.204 71 G HA3 0.038 3.998 3.960 -0.000 0.000 0.204 71 G C -0.010 174.916 174.900 0.042 0.000 1.077 71 G CA 0.411 45.535 45.100 0.040 0.000 0.872 71 G HN 1.002 nan 8.290 nan 0.000 0.350 72 Q N 2.516 122.333 119.800 0.029 0.000 2.492 72 Q HA 0.474 4.814 4.340 -0.000 0.000 0.238 72 Q C -2.265 173.743 176.000 0.014 0.000 1.045 72 Q CA -0.855 54.956 55.803 0.014 0.000 0.934 72 Q CB -0.013 28.728 28.738 0.006 0.000 1.276 72 Q HN 0.264 nan 8.270 nan 0.000 0.521 73 P HA 0.155 nan 4.420 nan 0.000 0.278 73 P C -1.030 176.246 177.300 -0.039 0.000 1.268 73 P CA -0.037 63.019 63.100 -0.075 0.000 0.813 73 P CB 0.154 31.791 31.700 -0.105 0.000 1.180 74 L N -6.913 114.261 121.223 -0.081 0.000 2.830 74 L HA 0.502 4.842 4.340 -0.000 0.000 0.259 74 L C -3.003 173.829 176.870 -0.064 0.000 0.926 74 L CA -1.969 52.858 54.840 -0.022 0.000 0.993 74 L CB 0.584 42.688 42.059 0.075 0.000 1.589 74 L HN 0.123 nan 8.230 nan 0.000 0.460 75 P HA 0.209 nan 4.420 nan 0.000 0.287 75 P C 0.048 177.311 177.300 -0.062 0.000 1.282 75 P CA 0.006 63.080 63.100 -0.044 0.000 0.804 75 P CB 0.312 32.010 31.700 -0.004 0.000 1.323 76 V N -4.373 115.505 119.914 -0.059 0.000 3.187 76 V HA 0.341 4.461 4.120 -0.000 0.000 0.402 76 V C 1.300 177.321 176.094 -0.122 0.000 1.457 76 V CA 0.040 62.282 62.300 -0.097 0.000 1.409 76 V CB -0.584 31.199 31.823 -0.067 0.000 1.218 76 V HN 0.551 nan 8.190 nan 0.000 0.595 77 A N 0.569 123.333 122.820 -0.093 0.000 2.236 77 A HA 0.214 4.534 4.320 -0.000 0.000 0.223 77 A C 1.437 178.966 177.584 -0.092 0.000 1.173 77 A CA 2.340 54.350 52.037 -0.045 0.000 0.676 77 A CB -0.405 18.631 19.000 0.060 0.000 0.808 77 A HN 1.462 nan 8.150 nan 0.000 0.486 78 G N -1.920 106.671 108.800 -0.348 0.000 2.393 78 G HA2 0.494 4.454 3.960 -0.000 0.000 0.264 78 G HA3 0.494 4.454 3.960 -0.000 0.000 0.264 78 G C -1.493 173.129 174.900 -0.463 0.000 1.221 78 G CA -0.123 44.802 45.100 -0.292 0.000 0.912 78 G HN 0.740 nan 8.290 nan 0.000 0.483 79 K N -0.879 119.293 120.400 -0.380 0.000 2.562 79 K HA 0.675 4.995 4.320 -0.000 0.000 0.267 79 K C -1.684 174.703 176.600 -0.356 0.000 0.938 79 K CA -0.738 55.264 56.287 -0.476 0.000 0.840 79 K CB 1.747 33.884 32.500 -0.606 0.000 1.390 79 K HN 0.589 nan 8.250 nan 0.000 0.428 80 S N 2.138 117.600 115.700 -0.397 0.000 2.438 80 S HA 0.571 5.041 4.470 -0.000 0.000 0.316 80 S C -0.960 173.474 174.600 -0.276 0.000 1.084 80 S CA -0.647 57.414 58.200 -0.232 0.000 1.107 80 S CB -0.204 62.908 63.200 -0.146 0.000 0.981 80 S HN 0.435 nan 8.310 nan 0.000 0.466 81 F N 1.977 121.922 119.950 -0.009 0.000 2.403 81 F HA 0.516 5.043 4.527 0.000 0.000 0.326 81 F C 1.707 177.510 175.800 0.006 0.000 1.099 81 F CA -0.653 57.342 58.000 -0.008 0.000 1.036 81 F CB 0.563 39.561 39.000 -0.002 0.000 1.336 81 F HN 0.665 nan 8.300 nan 0.000 0.497 82 A N 0.978 123.966 122.820 0.279 0.000 1.859 82 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 82 A C 2.190 179.844 177.584 0.117 0.000 1.242 82 A CA 2.568 54.697 52.037 0.154 0.000 0.661 82 A CB -1.715 17.345 19.000 0.100 0.000 0.842 82 A HN 0.941 nan 8.150 nan 0.000 0.455 83 G N -1.681 107.176 108.800 0.095 0.000 2.396 83 G HA2 0.045 4.004 3.960 -0.000 0.000 0.214 83 G HA3 0.045 4.004 3.960 -0.000 0.000 0.214 83 G C 1.016 175.956 174.900 0.068 0.000 1.166 83 G CA 0.577 45.714 45.100 0.062 0.000 0.793 83 G HN 0.596 nan 8.290 nan 0.000 0.533 84 Q N 1.581 121.456 119.800 0.125 0.000 2.323 84 Q HA 0.248 4.588 4.340 -0.000 0.000 0.257 84 Q C -2.464 173.598 176.000 0.102 0.000 1.022 84 Q CA -1.811 54.077 55.803 0.141 0.000 0.919 84 Q CB 1.619 30.501 28.738 0.240 0.000 1.220 84 Q HN 0.192 nan 8.270 nan 0.000 0.427 85 P HA 0.045 nan 4.420 nan 0.000 0.300 85 P C -1.594 175.644 177.300 -0.103 0.000 1.326 85 P CA -0.480 62.590 63.100 -0.049 0.000 0.844 85 P CB 0.521 32.185 31.700 -0.059 0.000 0.992 86 Y N 3.739 123.871 120.300 -0.279 0.000 2.480 86 Y HA 0.129 4.678 4.550 -0.000 0.000 0.341 86 Y C 0.679 176.368 175.900 -0.351 0.000 1.031 86 Y CA 0.410 58.371 58.100 -0.230 0.000 1.295 86 Y CB 0.197 38.519 38.460 -0.230 0.000 1.162 86 Y HN 0.440 nan 8.280 nan 0.000 0.523 87 H N 4.733 123.508 119.070 -0.491 0.000 2.469 87 H HA 0.240 4.796 4.556 -0.000 0.000 0.286 87 H C 0.844 175.852 175.328 -0.533 0.000 1.106 87 H CA 0.224 56.052 56.048 -0.367 0.000 1.055 87 H CB 0.202 29.854 29.762 -0.184 0.000 1.618 87 H HN 0.892 nan 8.280 nan 0.000 0.559 88 G N 0.694 108.776 108.800 -1.197 0.000 2.553 88 G HA2 0.076 4.035 3.960 -0.000 0.000 0.278 88 G HA3 0.076 4.035 3.960 -0.000 0.000 0.278 88 G C 0.663 175.491 174.900 -0.121 0.000 1.349 88 G CA -0.283 44.377 45.100 -0.733 0.000 1.037 88 G HN 0.152 nan 8.290 nan 0.000 0.508 89 E N -1.951 118.331 120.200 0.137 0.000 2.112 89 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 89 E C 0.436 177.256 176.600 0.367 0.000 0.979 89 E CA 0.194 56.714 56.400 0.199 0.000 0.814 89 E CB 0.037 29.825 29.700 0.146 0.000 0.762 89 E HN 0.427 nan 8.360 nan 0.000 0.460 90 W N 2.235 123.689 121.300 0.257 0.000 3.957 90 W HA -0.136 4.524 4.660 -0.000 0.000 0.440 90 W C -2.496 174.079 176.519 0.093 0.000 1.792 90 W CA -0.447 57.011 57.345 0.189 0.000 0.635 90 W CB -1.488 28.091 29.460 0.199 0.000 2.887 90 W HN 0.068 nan 8.180 nan 0.000 0.739 91 P HA 0.630 nan 4.420 nan 0.000 0.279 91 P C -0.303 177.042 177.300 0.075 0.000 1.276 91 P CA 0.032 63.214 63.100 0.138 0.000 0.801 91 P CB 0.579 32.359 31.700 0.132 0.000 1.127 92 A N -0.508 122.313 122.820 0.002 0.000 2.371 92 A HA 0.504 4.824 4.320 -0.000 0.000 0.257 92 A C 1.218 178.819 177.584 0.028 0.000 1.089 92 A CA 0.236 52.252 52.037 -0.035 0.000 0.794 92 A CB -1.179 17.793 19.000 -0.047 0.000 1.029 92 A HN 0.894 nan 8.150 nan 0.000 0.488 93 G N 0.667 109.485 108.800 0.030 0.000 2.225 93 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.267 93 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.267 93 G C 0.482 175.447 174.900 0.108 0.000 1.024 93 G CA 1.599 46.737 45.100 0.062 0.000 0.784 93 G HN 2.212 nan 8.290 nan 0.000 0.507 94 T N -3.336 111.329 114.554 0.185 0.000 2.633 94 T HA 0.827 5.177 4.350 -0.000 0.000 0.262 94 T C 0.404 175.326 174.700 0.370 0.000 0.920 94 T CA 0.273 62.505 62.100 0.221 0.000 1.062 94 T CB 2.356 71.354 68.868 0.217 0.000 1.390 94 T HN 1.983 nan 8.240 nan 0.000 0.549 95 C N -0.182 119.247 119.300 0.215 0.000 3.275 95 C HA 0.793 5.253 4.460 -0.000 0.000 0.340 95 C C -2.111 172.658 174.990 -0.368 0.000 1.366 95 C CA -1.053 58.005 59.018 0.067 0.000 1.227 95 C CB 0.406 28.244 27.740 0.164 0.000 1.512 95 C HN 0.947 nan 8.230 nan 0.000 0.461 96 I N 2.459 122.699 120.570 -0.550 0.000 2.447 96 I HA 0.480 4.650 4.170 -0.000 0.000 0.287 96 I C 0.193 176.120 176.117 -0.317 0.000 1.023 96 I CA -0.116 60.763 61.300 -0.702 0.000 1.083 96 I CB 1.494 38.759 38.000 -1.226 0.000 1.245 96 I HN 1.013 nan 8.210 nan 0.000 0.434 97 R N 6.400 126.777 120.500 -0.206 0.000 2.590 97 R HA 0.556 4.896 4.340 -0.000 0.000 0.274 97 R C -1.198 174.868 176.300 -0.391 0.000 1.061 97 R CA 0.261 56.237 56.100 -0.206 0.000 1.081 97 R CB 0.913 31.105 30.300 -0.179 0.000 0.984 97 R HN 0.691 nan 8.270 nan 0.000 0.448 98 I N 4.811 125.152 120.570 -0.381 0.000 2.571 98 I HA 0.202 4.372 4.170 -0.000 0.000 0.289 98 I C -0.506 175.488 176.117 -0.205 0.000 1.115 98 I CA -1.117 60.014 61.300 -0.283 0.000 1.045 98 I CB 1.900 39.786 38.000 -0.190 0.000 1.238 98 I HN 0.836 nan 8.210 nan 0.000 0.424 99 M N 4.607 124.138 119.600 -0.114 0.000 1.800 99 M HA 0.263 4.743 4.480 -0.000 0.000 0.119 99 M C 0.279 176.578 176.300 -0.001 0.000 0.959 99 M CA 0.886 56.193 55.300 0.013 0.000 0.905 99 M CB 0.115 32.820 32.600 0.176 0.000 0.724 99 M HN 0.565 nan 8.290 nan 0.000 0.458 100 T N -1.210 113.365 114.554 0.035 0.000 2.893 100 T HA 0.524 4.874 4.350 -0.000 0.000 0.291 100 T C 0.270 175.001 174.700 0.051 0.000 1.028 100 T CA 0.034 62.149 62.100 0.026 0.000 0.995 100 T CB 0.810 69.687 68.868 0.015 0.000 1.051 100 T HN 0.974 nan 8.240 nan 0.000 0.470 101 G N 2.249 111.077 108.800 0.047 0.000 2.180 101 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.263 101 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.263 101 G C 0.400 175.404 174.900 0.173 0.000 0.989 101 G CA 0.413 45.560 45.100 0.078 0.000 0.692 101 G HN 1.276 nan 8.290 nan 0.000 0.526 102 A N 0.509 123.411 122.820 0.136 0.000 2.388 102 A HA 0.693 5.013 4.320 -0.000 0.000 0.257 102 A C -1.450 176.268 177.584 0.224 0.000 1.095 102 A CA -1.034 51.094 52.037 0.152 0.000 0.791 102 A CB 0.571 19.603 19.000 0.054 0.000 1.029 102 A HN 0.179 nan 8.150 nan 0.000 0.489 103 P HA 0.126 nan 4.420 nan 0.000 0.267 103 P C -0.297 177.074 177.300 0.119 0.000 1.200 103 P CA -0.047 63.226 63.100 0.288 0.000 0.772 103 P CB 0.564 32.224 31.700 -0.067 0.000 0.855 104 V N 5.417 125.421 119.914 0.150 0.000 2.546 104 V HA 0.287 4.407 4.120 -0.000 0.000 0.284 104 V C -1.735 174.407 176.094 0.080 0.000 1.050 104 V CA -1.936 60.414 62.300 0.084 0.000 0.981 104 V CB 0.974 32.856 31.823 0.099 0.000 0.990 104 V HN 0.605 nan 8.190 nan 0.000 0.474 105 P HA 0.142 nan 4.420 nan 0.000 0.274 105 P C -0.489 176.977 177.300 0.277 0.000 1.237 105 P CA -0.454 62.722 63.100 0.127 0.000 0.793 105 P CB 0.546 32.278 31.700 0.053 0.000 0.977 106 E N 0.269 120.626 120.200 0.261 0.000 2.417 106 E HA 0.211 4.561 4.350 -0.000 0.000 0.261 106 E C 0.975 177.714 176.600 0.233 0.000 1.000 106 E CA 0.781 57.308 56.400 0.211 0.000 0.919 106 E CB -0.647 29.148 29.700 0.157 0.000 0.955 106 E HN 0.781 nan 8.360 nan 0.000 0.455 107 G N 3.342 112.218 108.800 0.128 0.000 2.217 107 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.246 107 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.246 107 G C 0.411 175.345 174.900 0.057 0.000 0.990 107 G CA -0.056 45.044 45.100 0.002 0.000 0.627 107 G HN 0.785 nan 8.290 nan 0.000 0.522 108 C N 1.853 121.338 119.300 0.308 0.000 2.634 108 C HA 0.527 4.987 4.460 -0.000 0.000 0.418 108 C C 1.495 176.577 174.990 0.155 0.000 1.373 108 C CA 0.972 60.214 59.018 0.374 0.000 1.756 108 C CB -0.128 27.799 27.740 0.311 0.000 2.589 108 C HN 0.562 nan 8.230 nan 0.000 0.602 109 E N 3.800 124.065 120.200 0.108 0.000 2.630 109 E HA 0.477 4.827 4.350 -0.000 0.000 0.218 109 E C 0.040 176.655 176.600 0.025 0.000 0.977 109 E CA 0.227 56.650 56.400 0.038 0.000 1.038 109 E CB 0.508 30.204 29.700 -0.006 0.000 1.051 109 E HN 0.852 nan 8.360 nan 0.000 0.487 110 A N 0.256 123.100 122.820 0.040 0.000 2.517 110 A HA 0.479 4.799 4.320 -0.000 0.000 0.296 110 A C -1.668 175.923 177.584 0.012 0.000 0.983 110 A CA -0.628 51.415 52.037 0.009 0.000 0.634 110 A CB 0.968 19.953 19.000 -0.025 0.000 1.341 110 A HN -0.010 nan 8.150 nan 0.000 0.438 111 V N -0.058 119.856 119.914 -0.000 0.000 2.962 111 V HA 0.760 4.880 4.120 -0.000 0.000 0.313 111 V C -0.675 175.422 176.094 0.005 0.000 1.099 111 V CA -0.656 61.647 62.300 0.006 0.000 0.971 111 V CB 1.996 33.824 31.823 0.010 0.000 1.028 111 V HN 1.046 nan 8.190 nan 0.000 0.430 112 V N 4.111 124.052 119.914 0.045 0.000 2.604 112 V HA 0.447 4.567 4.120 -0.000 0.000 0.305 112 V C 0.202 176.375 176.094 0.132 0.000 1.043 112 V CA -0.598 61.758 62.300 0.093 0.000 0.888 112 V CB 1.968 33.867 31.823 0.126 0.000 0.995 112 V HN 0.893 nan 8.190 nan 0.000 0.429 113 M N 3.022 122.679 119.600 0.094 0.000 2.245 113 M HA -0.016 4.464 4.480 -0.000 0.000 0.335 113 M C 1.341 177.700 176.300 0.098 0.000 1.155 113 M CA 0.628 55.969 55.300 0.068 0.000 1.055 113 M CB 0.301 32.934 32.600 0.056 0.000 1.670 113 M HN 0.725 nan 8.290 nan 0.000 0.447 114 Q N 1.319 121.142 119.800 0.039 0.000 2.297 114 Q HA -0.190 4.150 4.340 -0.000 0.000 0.208 114 Q C 1.264 177.307 176.000 0.071 0.000 0.981 114 Q CA 1.373 57.199 55.803 0.038 0.000 0.876 114 Q CB 0.225 28.943 28.738 -0.034 0.000 0.921 114 Q HN 0.586 nan 8.270 nan 0.000 0.446 115 E N -0.285 119.950 120.200 0.058 0.000 2.435 115 E HA -0.126 4.223 4.350 -0.000 0.000 0.195 115 E C 0.382 177.021 176.600 0.065 0.000 1.029 115 E CA 0.482 56.913 56.400 0.051 0.000 0.865 115 E CB 0.088 29.809 29.700 0.035 0.000 0.833 115 E HN 0.537 nan 8.360 nan 0.000 0.510 116 Q N 1.427 121.285 119.800 0.095 0.000 2.225 116 Q HA 0.140 4.479 4.340 -0.000 0.000 0.259 116 Q C -0.076 176.002 176.000 0.130 0.000 0.872 116 Q CA 0.004 55.871 55.803 0.107 0.000 1.042 116 Q CB 0.528 29.338 28.738 0.121 0.000 1.142 116 Q HN 0.172 nan 8.270 nan 0.000 0.463 117 T N -2.079 112.534 114.554 0.098 0.000 2.900 117 T HA 0.517 4.867 4.350 -0.000 0.000 0.295 117 T C -0.888 173.804 174.700 -0.014 0.000 1.044 117 T CA -0.943 61.170 62.100 0.022 0.000 0.995 117 T CB 2.343 71.247 68.868 0.060 0.000 1.072 117 T HN 0.281 nan 8.240 nan 0.000 0.473 118 E N 2.062 122.212 120.200 -0.083 0.000 2.222 118 E HA 0.489 4.839 4.350 -0.000 0.000 0.267 118 E C -0.551 175.982 176.600 -0.112 0.000 0.884 118 E CA -0.963 55.397 56.400 -0.067 0.000 0.764 118 E CB 1.820 31.488 29.700 -0.052 0.000 1.169 118 E HN 0.505 nan 8.360 nan 0.000 0.413 119 Q N 2.618 122.373 119.800 -0.074 0.000 2.492 119 Q HA 0.248 4.588 4.340 -0.000 0.000 0.238 119 Q C -0.827 175.118 176.000 -0.092 0.000 1.045 119 Q CA 0.363 56.114 55.803 -0.087 0.000 0.934 119 Q CB 0.764 29.478 28.738 -0.040 0.000 1.276 119 Q HN 0.638 nan 8.270 nan 0.000 0.521 120 M N 1.539 121.081 119.600 -0.096 0.000 2.520 120 M HA 0.162 4.642 4.480 -0.000 0.000 0.283 120 M C 0.097 176.362 176.300 -0.059 0.000 1.237 120 M CA -0.639 54.615 55.300 -0.075 0.000 0.885 120 M CB 1.564 34.111 32.600 -0.089 0.000 1.727 120 M HN 0.834 nan 8.290 nan 0.000 0.468 121 D N 1.505 121.881 120.400 -0.041 0.000 2.218 121 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 121 D C 0.498 176.778 176.300 -0.033 0.000 1.007 121 D CA 2.066 56.048 54.000 -0.031 0.000 0.879 121 D CB -0.472 40.314 40.800 -0.023 0.000 0.918 121 D HN 0.706 nan 8.370 nan 0.000 0.449 122 N N 0.195 118.869 118.700 -0.043 0.000 2.389 122 N HA 0.296 5.036 4.740 -0.000 0.000 0.260 122 N C 0.963 176.436 175.510 -0.062 0.000 1.191 122 N CA 0.185 53.211 53.050 -0.041 0.000 0.885 122 N CB 0.717 39.184 38.487 -0.032 0.000 1.162 122 N HN 0.405 nan 8.380 nan 0.000 0.512 123 G N -0.486 108.264 108.800 -0.083 0.000 2.501 123 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.213 123 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.213 123 G C -1.711 173.066 174.900 -0.206 0.000 1.158 123 G CA -0.231 44.791 45.100 -0.129 0.000 1.079 123 G HN 0.330 nan 8.290 nan 0.000 0.586 124 V N 1.257 120.982 119.914 -0.315 0.000 2.638 124 V HA 0.817 4.937 4.120 -0.000 0.000 0.306 124 V C 0.032 175.727 176.094 -0.666 0.000 1.052 124 V CA -0.964 61.017 62.300 -0.532 0.000 0.885 124 V CB 1.712 33.028 31.823 -0.845 0.000 0.999 124 V HN 0.887 nan 8.190 nan 0.000 0.424 125 R N 2.729 122.865 120.500 -0.606 0.000 2.514 125 R HA 0.568 4.907 4.340 -0.000 0.000 0.301 125 R C -1.717 174.225 176.300 -0.597 0.000 0.962 125 R CA -0.811 55.001 56.100 -0.481 0.000 0.882 125 R CB 1.405 31.577 30.300 -0.214 0.000 1.143 125 R HN 0.581 nan 8.270 nan 0.000 0.452 126 F N 2.572 122.502 119.950 -0.033 0.000 2.332 126 F HA 0.160 4.687 4.527 -0.000 0.000 0.368 126 F C 1.873 177.673 175.800 0.000 0.000 1.110 126 F CA -0.478 57.516 58.000 -0.010 0.000 1.087 126 F CB 1.686 40.684 39.000 -0.004 0.000 1.235 126 F HN 0.578 nan 8.300 nan 0.000 0.470 127 T N 0.143 114.776 114.554 0.130 0.000 2.684 127 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 127 T C 1.058 175.809 174.700 0.086 0.000 1.036 127 T CA 1.022 63.169 62.100 0.080 0.000 1.148 127 T CB -0.104 68.797 68.868 0.056 0.000 0.863 127 T HN 0.498 nan 8.240 nan 0.000 0.436 128 A N 0.726 123.607 122.820 0.101 0.000 2.452 128 A HA 0.664 4.984 4.320 -0.000 0.000 0.285 128 A C 0.007 177.628 177.584 0.062 0.000 1.209 128 A CA -0.831 51.248 52.037 0.070 0.000 0.940 128 A CB 0.580 19.616 19.000 0.060 0.000 1.440 128 A HN 0.478 nan 8.150 nan 0.000 0.480 129 E N -0.958 119.264 120.200 0.037 0.000 2.390 129 E HA 0.435 4.785 4.350 -0.000 0.000 0.261 129 E C -1.329 175.274 176.600 0.006 0.000 1.076 129 E CA -0.104 56.307 56.400 0.020 0.000 0.905 129 E CB 0.736 30.443 29.700 0.012 0.000 0.984 129 E HN 0.283 nan 8.360 nan 0.000 0.427 130 V N 5.143 125.047 119.914 -0.017 0.000 2.376 130 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 130 V C -0.133 175.943 176.094 -0.030 0.000 1.015 130 V CA -0.736 61.539 62.300 -0.041 0.000 0.834 130 V CB 1.359 33.123 31.823 -0.097 0.000 1.001 130 V HN 0.633 nan 8.190 nan 0.000 0.428 131 R N 2.381 122.868 120.500 -0.021 0.000 2.349 131 R HA 0.389 4.729 4.340 -0.000 0.000 0.299 131 R C 0.495 176.784 176.300 -0.018 0.000 1.027 131 R CA -0.149 55.941 56.100 -0.016 0.000 0.958 131 R CB 1.846 32.141 30.300 -0.008 0.000 1.047 131 R HN 0.776 nan 8.270 nan 0.000 0.468 132 S N 1.075 116.765 115.700 -0.017 0.000 2.558 132 S HA 0.063 4.533 4.470 -0.000 0.000 0.293 132 S C 1.336 175.931 174.600 -0.010 0.000 1.292 132 S CA 1.231 59.422 58.200 -0.015 0.000 1.063 132 S CB 0.249 63.441 63.200 -0.013 0.000 0.831 132 S HN 0.837 nan 8.310 nan 0.000 0.499 133 G N 2.776 111.573 108.800 -0.005 0.000 2.257 133 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 133 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 133 G C 0.204 175.103 174.900 -0.001 0.000 0.984 133 G CA 0.638 45.737 45.100 0.000 0.000 0.626 133 G HN 1.297 nan 8.290 nan 0.000 0.540 134 Q N 0.598 120.395 119.800 -0.005 0.000 2.348 134 Q HA 0.037 4.377 4.340 -0.000 0.000 0.331 134 Q C 0.954 176.953 176.000 -0.001 0.000 1.099 134 Q CA 1.265 57.065 55.803 -0.004 0.000 1.021 134 Q CB -0.014 28.720 28.738 -0.007 0.000 1.166 134 Q HN 0.482 nan 8.270 nan 0.000 0.393 135 N N 1.511 120.210 118.700 -0.001 0.000 2.753 135 N HA -0.200 4.540 4.740 -0.000 0.000 0.251 135 N C -1.216 174.293 175.510 -0.001 0.000 1.097 135 N CA 1.413 54.462 53.050 -0.001 0.000 0.786 135 N CB -1.152 37.336 38.487 0.003 0.000 1.137 135 N HN 0.611 nan 8.380 nan 0.000 0.566 136 I N 1.507 122.077 120.570 -0.001 0.000 2.347 136 I HA 0.151 4.321 4.170 -0.000 0.000 0.283 136 I C 0.312 176.421 176.117 -0.014 0.000 1.058 136 I CA -0.667 60.633 61.300 0.000 0.000 1.202 136 I CB 0.690 38.698 38.000 0.013 0.000 1.386 136 I HN -0.175 nan 8.210 nan 0.000 0.475 137 R N 5.150 125.632 120.500 -0.029 0.000 2.473 137 R HA 0.097 4.437 4.340 -0.000 0.000 0.315 137 R C -0.094 176.168 176.300 -0.063 0.000 0.972 137 R CA -0.069 56.000 56.100 -0.052 0.000 1.047 137 R CB -0.015 30.239 30.300 -0.076 0.000 0.932 137 R HN 0.471 nan 8.270 nan 0.000 0.411 138 R N 1.664 122.133 120.500 -0.053 0.000 2.407 138 R HA 0.130 4.470 4.340 -0.000 0.000 0.303 138 R C 0.096 176.361 176.300 -0.059 0.000 0.981 138 R CA -0.718 55.358 56.100 -0.040 0.000 0.905 138 R CB 1.004 31.291 30.300 -0.021 0.000 1.099 138 R HN 0.463 nan 8.270 nan 0.000 0.459 139 R N 2.197 122.667 120.500 -0.049 0.000 2.507 139 R HA 0.064 4.404 4.340 -0.000 0.000 0.341 139 R C 0.154 176.435 176.300 -0.033 0.000 0.960 139 R CA 1.505 57.575 56.100 -0.050 0.000 1.032 139 R CB -0.418 29.882 30.300 0.001 0.000 0.933 139 R HN 0.866 nan 8.270 nan 0.000 0.418 140 G N 3.367 112.139 108.800 -0.046 0.000 2.184 140 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.206 140 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.206 140 G C 0.489 175.366 174.900 -0.037 0.000 0.995 140 G CA 0.235 45.315 45.100 -0.034 0.000 0.651 140 G HN 0.778 nan 8.290 nan 0.000 0.511 141 E N 0.054 120.228 120.200 -0.043 0.000 2.347 141 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 141 E C 1.222 177.799 176.600 -0.039 0.000 1.008 141 E CA 1.253 57.630 56.400 -0.038 0.000 0.852 141 E CB -0.013 29.665 29.700 -0.037 0.000 0.783 141 E HN 0.371 nan 8.360 nan 0.000 0.505 142 D N 0.378 120.750 120.400 -0.046 0.000 2.463 142 D HA 0.268 4.908 4.640 -0.000 0.000 0.237 142 D C 0.501 176.770 176.300 -0.052 0.000 1.013 142 D CA 0.396 54.368 54.000 -0.046 0.000 0.910 142 D CB 1.046 41.817 40.800 -0.048 0.000 1.080 142 D HN 0.138 nan 8.370 nan 0.000 0.498 143 I N 0.777 121.316 120.570 -0.052 0.000 2.607 143 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 143 I C -0.926 175.164 176.117 -0.044 0.000 1.129 143 I CA -0.560 60.706 61.300 -0.057 0.000 1.042 143 I CB 2.386 40.349 38.000 -0.060 0.000 1.242 143 I HN -0.257 nan 8.210 nan 0.000 0.421 144 S N 4.419 120.093 115.700 -0.043 0.000 2.525 144 S HA 0.668 5.138 4.470 -0.000 0.000 0.278 144 S C 0.209 174.793 174.600 -0.027 0.000 1.234 144 S CA -0.800 57.382 58.200 -0.030 0.000 1.058 144 S CB 1.694 64.878 63.200 -0.027 0.000 0.983 144 S HN 0.695 nan 8.310 nan 0.000 0.495 145 A N 1.950 124.761 122.820 -0.015 0.000 2.511 145 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 145 A C 1.517 179.095 177.584 -0.010 0.000 1.069 145 A CA 0.211 52.243 52.037 -0.009 0.000 0.763 145 A CB -1.037 17.964 19.000 0.002 0.000 1.001 145 A HN 2.103 nan 8.150 nan 0.000 0.498 146 G N 0.382 109.176 108.800 -0.010 0.000 2.175 146 G HA2 0.170 4.130 3.960 -0.000 0.000 0.244 146 G HA3 0.170 4.130 3.960 -0.000 0.000 0.244 146 G C 0.468 175.358 174.900 -0.018 0.000 0.982 146 G CA 0.412 45.506 45.100 -0.010 0.000 0.641 146 G HN 2.193 nan 8.290 nan 0.000 0.527 147 A N 0.157 122.960 122.820 -0.029 0.000 2.306 147 A HA 0.765 5.084 4.320 -0.000 0.000 0.314 147 A C 0.501 178.050 177.584 -0.058 0.000 1.164 147 A CA -0.075 51.937 52.037 -0.042 0.000 0.822 147 A CB 1.457 20.426 19.000 -0.050 0.000 1.130 147 A HN 1.126 nan 8.150 nan 0.000 0.496 148 V N 3.777 123.657 119.914 -0.057 0.000 2.485 148 V HA 0.029 4.149 4.120 -0.000 0.000 0.287 148 V C 1.195 177.207 176.094 -0.138 0.000 1.022 148 V CA 0.305 62.565 62.300 -0.066 0.000 1.067 148 V CB 0.742 32.540 31.823 -0.041 0.000 0.967 148 V HN 0.733 nan 8.190 nan 0.000 0.479 149 V N 5.072 124.867 119.914 -0.198 0.000 2.492 149 V HA 0.218 4.338 4.120 -0.000 0.000 0.241 149 V C 0.292 175.920 176.094 -0.776 0.000 1.041 149 V CA 1.007 63.031 62.300 -0.461 0.000 1.057 149 V CB -0.104 31.457 31.823 -0.438 0.000 0.711 149 V HN 0.666 nan 8.190 nan 0.000 0.468 150 F N 1.585 121.531 119.950 -0.008 0.000 2.539 150 F HA 0.533 5.060 4.527 -0.000 0.000 0.318 150 F C -2.575 173.219 175.800 -0.011 0.000 1.135 150 F CA -2.449 55.544 58.000 -0.011 0.000 0.915 150 F CB 2.195 41.186 39.000 -0.015 0.000 1.176 150 F HN -0.074 nan 8.300 nan 0.000 0.440 151 P HA 0.180 nan 4.420 nan 0.000 0.274 151 P C -0.725 176.624 177.300 0.082 0.000 1.231 151 P CA -0.323 62.832 63.100 0.092 0.000 0.790 151 P CB 1.018 32.757 31.700 0.064 0.000 0.951 152 A N 1.466 124.316 122.820 0.049 0.000 2.548 152 A HA 0.397 4.717 4.320 -0.000 0.000 0.247 152 A C 1.414 179.009 177.584 0.019 0.000 1.067 152 A CA 0.883 52.938 52.037 0.031 0.000 0.757 152 A CB -1.631 17.383 19.000 0.022 0.000 0.996 152 A HN 0.909 nan 8.150 nan 0.000 0.504 153 G N 2.030 110.832 108.800 0.004 0.000 2.163 153 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.213 153 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.213 153 G C 0.319 175.206 174.900 -0.023 0.000 0.991 153 G CA 0.201 45.295 45.100 -0.010 0.000 0.653 153 G HN 1.105 nan 8.290 nan 0.000 0.518 154 T N 1.747 116.287 114.554 -0.023 0.000 2.737 154 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 154 T C 0.720 175.350 174.700 -0.116 0.000 0.922 154 T CA -0.237 61.828 62.100 -0.058 0.000 1.079 154 T CB 0.848 69.689 68.868 -0.044 0.000 0.892 154 T HN 0.400 nan 8.240 nan 0.000 0.514 155 R N 4.051 124.474 120.500 -0.128 0.000 2.442 155 R HA 0.212 4.552 4.340 -0.000 0.000 0.291 155 R C -0.485 175.662 176.300 -0.255 0.000 1.069 155 R CA -0.224 55.771 56.100 -0.174 0.000 1.022 155 R CB 0.244 30.451 30.300 -0.156 0.000 0.976 155 R HN 0.580 nan 8.270 nan 0.000 0.443 156 L N 4.895 125.931 121.223 -0.311 0.000 2.275 156 L HA 0.349 4.689 4.340 -0.000 0.000 0.288 156 L C 0.589 177.150 176.870 -0.515 0.000 1.046 156 L CA -0.467 54.153 54.840 -0.368 0.000 0.805 156 L CB 1.502 43.390 42.059 -0.286 0.000 1.193 156 L HN 0.819 nan 8.230 nan 0.000 0.426 157 T N -2.474 111.838 114.554 -0.402 0.000 2.693 157 T HA 0.219 4.568 4.350 -0.000 0.000 0.278 157 T C 1.029 175.700 174.700 -0.048 0.000 0.994 157 T CA -0.437 61.449 62.100 -0.356 0.000 1.033 157 T CB 1.310 70.041 68.868 -0.229 0.000 1.342 157 T HN 0.427 nan 8.240 nan 0.000 0.538 158 T N 0.986 115.638 114.554 0.163 0.000 2.822 158 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 158 T C 2.237 176.963 174.700 0.044 0.000 1.064 158 T CA 1.574 63.745 62.100 0.120 0.000 1.131 158 T CB -0.906 68.044 68.868 0.137 0.000 0.858 158 T HN 0.777 nan 8.240 nan 0.000 0.483 159 A N 1.766 124.593 122.820 0.011 0.000 1.851 159 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 159 A C 2.252 179.826 177.584 -0.016 0.000 1.195 159 A CA 1.746 53.785 52.037 0.004 0.000 0.622 159 A CB -0.427 18.570 19.000 -0.006 0.000 0.831 159 A HN 0.476 nan 8.150 nan 0.000 0.444 160 E N -0.437 119.663 120.200 -0.166 0.000 2.216 160 E HA 0.182 4.532 4.350 -0.000 0.000 0.192 160 E C 1.877 178.365 176.600 -0.187 0.000 0.973 160 E CA 0.253 56.421 56.400 -0.387 0.000 0.851 160 E CB -0.174 28.847 29.700 -1.133 0.000 0.804 160 E HN 0.546 nan 8.360 nan 0.000 0.477 161 L N 0.878 122.024 121.223 -0.127 0.000 2.109 161 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 161 L C -0.734 176.151 176.870 0.025 0.000 1.086 161 L CA 0.945 55.758 54.840 -0.045 0.000 0.760 161 L CB -1.025 41.019 42.059 -0.026 0.000 0.910 161 L HN 0.143 nan 8.230 nan 0.000 0.437 162 P HA -0.114 nan 4.420 nan 0.000 0.218 162 P C 1.907 179.253 177.300 0.076 0.000 1.149 162 P CA 1.006 64.139 63.100 0.055 0.000 0.817 162 P CB 0.096 31.828 31.700 0.052 0.000 0.785 163 V N -0.149 119.833 119.914 0.113 0.000 2.515 163 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 163 V C 2.309 178.494 176.094 0.152 0.000 1.058 163 V CA 1.431 63.822 62.300 0.152 0.000 1.064 163 V CB -0.954 31.026 31.823 0.263 0.000 0.675 163 V HN 0.067 nan 8.190 nan 0.000 0.461 164 I N 0.457 121.128 120.570 0.168 0.000 2.315 164 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 164 I C 2.636 178.803 176.117 0.083 0.000 1.117 164 I CA 1.455 62.837 61.300 0.137 0.000 1.404 164 I CB -0.753 37.317 38.000 0.117 0.000 1.071 164 I HN 0.300 nan 8.210 nan 0.000 0.419 165 A N 1.094 123.955 122.820 0.068 0.000 1.969 165 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 165 A C 2.522 180.138 177.584 0.053 0.000 1.169 165 A CA 1.849 53.918 52.037 0.053 0.000 0.635 165 A CB -0.664 18.364 19.000 0.047 0.000 0.810 165 A HN 0.525 nan 8.150 nan 0.000 0.445 166 S N 0.192 115.928 115.700 0.058 0.000 2.399 166 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 166 S C 1.414 176.043 174.600 0.049 0.000 1.022 166 S CA 1.345 59.576 58.200 0.052 0.000 0.983 166 S CB -0.637 62.593 63.200 0.049 0.000 0.803 166 S HN 0.472 nan 8.310 nan 0.000 0.480 167 L N 1.124 122.378 121.223 0.050 0.000 2.645 167 L HA 0.370 4.710 4.340 -0.000 0.000 0.234 167 L C 1.843 178.739 176.870 0.043 0.000 1.165 167 L CA 0.197 55.063 54.840 0.043 0.000 0.944 167 L CB -0.970 41.114 42.059 0.042 0.000 1.149 167 L HN 0.580 nan 8.230 nan 0.000 0.446 168 G N 0.715 109.541 108.800 0.045 0.000 2.184 168 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.264 168 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.264 168 G C 0.334 175.256 174.900 0.037 0.000 0.975 168 G CA -0.123 45.001 45.100 0.040 0.000 0.642 168 G HN 0.352 nan 8.290 nan 0.000 0.536 169 I N 1.318 121.912 120.570 0.041 0.000 2.396 169 I HA 0.405 4.574 4.170 -0.000 0.000 0.289 169 I C 1.630 177.768 176.117 0.035 0.000 1.056 169 I CA 0.259 61.582 61.300 0.039 0.000 1.365 169 I CB 1.413 39.441 38.000 0.047 0.000 1.407 169 I HN 0.160 nan 8.210 nan 0.000 0.509 170 A N 6.242 129.079 122.820 0.029 0.000 2.081 170 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 170 A C 0.556 178.154 177.584 0.024 0.000 1.158 170 A CA 0.670 52.722 52.037 0.026 0.000 0.724 170 A CB 0.008 19.021 19.000 0.022 0.000 0.826 170 A HN 0.834 nan 8.150 nan 0.000 0.463 171 E N -1.702 118.512 120.200 0.024 0.000 2.429 171 E HA 0.553 4.903 4.350 -0.000 0.000 0.280 171 E C -1.277 175.335 176.600 0.021 0.000 1.068 171 E CA -0.770 55.642 56.400 0.020 0.000 0.837 171 E CB 1.514 31.225 29.700 0.018 0.000 1.357 171 E HN 0.458 nan 8.360 nan 0.000 0.455 172 V N -3.532 116.391 119.914 0.016 0.000 3.048 172 V HA 0.579 4.699 4.120 -0.000 0.000 0.303 172 V C -2.953 173.147 176.094 0.010 0.000 1.214 172 V CA -2.346 59.964 62.300 0.016 0.000 0.984 172 V CB 1.726 33.558 31.823 0.015 0.000 1.054 172 V HN 0.645 nan 8.190 nan 0.000 0.430 173 P HA 0.325 nan 4.420 nan 0.000 0.271 173 P C -0.343 176.959 177.300 0.003 0.000 1.226 173 P CA 0.262 63.368 63.100 0.009 0.000 0.765 173 P CB 1.308 33.015 31.700 0.012 0.000 0.835 174 V N 2.010 121.923 119.914 -0.001 0.000 2.914 174 V HA 0.500 4.620 4.120 -0.000 0.000 0.314 174 V C 0.080 176.172 176.094 -0.003 0.000 1.084 174 V CA -1.425 60.870 62.300 -0.008 0.000 0.963 174 V CB 1.563 33.376 31.823 -0.017 0.000 1.025 174 V HN 0.140 nan 8.190 nan 0.000 0.432 175 I N 3.171 123.737 120.570 -0.006 0.000 2.754 175 I HA 0.290 4.460 4.170 -0.000 0.000 0.285 175 I C 1.152 177.270 176.117 0.001 0.000 1.166 175 I CA 0.357 61.658 61.300 0.000 0.000 1.417 175 I CB 0.470 38.470 38.000 -0.000 0.000 1.382 175 I HN 0.973 nan 8.210 nan 0.000 0.588 176 R N 5.553 126.058 120.500 0.008 0.000 2.679 176 R HA 0.116 4.456 4.340 -0.000 0.000 0.268 176 R C -0.355 175.950 176.300 0.009 0.000 1.044 176 R CA -0.282 55.824 56.100 0.010 0.000 1.105 176 R CB 0.269 30.578 30.300 0.014 0.000 0.989 176 R HN 0.420 nan 8.270 nan 0.000 0.447 177 K N 1.816 122.222 120.400 0.009 0.000 2.469 177 K HA 0.018 4.337 4.320 -0.000 0.000 0.274 177 K C -0.259 176.349 176.600 0.013 0.000 0.983 177 K CA -0.258 56.034 56.287 0.008 0.000 0.974 177 K CB 0.813 33.319 32.500 0.009 0.000 0.913 177 K HN 0.339 nan 8.250 nan 0.000 0.493 178 V N 3.949 123.871 119.914 0.014 0.000 2.655 178 V HA -0.010 4.110 4.120 -0.000 0.000 0.300 178 V C 0.548 176.655 176.094 0.021 0.000 1.044 178 V CA 0.276 62.590 62.300 0.024 0.000 1.095 178 V CB 0.537 32.375 31.823 0.025 0.000 0.952 178 V HN 0.631 nan 8.190 nan 0.000 0.485 179 R N 3.843 124.361 120.500 0.030 0.000 2.255 179 R HA 0.609 4.949 4.340 -0.000 0.000 0.326 179 R C -1.356 174.962 176.300 0.030 0.000 0.986 179 R CA -0.498 55.615 56.100 0.023 0.000 0.847 179 R CB 1.596 31.913 30.300 0.028 0.000 1.111 179 R HN 0.490 nan 8.270 nan 0.000 0.452 180 V N 2.609 122.526 119.914 0.005 0.000 2.447 180 V HA 0.403 4.523 4.120 -0.000 0.000 0.292 180 V C -0.063 176.016 176.094 -0.025 0.000 1.021 180 V CA -0.952 61.349 62.300 0.002 0.000 0.850 180 V CB 1.563 33.381 31.823 -0.008 0.000 1.005 180 V HN 0.899 nan 8.190 nan 0.000 0.426 181 A N 5.746 128.567 122.820 0.002 0.000 2.327 181 A HA 0.864 5.183 4.320 -0.000 0.000 0.283 181 A C -0.679 176.875 177.584 -0.050 0.000 1.127 181 A CA -0.379 51.665 52.037 0.011 0.000 0.810 181 A CB 0.930 19.976 19.000 0.077 0.000 1.066 181 A HN 0.819 nan 8.150 nan 0.000 0.492 182 L N 2.937 124.136 121.223 -0.041 0.000 2.431 182 L HA 0.848 5.188 4.340 -0.000 0.000 0.266 182 L C -1.686 175.177 176.870 -0.011 0.000 0.978 182 L CA -0.658 54.100 54.840 -0.135 0.000 0.822 182 L CB 1.825 43.817 42.059 -0.112 0.000 1.310 182 L HN 0.943 nan 8.230 nan 0.000 0.409 183 F N 1.304 121.221 119.950 -0.054 0.000 2.741 183 F HA 0.762 5.289 4.527 -0.000 0.000 0.311 183 F C -0.982 174.798 175.800 -0.033 0.000 1.149 183 F CA -0.754 57.214 58.000 -0.053 0.000 0.930 183 F CB 1.292 40.232 39.000 -0.100 0.000 1.312 183 F HN 0.413 nan 8.300 nan 0.000 0.450 184 S N 0.072 115.977 115.700 0.342 0.000 2.661 184 S HA 0.911 5.381 4.470 -0.000 0.000 0.285 184 S C -1.121 173.614 174.600 0.224 0.000 1.138 184 S CA -0.178 58.164 58.200 0.237 0.000 0.855 184 S CB 1.999 65.266 63.200 0.112 0.000 1.136 184 S HN 1.425 nan 8.310 nan 0.000 0.484 185 T N -1.026 113.632 114.554 0.173 0.000 2.802 185 T HA 0.741 5.091 4.350 -0.000 0.000 0.311 185 T C -0.593 174.175 174.700 0.112 0.000 1.405 185 T CA 0.467 62.648 62.100 0.135 0.000 1.016 185 T CB 0.919 69.876 68.868 0.148 0.000 1.352 185 T HN 2.516 nan 8.240 nan 0.000 0.498 186 G N 2.014 110.877 108.800 0.105 0.000 2.535 186 G HA2 0.109 4.068 3.960 -0.000 0.000 0.662 186 G HA3 0.109 4.068 3.960 -0.000 0.000 0.662 186 G C -0.091 174.850 174.900 0.070 0.000 1.417 186 G CA -0.077 45.080 45.100 0.095 0.000 0.866 186 G HN 0.643 nan 8.290 nan 0.000 0.647 187 D N 0.625 121.063 120.400 0.063 0.000 2.310 187 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 187 D C 2.043 178.355 176.300 0.021 0.000 0.965 187 D CA 1.519 55.542 54.000 0.039 0.000 0.879 187 D CB 0.257 41.077 40.800 0.034 0.000 0.921 187 D HN 0.703 nan 8.370 nan 0.000 0.510 188 E N 0.045 120.257 120.200 0.020 0.000 2.478 188 E HA 0.023 4.373 4.350 -0.000 0.000 0.198 188 E C 0.530 177.120 176.600 -0.017 0.000 1.046 188 E CA 0.257 56.655 56.400 -0.004 0.000 0.870 188 E CB -0.037 29.663 29.700 0.000 0.000 0.818 188 E HN 0.251 nan 8.360 nan 0.000 0.527 189 L N 1.549 122.777 121.223 0.008 0.000 2.275 189 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 189 L C -0.250 176.634 176.870 0.025 0.000 1.046 189 L CA -0.651 54.200 54.840 0.018 0.000 0.805 189 L CB 1.236 43.321 42.059 0.045 0.000 1.193 189 L HN 0.021 nan 8.230 nan 0.000 0.426 190 Q N 2.237 122.057 119.800 0.034 0.000 2.387 190 Q HA 0.627 4.967 4.340 -0.000 0.000 0.273 190 Q C -1.042 175.095 176.000 0.228 0.000 1.089 190 Q CA -0.507 55.355 55.803 0.098 0.000 0.824 190 Q CB 2.572 31.328 28.738 0.029 0.000 1.367 190 Q HN 0.416 nan 8.270 nan 0.000 0.443 191 L N 2.708 124.038 121.223 0.178 0.000 2.439 191 L HA 0.556 4.896 4.340 -0.000 0.000 0.259 191 L C -1.994 174.951 176.870 0.124 0.000 1.129 191 L CA -2.075 52.844 54.840 0.131 0.000 0.803 191 L CB 0.220 42.311 42.059 0.054 0.000 1.161 191 L HN 0.519 nan 8.230 nan 0.000 0.462 192 P HA -0.061 nan 4.420 nan 0.000 0.265 192 P C 0.784 178.024 177.300 -0.099 0.000 1.167 192 P CA 1.580 64.535 63.100 -0.242 0.000 0.760 192 P CB 0.469 32.057 31.700 -0.185 0.000 0.783 193 G N 1.514 110.248 108.800 -0.109 0.000 2.579 193 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.222 193 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.222 193 G C 0.234 175.167 174.900 0.055 0.000 1.201 193 G CA -0.151 44.936 45.100 -0.021 0.000 0.710 193 G HN 0.598 nan 8.290 nan 0.000 0.516 194 Q N 2.405 122.268 119.800 0.105 0.000 2.474 194 Q HA 0.394 4.733 4.340 -0.000 0.000 0.256 194 Q C -1.839 174.262 176.000 0.168 0.000 1.048 194 Q CA -0.656 55.220 55.803 0.123 0.000 0.922 194 Q CB 0.528 29.336 28.738 0.117 0.000 1.288 194 Q HN 0.434 nan 8.270 nan 0.000 0.484 195 P HA 0.021 nan 4.420 nan 0.000 0.272 195 P C -1.019 176.290 177.300 0.016 0.000 1.230 195 P CA -0.239 62.903 63.100 0.069 0.000 0.788 195 P CB 0.568 32.288 31.700 0.034 0.000 0.949 196 L N 2.245 123.450 121.223 -0.030 0.000 2.352 196 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 196 L C 1.331 178.152 176.870 -0.082 0.000 1.109 196 L CA 0.135 54.888 54.840 -0.146 0.000 0.952 196 L CB -0.302 41.617 42.059 -0.233 0.000 1.314 196 L HN 0.561 nan 8.230 nan 0.000 0.427 197 G N 2.277 111.038 108.800 -0.064 0.000 2.134 197 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.524 197 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.524 197 G C 0.464 175.337 174.900 -0.046 0.000 1.387 197 G CA 0.598 45.673 45.100 -0.041 0.000 1.102 197 G HN 0.630 nan 8.290 nan 0.000 0.569 198 D N -0.236 120.145 120.400 -0.032 0.000 2.041 198 D HA 0.181 4.821 4.640 -0.000 0.000 0.263 198 D C 2.153 178.434 176.300 -0.031 0.000 1.038 198 D CA 0.909 54.894 54.000 -0.025 0.000 0.903 198 D CB -0.817 39.975 40.800 -0.014 0.000 1.013 198 D HN 0.493 nan 8.370 nan 0.000 0.408 199 G N -0.130 108.656 108.800 -0.023 0.000 3.374 199 G HA2 0.013 3.973 3.960 -0.000 0.000 0.252 199 G HA3 0.013 3.973 3.960 -0.000 0.000 0.252 199 G C 0.014 174.893 174.900 -0.036 0.000 1.326 199 G CA -0.165 44.922 45.100 -0.022 0.000 1.133 199 G HN 0.098 nan 8.290 nan 0.000 0.528 200 Q N -0.495 119.266 119.800 -0.065 0.000 2.237 200 Q HA 0.690 5.030 4.340 -0.000 0.000 0.219 200 Q C 0.089 175.998 176.000 -0.151 0.000 0.999 200 Q CA -0.387 55.358 55.803 -0.098 0.000 0.959 200 Q CB 1.915 30.580 28.738 -0.122 0.000 1.173 200 Q HN 0.488 nan 8.270 nan 0.000 0.527 201 I N -3.548 116.909 120.570 -0.187 0.000 3.279 201 I HA 0.451 4.621 4.170 -0.000 0.000 0.315 201 I C -1.494 174.448 176.117 -0.292 0.000 1.225 201 I CA -1.347 59.818 61.300 -0.225 0.000 0.947 201 I CB 1.524 39.479 38.000 -0.075 0.000 1.293 201 I HN 0.454 nan 8.210 nan 0.000 0.468 202 Y N 0.614 120.909 120.300 -0.008 0.000 2.323 202 Y HA 0.360 4.910 4.550 -0.000 0.000 0.331 202 Y C -0.003 175.883 175.900 -0.024 0.000 1.092 202 Y CA -0.367 57.724 58.100 -0.015 0.000 1.150 202 Y CB 1.077 39.524 38.460 -0.022 0.000 1.200 202 Y HN 0.521 nan 8.280 nan 0.000 0.472 203 D N 1.276 121.771 120.400 0.158 0.000 2.383 203 D HA 0.042 4.682 4.640 -0.000 0.000 0.252 203 D C 0.710 177.026 176.300 0.027 0.000 1.166 203 D CA 0.450 54.491 54.000 0.068 0.000 0.879 203 D CB 1.098 41.934 40.800 0.060 0.000 1.164 203 D HN 0.743 nan 8.370 nan 0.000 0.462 204 T N 0.198 114.742 114.554 -0.016 0.000 3.010 204 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 204 T C 1.274 175.906 174.700 -0.114 0.000 0.963 204 T CA -0.283 61.767 62.100 -0.083 0.000 0.952 204 T CB -0.206 68.581 68.868 -0.135 0.000 1.182 204 T HN 0.167 nan 8.240 nan 0.000 0.495 205 N N 1.723 120.376 118.700 -0.078 0.000 2.166 205 N HA 0.055 4.794 4.740 -0.000 0.000 0.186 205 N C 1.886 177.343 175.510 -0.089 0.000 1.019 205 N CA 1.065 54.069 53.050 -0.076 0.000 0.856 205 N CB -0.362 38.111 38.487 -0.024 0.000 0.993 205 N HN 0.431 nan 8.380 nan 0.000 0.426 206 R N 0.520 120.985 120.500 -0.058 0.000 2.070 206 R HA 0.018 4.358 4.340 -0.000 0.000 0.232 206 R C 2.141 178.414 176.300 -0.045 0.000 1.138 206 R CA 0.810 56.882 56.100 -0.047 0.000 0.936 206 R CB -0.528 29.771 30.300 -0.002 0.000 0.839 206 R HN 0.182 nan 8.270 nan 0.000 0.429 207 L N 0.330 121.520 121.223 -0.055 0.000 2.021 207 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 207 L C 2.330 179.149 176.870 -0.085 0.000 1.074 207 L CA 2.013 56.810 54.840 -0.071 0.000 0.760 207 L CB -0.671 41.332 42.059 -0.093 0.000 0.889 207 L HN 0.385 nan 8.230 nan 0.000 0.433 208 A N -0.766 121.980 122.820 -0.124 0.000 1.865 208 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 208 A C 2.176 179.635 177.584 -0.209 0.000 1.191 208 A CA 2.087 54.040 52.037 -0.141 0.000 0.623 208 A CB -0.931 17.983 19.000 -0.144 0.000 0.826 208 A HN 0.334 nan 8.150 nan 0.000 0.444 209 V N -0.294 119.452 119.914 -0.279 0.000 2.343 209 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 209 V C 2.500 178.394 176.094 -0.333 0.000 1.051 209 V CA 2.116 64.114 62.300 -0.504 0.000 1.036 209 V CB -1.077 30.462 31.823 -0.472 0.000 0.654 209 V HN 0.731 nan 8.190 nan 0.000 0.451 210 H N 0.435 119.364 119.070 -0.235 0.000 2.265 210 H HA -0.181 4.375 4.556 -0.000 0.000 0.295 210 H C 2.292 177.535 175.328 -0.141 0.000 1.084 210 H CA 2.461 58.418 56.048 -0.152 0.000 1.261 210 H CB -0.349 29.351 29.762 -0.104 0.000 1.360 210 H HN 0.308 nan 8.280 nan 0.000 0.487 211 L N -0.078 121.180 121.223 0.058 0.000 1.978 211 L HA -0.312 4.028 4.340 -0.000 0.000 0.218 211 L C 3.121 179.962 176.870 -0.049 0.000 1.075 211 L CA 1.958 56.799 54.840 0.001 0.000 0.767 211 L CB -0.534 41.495 42.059 -0.050 0.000 0.890 211 L HN 0.319 nan 8.230 nan 0.000 0.434 212 M N -0.844 118.681 119.600 -0.125 0.000 2.086 212 M HA -0.217 4.263 4.480 -0.000 0.000 0.261 212 M C 2.404 178.707 176.300 0.005 0.000 1.067 212 M CA 1.681 56.937 55.300 -0.074 0.000 1.116 212 M CB -0.560 32.024 32.600 -0.026 0.000 1.348 212 M HN 0.238 nan 8.290 nan 0.000 0.407 213 L N 0.089 121.291 121.223 -0.036 0.000 2.034 213 L HA -0.291 4.049 4.340 -0.000 0.000 0.217 213 L C 2.539 179.399 176.870 -0.017 0.000 1.077 213 L CA 1.702 56.542 54.840 -0.001 0.000 0.769 213 L CB -0.716 41.274 42.059 -0.115 0.000 0.890 213 L HN 0.416 nan 8.230 nan 0.000 0.435 214 E N -0.855 119.330 120.200 -0.025 0.000 2.072 214 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 214 E C 2.277 178.884 176.600 0.012 0.000 0.985 214 E CA 0.810 57.212 56.400 0.005 0.000 0.801 214 E CB 0.169 29.906 29.700 0.061 0.000 0.750 214 E HN 0.380 nan 8.360 nan 0.000 0.452 215 Q N 0.120 119.922 119.800 0.003 0.000 2.167 215 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 215 Q C 2.051 178.056 176.000 0.008 0.000 0.970 215 Q CA 0.794 56.597 55.803 -0.000 0.000 0.855 215 Q CB -0.096 28.626 28.738 -0.028 0.000 0.911 215 Q HN 0.347 nan 8.270 nan 0.000 0.438 216 L N -0.761 120.465 121.223 0.005 0.000 2.610 216 L HA 0.069 4.409 4.340 -0.000 0.000 0.232 216 L C 1.160 178.036 176.870 0.009 0.000 1.149 216 L CA 0.550 55.390 54.840 0.001 0.000 0.872 216 L CB -0.363 41.696 42.059 0.000 0.000 0.992 216 L HN 0.357 nan 8.230 nan 0.000 0.447 217 G N -1.233 107.579 108.800 0.020 0.000 2.179 217 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 217 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 217 G C 0.394 175.299 174.900 0.010 0.000 0.977 217 G CA 0.000 45.114 45.100 0.023 0.000 0.641 217 G HN 0.337 nan 8.290 nan 0.000 0.533 218 C N 0.649 119.951 119.300 0.003 0.000 2.657 218 C HA 0.492 4.952 4.460 -0.000 0.000 0.404 218 C C 1.094 176.073 174.990 -0.019 0.000 1.291 218 C CA -0.169 58.846 59.018 -0.005 0.000 2.218 218 C CB 0.862 28.599 27.740 -0.005 0.000 2.687 218 C HN 0.582 nan 8.230 nan 0.000 0.634 219 E N 1.074 121.264 120.200 -0.017 0.000 2.180 219 E HA 0.359 4.708 4.350 -0.000 0.000 0.283 219 E C -0.894 175.671 176.600 -0.059 0.000 1.061 219 E CA -0.086 56.300 56.400 -0.024 0.000 0.861 219 E CB 0.574 30.270 29.700 -0.006 0.000 1.056 219 E HN 0.485 nan 8.360 nan 0.000 0.407 220 V N 6.446 126.295 119.914 -0.108 0.000 2.427 220 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 220 V C 0.035 176.058 176.094 -0.119 0.000 1.034 220 V CA -0.538 61.632 62.300 -0.217 0.000 0.893 220 V CB 1.380 32.833 31.823 -0.617 0.000 0.982 220 V HN 0.601 nan 8.190 nan 0.000 0.452 221 I N 4.384 124.905 120.570 -0.083 0.000 2.405 221 I HA 0.348 4.518 4.170 -0.000 0.000 0.280 221 I C 0.003 176.130 176.117 0.018 0.000 1.027 221 I CA -0.099 61.196 61.300 -0.008 0.000 1.161 221 I CB 0.909 38.917 38.000 0.013 0.000 1.300 221 I HN 0.575 nan 8.210 nan 0.000 0.463 222 N N 5.405 124.146 118.700 0.068 0.000 2.437 222 N HA 0.239 4.979 4.740 -0.000 0.000 0.243 222 N C 0.333 175.903 175.510 0.099 0.000 1.041 222 N CA -0.504 52.615 53.050 0.116 0.000 0.940 222 N CB 0.786 39.414 38.487 0.236 0.000 1.133 222 N HN 0.482 nan 8.380 nan 0.000 0.506 223 L N 3.337 124.630 121.223 0.117 0.000 2.645 223 L HA 0.339 4.679 4.340 -0.000 0.000 0.234 223 L C 1.450 178.356 176.870 0.061 0.000 1.165 223 L CA 0.430 55.317 54.840 0.078 0.000 0.944 223 L CB -1.292 40.806 42.059 0.065 0.000 1.149 223 L HN 0.825 nan 8.230 nan 0.000 0.446 224 G N 0.312 109.159 108.800 0.079 0.000 2.575 224 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 224 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 224 G C 0.116 175.062 174.900 0.076 0.000 1.264 224 G CA -0.071 45.066 45.100 0.060 0.000 0.935 224 G HN 0.160 nan 8.290 nan 0.000 0.568 225 I N 1.822 122.423 120.570 0.052 0.000 2.306 225 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 225 I C 0.554 176.685 176.117 0.023 0.000 1.036 225 I CA -0.824 60.511 61.300 0.058 0.000 1.221 225 I CB 0.896 38.929 38.000 0.055 0.000 1.385 225 I HN 0.273 nan 8.210 nan 0.000 0.472 226 I N 6.117 126.682 120.570 -0.009 0.000 2.648 226 I HA 0.064 4.234 4.170 -0.000 0.000 0.284 226 I C 1.007 177.128 176.117 0.007 0.000 1.153 226 I CA -0.035 61.232 61.300 -0.055 0.000 1.426 226 I CB -0.195 37.695 38.000 -0.183 0.000 1.381 226 I HN 0.704 nan 8.210 nan 0.000 0.571 227 R N 4.381 124.887 120.500 0.009 0.000 2.582 227 R HA 0.556 4.895 4.340 -0.000 0.000 0.271 227 R C 0.017 176.351 176.300 0.058 0.000 1.078 227 R CA -0.639 55.479 56.100 0.030 0.000 1.127 227 R CB 0.300 30.609 30.300 0.015 0.000 1.038 227 R HN 0.658 nan 8.270 nan 0.000 0.500 228 A N 2.305 125.164 122.820 0.064 0.000 2.981 228 A HA 0.065 4.385 4.320 -0.000 0.000 0.280 228 A C -0.667 176.878 177.584 -0.066 0.000 1.797 228 A CA 0.100 52.190 52.037 0.088 0.000 1.456 228 A CB -0.966 18.084 19.000 0.084 0.000 1.057 228 A HN 0.772 nan 8.150 nan 0.000 0.602 229 D N 1.474 121.834 120.400 -0.066 0.000 2.977 229 D HA 0.377 5.017 4.640 -0.000 0.000 0.220 229 D C -2.046 174.177 176.300 -0.129 0.000 1.267 229 D CA -1.333 52.560 54.000 -0.178 0.000 0.884 229 D CB 1.850 42.622 40.800 -0.048 0.000 1.667 229 D HN 0.038 nan 8.370 nan 0.000 0.536 230 P HA -0.161 nan 4.420 nan 0.000 0.222 230 P C 0.780 177.997 177.300 -0.138 0.000 1.147 230 P CA 1.061 64.093 63.100 -0.115 0.000 0.790 230 P CB 0.234 31.739 31.700 -0.326 0.000 0.780 231 H N -0.124 118.955 119.070 0.014 0.000 2.384 231 H HA 0.173 4.729 4.556 -0.000 0.000 0.300 231 H C 2.180 177.517 175.328 0.014 0.000 1.057 231 H CA 1.239 57.294 56.048 0.012 0.000 1.370 231 H CB -0.745 29.009 29.762 -0.012 0.000 1.417 231 H HN 0.082 nan 8.280 nan 0.000 0.527 232 A N 1.854 124.743 122.820 0.115 0.000 1.883 232 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 232 A C 2.545 180.131 177.584 0.004 0.000 1.186 232 A CA 1.122 53.184 52.037 0.042 0.000 0.624 232 A CB -0.960 18.052 19.000 0.019 0.000 0.822 232 A HN 0.315 nan 8.150 nan 0.000 0.444 233 L N -1.040 120.213 121.223 0.049 0.000 2.131 233 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 233 L C 2.753 179.697 176.870 0.124 0.000 1.092 233 L CA 1.537 56.400 54.840 0.038 0.000 0.759 233 L CB -0.428 41.739 42.059 0.181 0.000 0.903 233 L HN 0.454 nan 8.230 nan 0.000 0.435 234 R N -0.855 119.720 120.500 0.125 0.000 2.090 234 R HA -0.084 4.256 4.340 -0.000 0.000 0.228 234 R C 2.237 178.598 176.300 0.101 0.000 1.110 234 R CA 1.188 57.366 56.100 0.130 0.000 0.973 234 R CB -0.177 30.180 30.300 0.095 0.000 0.869 234 R HN 0.365 nan 8.270 nan 0.000 0.440 235 A N 0.879 123.729 122.820 0.050 0.000 1.968 235 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 235 A C 2.281 179.844 177.584 -0.035 0.000 1.169 235 A CA 1.271 53.317 52.037 0.015 0.000 0.638 235 A CB -0.390 18.612 19.000 0.002 0.000 0.812 235 A HN 0.365 nan 8.150 nan 0.000 0.446 236 A N -0.549 122.193 122.820 -0.129 0.000 1.865 236 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 236 A C 1.985 179.408 177.584 -0.269 0.000 1.191 236 A CA 1.642 53.481 52.037 -0.329 0.000 0.623 236 A CB -0.855 17.717 19.000 -0.712 0.000 0.826 236 A HN 0.476 nan 8.150 nan 0.000 0.444 237 F N -0.140 119.721 119.950 -0.148 0.000 2.051 237 F HA -0.162 4.365 4.527 -0.000 0.000 0.296 237 F C 2.225 178.021 175.800 -0.007 0.000 1.122 237 F CA 1.772 59.764 58.000 -0.014 0.000 1.201 237 F CB -0.445 38.528 39.000 -0.045 0.000 0.978 237 F HN 0.104 nan 8.300 nan 0.000 0.472 238 I N 0.173 120.839 120.570 0.160 0.000 2.236 238 I HA -0.333 3.837 4.170 -0.000 0.000 0.249 238 I C 2.362 178.511 176.117 0.053 0.000 1.102 238 I CA 1.932 63.279 61.300 0.079 0.000 1.365 238 I CB -0.525 37.502 38.000 0.045 0.000 1.051 238 I HN 0.237 nan 8.210 nan 0.000 0.420 239 E N 1.617 121.839 120.200 0.036 0.000 2.033 239 E HA -0.147 4.203 4.350 -0.000 0.000 0.189 239 E C 2.183 178.807 176.600 0.040 0.000 0.979 239 E CA 1.380 57.792 56.400 0.020 0.000 0.802 239 E CB -0.300 29.395 29.700 -0.008 0.000 0.763 239 E HN 0.340 nan 8.360 nan 0.000 0.449 240 A N 0.652 123.508 122.820 0.061 0.000 1.902 240 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 240 A C 2.071 179.715 177.584 0.100 0.000 1.181 240 A CA 1.894 53.991 52.037 0.101 0.000 0.623 240 A CB -1.036 18.075 19.000 0.186 0.000 0.818 240 A HN 0.497 nan 8.150 nan 0.000 0.443 241 D N -0.328 120.140 120.400 0.114 0.000 2.219 241 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 241 D C 2.041 178.363 176.300 0.036 0.000 0.970 241 D CA 1.553 55.600 54.000 0.079 0.000 0.851 241 D CB 0.055 40.901 40.800 0.077 0.000 0.943 241 D HN 0.516 nan 8.370 nan 0.000 0.488 242 S N -1.504 114.217 115.700 0.034 0.000 2.558 242 S HA 0.046 4.516 4.470 -0.000 0.000 0.217 242 S C 1.389 176.000 174.600 0.018 0.000 0.975 242 S CA 0.012 58.222 58.200 0.017 0.000 0.912 242 S CB 0.313 63.521 63.200 0.014 0.000 0.776 242 S HN 0.123 nan 8.310 nan 0.000 0.526 243 Q N 0.348 120.165 119.800 0.027 0.000 2.164 243 Q HA 0.569 4.909 4.340 -0.000 0.000 0.226 243 Q C 0.116 176.134 176.000 0.030 0.000 0.813 243 Q CA 0.291 56.109 55.803 0.025 0.000 0.978 243 Q CB 1.313 30.066 28.738 0.025 0.000 1.149 243 Q HN 0.627 nan 8.270 nan 0.000 0.489 244 A N -0.008 122.835 122.820 0.038 0.000 2.527 244 A HA 0.550 4.870 4.320 -0.000 0.000 0.293 244 A C -0.225 177.390 177.584 0.052 0.000 1.117 244 A CA -0.492 51.573 52.037 0.045 0.000 0.723 244 A CB 1.097 20.130 19.000 0.054 0.000 1.313 244 A HN -0.101 nan 8.150 nan 0.000 0.411 245 D N -0.608 119.835 120.400 0.071 0.000 2.271 245 D HA 0.163 4.803 4.640 -0.000 0.000 0.206 245 D C 0.055 176.455 176.300 0.167 0.000 0.967 245 D CA 1.376 55.442 54.000 0.110 0.000 0.867 245 D CB 0.532 41.406 40.800 0.123 0.000 0.960 245 D HN 0.208 nan 8.370 nan 0.000 0.509 246 V N 1.211 121.209 119.914 0.139 0.000 2.760 246 V HA 0.327 4.447 4.120 -0.000 0.000 0.309 246 V C -0.286 175.868 176.094 0.099 0.000 1.077 246 V CA -0.888 61.508 62.300 0.160 0.000 0.910 246 V CB 2.949 34.867 31.823 0.159 0.000 1.008 246 V HN -0.273 nan 8.190 nan 0.000 0.424 247 V N 5.316 125.296 119.914 0.110 0.000 2.495 247 V HA 0.597 4.717 4.120 -0.000 0.000 0.298 247 V C -0.498 175.556 176.094 -0.067 0.000 1.031 247 V CA -0.414 61.933 62.300 0.079 0.000 0.871 247 V CB 1.921 33.901 31.823 0.262 0.000 0.988 247 V HN 0.725 nan 8.190 nan 0.000 0.432 248 I N 3.345 123.763 120.570 -0.254 0.000 2.476 248 I HA 0.271 4.441 4.170 -0.000 0.000 0.281 248 I C 0.102 175.898 176.117 -0.535 0.000 1.040 248 I CA -0.238 60.849 61.300 -0.354 0.000 1.094 248 I CB 2.052 39.947 38.000 -0.174 0.000 1.219 248 I HN 0.626 nan 8.210 nan 0.000 0.450 249 S N 3.561 118.950 115.700 -0.518 0.000 2.481 249 S HA 0.078 4.548 4.470 -0.000 0.000 0.276 249 S C 1.333 175.809 174.600 -0.207 0.000 1.247 249 S CA 0.009 57.965 58.200 -0.407 0.000 1.053 249 S CB 0.846 64.058 63.200 0.021 0.000 0.925 249 S HN 0.758 nan 8.310 nan 0.000 0.491 250 S N 3.921 119.525 115.700 -0.160 0.000 2.461 250 S HA 0.389 4.859 4.470 -0.000 0.000 0.228 250 S C 0.897 175.494 174.600 -0.005 0.000 1.005 250 S CA 0.313 58.465 58.200 -0.079 0.000 0.942 250 S CB -0.411 62.745 63.200 -0.074 0.000 0.776 250 S HN 1.432 nan 8.310 nan 0.000 0.514 251 G N -2.319 106.497 108.800 0.027 0.000 2.384 251 G HA2 0.529 4.489 3.960 -0.000 0.000 0.300 251 G HA3 0.529 4.489 3.960 -0.000 0.000 0.300 251 G C 0.183 175.146 174.900 0.104 0.000 1.582 251 G CA -0.160 44.982 45.100 0.070 0.000 0.875 251 G HN 1.219 nan 8.290 nan 0.000 0.628 252 G N -1.237 107.631 108.800 0.113 0.000 2.604 252 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.205 252 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.205 252 G C 0.626 175.603 174.900 0.128 0.000 1.186 252 G CA 0.587 45.759 45.100 0.120 0.000 0.753 252 G HN 1.795 nan 8.290 nan 0.000 0.526 253 V N 2.438 122.468 119.914 0.194 0.000 2.843 253 V HA 0.494 4.614 4.120 -0.000 0.000 0.305 253 V C 1.409 177.613 176.094 0.184 0.000 1.065 253 V CA 0.702 63.134 62.300 0.220 0.000 1.116 253 V CB 1.508 33.588 31.823 0.429 0.000 0.968 253 V HN 0.906 nan 8.190 nan 0.000 0.487 254 S N 2.813 118.592 115.700 0.131 0.000 2.579 254 S HA 0.179 4.649 4.470 -0.000 0.000 0.275 254 S C 0.582 175.353 174.600 0.285 0.000 1.345 254 S CA -0.065 58.212 58.200 0.129 0.000 1.031 254 S CB 1.182 64.386 63.200 0.007 0.000 0.892 254 S HN 1.025 nan 8.310 nan 0.000 0.529 255 V N 1.630 121.687 119.914 0.239 0.000 3.276 255 V HA 0.691 4.811 4.120 -0.000 0.000 0.319 255 V C 0.989 177.285 176.094 0.337 0.000 1.427 255 V CA 0.533 63.042 62.300 0.348 0.000 1.102 255 V CB -0.384 31.578 31.823 0.233 0.000 1.020 255 V HN 1.067 nan 8.190 nan 0.000 0.456 256 G N 0.074 108.874 108.800 0.001 0.000 4.366 256 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.194 256 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.194 256 G C -0.044 174.693 174.900 -0.272 0.000 1.275 256 G CA -0.047 44.923 45.100 -0.216 0.000 0.847 256 G HN 0.401 nan 8.290 nan 0.000 0.299 257 E N 1.374 121.503 120.200 -0.119 0.000 2.508 257 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 257 E C 0.648 177.165 176.600 -0.139 0.000 1.010 257 E CA 0.785 57.130 56.400 -0.091 0.000 0.955 257 E CB 0.882 30.564 29.700 -0.030 0.000 0.946 257 E HN 0.688 nan 8.360 nan 0.000 0.454 258 A N 3.831 126.588 122.820 -0.105 0.000 2.327 258 A HA 0.537 4.857 4.320 -0.000 0.000 0.283 258 A C -0.636 176.916 177.584 -0.053 0.000 1.127 258 A CA 0.121 52.100 52.037 -0.097 0.000 0.810 258 A CB 0.270 19.227 19.000 -0.072 0.000 1.066 258 A HN 0.711 nan 8.150 nan 0.000 0.492 259 D N -0.756 119.615 120.400 -0.050 0.000 3.036 259 D HA -0.045 4.595 4.640 -0.000 0.000 0.295 259 D C -0.022 176.269 176.300 -0.015 0.000 1.180 259 D CA 0.017 54.022 54.000 0.008 0.000 0.726 259 D CB -0.508 40.306 40.800 0.023 0.000 1.270 259 D HN 0.608 nan 8.370 nan 0.000 0.445 260 Y N -0.980 119.302 120.300 -0.030 0.000 2.465 260 Y HA -0.073 4.477 4.550 -0.000 0.000 0.289 260 Y C 2.020 177.901 175.900 -0.033 0.000 1.150 260 Y CA 1.822 59.897 58.100 -0.041 0.000 1.293 260 Y CB -1.037 37.393 38.460 -0.051 0.000 0.977 260 Y HN 0.514 nan 8.280 nan 0.000 0.556 261 T N -1.246 112.848 114.554 -0.767 0.000 2.737 261 T HA -0.210 4.140 4.350 -0.000 0.000 0.265 261 T C 1.793 176.358 174.700 -0.225 0.000 1.038 261 T CA 1.514 63.309 62.100 -0.509 0.000 1.144 261 T CB -0.478 68.170 68.868 -0.368 0.000 0.866 261 T HN 0.455 nan 8.240 nan 0.000 0.434 262 K N 1.046 121.347 120.400 -0.165 0.000 2.103 262 K HA -0.120 4.199 4.320 -0.000 0.000 0.207 262 K C 2.328 178.869 176.600 -0.099 0.000 1.048 262 K CA 1.776 57.997 56.287 -0.109 0.000 0.930 262 K CB -0.536 31.836 32.500 -0.213 0.000 0.716 262 K HN 0.444 nan 8.250 nan 0.000 0.444 263 T N 0.964 115.456 114.554 -0.104 0.000 2.777 263 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 263 T C 1.783 176.423 174.700 -0.100 0.000 1.040 263 T CA 1.318 63.373 62.100 -0.075 0.000 1.141 263 T CB -0.163 68.686 68.868 -0.032 0.000 0.868 263 T HN 0.107 nan 8.240 nan 0.000 0.444 264 I N 0.714 121.206 120.570 -0.130 0.000 2.226 264 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 264 I C 2.256 178.183 176.117 -0.317 0.000 1.100 264 I CA 1.023 62.215 61.300 -0.180 0.000 1.374 264 I CB -0.350 37.559 38.000 -0.153 0.000 1.057 264 I HN 0.192 nan 8.210 nan 0.000 0.413 265 L N -0.215 120.791 121.223 -0.362 0.000 1.994 265 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 265 L C 2.499 179.194 176.870 -0.292 0.000 1.071 265 L CA 1.617 56.170 54.840 -0.478 0.000 0.745 265 L CB -0.445 41.418 42.059 -0.328 0.000 0.892 265 L HN 0.272 nan 8.230 nan 0.000 0.431 266 E N -0.238 119.880 120.200 -0.136 0.000 2.077 266 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 266 E C 1.915 178.455 176.600 -0.100 0.000 0.989 266 E CA 1.493 57.852 56.400 -0.068 0.000 0.800 266 E CB -0.024 29.670 29.700 -0.010 0.000 0.746 266 E HN 0.597 nan 8.360 nan 0.000 0.452 267 E N 0.532 120.662 120.200 -0.116 0.000 2.274 267 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 267 E C 1.804 178.325 176.600 -0.132 0.000 0.996 267 E CA 0.734 57.073 56.400 -0.103 0.000 0.840 267 E CB 0.019 29.670 29.700 -0.081 0.000 0.772 267 E HN 0.213 nan 8.360 nan 0.000 0.491 268 L N -0.161 120.940 121.223 -0.202 0.000 2.664 268 L HA 0.384 4.723 4.340 -0.000 0.000 0.233 268 L C 0.678 177.414 176.870 -0.224 0.000 1.113 268 L CA 0.398 55.105 54.840 -0.221 0.000 0.896 268 L CB 1.135 43.009 42.059 -0.310 0.000 1.163 268 L HN 0.298 nan 8.230 nan 0.000 0.497 269 G N -1.168 107.496 108.800 -0.227 0.000 2.554 269 G HA2 0.204 4.164 3.960 -0.000 0.000 0.306 269 G HA3 0.204 4.164 3.960 -0.000 0.000 0.306 269 G C -1.501 173.296 174.900 -0.171 0.000 1.320 269 G CA -0.550 44.426 45.100 -0.206 0.000 0.800 269 G HN -0.153 nan 8.290 nan 0.000 0.481 270 E N 0.477 120.581 120.200 -0.159 0.000 2.103 270 E HA 0.437 4.787 4.350 -0.000 0.000 0.254 270 E C -0.501 176.014 176.600 -0.141 0.000 0.940 270 E CA -0.491 55.843 56.400 -0.109 0.000 0.771 270 E CB 0.360 30.022 29.700 -0.063 0.000 1.153 270 E HN 0.226 nan 8.360 nan 0.000 0.428 271 I N 3.356 123.819 120.570 -0.180 0.000 2.355 271 I HA 0.367 4.537 4.170 -0.000 0.000 0.288 271 I C 0.594 176.485 176.117 -0.377 0.000 0.999 271 I CA -0.831 60.274 61.300 -0.325 0.000 1.163 271 I CB 0.728 38.456 38.000 -0.455 0.000 1.316 271 I HN 0.444 nan 8.210 nan 0.000 0.454 272 A N 6.320 128.919 122.820 -0.368 0.000 2.425 272 A HA 0.542 4.862 4.320 -0.000 0.000 0.242 272 A C -0.710 176.435 177.584 -0.732 0.000 1.077 272 A CA 0.134 51.964 52.037 -0.345 0.000 0.781 272 A CB 0.012 18.827 19.000 -0.309 0.000 1.020 272 A HN 0.521 nan 8.150 nan 0.000 0.494 273 F N 1.647 121.567 119.950 -0.050 0.000 2.453 273 F HA 0.270 4.797 4.527 -0.000 0.000 0.358 273 F C -0.393 175.538 175.800 0.218 0.000 1.129 273 F CA -0.476 57.532 58.000 0.014 0.000 1.200 273 F CB 0.611 39.639 39.000 0.046 0.000 1.431 273 F HN 0.537 nan 8.300 nan 0.000 0.503 274 W N 1.919 123.357 121.300 0.230 0.000 2.126 274 W HA 0.404 5.064 4.660 -0.000 0.000 0.346 274 W C -0.046 176.599 176.519 0.210 0.000 1.279 274 W CA -1.318 56.152 57.345 0.208 0.000 1.259 274 W CB 0.400 29.986 29.460 0.209 0.000 1.133 274 W HN 0.171 nan 8.180 nan 0.000 0.592 275 K N 2.233 122.868 120.400 0.392 0.000 2.559 275 K HA 0.351 4.671 4.320 -0.000 0.000 0.249 275 K C -0.837 175.875 176.600 0.187 0.000 0.958 275 K CA -0.859 55.583 56.287 0.257 0.000 0.901 275 K CB 1.247 33.858 32.500 0.187 0.000 1.124 275 K HN -0.067 nan 8.250 nan 0.000 0.437 276 L N 1.694 123.026 121.223 0.181 0.000 2.379 276 L HA 0.448 4.788 4.340 -0.000 0.000 0.269 276 L C 0.488 177.404 176.870 0.076 0.000 1.084 276 L CA -0.548 54.355 54.840 0.105 0.000 0.802 276 L CB 1.123 43.244 42.059 0.103 0.000 1.175 276 L HN 0.708 nan 8.230 nan 0.000 0.448 277 A N 4.948 127.791 122.820 0.039 0.000 2.923 277 A HA 0.608 4.928 4.320 -0.000 0.000 0.306 277 A C -0.132 177.473 177.584 0.035 0.000 1.542 277 A CA -0.212 51.843 52.037 0.029 0.000 1.225 277 A CB -1.008 17.994 19.000 0.003 0.000 1.147 277 A HN 0.615 nan 8.150 nan 0.000 0.542 278 I N -2.647 117.960 120.570 0.062 0.000 3.102 278 I HA 0.697 4.867 4.170 -0.000 0.000 0.310 278 I C -1.145 175.027 176.117 0.092 0.000 1.246 278 I CA -1.134 60.221 61.300 0.093 0.000 0.979 278 I CB 2.373 40.458 38.000 0.140 0.000 1.267 278 I HN 0.103 nan 8.210 nan 0.000 0.451 279 K N 3.043 123.510 120.400 0.111 0.000 2.498 279 K HA 0.606 4.925 4.320 -0.000 0.000 0.254 279 K C -2.919 173.764 176.600 0.139 0.000 0.933 279 K CA -1.698 54.649 56.287 0.101 0.000 0.806 279 K CB 3.322 35.858 32.500 0.059 0.000 1.301 279 K HN 0.420 nan 8.250 nan 0.000 0.432 280 P HA 0.323 nan 4.420 nan 0.000 0.276 280 P C 0.057 177.425 177.300 0.114 0.000 1.261 280 P CA 0.308 63.474 63.100 0.110 0.000 0.800 280 P CB 0.730 32.502 31.700 0.119 0.000 1.066 281 G N -0.389 108.484 108.800 0.120 0.000 2.483 281 G HA2 0.049 4.008 3.960 -0.000 0.000 0.521 281 G HA3 0.049 4.008 3.960 -0.000 0.000 0.521 281 G C -0.234 174.742 174.900 0.126 0.000 1.278 281 G CA 0.349 45.526 45.100 0.129 0.000 0.965 281 G HN 0.855 nan 8.290 nan 0.000 0.504 282 K N -1.975 118.514 120.400 0.147 0.000 2.159 282 K HA 0.077 4.397 4.320 -0.000 0.000 0.154 282 K C -2.607 174.118 176.600 0.209 0.000 2.479 282 K CA 0.717 57.096 56.287 0.152 0.000 1.260 282 K CB -0.259 32.318 32.500 0.129 0.000 2.751 282 K HN 0.627 nan 8.250 nan 0.000 0.414 283 P HA 0.346 nan 4.420 nan 0.000 0.286 283 P C -1.265 176.265 177.300 0.383 0.000 1.261 283 P CA 0.056 63.325 63.100 0.282 0.000 0.821 283 P CB 0.678 32.513 31.700 0.226 0.000 1.013 284 F N 1.198 121.262 119.950 0.191 0.000 2.651 284 F HA 0.549 5.076 4.527 -0.000 0.000 0.327 284 F C -1.780 174.041 175.800 0.035 0.000 1.133 284 F CA -0.593 57.483 58.000 0.128 0.000 1.076 284 F CB 1.042 40.134 39.000 0.154 0.000 1.315 284 F HN 0.455 nan 8.300 nan 0.000 0.499 285 A N 5.782 128.196 122.820 -0.677 0.000 2.304 285 A HA 0.832 5.152 4.320 -0.000 0.000 0.323 285 A C -1.937 175.063 177.584 -0.973 0.000 1.195 285 A CA -0.475 51.139 52.037 -0.704 0.000 0.826 285 A CB 0.727 19.529 19.000 -0.329 0.000 1.184 285 A HN 0.912 nan 8.150 nan 0.000 0.496 286 F N 1.390 120.748 119.950 -0.987 0.000 2.641 286 F HA 0.684 5.211 4.527 -0.000 0.000 0.308 286 F C 0.054 175.588 175.800 -0.444 0.000 1.105 286 F CA 0.733 58.298 58.000 -0.724 0.000 0.964 286 F CB 1.898 40.423 39.000 -0.791 0.000 1.294 286 F HN 1.224 nan 8.300 nan 0.000 0.442 287 G N 3.879 112.111 108.800 -0.947 0.000 2.313 287 G HA2 0.217 4.177 3.960 -0.000 0.000 0.296 287 G HA3 0.217 4.177 3.960 -0.000 0.000 0.296 287 G C -2.182 172.480 174.900 -0.396 0.000 1.356 287 G CA -1.155 43.651 45.100 -0.491 0.000 0.833 287 G HN 0.611 nan 8.290 nan 0.000 0.552 288 K N -0.179 120.055 120.400 -0.276 0.000 2.202 288 K HA 0.564 4.884 4.320 -0.000 0.000 0.264 288 K C 0.101 176.487 176.600 -0.357 0.000 1.010 288 K CA -0.233 55.731 56.287 -0.538 0.000 0.940 288 K CB 0.822 32.965 32.500 -0.596 0.000 0.983 288 K HN 0.379 nan 8.250 nan 0.000 0.475 289 L N 0.442 121.453 121.223 -0.353 0.000 2.491 289 L HA 0.185 4.525 4.340 -0.000 0.000 0.264 289 L C 1.984 178.714 176.870 -0.233 0.000 1.053 289 L CA -0.558 54.139 54.840 -0.238 0.000 0.858 289 L CB 1.043 43.021 42.059 -0.135 0.000 1.519 289 L HN 0.717 nan 8.230 nan 0.000 0.508 290 S N 0.209 115.812 115.700 -0.161 0.000 2.390 290 S HA -0.233 4.237 4.470 -0.000 0.000 0.234 290 S C 0.744 175.255 174.600 -0.148 0.000 1.063 290 S CA 1.982 60.104 58.200 -0.130 0.000 1.108 290 S CB -0.386 62.764 63.200 -0.083 0.000 0.975 290 S HN 0.718 nan 8.310 nan 0.000 0.442 291 N N 0.528 119.137 118.700 -0.152 0.000 2.471 291 N HA 0.208 4.948 4.740 -0.000 0.000 0.270 291 N C -0.781 174.618 175.510 -0.185 0.000 1.490 291 N CA 0.377 53.335 53.050 -0.153 0.000 0.850 291 N CB 1.211 39.650 38.487 -0.080 0.000 1.411 291 N HN 0.497 nan 8.380 nan 0.000 0.488 292 S N -0.820 114.703 115.700 -0.295 0.000 2.661 292 S HA 0.556 5.026 4.470 -0.000 0.000 0.268 292 S C -1.984 172.322 174.600 -0.489 0.000 1.162 292 S CA -0.882 57.154 58.200 -0.272 0.000 0.817 292 S CB 1.334 64.507 63.200 -0.047 0.000 1.141 292 S HN 0.210 nan 8.310 nan 0.000 0.477 293 W N 0.709 121.989 121.300 -0.033 0.000 2.512 293 W HA 0.725 5.384 4.660 -0.000 0.000 0.335 293 W C -0.629 175.842 176.519 -0.080 0.000 1.088 293 W CA -0.599 56.664 57.345 -0.138 0.000 1.236 293 W CB 1.196 30.590 29.460 -0.111 0.000 1.307 293 W HN 0.616 nan 8.180 nan 0.000 0.567 294 F N 3.017 122.885 119.950 -0.137 0.000 2.482 294 F HA 0.653 5.180 4.527 -0.000 0.000 0.331 294 F C -0.761 174.911 175.800 -0.214 0.000 1.115 294 F CA -1.288 56.632 58.000 -0.133 0.000 0.955 294 F CB 0.605 39.520 39.000 -0.141 0.000 1.136 294 F HN 0.219 nan 8.300 nan 0.000 0.452 295 C N 3.836 122.529 119.300 -1.011 0.000 2.417 295 C HA 0.788 5.248 4.460 -0.000 0.000 0.324 295 C C 0.521 174.674 174.990 -1.395 0.000 1.240 295 C CA -0.799 57.663 59.018 -0.927 0.000 1.632 295 C CB 0.838 28.495 27.740 -0.139 0.000 2.241 295 C HN 1.068 nan 8.230 nan 0.000 0.499 296 G N 3.962 112.060 108.800 -1.171 0.000 2.603 296 G HA2 0.521 4.481 3.960 -0.000 0.000 0.324 296 G HA3 0.521 4.481 3.960 -0.000 0.000 0.324 296 G C -0.405 174.370 174.900 -0.209 0.000 1.178 296 G CA -0.259 44.493 45.100 -0.579 0.000 1.023 296 G HN 0.677 nan 8.290 nan 0.000 0.482 297 L N 3.410 124.618 121.223 -0.026 0.000 2.452 297 L HA 0.302 4.642 4.340 -0.000 0.000 0.267 297 L C -1.577 175.387 176.870 0.156 0.000 1.188 297 L CA -1.366 53.571 54.840 0.162 0.000 0.821 297 L CB 1.152 43.290 42.059 0.132 0.000 1.102 297 L HN 0.319 nan 8.230 nan 0.000 0.470 298 P HA 0.042 nan 4.420 nan 0.000 0.272 298 P C 0.510 177.894 177.300 0.140 0.000 1.230 298 P CA -0.215 62.989 63.100 0.174 0.000 0.788 298 P CB 0.813 32.627 31.700 0.190 0.000 0.949 299 G N 1.942 110.815 108.800 0.122 0.000 2.421 299 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 299 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 299 G C 0.742 175.704 174.900 0.103 0.000 1.171 299 G CA 0.362 45.523 45.100 0.101 0.000 0.775 299 G HN 0.679 nan 8.290 nan 0.000 0.543 300 N N 1.170 119.942 118.700 0.120 0.000 2.356 300 N HA 0.103 4.843 4.740 -0.000 0.000 0.252 300 N C -1.309 174.298 175.510 0.161 0.000 1.241 300 N CA -0.764 52.367 53.050 0.134 0.000 0.861 300 N CB 1.342 39.918 38.487 0.149 0.000 1.075 300 N HN -0.094 nan 8.380 nan 0.000 0.461 301 P HA -0.161 nan 4.420 nan 0.000 0.215 301 P C 1.063 178.611 177.300 0.413 0.000 1.157 301 P CA 0.814 64.025 63.100 0.186 0.000 0.868 301 P CB 0.204 31.961 31.700 0.095 0.000 0.788 302 V N -0.443 119.764 119.914 0.487 0.000 2.323 302 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 302 V C 2.379 178.714 176.094 0.401 0.000 1.041 302 V CA 2.217 64.859 62.300 0.569 0.000 1.025 302 V CB -1.496 30.552 31.823 0.375 0.000 0.656 302 V HN 0.128 nan 8.190 nan 0.000 0.451 303 S N 0.702 116.570 115.700 0.281 0.000 2.370 303 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 303 S C 2.163 176.896 174.600 0.222 0.000 1.033 303 S CA 1.600 59.930 58.200 0.217 0.000 1.011 303 S CB -0.511 62.799 63.200 0.184 0.000 0.852 303 S HN 0.656 nan 8.310 nan 0.000 0.457 304 A N 0.835 123.791 122.820 0.228 0.000 2.014 304 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 304 A C 2.237 179.964 177.584 0.237 0.000 1.163 304 A CA 1.591 53.752 52.037 0.208 0.000 0.652 304 A CB -0.827 18.263 19.000 0.150 0.000 0.808 304 A HN 0.468 nan 8.150 nan 0.000 0.449 305 T N 0.216 114.939 114.554 0.282 0.000 2.735 305 T HA -0.038 4.312 4.350 -0.000 0.000 0.256 305 T C 1.871 176.778 174.700 0.345 0.000 1.042 305 T CA 1.009 63.280 62.100 0.284 0.000 1.147 305 T CB -0.376 68.592 68.868 0.166 0.000 0.865 305 T HN 0.266 nan 8.240 nan 0.000 0.421 306 L N 1.346 122.779 121.223 0.351 0.000 2.089 306 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 306 L C 2.156 179.044 176.870 0.030 0.000 1.079 306 L CA 1.990 56.932 54.840 0.169 0.000 0.758 306 L CB -1.366 40.730 42.059 0.062 0.000 0.891 306 L HN 0.325 nan 8.230 nan 0.000 0.433 307 T N -0.593 114.013 114.554 0.087 0.000 2.851 307 T HA -0.158 4.192 4.350 -0.000 0.000 0.262 307 T C 1.537 176.231 174.700 -0.011 0.000 1.043 307 T CA 1.173 63.254 62.100 -0.032 0.000 1.140 307 T CB -0.339 68.552 68.868 0.039 0.000 0.872 307 T HN 0.398 nan 8.240 nan 0.000 0.446 308 F N 0.986 120.953 119.950 0.028 0.000 2.095 308 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 308 F C 2.075 177.893 175.800 0.031 0.000 1.104 308 F CA 1.171 59.191 58.000 0.034 0.000 1.232 308 F CB -0.551 38.482 39.000 0.055 0.000 0.987 308 F HN 0.232 nan 8.300 nan 0.000 0.475 309 Y N 0.317 120.589 120.300 -0.046 0.000 2.242 309 Y HA -0.203 4.347 4.550 -0.000 0.000 0.291 309 Y C 2.217 177.977 175.900 -0.235 0.000 1.137 309 Y CA 1.625 59.656 58.100 -0.115 0.000 1.181 309 Y CB -0.087 38.479 38.460 0.176 0.000 0.989 309 Y HN 0.104 nan 8.280 nan 0.000 0.527 310 Q N -0.715 119.073 119.800 -0.019 0.000 2.391 310 Q HA 0.128 4.468 4.340 -0.000 0.000 0.211 310 Q C 1.808 177.672 176.000 -0.227 0.000 0.908 310 Q CA 0.647 56.363 55.803 -0.146 0.000 0.920 310 Q CB 0.843 29.354 28.738 -0.379 0.000 1.056 310 Q HN 0.535 nan 8.270 nan 0.000 0.523 311 L N -1.314 119.725 121.223 -0.308 0.000 2.515 311 L HA 0.084 4.424 4.340 -0.000 0.000 0.202 311 L C 2.017 178.700 176.870 -0.311 0.000 1.056 311 L CA 0.270 54.898 54.840 -0.353 0.000 0.847 311 L CB 0.102 41.793 42.059 -0.613 0.000 1.131 311 L HN -0.117 nan 8.230 nan 0.000 0.484 312 V N -0.224 119.472 119.914 -0.364 0.000 2.407 312 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 312 V C 2.278 178.058 176.094 -0.523 0.000 1.041 312 V CA 1.536 63.617 62.300 -0.364 0.000 1.040 312 V CB -0.382 31.210 31.823 -0.385 0.000 0.671 312 V HN 0.432 nan 8.190 nan 0.000 0.455 313 Q N 0.372 119.719 119.800 -0.755 0.000 2.030 313 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 313 Q C -0.142 175.648 176.000 -0.349 0.000 0.986 313 Q CA 2.459 57.894 55.803 -0.614 0.000 0.843 313 Q CB -0.916 27.425 28.738 -0.661 0.000 0.904 313 Q HN 0.531 nan 8.270 nan 0.000 0.420 314 P HA -0.163 nan 4.420 nan 0.000 0.220 314 P C 1.320 178.517 177.300 -0.173 0.000 1.148 314 P CA 0.958 63.942 63.100 -0.194 0.000 0.803 314 P CB -0.072 31.529 31.700 -0.164 0.000 0.782 315 L N -0.875 120.234 121.223 -0.190 0.000 2.056 315 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 315 L C 2.579 179.373 176.870 -0.126 0.000 1.078 315 L CA 1.378 56.122 54.840 -0.159 0.000 0.749 315 L CB -0.746 41.233 42.059 -0.133 0.000 0.901 315 L HN -0.186 nan 8.230 nan 0.000 0.433 316 L N -0.761 120.387 121.223 -0.125 0.000 2.093 316 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 316 L C 2.767 179.593 176.870 -0.074 0.000 1.085 316 L CA 0.929 55.723 54.840 -0.076 0.000 0.755 316 L CB -0.865 41.150 42.059 -0.074 0.000 0.904 316 L HN 0.339 nan 8.230 nan 0.000 0.435 317 A N 0.856 123.615 122.820 -0.101 0.000 1.892 317 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 317 A C 2.331 179.875 177.584 -0.067 0.000 1.188 317 A CA 2.397 54.383 52.037 -0.085 0.000 0.631 317 A CB -0.503 18.437 19.000 -0.100 0.000 0.822 317 A HN 0.352 nan 8.150 nan 0.000 0.447 318 K N -0.327 120.028 120.400 -0.075 0.000 2.148 318 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 318 K C 1.775 178.352 176.600 -0.038 0.000 1.050 318 K CA 1.281 57.532 56.287 -0.060 0.000 0.942 318 K CB -0.426 32.028 32.500 -0.076 0.000 0.724 318 K HN 0.414 nan 8.250 nan 0.000 0.446 319 L N 0.941 122.141 121.223 -0.038 0.000 2.141 319 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 319 L C 2.233 179.107 176.870 0.008 0.000 1.094 319 L CA 1.478 56.317 54.840 -0.002 0.000 0.763 319 L CB -0.388 41.677 42.059 0.010 0.000 0.908 319 L HN 0.468 nan 8.230 nan 0.000 0.437 320 S N -1.287 114.406 115.700 -0.011 0.000 2.453 320 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 320 S C 1.583 176.177 174.600 -0.009 0.000 1.005 320 S CA 0.865 59.059 58.200 -0.010 0.000 0.949 320 S CB 0.282 63.467 63.200 -0.026 0.000 0.774 320 S HN 0.587 nan 8.310 nan 0.000 0.510 321 G N 1.019 109.813 108.800 -0.010 0.000 2.238 321 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 321 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 321 G C -0.014 174.874 174.900 -0.019 0.000 0.996 321 G CA -0.083 45.011 45.100 -0.010 0.000 0.632 321 G HN 0.588 nan 8.290 nan 0.000 0.503 322 N N 1.391 120.072 118.700 -0.031 0.000 2.357 322 N HA 0.221 4.961 4.740 -0.000 0.000 0.257 322 N C 1.482 176.973 175.510 -0.031 0.000 1.250 322 N CA 1.267 54.293 53.050 -0.039 0.000 0.862 322 N CB 0.906 39.362 38.487 -0.051 0.000 1.066 322 N HN 0.330 nan 8.380 nan 0.000 0.468 323 T N 0.873 115.411 114.554 -0.026 0.000 3.065 323 T HA 0.214 4.564 4.350 -0.000 0.000 0.252 323 T C 1.133 175.821 174.700 -0.020 0.000 1.099 323 T CA 0.145 62.235 62.100 -0.018 0.000 1.063 323 T CB 0.182 69.046 68.868 -0.008 0.000 0.948 323 T HN 0.579 nan 8.240 nan 0.000 0.506 324 A N 2.147 124.951 122.820 -0.026 0.000 2.529 324 A HA 0.424 4.743 4.320 -0.000 0.000 0.243 324 A C 1.291 178.859 177.584 -0.026 0.000 1.781 324 A CA 0.115 52.138 52.037 -0.023 0.000 0.877 324 A CB -0.190 18.794 19.000 -0.027 0.000 1.601 324 A HN 0.331 nan 8.150 nan 0.000 0.674 325 S N -1.044 114.641 115.700 -0.025 0.000 2.855 325 S HA 0.383 4.853 4.470 -0.000 0.000 0.249 325 S C 0.912 175.492 174.600 -0.034 0.000 1.033 325 S CA 0.253 58.436 58.200 -0.028 0.000 1.038 325 S CB 0.065 63.255 63.200 -0.017 0.000 0.960 325 S HN 1.758 nan 8.310 nan 0.000 0.548 326 G N 2.325 111.099 108.800 -0.043 0.000 2.113 326 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.259 326 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.259 326 G C -0.351 174.512 174.900 -0.062 0.000 0.734 326 G CA 0.610 45.676 45.100 -0.056 0.000 0.919 326 G HN 0.490 nan 8.290 nan 0.000 0.431 327 L N 0.849 122.060 121.223 -0.020 0.000 2.737 327 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 327 L C -2.043 174.875 176.870 0.079 0.000 0.949 327 L CA -1.987 52.864 54.840 0.018 0.000 0.952 327 L CB 1.549 43.618 42.059 0.016 0.000 1.337 327 L HN 0.026 nan 8.230 nan 0.000 0.430 328 P HA 0.093 nan 4.420 nan 0.000 0.272 328 P C -0.497 176.872 177.300 0.115 0.000 1.194 328 P CA 0.140 63.317 63.100 0.128 0.000 0.777 328 P CB 0.343 32.159 31.700 0.193 0.000 0.814 329 A N 2.454 125.327 122.820 0.088 0.000 2.304 329 A HA 0.426 4.746 4.320 -0.000 0.000 0.271 329 A C 0.798 178.437 177.584 0.092 0.000 1.091 329 A CA -0.450 51.631 52.037 0.073 0.000 0.812 329 A CB 0.388 19.416 19.000 0.046 0.000 1.056 329 A HN 0.478 nan 8.150 nan 0.000 0.489 330 R N -0.216 120.331 120.500 0.077 0.000 2.602 330 R HA 0.606 4.945 4.340 -0.000 0.000 0.237 330 R C -0.778 175.548 176.300 0.042 0.000 1.219 330 R CA -0.523 55.622 56.100 0.075 0.000 1.121 330 R CB 0.412 30.754 30.300 0.071 0.000 1.408 330 R HN 0.911 nan 8.270 nan 0.000 0.559 331 Q N -0.419 119.402 119.800 0.034 0.000 2.479 331 Q HA 0.372 4.712 4.340 -0.000 0.000 0.276 331 Q C -1.300 174.711 176.000 0.019 0.000 0.989 331 Q CA -1.097 54.715 55.803 0.015 0.000 0.864 331 Q CB 1.972 30.724 28.738 0.023 0.000 1.444 331 Q HN 0.597 nan 8.270 nan 0.000 0.388 332 R N 1.203 121.698 120.500 -0.009 0.000 2.459 332 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 332 R C -1.123 175.262 176.300 0.142 0.000 1.050 332 R CA -0.213 55.896 56.100 0.016 0.000 1.055 332 R CB 1.219 31.436 30.300 -0.139 0.000 1.045 332 R HN 0.539 nan 8.270 nan 0.000 0.495 333 V N 1.839 121.929 119.914 0.293 0.000 3.242 333 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 333 V C -0.649 175.630 176.094 0.308 0.000 1.352 333 V CA -1.254 61.261 62.300 0.358 0.000 1.052 333 V CB 1.978 33.890 31.823 0.149 0.000 1.101 333 V HN 0.814 nan 8.190 nan 0.000 0.446 334 R N 0.767 121.299 120.500 0.053 0.000 2.298 334 R HA 0.500 4.840 4.340 -0.000 0.000 0.310 334 R C -0.346 175.896 176.300 -0.096 0.000 1.068 334 R CA -0.363 55.622 56.100 -0.191 0.000 0.957 334 R CB 1.081 31.128 30.300 -0.421 0.000 1.003 334 R HN 0.816 nan 8.270 nan 0.000 0.454 335 T N 1.823 116.326 114.554 -0.086 0.000 2.888 335 T HA 0.112 4.462 4.350 -0.000 0.000 0.301 335 T C 1.029 175.673 174.700 -0.094 0.000 1.001 335 T CA -0.186 61.871 62.100 -0.072 0.000 1.147 335 T CB 1.339 70.172 68.868 -0.059 0.000 0.931 335 T HN 0.705 nan 8.240 nan 0.000 0.541 336 A N 2.658 125.432 122.820 -0.077 0.000 2.430 336 A HA 0.524 4.844 4.320 -0.000 0.000 0.243 336 A C 0.932 178.478 177.584 -0.064 0.000 1.254 336 A CA -0.316 51.675 52.037 -0.076 0.000 0.914 336 A CB 0.406 19.366 19.000 -0.067 0.000 0.998 336 A HN 0.595 nan 8.150 nan 0.000 0.515 337 S N -0.504 115.160 115.700 -0.061 0.000 2.541 337 S HA 0.468 4.938 4.470 -0.000 0.000 0.280 337 S C -0.303 174.264 174.600 -0.054 0.000 1.112 337 S CA -0.691 57.477 58.200 -0.054 0.000 0.925 337 S CB 1.569 64.739 63.200 -0.051 0.000 1.067 337 S HN 0.537 nan 8.310 nan 0.000 0.479 338 R N 2.731 123.201 120.500 -0.050 0.000 2.442 338 R HA 0.386 4.726 4.340 -0.000 0.000 0.291 338 R C -1.147 175.123 176.300 -0.051 0.000 1.069 338 R CA 0.005 56.075 56.100 -0.049 0.000 1.022 338 R CB 0.128 30.401 30.300 -0.045 0.000 0.976 338 R HN 0.543 nan 8.270 nan 0.000 0.443 339 L N 4.620 125.813 121.223 -0.050 0.000 2.322 339 L HA 0.426 4.766 4.340 -0.000 0.000 0.281 339 L C -0.397 176.442 176.870 -0.051 0.000 1.014 339 L CA -0.987 53.822 54.840 -0.052 0.000 0.815 339 L CB 1.941 43.972 42.059 -0.047 0.000 1.247 339 L HN 0.476 nan 8.230 nan 0.000 0.421 340 K N 3.024 123.388 120.400 -0.059 0.000 2.263 340 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 340 K C -0.603 175.967 176.600 -0.050 0.000 1.089 340 K CA -0.379 55.874 56.287 -0.057 0.000 0.907 340 K CB 1.002 33.459 32.500 -0.071 0.000 1.148 340 K HN 0.272 nan 8.250 nan 0.000 0.470 341 K N 1.206 121.581 120.400 -0.042 0.000 2.371 341 K HA 0.381 4.701 4.320 -0.000 0.000 0.251 341 K C -1.112 175.468 176.600 -0.032 0.000 0.934 341 K CA -0.406 55.858 56.287 -0.039 0.000 0.798 341 K CB 1.708 34.182 32.500 -0.043 0.000 1.204 341 K HN 0.309 nan 8.250 nan 0.000 0.427 342 T N 5.939 120.476 114.554 -0.027 0.000 2.771 342 T HA 0.410 4.760 4.350 -0.000 0.000 0.281 342 T C -2.539 172.148 174.700 -0.021 0.000 0.982 342 T CA -1.471 60.617 62.100 -0.020 0.000 0.978 342 T CB 1.392 70.252 68.868 -0.013 0.000 0.930 342 T HN 0.503 nan 8.240 nan 0.000 0.447 343 P HA 0.260 nan 4.420 nan 0.000 0.269 343 P C 1.088 178.379 177.300 -0.016 0.000 1.217 343 P CA 0.767 63.855 63.100 -0.021 0.000 0.783 343 P CB 0.351 32.040 31.700 -0.017 0.000 0.898 344 G N 0.509 109.298 108.800 -0.018 0.000 2.254 344 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.225 344 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.225 344 G C 0.148 175.042 174.900 -0.010 0.000 1.003 344 G CA -0.350 44.743 45.100 -0.011 0.000 0.622 344 G HN 0.599 nan 8.290 nan 0.000 0.507 345 R N -0.757 119.734 120.500 -0.015 0.000 2.771 345 R HA 0.614 4.954 4.340 -0.000 0.000 0.274 345 R C -1.251 175.025 176.300 -0.041 0.000 0.987 345 R CA -1.018 55.075 56.100 -0.013 0.000 0.908 345 R CB 1.959 32.264 30.300 0.009 0.000 1.213 345 R HN 0.234 nan 8.270 nan 0.000 0.468 346 L N 2.467 123.657 121.223 -0.055 0.000 2.312 346 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 346 L C -0.654 176.118 176.870 -0.164 0.000 1.091 346 L CA 0.003 54.759 54.840 -0.141 0.000 0.846 346 L CB 0.276 42.229 42.059 -0.177 0.000 1.219 346 L HN 0.393 nan 8.230 nan 0.000 0.439 347 D N 4.112 124.417 120.400 -0.157 0.000 2.317 347 D HA 0.100 4.739 4.640 -0.000 0.000 0.252 347 D C -0.652 175.537 176.300 -0.185 0.000 1.174 347 D CA 0.131 54.075 54.000 -0.093 0.000 0.866 347 D CB 0.402 41.167 40.800 -0.058 0.000 1.127 347 D HN 0.390 nan 8.370 nan 0.000 0.467 348 F N 3.400 123.287 119.950 -0.104 0.000 2.560 348 F HA 0.163 4.690 4.527 -0.000 0.000 0.338 348 F C 1.326 177.093 175.800 -0.054 0.000 1.201 348 F CA -0.574 57.324 58.000 -0.169 0.000 1.291 348 F CB 0.115 38.853 39.000 -0.436 0.000 1.627 348 F HN 0.154 nan 8.300 nan 0.000 0.588 349 Q N 0.933 120.788 119.800 0.092 0.000 2.614 349 Q HA 0.201 4.541 4.340 -0.000 0.000 0.244 349 Q C 0.099 176.180 176.000 0.135 0.000 1.097 349 Q CA 0.223 56.069 55.803 0.072 0.000 0.986 349 Q CB 0.777 29.517 28.738 0.005 0.000 1.308 349 Q HN 0.446 nan 8.270 nan 0.000 0.546 350 R N -0.874 119.638 120.500 0.021 0.000 2.637 350 R HA 0.706 5.046 4.340 -0.000 0.000 0.291 350 R C -0.618 175.600 176.300 -0.138 0.000 0.963 350 R CA -0.192 55.867 56.100 -0.069 0.000 0.901 350 R CB 2.102 32.299 30.300 -0.172 0.000 1.160 350 R HN 0.738 nan 8.270 nan 0.000 0.457 351 G N 0.106 108.758 108.800 -0.247 0.000 2.677 351 G HA2 0.471 4.431 3.960 -0.000 0.000 0.291 351 G HA3 0.471 4.431 3.960 -0.000 0.000 0.291 351 G C -1.758 172.985 174.900 -0.262 0.000 1.435 351 G CA -0.450 44.527 45.100 -0.205 0.000 0.826 351 G HN 0.355 nan 8.290 nan 0.000 0.491 352 V N 1.497 121.308 119.914 -0.172 0.000 2.325 352 V HA 0.339 4.459 4.120 -0.000 0.000 0.280 352 V C -0.165 175.863 176.094 -0.110 0.000 1.016 352 V CA -0.552 61.659 62.300 -0.148 0.000 0.818 352 V CB 0.884 32.646 31.823 -0.102 0.000 1.019 352 V HN 0.618 nan 8.190 nan 0.000 0.434 353 L N 5.594 126.747 121.223 -0.118 0.000 2.416 353 L HA 0.467 4.807 4.340 -0.000 0.000 0.272 353 L C 0.259 177.098 176.870 -0.051 0.000 1.161 353 L CA 1.030 55.826 54.840 -0.074 0.000 0.845 353 L CB 0.745 42.762 42.059 -0.070 0.000 1.119 353 L HN 0.852 nan 8.230 nan 0.000 0.464 354 Q N 3.919 123.699 119.800 -0.034 0.000 2.633 354 Q HA 0.385 4.725 4.340 -0.000 0.000 0.289 354 Q C -1.296 174.696 176.000 -0.015 0.000 0.940 354 Q CA -1.022 54.767 55.803 -0.023 0.000 0.785 354 Q CB 1.172 29.894 28.738 -0.026 0.000 1.467 354 Q HN 0.500 nan 8.270 nan 0.000 0.401 355 R N 1.748 122.242 120.500 -0.009 0.000 2.389 355 R HA 0.215 4.554 4.340 -0.000 0.000 0.295 355 R C 0.412 176.705 176.300 -0.011 0.000 1.075 355 R CA -0.017 56.080 56.100 -0.005 0.000 1.005 355 R CB 0.383 30.682 30.300 -0.001 0.000 0.987 355 R HN 0.713 nan 8.270 nan 0.000 0.452 356 N N 2.041 120.733 118.700 -0.012 0.000 2.374 356 N HA 0.051 4.791 4.740 -0.000 0.000 0.284 356 N C 0.679 176.182 175.510 -0.012 0.000 1.280 356 N CA 0.022 53.062 53.050 -0.017 0.000 0.963 356 N CB 0.053 38.526 38.487 -0.023 0.000 1.141 356 N HN 0.458 nan 8.380 nan 0.000 0.565 357 A N -1.247 121.564 122.820 -0.014 0.000 2.019 357 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 357 A C 1.399 178.979 177.584 -0.007 0.000 1.164 357 A CA 1.388 53.418 52.037 -0.010 0.000 0.644 357 A CB -0.662 18.331 19.000 -0.012 0.000 0.805 357 A HN 0.731 nan 8.150 nan 0.000 0.449 358 D N -1.464 118.932 120.400 -0.007 0.000 2.340 358 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 358 D C 1.317 177.618 176.300 0.003 0.000 1.039 358 D CA 0.984 54.983 54.000 -0.003 0.000 0.866 358 D CB 0.175 40.972 40.800 -0.003 0.000 0.913 358 D HN 0.565 nan 8.370 nan 0.000 0.523 359 G N 1.935 110.736 108.800 0.002 0.000 2.159 359 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 359 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 359 G C 0.004 174.911 174.900 0.012 0.000 0.977 359 G CA 0.350 45.454 45.100 0.006 0.000 0.652 359 G HN 0.457 nan 8.290 nan 0.000 0.531 360 E N -0.280 119.927 120.200 0.012 0.000 2.235 360 E HA 0.767 5.117 4.350 -0.000 0.000 0.265 360 E C -0.306 176.305 176.600 0.018 0.000 0.940 360 E CA -1.375 55.039 56.400 0.023 0.000 0.819 360 E CB 1.764 31.485 29.700 0.035 0.000 1.206 360 E HN 0.015 nan 8.360 nan 0.000 0.409 361 L N 2.008 123.250 121.223 0.032 0.000 2.417 361 L HA 0.232 4.572 4.340 -0.000 0.000 0.268 361 L C -0.052 176.829 176.870 0.019 0.000 1.158 361 L CA 0.453 55.308 54.840 0.025 0.000 0.819 361 L CB 0.107 42.187 42.059 0.036 0.000 1.112 361 L HN 0.808 nan 8.230 nan 0.000 0.458 362 E N 1.754 121.952 120.200 -0.003 0.000 2.397 362 E HA 0.455 4.805 4.350 -0.000 0.000 0.293 362 E C -1.439 175.142 176.600 -0.033 0.000 0.930 362 E CA -0.900 55.487 56.400 -0.022 0.000 0.793 362 E CB 1.093 30.767 29.700 -0.043 0.000 1.259 362 E HN 0.249 nan 8.360 nan 0.000 0.406 363 V N 1.028 120.921 119.914 -0.035 0.000 2.686 363 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 363 V C 0.037 176.097 176.094 -0.057 0.000 1.055 363 V CA -0.101 62.168 62.300 -0.051 0.000 1.050 363 V CB 1.187 32.980 31.823 -0.049 0.000 0.984 363 V HN 0.749 nan 8.190 nan 0.000 0.482 364 T N 2.296 116.811 114.554 -0.064 0.000 2.924 364 T HA 0.451 4.801 4.350 -0.000 0.000 0.291 364 T C 0.026 174.685 174.700 -0.068 0.000 1.045 364 T CA -0.144 61.920 62.100 -0.060 0.000 1.015 364 T CB 1.769 70.605 68.868 -0.054 0.000 1.103 364 T HN 1.098 nan 8.240 nan 0.000 0.496 365 T N 0.522 115.039 114.554 -0.060 0.000 2.868 365 T HA 0.228 4.578 4.350 -0.000 0.000 0.292 365 T C 1.723 176.386 174.700 -0.062 0.000 1.028 365 T CA 0.190 62.252 62.100 -0.063 0.000 1.059 365 T CB 0.508 69.344 68.868 -0.054 0.000 0.991 365 T HN 0.781 nan 8.240 nan 0.000 0.531 366 T N 0.534 115.047 114.554 -0.068 0.000 2.985 366 T HA 0.457 4.806 4.350 -0.000 0.000 0.266 366 T C 1.183 175.868 174.700 -0.026 0.000 1.076 366 T CA 0.606 62.670 62.100 -0.060 0.000 1.135 366 T CB -0.299 68.519 68.868 -0.084 0.000 0.890 366 T HN 1.173 nan 8.240 nan 0.000 0.480 367 G N 0.090 108.882 108.800 -0.014 0.000 2.291 367 G HA2 0.103 4.063 3.960 -0.000 0.000 0.249 367 G HA3 0.103 4.063 3.960 -0.000 0.000 0.249 367 G C -1.096 173.831 174.900 0.045 0.000 1.340 367 G CA -0.701 44.412 45.100 0.022 0.000 1.017 367 G HN 0.593 nan 8.290 nan 0.000 0.470 368 H N 1.299 120.381 119.070 0.020 0.000 3.167 368 H HA 0.214 4.769 4.556 -0.000 0.000 0.306 368 H C 0.913 176.265 175.328 0.039 0.000 0.965 368 H CA 0.954 57.028 56.048 0.043 0.000 1.408 368 H CB 0.734 30.561 29.762 0.108 0.000 1.406 368 H HN 0.308 nan 8.280 nan 0.000 0.576 369 Q N 4.118 123.989 119.800 0.117 0.000 2.237 369 Q HA 0.178 4.518 4.340 -0.000 0.000 0.252 369 Q C 0.521 176.658 176.000 0.228 0.000 0.877 369 Q CA 0.088 55.961 55.803 0.116 0.000 1.011 369 Q CB 0.673 29.420 28.738 0.014 0.000 1.118 369 Q HN 0.733 nan 8.270 nan 0.000 0.458 370 G N 0.858 109.972 108.800 0.523 0.000 2.432 370 G HA2 0.173 4.133 3.960 -0.000 0.000 0.257 370 G HA3 0.173 4.133 3.960 -0.000 0.000 0.257 370 G C 0.718 175.824 174.900 0.343 0.000 1.238 370 G CA -0.208 45.115 45.100 0.372 0.000 0.838 370 G HN 0.244 nan 8.290 nan 0.000 0.547 371 S N 0.635 116.484 115.700 0.248 0.000 2.593 371 S HA -0.090 4.379 4.470 -0.000 0.000 0.217 371 S C 1.578 176.339 174.600 0.269 0.000 0.966 371 S CA 0.570 58.908 58.200 0.231 0.000 0.914 371 S CB -0.317 62.993 63.200 0.183 0.000 0.776 371 S HN 0.825 nan 8.310 nan 0.000 0.523 372 H N 2.086 121.196 119.070 0.067 0.000 2.556 372 H HA 0.383 4.939 4.556 -0.000 0.000 0.273 372 H C 0.365 175.729 175.328 0.060 0.000 1.030 372 H CA -0.089 55.987 56.048 0.048 0.000 1.156 372 H CB -1.109 28.648 29.762 -0.008 0.000 1.326 372 H HN 0.767 nan 8.280 nan 0.000 0.609 373 I N -5.926 114.609 120.570 -0.057 0.000 2.842 373 I HA 0.252 4.422 4.170 -0.000 0.000 0.297 373 I C -0.822 175.390 176.117 0.158 0.000 1.380 373 I CA -1.137 60.116 61.300 -0.079 0.000 1.018 373 I CB 1.197 39.013 38.000 -0.307 0.000 1.311 373 I HN -0.200 nan 8.210 nan 0.000 0.439 374 F N 2.477 122.453 119.950 0.042 0.000 2.698 374 F HA 0.021 4.548 4.527 -0.000 0.000 0.295 374 F C 2.536 178.428 175.800 0.154 0.000 1.124 374 F CA 1.338 59.435 58.000 0.161 0.000 1.426 374 F CB 0.342 39.437 39.000 0.159 0.000 1.120 374 F HN 0.763 nan 8.300 nan 0.000 0.583 375 S N -0.027 115.740 115.700 0.112 0.000 2.389 375 S HA -0.309 4.161 4.470 -0.000 0.000 0.231 375 S C 2.245 176.818 174.600 -0.045 0.000 1.052 375 S CA 1.947 60.176 58.200 0.048 0.000 1.053 375 S CB -1.330 61.887 63.200 0.028 0.000 0.886 375 S HN 0.466 nan 8.310 nan 0.000 0.456 376 S N 1.284 116.897 115.700 -0.145 0.000 2.400 376 S HA -0.080 4.390 4.470 -0.000 0.000 0.232 376 S C 1.512 175.950 174.600 -0.271 0.000 1.025 376 S CA 1.291 59.361 58.200 -0.218 0.000 0.993 376 S CB -1.237 61.791 63.200 -0.287 0.000 0.808 376 S HN 0.625 nan 8.310 nan 0.000 0.478 377 F N 1.516 121.251 119.950 -0.357 0.000 2.365 377 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 377 F C 2.952 178.609 175.800 -0.238 0.000 1.090 377 F CA 0.920 58.591 58.000 -0.549 0.000 1.408 377 F CB -0.239 38.161 39.000 -0.999 0.000 1.060 377 F HN 0.266 nan 8.300 nan 0.000 0.534 378 S N 0.114 115.855 115.700 0.067 0.000 2.356 378 S HA -0.011 4.459 4.470 -0.000 0.000 0.219 378 S C 1.889 176.540 174.600 0.085 0.000 1.036 378 S CA 0.645 58.910 58.200 0.109 0.000 0.965 378 S CB -0.252 63.012 63.200 0.106 0.000 0.864 378 S HN 0.199 nan 8.310 nan 0.000 0.471 379 L N 1.188 122.430 121.223 0.031 0.000 2.291 379 L HA 0.193 4.533 4.340 -0.000 0.000 0.214 379 L C 1.444 178.297 176.870 -0.028 0.000 1.120 379 L CA 0.516 55.359 54.840 0.004 0.000 0.799 379 L CB -0.678 41.371 42.059 -0.017 0.000 0.925 379 L HN 0.241 nan 8.230 nan 0.000 0.446 380 G N -0.186 108.590 108.800 -0.039 0.000 2.502 380 G HA2 0.326 4.286 3.960 -0.000 0.000 0.305 380 G HA3 0.326 4.286 3.960 -0.000 0.000 0.305 380 G C 0.060 174.829 174.900 -0.218 0.000 1.190 380 G CA -0.258 44.725 45.100 -0.196 0.000 0.933 380 G HN 0.332 nan 8.290 nan 0.000 0.503 381 N N -2.190 116.141 118.700 -0.615 0.000 2.307 381 N HA 0.207 4.947 4.740 -0.000 0.000 0.248 381 N C -0.170 174.678 175.510 -1.104 0.000 1.322 381 N CA 0.021 52.729 53.050 -0.569 0.000 0.861 381 N CB -0.326 38.049 38.487 -0.186 0.000 1.303 381 N HN 0.972 nan 8.380 nan 0.000 0.498 382 C N -2.439 115.573 119.300 -2.147 0.000 3.034 382 C HA 0.618 5.078 4.460 -0.000 0.000 0.336 382 C C -1.688 172.651 174.990 -1.086 0.000 1.304 382 C CA -1.733 56.439 59.018 -1.410 0.000 1.197 382 C CB -0.185 27.257 27.740 -0.497 0.000 1.373 382 C HN 0.098 nan 8.230 nan 0.000 0.459 383 F N 1.408 121.228 119.950 -0.217 0.000 2.422 383 F HA 0.693 5.220 4.527 -0.000 0.000 0.333 383 F C 0.724 176.497 175.800 -0.044 0.000 1.095 383 F CA -0.925 57.067 58.000 -0.013 0.000 1.038 383 F CB 1.301 40.447 39.000 0.244 0.000 1.156 383 F HN 0.444 nan 8.300 nan 0.000 0.483 384 I N 4.033 124.690 120.570 0.144 0.000 2.291 384 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 384 I C -0.668 175.445 176.117 -0.008 0.000 1.050 384 I CA -0.635 60.693 61.300 0.046 0.000 1.245 384 I CB 0.746 38.744 38.000 -0.004 0.000 1.405 384 I HN 0.204 nan 8.210 nan 0.000 0.478 385 V N 7.990 127.869 119.914 -0.059 0.000 2.387 385 V HA 0.144 4.264 4.120 -0.000 0.000 0.260 385 V C 0.378 176.345 176.094 -0.212 0.000 1.054 385 V CA -0.133 62.000 62.300 -0.277 0.000 0.967 385 V CB 0.594 32.230 31.823 -0.311 0.000 1.036 385 V HN 0.501 nan 8.190 nan 0.000 0.481 386 L N 5.052 126.138 121.223 -0.227 0.000 2.259 386 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 386 L C 0.467 177.239 176.870 -0.164 0.000 1.051 386 L CA -0.701 54.051 54.840 -0.146 0.000 0.824 386 L CB 0.937 42.934 42.059 -0.102 0.000 1.206 386 L HN 0.602 nan 8.230 nan 0.000 0.429 387 E N 2.364 122.487 120.200 -0.128 0.000 2.760 387 E HA -0.160 4.190 4.350 -0.000 0.000 0.268 387 E C 1.062 177.604 176.600 -0.097 0.000 0.935 387 E CA 0.352 56.685 56.400 -0.112 0.000 0.960 387 E CB 0.323 29.979 29.700 -0.074 0.000 0.931 387 E HN 0.368 nan 8.360 nan 0.000 0.483 388 R N 2.591 123.034 120.500 -0.095 0.000 2.136 388 R HA -0.286 4.054 4.340 -0.000 0.000 0.242 388 R C 0.804 177.071 176.300 -0.054 0.000 1.131 388 R CA 2.316 58.372 56.100 -0.073 0.000 0.937 388 R CB -0.063 30.200 30.300 -0.060 0.000 0.863 388 R HN 0.578 nan 8.270 nan 0.000 0.435 389 D N -0.138 120.235 120.400 -0.046 0.000 2.317 389 D HA -0.047 4.593 4.640 -0.000 0.000 0.211 389 D C 0.555 176.836 176.300 -0.032 0.000 0.966 389 D CA 0.354 54.334 54.000 -0.034 0.000 0.876 389 D CB -0.179 40.603 40.800 -0.030 0.000 0.927 389 D HN 0.093 nan 8.370 nan 0.000 0.519 390 R N 0.171 120.648 120.500 -0.037 0.000 2.638 390 R HA 0.262 4.602 4.340 -0.000 0.000 0.268 390 R C 0.847 177.128 176.300 -0.031 0.000 1.006 390 R CA 0.360 56.441 56.100 -0.033 0.000 1.088 390 R CB 0.472 30.749 30.300 -0.038 0.000 0.950 390 R HN 0.050 nan 8.270 nan 0.000 0.419 391 G N 1.751 110.536 108.800 -0.026 0.000 2.857 391 G HA2 0.127 4.087 3.960 -0.000 0.000 0.217 391 G HA3 0.127 4.087 3.960 -0.000 0.000 0.217 391 G C -0.786 174.097 174.900 -0.028 0.000 1.357 391 G CA -0.752 44.332 45.100 -0.026 0.000 1.033 391 G HN 0.620 nan 8.290 nan 0.000 0.571 392 N N -0.772 117.911 118.700 -0.028 0.000 2.407 392 N HA 0.268 5.008 4.740 -0.000 0.000 0.250 392 N C -0.286 175.206 175.510 -0.030 0.000 1.236 392 N CA 0.055 53.086 53.050 -0.031 0.000 0.879 392 N CB 1.256 39.724 38.487 -0.031 0.000 1.088 392 N HN 0.164 nan 8.380 nan 0.000 0.450 393 V N 1.827 121.721 119.914 -0.033 0.000 2.448 393 V HA 0.301 4.420 4.120 -0.000 0.000 0.295 393 V C 0.186 176.256 176.094 -0.040 0.000 1.025 393 V CA -0.854 61.427 62.300 -0.032 0.000 0.859 393 V CB 1.608 33.413 31.823 -0.030 0.000 0.988 393 V HN 0.505 nan 8.190 nan 0.000 0.431 394 E N 2.209 122.384 120.200 -0.042 0.000 2.280 394 E HA 0.474 4.824 4.350 -0.000 0.000 0.261 394 E C -0.218 176.343 176.600 -0.065 0.000 1.088 394 E CA -0.724 55.646 56.400 -0.050 0.000 0.915 394 E CB 1.686 31.358 29.700 -0.047 0.000 1.141 394 E HN 0.362 nan 8.360 nan 0.000 0.433 395 V N 0.772 120.646 119.914 -0.068 0.000 2.901 395 V HA 0.203 4.323 4.120 -0.000 0.000 0.307 395 V C 1.636 177.664 176.094 -0.110 0.000 1.084 395 V CA 1.599 63.849 62.300 -0.083 0.000 1.184 395 V CB 0.266 32.045 31.823 -0.074 0.000 0.941 395 V HN 0.990 nan 8.190 nan 0.000 0.493 396 G N 2.530 111.240 108.800 -0.150 0.000 2.245 396 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 396 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 396 G C 0.244 174.966 174.900 -0.298 0.000 0.985 396 G CA 0.448 45.413 45.100 -0.225 0.000 0.625 396 G HN 0.712 nan 8.290 nan 0.000 0.536 397 E N -0.663 119.420 120.200 -0.195 0.000 2.422 397 E HA 0.283 4.632 4.350 -0.000 0.000 0.260 397 E C 0.066 176.566 176.600 -0.166 0.000 1.108 397 E CA -0.388 55.919 56.400 -0.154 0.000 0.943 397 E CB 0.346 30.014 29.700 -0.053 0.000 0.961 397 E HN 0.430 nan 8.360 nan 0.000 0.443 398 W N 1.078 122.362 121.300 -0.027 0.000 2.283 398 W HA 0.461 5.120 4.660 -0.000 0.000 0.341 398 W C -0.352 176.148 176.519 -0.032 0.000 1.206 398 W CA -0.343 56.985 57.345 -0.027 0.000 1.294 398 W CB 1.126 30.571 29.460 -0.024 0.000 1.154 398 W HN 0.141 nan 8.180 nan 0.000 0.613 399 V N 2.001 122.087 119.914 0.286 0.000 3.098 399 V HA 0.162 4.282 4.120 -0.000 0.000 0.294 399 V C -0.839 175.310 176.094 0.091 0.000 1.351 399 V CA -0.999 61.376 62.300 0.126 0.000 0.999 399 V CB 2.069 33.930 31.823 0.062 0.000 1.104 399 V HN 0.407 nan 8.190 nan 0.000 0.438 400 E N 2.401 122.621 120.200 0.034 0.000 2.354 400 E HA 0.516 4.865 4.350 -0.000 0.000 0.269 400 E C -0.999 175.618 176.600 0.028 0.000 1.036 400 E CA -0.021 56.391 56.400 0.019 0.000 0.876 400 E CB 1.907 31.601 29.700 -0.011 0.000 1.009 400 E HN 0.401 nan 8.360 nan 0.000 0.416 401 V N 2.480 122.421 119.914 0.045 0.000 2.668 401 V HA 0.148 4.268 4.120 -0.000 0.000 0.304 401 V C -0.500 175.645 176.094 0.084 0.000 1.071 401 V CA -0.631 61.701 62.300 0.054 0.000 0.894 401 V CB 2.096 33.938 31.823 0.031 0.000 1.008 401 V HN 0.598 nan 8.190 nan 0.000 0.425 402 E N 6.679 126.967 120.200 0.146 0.000 2.145 402 E HA 0.464 4.813 4.350 -0.000 0.000 0.262 402 E C -2.690 174.007 176.600 0.161 0.000 0.883 402 E CA -2.165 54.359 56.400 0.207 0.000 0.748 402 E CB 2.168 32.090 29.700 0.370 0.000 1.140 402 E HN 0.381 nan 8.360 nan 0.000 0.417 403 P HA -0.024 nan 4.420 nan 0.000 0.265 403 P C -0.250 177.177 177.300 0.211 0.000 1.193 403 P CA -0.020 63.115 63.100 0.058 0.000 0.765 403 P CB 0.212 31.959 31.700 0.079 0.000 0.823 404 F N 2.312 122.262 119.950 -0.001 0.000 2.605 404 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 404 F C 1.583 177.508 175.800 0.208 0.000 1.272 404 F CA 0.488 58.539 58.000 0.085 0.000 1.332 404 F CB -0.563 38.477 39.000 0.067 0.000 1.215 404 F HN 0.462 nan 8.300 nan 0.000 0.556 405 N N -1.666 117.322 118.700 0.481 0.000 3.157 405 N HA 0.519 5.259 4.740 -0.000 0.000 0.291 405 N C 0.109 175.724 175.510 0.175 0.000 1.515 405 N CA -0.160 53.053 53.050 0.273 0.000 0.807 405 N CB 0.528 39.141 38.487 0.210 0.000 1.672 405 N HN 0.464 nan 8.380 nan 0.000 0.592 406 A N -0.078 122.800 122.820 0.097 0.000 2.016 406 A HA -0.257 4.062 4.320 -0.000 0.000 0.225 406 A C 1.836 179.410 177.584 -0.017 0.000 1.230 406 A CA 2.182 54.246 52.037 0.045 0.000 0.678 406 A CB -1.541 17.475 19.000 0.027 0.000 0.826 406 A HN 0.620 nan 8.150 nan 0.000 0.484 407 L N -3.043 118.110 121.223 -0.117 0.000 2.141 407 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 407 L C 1.468 178.078 176.870 -0.434 0.000 1.094 407 L CA 0.988 55.630 54.840 -0.330 0.000 0.763 407 L CB -0.290 41.449 42.059 -0.535 0.000 0.908 407 L HN 0.467 nan 8.230 nan 0.000 0.437 408 F N -0.299 119.639 119.950 -0.020 0.000 2.708 408 F HA 0.434 4.961 4.527 -0.000 0.000 0.300 408 F C 1.287 177.112 175.800 0.041 0.000 1.118 408 F CA -0.118 57.843 58.000 -0.066 0.000 1.307 408 F CB 0.264 39.068 39.000 -0.327 0.000 0.986 408 F HN 0.080 nan 8.300 nan 0.000 0.522 409 G N 0.000 108.893 108.800 0.155 0.000 5.446 409 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 409 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 409 G CA 0.000 45.179 45.100 0.131 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925