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 2nqq_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 QRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA 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 0.000 176.874 176.870 0.007 0.000 1.165 7 L CA 0.000 54.859 54.840 0.032 0.000 0.813 7 L CB 0.000 42.091 42.059 0.053 0.000 0.961 8 M N 1.381 120.982 119.600 0.001 0.000 2.185 8 M HA 0.381 4.849 4.480 -0.019 0.000 0.357 8 M C 0.170 176.419 176.300 -0.084 0.000 1.260 8 M CA 0.109 55.364 55.300 -0.076 0.000 1.124 8 M CB 1.372 33.878 32.600 -0.156 0.000 1.600 8 M HN 0.312 nan 8.290 nan 0.000 0.467 9 S N 3.346 118.984 115.700 -0.103 0.000 2.600 9 S HA 0.191 4.650 4.470 -0.019 0.000 0.265 9 S C 0.884 175.415 174.600 -0.114 0.000 1.325 9 S CA -0.747 57.403 58.200 -0.083 0.000 1.002 9 S CB 0.798 63.953 63.200 -0.075 0.000 0.921 9 S HN 0.892 nan 8.310 nan 0.000 0.554 10 L N 1.933 123.113 121.223 -0.070 0.000 2.068 10 L HA -0.023 4.305 4.340 -0.019 0.000 0.204 10 L C 2.272 179.073 176.870 -0.115 0.000 1.076 10 L CA 1.995 56.789 54.840 -0.076 0.000 0.753 10 L CB -0.940 41.125 42.059 0.010 0.000 0.910 10 L HN 0.947 nan 8.230 nan 0.000 0.439 11 D N -0.694 119.655 120.400 -0.086 0.000 2.133 11 D HA -0.253 4.376 4.640 -0.019 0.000 0.195 11 D C 1.646 177.864 176.300 -0.138 0.000 0.997 11 D CA 2.139 56.082 54.000 -0.095 0.000 0.840 11 D CB 0.220 40.980 40.800 -0.066 0.000 0.947 11 D HN 0.285 nan 8.370 nan 0.000 0.452 12 T N 0.236 114.692 114.554 -0.163 0.000 2.737 12 T HA -0.020 4.319 4.350 -0.019 0.000 0.265 12 T C 2.016 176.518 174.700 -0.330 0.000 1.038 12 T CA 1.686 63.660 62.100 -0.209 0.000 1.144 12 T CB -0.395 68.350 68.868 -0.204 0.000 0.866 12 T HN 0.347 nan 8.240 nan 0.000 0.434 13 A N 1.006 123.563 122.820 -0.438 0.000 1.908 13 A HA 0.003 4.311 4.320 -0.019 0.000 0.218 13 A C 2.292 179.649 177.584 -0.377 0.000 1.181 13 A CA 1.223 52.857 52.037 -0.670 0.000 0.627 13 A CB -0.850 17.818 19.000 -0.553 0.000 0.818 13 A HN 0.488 nan 8.150 nan 0.000 0.445 14 L N -0.646 120.426 121.223 -0.253 0.000 2.109 14 L HA -0.173 4.156 4.340 -0.019 0.000 0.207 14 L C 2.160 178.919 176.870 -0.185 0.000 1.086 14 L CA 1.638 56.355 54.840 -0.206 0.000 0.760 14 L CB -0.403 41.553 42.059 -0.170 0.000 0.910 14 L HN 0.534 nan 8.230 nan 0.000 0.437 15 N N -0.615 117.986 118.700 -0.164 0.000 2.216 15 N HA -0.237 4.492 4.740 -0.019 0.000 0.183 15 N C 1.599 177.040 175.510 -0.114 0.000 1.017 15 N CA 0.875 53.850 53.050 -0.125 0.000 0.861 15 N CB 0.059 38.484 38.487 -0.104 0.000 0.986 15 N HN 0.266 nan 8.380 nan 0.000 0.428 16 E N 0.899 121.015 120.200 -0.139 0.000 2.085 16 E HA -0.167 4.171 4.350 -0.019 0.000 0.194 16 E C 1.823 178.402 176.600 -0.035 0.000 0.994 16 E CA 1.306 57.671 56.400 -0.058 0.000 0.801 16 E CB 0.112 29.766 29.700 -0.076 0.000 0.743 16 E HN 0.318 nan 8.360 nan 0.000 0.453 17 M N -0.370 119.129 119.600 -0.168 0.000 2.123 17 M HA -0.107 4.361 4.480 -0.019 0.000 0.263 17 M C 2.196 178.342 176.300 -0.257 0.000 1.069 17 M CA 1.182 56.260 55.300 -0.371 0.000 1.133 17 M CB -0.141 32.060 32.600 -0.666 0.000 1.356 17 M HN 0.148 nan 8.290 nan 0.000 0.415 18 L N -0.197 120.903 121.223 -0.204 0.000 2.141 18 L HA -0.132 4.196 4.340 -0.019 0.000 0.209 18 L C 2.731 179.530 176.870 -0.119 0.000 1.094 18 L CA 1.282 56.020 54.840 -0.170 0.000 0.763 18 L CB -0.811 41.164 42.059 -0.139 0.000 0.908 18 L HN 0.429 nan 8.230 nan 0.000 0.437 19 S N -0.407 115.245 115.700 -0.080 0.000 2.447 19 S HA -0.108 4.351 4.470 -0.019 0.000 0.233 19 S C 1.987 176.583 174.600 -0.006 0.000 1.006 19 S CA 0.469 58.649 58.200 -0.033 0.000 0.957 19 S CB -0.186 63.006 63.200 -0.013 0.000 0.773 19 S HN 0.397 nan 8.310 nan 0.000 0.507 20 R N 0.369 120.854 120.500 -0.026 0.000 2.254 20 R HA 0.301 4.629 4.340 -0.019 0.000 0.195 20 R C -0.090 176.205 176.300 -0.009 0.000 0.957 20 R CA 0.137 56.257 56.100 0.033 0.000 1.024 20 R CB -0.021 30.315 30.300 0.059 0.000 0.952 20 R HN 0.315 nan 8.270 nan 0.000 0.484 21 V N 2.076 121.889 119.914 -0.169 0.000 2.546 21 V HA 0.110 4.219 4.120 -0.019 0.000 0.284 21 V C 0.255 176.352 176.094 0.004 0.000 1.050 21 V CA 0.155 62.353 62.300 -0.169 0.000 0.981 21 V CB 1.717 33.357 31.823 -0.306 0.000 0.990 21 V HN 0.091 nan 8.190 nan 0.000 0.474 22 T N 7.241 121.856 114.554 0.102 0.000 2.771 22 T HA 0.417 4.755 4.350 -0.019 0.000 0.281 22 T C -2.455 172.287 174.700 0.070 0.000 0.982 22 T CA -1.027 61.124 62.100 0.086 0.000 0.978 22 T CB 1.522 70.462 68.868 0.119 0.000 0.930 22 T HN 0.464 nan 8.240 nan 0.000 0.447 23 P HA 0.138 nan 4.420 nan 0.000 0.267 23 P C -0.317 177.009 177.300 0.043 0.000 1.200 23 P CA -0.717 62.400 63.100 0.028 0.000 0.772 23 P CB 0.391 32.098 31.700 0.011 0.000 0.855 24 L N 2.402 123.650 121.223 0.041 0.000 2.483 24 L HA 0.098 4.427 4.340 -0.019 0.000 0.276 24 L C 1.568 178.455 176.870 0.028 0.000 1.213 24 L CA 1.250 56.114 54.840 0.041 0.000 0.843 24 L CB -0.119 41.962 42.059 0.037 0.000 1.107 24 L HN 0.603 nan 8.230 nan 0.000 0.487 25 T N -1.191 113.379 114.554 0.028 0.000 2.954 25 T HA 0.391 4.729 4.350 -0.019 0.000 0.252 25 T C 0.633 175.343 174.700 0.018 0.000 0.983 25 T CA 0.278 62.391 62.100 0.021 0.000 0.941 25 T CB -0.004 68.876 68.868 0.021 0.000 1.141 25 T HN 0.593 nan 8.240 nan 0.000 0.500 26 A N 2.379 125.211 122.820 0.020 0.000 2.531 26 A HA 0.522 4.830 4.320 -0.019 0.000 0.236 26 A C 0.285 177.877 177.584 0.014 0.000 1.062 26 A CA -0.251 51.796 52.037 0.017 0.000 0.760 26 A CB -0.059 18.951 19.000 0.018 0.000 0.995 26 A HN 0.784 nan 8.150 nan 0.000 0.501 27 Q N 0.741 120.548 119.800 0.012 0.000 2.544 27 Q HA 0.760 5.088 4.340 -0.019 0.000 0.291 27 Q C -1.189 174.817 176.000 0.009 0.000 1.068 27 Q CA -0.938 54.871 55.803 0.010 0.000 0.785 27 Q CB 1.714 30.457 28.738 0.009 0.000 1.481 27 Q HN 0.791 nan 8.270 nan 0.000 0.430 28 E N -0.078 120.127 120.200 0.008 0.000 2.392 28 E HA 0.541 4.879 4.350 -0.019 0.000 0.279 28 E C -1.345 175.260 176.600 0.008 0.000 0.964 28 E CA -1.028 55.377 56.400 0.008 0.000 0.777 28 E CB 2.149 31.855 29.700 0.009 0.000 1.249 28 E HN 0.477 nan 8.360 nan 0.000 0.449 29 T N 2.241 116.800 114.554 0.009 0.000 2.771 29 T HA 0.558 4.897 4.350 -0.019 0.000 0.281 29 T C -0.573 174.133 174.700 0.010 0.000 0.982 29 T CA -0.515 61.590 62.100 0.009 0.000 0.978 29 T CB 0.283 69.157 68.868 0.010 0.000 0.930 29 T HN 0.315 nan 8.240 nan 0.000 0.447 30 L N 4.653 125.882 121.223 0.010 0.000 2.393 30 L HA 0.549 4.878 4.340 -0.019 0.000 0.260 30 L C -2.402 174.476 176.870 0.013 0.000 1.002 30 L CA -2.821 52.026 54.840 0.012 0.000 0.818 30 L CB 2.507 44.573 42.059 0.012 0.000 1.369 30 L HN 0.347 nan 8.230 nan 0.000 0.412 31 P HA 0.104 nan 4.420 nan 0.000 0.269 31 P C 0.811 178.123 177.300 0.019 0.000 1.215 31 P CA -0.225 62.885 63.100 0.017 0.000 0.780 31 P CB 0.813 32.523 31.700 0.018 0.000 0.898 32 L N 2.160 123.395 121.223 0.020 0.000 2.079 32 L HA -0.155 4.174 4.340 -0.019 0.000 0.210 32 L C 2.481 179.371 176.870 0.033 0.000 1.081 32 L CA 1.307 56.160 54.840 0.021 0.000 0.752 32 L CB -0.847 41.226 42.059 0.023 0.000 0.896 32 L HN 0.233 nan 8.230 nan 0.000 0.433 33 V N -0.244 119.691 119.914 0.036 0.000 2.867 33 V HA -0.251 3.858 4.120 -0.019 0.000 0.260 33 V C 1.963 178.090 176.094 0.054 0.000 1.099 33 V CA 1.680 64.006 62.300 0.044 0.000 1.122 33 V CB -0.227 31.615 31.823 0.031 0.000 0.708 33 V HN 0.554 nan 8.190 nan 0.000 0.490 34 Q N -2.209 117.619 119.800 0.046 0.000 2.247 34 Q HA 0.109 4.438 4.340 -0.019 0.000 0.204 34 Q C 1.561 177.595 176.000 0.056 0.000 0.872 34 Q CA 0.267 56.099 55.803 0.048 0.000 0.951 34 Q CB 0.364 29.121 28.738 0.032 0.000 1.099 34 Q HN 0.649 nan 8.270 nan 0.000 0.501 35 C N 0.497 119.829 119.300 0.054 0.000 2.791 35 C HA 0.201 4.650 4.460 -0.019 0.000 0.270 35 C C 0.671 175.671 174.990 0.018 0.000 1.257 35 C CA -0.757 58.273 59.018 0.020 0.000 1.699 35 C CB -1.333 26.396 27.740 -0.019 0.000 1.904 35 C HN 0.393 nan 8.230 nan 0.000 0.603 36 F N 1.404 121.338 119.950 -0.026 0.000 2.602 36 F HA 0.374 4.889 4.527 -0.019 0.000 0.385 36 F C 1.490 177.272 175.800 -0.029 0.000 1.063 36 F CA 1.929 59.912 58.000 -0.029 0.000 1.233 36 F CB 0.411 39.398 39.000 -0.022 0.000 1.067 36 F HN 0.470 nan 8.300 nan 0.000 0.564 37 G N 3.896 112.438 108.800 -0.429 0.000 2.175 37 G HA2 -0.297 3.652 3.960 -0.019 0.000 0.265 37 G HA3 -0.297 3.652 3.960 -0.019 0.000 0.265 37 G C 0.473 175.309 174.900 -0.106 0.000 0.979 37 G CA -0.072 44.913 45.100 -0.191 0.000 0.663 37 G HN 0.581 nan 8.290 nan 0.000 0.533 38 R N -0.223 120.213 120.500 -0.106 0.000 2.528 38 R HA 0.526 4.854 4.340 -0.019 0.000 0.271 38 R C 0.559 176.805 176.300 -0.091 0.000 1.056 38 R CA -0.843 55.217 56.100 -0.067 0.000 1.117 38 R CB 0.523 30.800 30.300 -0.039 0.000 1.085 38 R HN 0.166 nan 8.270 nan 0.000 0.530 39 I N 3.197 123.730 120.570 -0.061 0.000 2.315 39 I HA 0.210 4.368 4.170 -0.019 0.000 0.291 39 I C 0.798 176.889 176.117 -0.044 0.000 1.006 39 I CA -0.892 60.373 61.300 -0.059 0.000 1.265 39 I CB 0.443 38.419 38.000 -0.041 0.000 1.387 39 I HN 0.339 nan 8.210 nan 0.000 0.475 40 L N 5.069 126.263 121.223 -0.048 0.000 2.578 40 L HA -0.038 4.290 4.340 -0.019 0.000 0.279 40 L C 1.489 178.355 176.870 -0.007 0.000 1.227 40 L CA 0.089 54.915 54.840 -0.023 0.000 0.900 40 L CB 0.769 42.823 42.059 -0.008 0.000 1.144 40 L HN 0.803 nan 8.230 nan 0.000 0.496 41 A N 2.600 125.420 122.820 -0.001 0.000 2.081 41 A HA 0.139 4.447 4.320 -0.019 0.000 0.214 41 A C 0.840 178.429 177.584 0.010 0.000 1.158 41 A CA 0.467 52.507 52.037 0.004 0.000 0.724 41 A CB 0.187 19.190 19.000 0.005 0.000 0.826 41 A HN 0.619 nan 8.150 nan 0.000 0.463 42 S N 0.421 116.129 115.700 0.014 0.000 2.540 42 S HA 0.392 4.851 4.470 -0.019 0.000 0.275 42 S C -1.658 172.959 174.600 0.028 0.000 1.123 42 S CA -0.919 57.292 58.200 0.018 0.000 0.907 42 S CB 1.277 64.487 63.200 0.016 0.000 1.081 42 S HN 0.322 nan 8.310 nan 0.000 0.476 43 D N 1.781 122.198 120.400 0.029 0.000 2.648 43 D HA 0.027 4.655 4.640 -0.019 0.000 0.229 43 D C -0.236 176.089 176.300 0.042 0.000 1.119 43 D CA 0.611 54.633 54.000 0.037 0.000 0.850 43 D CB 0.319 41.130 40.800 0.019 0.000 1.169 43 D HN 0.134 nan 8.370 nan 0.000 0.489 44 V N 3.830 123.786 119.914 0.069 0.000 2.408 44 V HA 0.151 4.259 4.120 -0.019 0.000 0.267 44 V C 0.414 176.518 176.094 0.016 0.000 1.047 44 V CA -0.538 61.801 62.300 0.065 0.000 0.937 44 V CB 1.304 33.213 31.823 0.143 0.000 0.999 44 V HN 0.209 nan 8.190 nan 0.000 0.472 45 V N 4.185 124.101 119.914 0.003 0.000 2.435 45 V HA 0.375 4.484 4.120 -0.019 0.000 0.290 45 V C 0.453 176.534 176.094 -0.023 0.000 1.030 45 V CA -0.402 61.887 62.300 -0.019 0.000 0.881 45 V CB 1.882 33.697 31.823 -0.013 0.000 0.983 45 V HN 0.839 nan 8.190 nan 0.000 0.445 46 S N 5.841 121.516 115.700 -0.041 0.000 2.505 46 S HA 0.302 4.761 4.470 -0.019 0.000 0.276 46 S C -1.311 173.270 174.600 -0.031 0.000 1.274 46 S CA -1.069 57.108 58.200 -0.039 0.000 1.053 46 S CB 1.105 64.270 63.200 -0.058 0.000 0.919 46 S HN 0.663 nan 8.310 nan 0.000 0.490 47 P HA 0.161 nan 4.420 nan 0.000 0.236 47 P C -0.550 176.730 177.300 -0.032 0.000 1.177 47 P CA 0.316 63.403 63.100 -0.022 0.000 0.773 47 P CB -0.172 31.521 31.700 -0.012 0.000 0.878 48 L N -4.131 117.068 121.223 -0.039 0.000 2.359 48 L HA 0.658 4.987 4.340 -0.019 0.000 0.256 48 L C -0.706 176.123 176.870 -0.069 0.000 1.026 48 L CA -1.370 53.437 54.840 -0.055 0.000 0.828 48 L CB -0.021 42.010 42.059 -0.047 0.000 1.406 48 L HN -0.416 nan 8.230 nan 0.000 0.413 49 D N 0.945 121.288 120.400 -0.096 0.000 2.389 49 D HA 0.452 5.080 4.640 -0.019 0.000 0.247 49 D C -0.657 175.590 176.300 -0.088 0.000 1.128 49 D CA 0.225 54.163 54.000 -0.104 0.000 0.884 49 D CB 1.898 42.607 40.800 -0.151 0.000 1.194 49 D HN 0.419 nan 8.370 nan 0.000 0.441 50 V N 4.832 124.706 119.914 -0.068 0.000 2.444 50 V HA 0.302 4.410 4.120 -0.019 0.000 0.294 50 V C -2.102 173.967 176.094 -0.041 0.000 1.022 50 V CA -1.629 60.643 62.300 -0.046 0.000 0.850 50 V CB 1.992 33.794 31.823 -0.035 0.000 0.992 50 V HN 0.421 nan 8.190 nan 0.000 0.426 51 P HA 0.154 nan 4.420 nan 0.000 0.274 51 P C 1.003 178.270 177.300 -0.055 0.000 1.246 51 P CA 0.041 63.130 63.100 -0.018 0.000 0.795 51 P CB 1.171 32.877 31.700 0.009 0.000 1.006 52 G N -0.024 108.751 108.800 -0.042 0.000 2.432 52 G HA2 -0.070 3.878 3.960 -0.019 0.000 0.219 52 G HA3 -0.070 3.878 3.960 -0.019 0.000 0.219 52 G C -0.013 174.664 174.900 -0.372 0.000 1.135 52 G CA 0.650 45.664 45.100 -0.143 0.000 0.767 52 G HN 0.450 nan 8.290 nan 0.000 0.550 53 F N -0.720 119.226 119.950 -0.007 0.000 2.613 53 F HA 0.315 4.831 4.527 -0.019 0.000 0.310 53 F C -0.797 174.991 175.800 -0.020 0.000 1.085 53 F CA -1.294 56.698 58.000 -0.013 0.000 0.945 53 F CB 1.510 40.503 39.000 -0.013 0.000 1.298 53 F HN -0.231 nan 8.300 nan 0.000 0.455 54 D N 2.592 123.097 120.400 0.176 0.000 2.877 54 D HA -0.004 4.624 4.640 -0.019 0.000 0.220 54 D C -0.447 175.892 176.300 0.066 0.000 1.089 54 D CA 1.170 55.221 54.000 0.085 0.000 0.811 54 D CB -0.059 40.781 40.800 0.068 0.000 1.162 54 D HN 0.576 nan 8.370 nan 0.000 0.513 55 N N -0.555 118.165 118.700 0.035 0.000 2.647 55 N HA 0.284 5.012 4.740 -0.019 0.000 0.266 55 N C -1.159 174.354 175.510 0.004 0.000 1.373 55 N CA -0.862 52.200 53.050 0.019 0.000 0.807 55 N CB 1.288 39.793 38.487 0.030 0.000 1.513 55 N HN 0.049 nan 8.380 nan 0.000 0.505 56 S N -1.120 114.577 115.700 -0.005 0.000 2.548 56 S HA 0.549 5.007 4.470 -0.019 0.000 0.277 56 S C 0.874 175.475 174.600 0.001 0.000 1.315 56 S CA -0.013 58.182 58.200 -0.009 0.000 1.050 56 S CB 0.129 63.314 63.200 -0.024 0.000 0.918 56 S HN 0.759 nan 8.310 nan 0.000 0.497 57 A N 4.935 127.757 122.820 0.003 0.000 2.147 57 A HA 0.423 4.731 4.320 -0.019 0.000 0.211 57 A C 0.651 178.241 177.584 0.009 0.000 1.160 57 A CA 0.418 52.459 52.037 0.007 0.000 0.781 57 A CB -0.008 18.997 19.000 0.008 0.000 0.842 57 A HN 0.754 nan 8.150 nan 0.000 0.475 58 M N 0.100 119.704 119.600 0.006 0.000 2.667 58 M HA 0.298 4.766 4.480 -0.019 0.000 0.286 58 M C -1.700 174.595 176.300 -0.008 0.000 1.270 58 M CA -0.915 54.389 55.300 0.007 0.000 0.826 58 M CB 2.251 34.861 32.600 0.017 0.000 1.743 58 M HN 0.283 nan 8.290 nan 0.000 0.460 59 D N 0.350 120.742 120.400 -0.013 0.000 2.163 59 D HA 0.712 5.340 4.640 -0.019 0.000 0.248 59 D C -0.014 176.242 176.300 -0.074 0.000 1.035 59 D CA -0.330 53.639 54.000 -0.052 0.000 0.872 59 D CB 2.256 43.032 40.800 -0.039 0.000 1.183 59 D HN 0.760 nan 8.370 nan 0.000 0.445 60 G N 0.541 109.226 108.800 -0.191 0.000 2.294 60 G HA2 0.143 4.092 3.960 -0.019 0.000 0.061 60 G HA3 0.143 4.092 3.960 -0.019 0.000 0.061 60 G C -1.846 172.702 174.900 -0.586 0.000 0.835 60 G CA -0.643 44.319 45.100 -0.231 0.000 1.182 60 G HN 0.434 nan 8.290 nan 0.000 0.449 61 Y N 0.760 121.103 120.300 0.071 0.000 2.441 61 Y HA 0.720 5.258 4.550 -0.019 0.000 0.334 61 Y C 0.345 176.267 175.900 0.037 0.000 1.061 61 Y CA -0.354 57.791 58.100 0.075 0.000 1.032 61 Y CB 2.190 40.773 38.460 0.205 0.000 1.266 61 Y HN 0.812 nan 8.280 nan 0.000 0.441 62 A N 2.819 125.694 122.820 0.091 0.000 2.366 62 A HA 0.754 5.062 4.320 -0.019 0.000 0.272 62 A C -0.156 177.434 177.584 0.011 0.000 1.135 62 A CA -0.210 51.837 52.037 0.016 0.000 0.804 62 A CB 0.103 19.077 19.000 -0.044 0.000 1.064 62 A HN 0.984 nan 8.150 nan 0.000 0.499 63 V N 0.436 120.322 119.914 -0.048 0.000 3.156 63 V HA 0.934 5.042 4.120 -0.019 0.000 0.310 63 V C -0.433 175.613 176.094 -0.079 0.000 1.234 63 V CA -1.151 61.087 62.300 -0.103 0.000 1.065 63 V CB 1.632 33.272 31.823 -0.304 0.000 1.088 63 V HN 0.943 nan 8.190 nan 0.000 0.451 64 R N -0.671 119.780 120.500 -0.082 0.000 2.923 64 R HA 0.736 5.065 4.340 -0.019 0.000 0.252 64 R C 1.037 177.296 176.300 -0.068 0.000 1.130 64 R CA -0.088 55.985 56.100 -0.045 0.000 1.043 64 R CB 1.236 31.534 30.300 -0.004 0.000 1.205 64 R HN 0.897 nan 8.270 nan 0.000 0.495 65 L N -1.025 120.175 121.223 -0.038 0.000 1.948 65 L HA 0.108 4.436 4.340 -0.019 0.000 0.212 65 L C 1.671 178.517 176.870 -0.041 0.000 1.074 65 L CA 2.036 56.854 54.840 -0.037 0.000 0.753 65 L CB -0.846 41.203 42.059 -0.017 0.000 0.888 65 L HN 0.570 nan 8.230 nan 0.000 0.432 66 A N 0.347 123.151 122.820 -0.027 0.000 2.095 66 A HA -0.019 4.290 4.320 -0.019 0.000 0.212 66 A C 1.667 179.236 177.584 -0.024 0.000 1.162 66 A CA 0.718 52.742 52.037 -0.022 0.000 0.753 66 A CB -0.737 18.257 19.000 -0.011 0.000 0.840 66 A HN 0.703 nan 8.150 nan 0.000 0.468 67 D N -0.428 119.954 120.400 -0.030 0.000 2.371 67 D HA -0.027 4.601 4.640 -0.019 0.000 0.221 67 D C 1.257 177.530 176.300 -0.045 0.000 0.986 67 D CA 0.466 54.450 54.000 -0.027 0.000 0.899 67 D CB -0.216 40.573 40.800 -0.018 0.000 0.902 67 D HN 0.432 nan 8.370 nan 0.000 0.530 68 I N 0.075 120.597 120.570 -0.079 0.000 2.867 68 I HA 0.129 4.287 4.170 -0.019 0.000 0.265 68 I C 2.104 178.197 176.117 -0.039 0.000 1.162 68 I CA 0.304 61.548 61.300 -0.093 0.000 1.471 68 I CB 0.156 38.046 38.000 -0.184 0.000 1.123 68 I HN 0.049 nan 8.210 nan 0.000 0.440 69 A N -0.256 122.544 122.820 -0.033 0.000 2.209 69 A HA -0.106 4.202 4.320 -0.019 0.000 0.212 69 A C 2.252 179.831 177.584 -0.008 0.000 1.158 69 A CA 1.304 53.331 52.037 -0.017 0.000 0.742 69 A CB -0.682 18.308 19.000 -0.017 0.000 0.790 69 A HN 0.503 nan 8.150 nan 0.000 0.472 70 S N -1.715 113.981 115.700 -0.006 0.000 2.528 70 S HA 0.342 4.800 4.470 -0.019 0.000 0.219 70 S C 1.430 176.034 174.600 0.008 0.000 0.985 70 S CA 0.989 59.189 58.200 0.000 0.000 0.914 70 S CB -0.435 62.765 63.200 0.000 0.000 0.776 70 S HN 1.823 nan 8.310 nan 0.000 0.526 71 G N 1.439 110.247 108.800 0.014 0.000 2.176 71 G HA2 -0.274 3.675 3.960 -0.019 0.000 0.252 71 G HA3 -0.274 3.675 3.960 -0.019 0.000 0.252 71 G C -0.260 174.655 174.900 0.025 0.000 1.024 71 G CA 0.491 45.604 45.100 0.022 0.000 0.755 71 G HN 1.029 nan 8.290 nan 0.000 0.507 72 Q N -0.745 119.075 119.800 0.032 0.000 2.528 72 Q HA 0.815 5.143 4.340 -0.019 0.000 0.289 72 Q C -2.980 173.046 176.000 0.043 0.000 1.091 72 Q CA -2.266 53.553 55.803 0.027 0.000 0.797 72 Q CB 2.636 31.383 28.738 0.015 0.000 1.466 72 Q HN 0.141 nan 8.270 nan 0.000 0.436 73 P HA 0.217 nan 4.420 nan 0.000 0.274 73 P C -0.996 176.319 177.300 0.025 0.000 1.231 73 P CA -0.194 62.912 63.100 0.011 0.000 0.790 73 P CB 0.614 32.297 31.700 -0.028 0.000 0.951 74 L N 3.076 124.320 121.223 0.034 0.000 2.377 74 L HA 0.404 4.732 4.340 -0.019 0.000 0.270 74 L C -2.459 174.416 176.870 0.009 0.000 0.991 74 L CA -2.537 52.335 54.840 0.054 0.000 0.851 74 L CB 1.830 43.978 42.059 0.147 0.000 1.218 74 L HN 0.115 nan 8.230 nan 0.000 0.420 75 P HA 0.014 nan 4.420 nan 0.000 0.270 75 P C -0.380 176.929 177.300 0.015 0.000 1.223 75 P CA -0.267 62.832 63.100 -0.001 0.000 0.785 75 P CB 0.672 32.377 31.700 0.008 0.000 0.923 76 V N 1.440 121.369 119.914 0.026 0.000 2.352 76 V HA 0.225 4.334 4.120 -0.019 0.000 0.253 76 V C 1.451 177.557 176.094 0.021 0.000 1.083 76 V CA 0.302 62.633 62.300 0.052 0.000 0.993 76 V CB -0.433 31.453 31.823 0.106 0.000 1.111 76 V HN 0.673 nan 8.190 nan 0.000 0.490 77 A N 3.644 126.455 122.820 -0.016 0.000 2.218 77 A HA 0.642 4.950 4.320 -0.019 0.000 0.209 77 A C 1.150 178.713 177.584 -0.036 0.000 1.168 77 A CA 0.826 52.861 52.037 -0.003 0.000 0.804 77 A CB -0.056 18.951 19.000 0.011 0.000 0.834 77 A HN 1.178 nan 8.150 nan 0.000 0.482 78 G N -0.919 107.773 108.800 -0.180 0.000 2.320 78 G HA2 0.451 4.399 3.960 -0.019 0.000 0.296 78 G HA3 0.451 4.399 3.960 -0.019 0.000 0.296 78 G C -1.551 173.201 174.900 -0.247 0.000 1.306 78 G CA -0.710 44.292 45.100 -0.163 0.000 0.836 78 G HN 0.191 nan 8.290 nan 0.000 0.517 79 K N -1.030 119.294 120.400 -0.128 0.000 2.409 79 K HA 0.837 5.145 4.320 -0.019 0.000 0.252 79 K C -1.189 175.241 176.600 -0.283 0.000 1.036 79 K CA -0.989 55.102 56.287 -0.326 0.000 0.871 79 K CB 1.990 34.159 32.500 -0.551 0.000 1.374 79 K HN 0.915 nan 8.250 nan 0.000 0.459 80 S N 0.266 115.667 115.700 -0.499 0.000 2.668 80 S HA 0.520 4.978 4.470 -0.019 0.000 0.277 80 S C -1.081 173.264 174.600 -0.425 0.000 1.170 80 S CA -0.627 57.378 58.200 -0.324 0.000 0.994 80 S CB 0.362 63.453 63.200 -0.182 0.000 1.051 80 S HN 0.535 nan 8.310 nan 0.000 0.484 81 F N 3.367 123.312 119.950 -0.008 0.000 2.724 81 F HA 0.587 5.102 4.527 -0.019 0.000 0.306 81 F C 1.834 177.630 175.800 -0.007 0.000 1.100 81 F CA 0.457 58.450 58.000 -0.011 0.000 1.255 81 F CB 0.621 39.619 39.000 -0.003 0.000 1.072 81 F HN 0.922 nan 8.300 nan 0.000 0.589 82 A N -0.239 122.664 122.820 0.138 0.000 2.986 82 A HA -0.141 4.167 4.320 -0.019 0.000 0.207 82 A C 1.935 179.571 177.584 0.086 0.000 0.676 82 A CA 0.776 52.866 52.037 0.088 0.000 1.852 82 A CB -2.220 16.831 19.000 0.085 0.000 0.993 82 A HN 0.425 nan 8.150 nan 0.000 0.644 83 G N -1.259 107.605 108.800 0.106 0.000 2.662 83 G HA2 0.372 4.321 3.960 -0.019 0.000 0.212 83 G HA3 0.372 4.321 3.960 -0.019 0.000 0.212 83 G C 0.517 175.474 174.900 0.095 0.000 1.141 83 G CA 1.257 46.408 45.100 0.084 0.000 0.797 83 G HN 0.567 nan 8.290 nan 0.000 0.531 84 Q N 1.121 121.008 119.800 0.145 0.000 2.788 84 Q HA 0.333 4.662 4.340 -0.019 0.000 0.261 84 Q C -2.609 173.446 176.000 0.093 0.000 1.029 84 Q CA -1.804 54.083 55.803 0.141 0.000 0.848 84 Q CB 2.150 31.022 28.738 0.224 0.000 1.185 84 Q HN 0.124 nan 8.270 nan 0.000 0.482 85 P HA -0.119 nan 4.420 nan 0.000 0.267 85 P C -1.023 176.208 177.300 -0.115 0.000 1.200 85 P CA -0.144 62.898 63.100 -0.097 0.000 0.772 85 P CB 0.413 31.993 31.700 -0.201 0.000 0.855 86 Y N 2.085 122.226 120.300 -0.266 0.000 2.436 86 Y HA 0.120 4.658 4.550 -0.019 0.000 0.336 86 Y C 0.689 176.386 175.900 -0.340 0.000 1.049 86 Y CA 0.477 58.448 58.100 -0.214 0.000 1.294 86 Y CB 0.275 38.633 38.460 -0.169 0.000 1.179 86 Y HN 0.490 nan 8.280 nan 0.000 0.520 87 H N 3.696 122.461 119.070 -0.508 0.000 2.637 87 H HA 0.262 4.807 4.556 -0.019 0.000 0.245 87 H C 0.817 175.893 175.328 -0.420 0.000 1.190 87 H CA -0.150 55.669 56.048 -0.381 0.000 0.934 87 H CB 0.382 30.006 29.762 -0.230 0.000 1.950 87 H HN 0.881 nan 8.280 nan 0.000 0.614 88 G N 0.178 108.501 108.800 -0.796 0.000 2.679 88 G HA2 -0.041 3.907 3.960 -0.019 0.000 0.202 88 G HA3 -0.041 3.907 3.960 -0.019 0.000 0.202 88 G C 0.874 175.938 174.900 0.273 0.000 1.566 88 G CA -0.228 44.652 45.100 -0.367 0.000 1.074 88 G HN 0.335 nan 8.290 nan 0.000 0.564 89 E N -0.582 119.831 120.200 0.355 0.000 2.476 89 E HA 0.028 4.366 4.350 -0.019 0.000 0.199 89 E C 0.281 176.998 176.600 0.195 0.000 1.021 89 E CA 0.030 56.591 56.400 0.267 0.000 0.907 89 E CB -0.109 29.614 29.700 0.038 0.000 0.974 89 E HN 0.736 nan 8.360 nan 0.000 0.489 90 W N 2.288 123.740 121.300 0.252 0.000 6.357 90 W HA -0.171 4.477 4.660 -0.019 0.000 0.428 90 W C -2.265 174.303 176.519 0.083 0.000 1.724 90 W CA -0.857 56.604 57.345 0.193 0.000 1.048 90 W CB -2.567 27.017 29.460 0.207 0.000 2.943 90 W HN -0.035 nan 8.180 nan 0.000 1.407 91 P HA 0.205 nan 4.420 nan 0.000 0.287 91 P C 1.315 178.593 177.300 -0.037 0.000 1.282 91 P CA 1.096 64.177 63.100 -0.033 0.000 0.804 91 P CB 0.098 31.804 31.700 0.010 0.000 1.323 92 A N -0.305 122.494 122.820 -0.035 0.000 2.618 92 A HA 0.277 4.586 4.320 -0.019 0.000 0.199 92 A C 1.565 179.150 177.584 0.001 0.000 1.666 92 A CA 1.021 53.044 52.037 -0.024 0.000 0.621 92 A CB -1.530 17.453 19.000 -0.028 0.000 1.172 92 A HN 0.550 nan 8.150 nan 0.000 0.489 93 G N 0.635 109.436 108.800 0.002 0.000 3.213 93 G HA2 0.444 4.392 3.960 -0.019 0.000 0.263 93 G HA3 0.444 4.392 3.960 -0.019 0.000 0.263 93 G C 0.170 175.082 174.900 0.020 0.000 0.829 93 G CA 0.610 45.716 45.100 0.009 0.000 1.983 93 G HN 0.862 nan 8.290 nan 0.000 0.616 94 T N -2.392 112.177 114.554 0.026 0.000 2.831 94 T HA 0.697 5.035 4.350 -0.019 0.000 0.287 94 T C 0.178 174.903 174.700 0.041 0.000 1.070 94 T CA -0.565 61.554 62.100 0.033 0.000 1.010 94 T CB 1.745 70.629 68.868 0.026 0.000 1.264 94 T HN 0.707 nan 8.240 nan 0.000 0.532 95 C N -0.199 119.133 119.300 0.053 0.000 3.161 95 C HA 0.909 5.358 4.460 -0.019 0.000 0.330 95 C C -1.184 173.827 174.990 0.035 0.000 1.396 95 C CA -1.154 57.910 59.018 0.076 0.000 1.536 95 C CB 0.459 28.314 27.740 0.191 0.000 1.978 95 C HN 0.921 nan 8.230 nan 0.000 0.454 96 I N 1.779 122.364 120.570 0.026 0.000 2.478 96 I HA 0.412 4.571 4.170 -0.019 0.000 0.287 96 I C -0.023 176.051 176.117 -0.072 0.000 1.042 96 I CA -0.194 61.031 61.300 -0.124 0.000 1.067 96 I CB 1.532 39.336 38.000 -0.325 0.000 1.233 96 I HN 0.949 nan 8.210 nan 0.000 0.431 97 R N 6.351 126.779 120.500 -0.121 0.000 2.623 97 R HA 0.463 4.791 4.340 -0.019 0.000 0.271 97 R C -1.338 174.724 176.300 -0.396 0.000 1.043 97 R CA 0.623 56.505 56.100 -0.362 0.000 1.083 97 R CB 0.617 30.731 30.300 -0.309 0.000 0.974 97 R HN 0.737 nan 8.270 nan 0.000 0.436 98 I N 3.862 124.186 120.570 -0.410 0.000 2.752 98 I HA 0.331 4.489 4.170 -0.019 0.000 0.295 98 I C -1.443 174.545 176.117 -0.216 0.000 1.219 98 I CA -1.246 59.872 61.300 -0.303 0.000 1.030 98 I CB 1.980 39.863 38.000 -0.195 0.000 1.259 98 I HN 0.713 nan 8.210 nan 0.000 0.423 99 M N 4.057 123.577 119.600 -0.133 0.000 2.598 99 M HA 0.452 4.920 4.480 -0.019 0.000 0.317 99 M C -0.142 176.160 176.300 0.003 0.000 1.201 99 M CA -0.185 55.113 55.300 -0.003 0.000 0.971 99 M CB 1.747 34.453 32.600 0.176 0.000 1.657 99 M HN 0.512 nan 8.290 nan 0.000 0.470 100 T N 1.966 116.532 114.554 0.019 0.000 2.908 100 T HA 0.383 4.722 4.350 -0.019 0.000 0.301 100 T C 1.044 175.761 174.700 0.029 0.000 1.019 100 T CA 1.258 63.368 62.100 0.018 0.000 1.152 100 T CB -0.118 68.763 68.868 0.021 0.000 0.966 100 T HN 0.970 nan 8.240 nan 0.000 0.540 101 G N 1.971 110.784 108.800 0.022 0.000 2.234 101 G HA2 -0.160 3.788 3.960 -0.019 0.000 0.260 101 G HA3 -0.160 3.788 3.960 -0.019 0.000 0.260 101 G C 0.331 175.250 174.900 0.032 0.000 0.987 101 G CA -0.006 45.111 45.100 0.029 0.000 0.625 101 G HN 1.232 nan 8.290 nan 0.000 0.532 102 A N 1.343 124.176 122.820 0.022 0.000 2.450 102 A HA 0.641 4.949 4.320 -0.019 0.000 0.255 102 A C -1.592 175.983 177.584 -0.014 0.000 1.096 102 A CA -0.725 51.316 52.037 0.007 0.000 0.778 102 A CB 0.275 19.260 19.000 -0.026 0.000 1.031 102 A HN 0.188 nan 8.150 nan 0.000 0.494 103 P HA 0.152 nan 4.420 nan 0.000 0.265 103 P C 0.168 177.423 177.300 -0.075 0.000 1.193 103 P CA 0.001 63.086 63.100 -0.026 0.000 0.765 103 P CB 0.385 32.060 31.700 -0.042 0.000 0.823 104 V N 2.659 122.538 119.914 -0.060 0.000 2.740 104 V HA 0.279 4.387 4.120 -0.019 0.000 0.303 104 V C -1.840 174.174 176.094 -0.133 0.000 1.054 104 V CA -1.456 60.795 62.300 -0.082 0.000 1.106 104 V CB -0.529 31.263 31.823 -0.051 0.000 0.957 104 V HN 0.469 nan 8.190 nan 0.000 0.486 105 P HA 0.202 nan 4.420 nan 0.000 0.272 105 P C -0.249 176.891 177.300 -0.267 0.000 1.230 105 P CA -0.346 62.624 63.100 -0.215 0.000 0.788 105 P CB 0.647 32.259 31.700 -0.146 0.000 0.949 106 E N -0.320 119.616 120.200 -0.439 0.000 2.414 106 E HA 0.241 4.579 4.350 -0.019 0.000 0.263 106 E C 1.233 177.658 176.600 -0.292 0.000 1.000 106 E CA 1.171 57.334 56.400 -0.395 0.000 0.914 106 E CB -0.383 28.998 29.700 -0.532 0.000 0.948 106 E HN 0.763 nan 8.360 nan 0.000 0.444 107 G N 2.913 111.665 108.800 -0.080 0.000 2.268 107 G HA2 -0.346 3.602 3.960 -0.019 0.000 0.240 107 G HA3 -0.346 3.602 3.960 -0.019 0.000 0.240 107 G C 0.482 175.395 174.900 0.022 0.000 1.010 107 G CA -0.039 45.088 45.100 0.044 0.000 0.618 107 G HN 0.822 nan 8.290 nan 0.000 0.516 108 C N 1.389 120.675 119.300 -0.024 0.000 2.611 108 C HA 0.579 5.027 4.460 -0.019 0.000 0.416 108 C C 1.531 176.510 174.990 -0.018 0.000 1.366 108 C CA 1.261 60.265 59.018 -0.023 0.000 1.761 108 C CB 0.213 27.926 27.740 -0.046 0.000 2.619 108 C HN 0.575 nan 8.230 nan 0.000 0.606 109 E N 2.388 122.575 120.200 -0.021 0.000 2.601 109 E HA 0.400 4.738 4.350 -0.019 0.000 0.219 109 E C 0.010 176.591 176.600 -0.031 0.000 0.964 109 E CA 0.248 56.636 56.400 -0.020 0.000 1.050 109 E CB 0.934 30.624 29.700 -0.017 0.000 1.068 109 E HN 0.859 nan 8.360 nan 0.000 0.496 110 A N 0.493 123.288 122.820 -0.042 0.000 2.577 110 A HA 0.532 4.840 4.320 -0.019 0.000 0.297 110 A C -1.405 176.157 177.584 -0.036 0.000 1.060 110 A CA -0.557 51.454 52.037 -0.043 0.000 0.697 110 A CB 1.464 20.424 19.000 -0.066 0.000 1.281 110 A HN -0.026 nan 8.150 nan 0.000 0.402 111 V N 1.881 121.789 119.914 -0.011 0.000 2.417 111 V HA 0.532 4.640 4.120 -0.019 0.000 0.291 111 V C -0.293 175.835 176.094 0.056 0.000 1.024 111 V CA -0.562 61.750 62.300 0.020 0.000 0.861 111 V CB 1.591 33.421 31.823 0.012 0.000 0.985 111 V HN 0.722 nan 8.190 nan 0.000 0.436 112 V N 6.155 126.150 119.914 0.134 0.000 2.370 112 V HA 0.391 4.500 4.120 -0.019 0.000 0.283 112 V C 0.632 176.859 176.094 0.222 0.000 1.023 112 V CA -0.722 61.704 62.300 0.209 0.000 0.857 112 V CB 1.435 33.493 31.823 0.391 0.000 0.985 112 V HN 0.914 nan 8.190 nan 0.000 0.443 113 M N 3.623 123.310 119.600 0.144 0.000 1.876 113 M HA 0.257 4.725 4.480 -0.019 0.000 0.216 113 M C 0.238 176.618 176.300 0.132 0.000 1.334 113 M CA 0.256 55.621 55.300 0.108 0.000 0.951 113 M CB -0.183 32.460 32.600 0.071 0.000 1.271 113 M HN 0.447 nan 8.290 nan 0.000 0.414 114 Q N 1.150 121.004 119.800 0.089 0.000 2.938 114 Q HA 0.107 4.435 4.340 -0.019 0.000 0.343 114 Q C 0.817 176.850 176.000 0.056 0.000 1.185 114 Q CA 0.217 56.068 55.803 0.080 0.000 0.939 114 Q CB -0.736 28.038 28.738 0.060 0.000 1.480 114 Q HN 0.895 nan 8.270 nan 0.000 0.442 115 E N -0.280 119.957 120.200 0.062 0.000 2.121 115 E HA -0.097 4.241 4.350 -0.019 0.000 0.194 115 E C 0.724 177.344 176.600 0.034 0.000 0.940 115 E CA 0.160 56.587 56.400 0.045 0.000 0.884 115 E CB -0.036 29.694 29.700 0.050 0.000 0.874 115 E HN 0.295 nan 8.360 nan 0.000 0.471 116 Q N 1.047 120.879 119.800 0.053 0.000 2.241 116 Q HA 0.320 4.648 4.340 -0.019 0.000 0.296 116 Q C -0.718 175.247 176.000 -0.059 0.000 0.889 116 Q CA -0.284 55.541 55.803 0.037 0.000 1.089 116 Q CB 0.890 29.691 28.738 0.103 0.000 1.195 116 Q HN -0.085 nan 8.270 nan 0.000 0.451 117 T N 1.305 115.793 114.554 -0.110 0.000 2.786 117 T HA 0.285 4.624 4.350 -0.019 0.000 0.283 117 T C -1.254 173.316 174.700 -0.216 0.000 0.992 117 T CA -0.338 61.582 62.100 -0.300 0.000 0.954 117 T CB 1.337 70.097 68.868 -0.180 0.000 0.934 117 T HN 0.141 nan 8.240 nan 0.000 0.440 118 E N 3.142 123.174 120.200 -0.279 0.000 2.141 118 E HA 0.240 4.578 4.350 -0.019 0.000 0.259 118 E C -0.383 176.084 176.600 -0.221 0.000 0.883 118 E CA -0.613 55.676 56.400 -0.184 0.000 0.744 118 E CB 0.782 30.402 29.700 -0.133 0.000 1.150 118 E HN 0.444 nan 8.360 nan 0.000 0.420 119 Q N 3.844 123.544 119.800 -0.167 0.000 2.332 119 Q HA 0.231 4.560 4.340 -0.019 0.000 0.263 119 Q C -0.124 175.815 176.000 -0.102 0.000 0.979 119 Q CA 0.306 56.019 55.803 -0.150 0.000 0.885 119 Q CB 0.807 29.502 28.738 -0.071 0.000 1.218 119 Q HN 0.550 nan 8.270 nan 0.000 0.405 120 M N 1.253 120.793 119.600 -0.100 0.000 2.812 120 M HA 0.169 4.637 4.480 -0.019 0.000 0.285 120 M C 0.943 177.215 176.300 -0.046 0.000 1.216 120 M CA -0.559 54.701 55.300 -0.067 0.000 0.749 120 M CB 0.119 32.676 32.600 -0.072 0.000 1.756 120 M HN 0.546 nan 8.290 nan 0.000 0.439 121 D N 0.331 120.712 120.400 -0.033 0.000 2.149 121 D HA -0.144 4.485 4.640 -0.019 0.000 0.201 121 D C 0.824 177.112 176.300 -0.020 0.000 0.972 121 D CA 1.653 55.641 54.000 -0.020 0.000 0.835 121 D CB -0.529 40.262 40.800 -0.014 0.000 0.966 121 D HN 0.863 nan 8.370 nan 0.000 0.476 122 N N -0.493 118.191 118.700 -0.027 0.000 2.280 122 N HA 0.296 5.025 4.740 -0.019 0.000 0.192 122 N C 0.807 176.300 175.510 -0.029 0.000 1.109 122 N CA 0.036 53.074 53.050 -0.022 0.000 0.855 122 N CB 0.851 39.327 38.487 -0.018 0.000 0.974 122 N HN 0.323 nan 8.380 nan 0.000 0.482 123 G N -0.204 108.567 108.800 -0.049 0.000 2.361 123 G HA2 0.048 3.996 3.960 -0.019 0.000 0.331 123 G HA3 0.048 3.996 3.960 -0.019 0.000 0.331 123 G C -1.479 173.334 174.900 -0.145 0.000 1.324 123 G CA -0.821 44.237 45.100 -0.071 0.000 0.984 123 G HN 0.013 nan 8.290 nan 0.000 0.586 124 V N 0.547 120.322 119.914 -0.231 0.000 2.686 124 V HA 0.684 4.793 4.120 -0.019 0.000 0.295 124 V C 0.872 176.711 176.094 -0.426 0.000 1.057 124 V CA -0.348 61.678 62.300 -0.457 0.000 1.012 124 V CB 1.549 32.858 31.823 -0.855 0.000 1.006 124 V HN 0.772 nan 8.190 nan 0.000 0.477 125 R N 1.756 121.959 120.500 -0.495 0.000 2.664 125 R HA 0.655 4.983 4.340 -0.019 0.000 0.286 125 R C -1.675 174.290 176.300 -0.559 0.000 0.967 125 R CA -0.498 55.402 56.100 -0.334 0.000 0.933 125 R CB 1.736 31.939 30.300 -0.162 0.000 1.146 125 R HN 0.576 nan 8.270 nan 0.000 0.468 126 F N -0.138 119.774 119.950 -0.064 0.000 2.520 126 F HA 0.283 4.799 4.527 -0.020 0.000 0.322 126 F C 1.220 177.003 175.800 -0.027 0.000 1.103 126 F CA -0.591 57.382 58.000 -0.045 0.000 0.926 126 F CB 2.351 41.327 39.000 -0.041 0.000 1.154 126 F HN 0.506 nan 8.300 nan 0.000 0.453 127 T N 0.927 115.563 114.554 0.136 0.000 2.706 127 T HA 0.107 4.445 4.350 -0.019 0.000 0.255 127 T C 1.058 175.804 174.700 0.077 0.000 1.048 127 T CA 1.081 63.227 62.100 0.077 0.000 1.153 127 T CB -0.072 68.825 68.868 0.047 0.000 0.865 127 T HN 0.585 nan 8.240 nan 0.000 0.414 128 A N 0.779 123.647 122.820 0.081 0.000 2.257 128 A HA 0.630 4.938 4.320 -0.019 0.000 0.290 128 A C 0.313 177.924 177.584 0.044 0.000 1.201 128 A CA -0.545 51.523 52.037 0.053 0.000 0.863 128 A CB 0.575 19.600 19.000 0.041 0.000 1.256 128 A HN 0.413 nan 8.150 nan 0.000 0.506 129 E N -2.237 117.971 120.200 0.013 0.000 2.518 129 E HA 0.701 5.040 4.350 -0.019 0.000 0.241 129 E C -1.636 174.949 176.600 -0.025 0.000 0.899 129 E CA -0.647 55.743 56.400 -0.017 0.000 0.888 129 E CB 1.927 31.618 29.700 -0.014 0.000 1.426 129 E HN 0.550 nan 8.360 nan 0.000 0.401 130 V N 0.121 120.012 119.914 -0.038 0.000 3.177 130 V HA 0.362 4.470 4.120 -0.019 0.000 0.287 130 V C -1.682 174.394 176.094 -0.030 0.000 1.465 130 V CA -0.446 61.836 62.300 -0.030 0.000 1.020 130 V CB 2.105 33.907 31.823 -0.033 0.000 1.152 130 V HN 0.617 nan 8.190 nan 0.000 0.448 131 R N 2.462 122.950 120.500 -0.020 0.000 2.881 131 R HA 0.673 5.002 4.340 -0.019 0.000 0.331 131 R C -0.493 175.799 176.300 -0.013 0.000 1.207 131 R CA 0.661 56.751 56.100 -0.017 0.000 1.265 131 R CB 0.811 31.104 30.300 -0.012 0.000 1.351 131 R HN 1.005 nan 8.270 nan 0.000 0.613 132 S N -2.893 112.797 115.700 -0.016 0.000 2.656 132 S HA 0.287 4.745 4.470 -0.019 0.000 0.265 132 S C -0.185 174.406 174.600 -0.014 0.000 1.132 132 S CA -0.772 57.421 58.200 -0.012 0.000 0.819 132 S CB 0.686 63.881 63.200 -0.008 0.000 1.119 132 S HN 0.124 nan 8.310 nan 0.000 0.476 133 G N 1.530 110.324 108.800 -0.010 0.000 3.343 133 G HA2 0.438 4.386 3.960 -0.019 0.000 0.264 133 G HA3 0.438 4.386 3.960 -0.019 0.000 0.264 133 G C 0.211 175.107 174.900 -0.006 0.000 0.884 133 G CA -0.544 44.551 45.100 -0.009 0.000 1.916 133 G HN 0.806 nan 8.290 nan 0.000 0.618 134 Q N 0.579 120.375 119.800 -0.007 0.000 2.313 134 Q HA 0.154 4.483 4.340 -0.019 0.000 0.266 134 Q C 0.129 176.131 176.000 0.003 0.000 0.989 134 Q CA -0.674 55.129 55.803 -0.000 0.000 0.890 134 Q CB 0.661 29.400 28.738 0.002 0.000 1.200 134 Q HN 0.331 nan 8.270 nan 0.000 0.396 135 N N 1.567 120.271 118.700 0.007 0.000 2.735 135 N HA -0.179 4.549 4.740 -0.019 0.000 0.248 135 N C -1.188 174.324 175.510 0.003 0.000 1.083 135 N CA 0.998 54.053 53.050 0.009 0.000 0.703 135 N CB -1.348 37.149 38.487 0.017 0.000 1.005 135 N HN 0.677 nan 8.380 nan 0.000 0.550 136 I N 0.860 121.431 120.570 0.001 0.000 2.411 136 I HA 0.129 4.287 4.170 -0.019 0.000 0.284 136 I C 0.639 176.757 176.117 0.001 0.000 1.012 136 I CA -0.472 60.828 61.300 -0.001 0.000 1.119 136 I CB 1.830 39.828 38.000 -0.003 0.000 1.261 136 I HN -0.041 nan 8.210 nan 0.000 0.448 137 Q N 5.434 125.235 119.800 0.002 0.000 2.293 137 Q HA 0.241 4.569 4.340 -0.019 0.000 0.263 137 Q C -0.373 175.629 176.000 0.004 0.000 1.002 137 Q CA -0.418 55.386 55.803 0.001 0.000 0.910 137 Q CB 0.822 29.562 28.738 0.002 0.000 1.185 137 Q HN 0.426 nan 8.270 nan 0.000 0.401 138 R N 1.688 122.187 120.500 -0.002 0.000 2.531 138 R HA 0.147 4.475 4.340 -0.019 0.000 0.273 138 R C -0.536 175.756 176.300 -0.013 0.000 1.070 138 R CA -0.388 55.711 56.100 -0.002 0.000 1.112 138 R CB 0.546 30.842 30.300 -0.007 0.000 1.049 138 R HN 0.619 nan 8.270 nan 0.000 0.508 139 R N 1.243 121.732 120.500 -0.019 0.000 2.504 139 R HA 0.122 4.450 4.340 -0.019 0.000 0.291 139 R C 0.344 176.602 176.300 -0.070 0.000 0.974 139 R CA 0.957 57.018 56.100 -0.066 0.000 1.077 139 R CB -0.127 30.087 30.300 -0.143 0.000 0.926 139 R HN 0.747 nan 8.270 nan 0.000 0.407 140 G N 2.313 111.069 108.800 -0.072 0.000 2.148 140 G HA2 -0.375 3.574 3.960 -0.019 0.000 0.254 140 G HA3 -0.375 3.574 3.960 -0.019 0.000 0.254 140 G C 0.577 175.448 174.900 -0.048 0.000 0.981 140 G CA 0.548 45.609 45.100 -0.065 0.000 0.670 140 G HN 0.843 nan 8.290 nan 0.000 0.528 141 E N -0.402 119.776 120.200 -0.037 0.000 2.072 141 E HA -0.102 4.237 4.350 -0.019 0.000 0.191 141 E C 1.968 178.549 176.600 -0.032 0.000 0.985 141 E CA 1.400 57.783 56.400 -0.029 0.000 0.801 141 E CB -0.050 29.639 29.700 -0.019 0.000 0.750 141 E HN 0.455 nan 8.360 nan 0.000 0.452 142 D N -0.207 120.173 120.400 -0.033 0.000 2.113 142 D HA 0.011 4.639 4.640 -0.019 0.000 0.206 142 D C 0.190 176.457 176.300 -0.055 0.000 0.979 142 D CA 0.893 54.871 54.000 -0.037 0.000 0.862 142 D CB 0.323 41.106 40.800 -0.029 0.000 1.013 142 D HN 0.091 nan 8.370 nan 0.000 0.455 143 I N 0.771 121.305 120.570 -0.060 0.000 2.447 143 I HA 0.177 4.335 4.170 -0.019 0.000 0.287 143 I C -0.543 175.533 176.117 -0.069 0.000 1.023 143 I CA -0.575 60.680 61.300 -0.076 0.000 1.083 143 I CB 2.215 40.162 38.000 -0.087 0.000 1.245 143 I HN -0.160 nan 8.210 nan 0.000 0.434 144 S N 4.642 120.301 115.700 -0.068 0.000 2.545 144 S HA 0.549 5.008 4.470 -0.019 0.000 0.275 144 S C 0.422 174.984 174.600 -0.064 0.000 1.299 144 S CA -0.799 57.362 58.200 -0.064 0.000 1.048 144 S CB 1.462 64.628 63.200 -0.056 0.000 0.938 144 S HN 0.715 nan 8.310 nan 0.000 0.496 145 A N 2.124 124.906 122.820 -0.063 0.000 2.561 145 A HA 0.473 4.781 4.320 -0.019 0.000 0.234 145 A C 1.586 179.142 177.584 -0.047 0.000 1.055 145 A CA 0.312 52.316 52.037 -0.055 0.000 0.756 145 A CB -1.042 17.925 19.000 -0.055 0.000 0.986 145 A HN 1.979 nan 8.150 nan 0.000 0.505 146 G N 0.485 109.261 108.800 -0.041 0.000 2.205 146 G HA2 0.120 4.068 3.960 -0.019 0.000 0.261 146 G HA3 0.120 4.068 3.960 -0.019 0.000 0.261 146 G C 0.627 175.503 174.900 -0.039 0.000 0.980 146 G CA 0.635 45.714 45.100 -0.035 0.000 0.632 146 G HN 2.258 nan 8.290 nan 0.000 0.533 147 A N 0.041 122.830 122.820 -0.051 0.000 2.371 147 A HA 0.670 4.979 4.320 -0.019 0.000 0.257 147 A C 0.643 178.184 177.584 -0.071 0.000 1.089 147 A CA 0.218 52.219 52.037 -0.061 0.000 0.794 147 A CB 1.077 20.033 19.000 -0.073 0.000 1.029 147 A HN 1.108 nan 8.150 nan 0.000 0.488 148 V N 4.102 123.975 119.914 -0.069 0.000 2.415 148 V HA 0.040 4.149 4.120 -0.019 0.000 0.267 148 V C 1.228 177.236 176.094 -0.143 0.000 1.042 148 V CA 0.200 62.455 62.300 -0.074 0.000 1.000 148 V CB 0.609 32.405 31.823 -0.045 0.000 1.015 148 V HN 0.737 nan 8.190 nan 0.000 0.478 149 V N 5.531 125.319 119.914 -0.210 0.000 2.379 149 V HA 0.126 4.235 4.120 -0.019 0.000 0.243 149 V C 0.374 176.030 176.094 -0.729 0.000 1.035 149 V CA 1.253 63.260 62.300 -0.488 0.000 1.035 149 V CB -0.274 31.228 31.823 -0.534 0.000 0.673 149 V HN 0.662 nan 8.190 nan 0.000 0.457 150 F N 1.173 121.113 119.950 -0.017 0.000 2.557 150 F HA 0.564 5.079 4.527 -0.020 0.000 0.316 150 F C -2.660 173.128 175.800 -0.019 0.000 1.141 150 F CA -2.437 55.551 58.000 -0.020 0.000 0.922 150 F CB 2.063 41.048 39.000 -0.024 0.000 1.194 150 F HN -0.097 nan 8.300 nan 0.000 0.443 151 P HA 0.276 nan 4.420 nan 0.000 0.279 151 P C -0.776 176.565 177.300 0.069 0.000 1.252 151 P CA -0.384 62.763 63.100 0.079 0.000 0.811 151 P CB 1.196 32.927 31.700 0.051 0.000 1.035 152 A N 0.976 123.820 122.820 0.041 0.000 2.546 152 A HA 0.395 4.703 4.320 -0.019 0.000 0.243 152 A C 1.436 179.028 177.584 0.013 0.000 1.063 152 A CA 1.045 53.096 52.037 0.023 0.000 0.757 152 A CB -1.601 17.409 19.000 0.017 0.000 0.991 152 A HN 0.901 nan 8.150 nan 0.000 0.503 153 G N 1.681 110.481 108.800 0.000 0.000 2.218 153 G HA2 -0.184 3.765 3.960 -0.019 0.000 0.216 153 G HA3 -0.184 3.765 3.960 -0.019 0.000 0.216 153 G C 0.446 175.331 174.900 -0.024 0.000 0.994 153 G CA 0.219 45.313 45.100 -0.011 0.000 0.637 153 G HN 1.194 nan 8.290 nan 0.000 0.505 154 T N 2.011 116.552 114.554 -0.022 0.000 2.817 154 T HA 0.390 4.728 4.350 -0.019 0.000 0.295 154 T C 0.627 175.263 174.700 -0.107 0.000 0.958 154 T CA 0.131 62.199 62.100 -0.054 0.000 1.157 154 T CB 1.095 69.934 68.868 -0.049 0.000 0.898 154 T HN 0.514 nan 8.240 nan 0.000 0.536 155 R N 3.502 123.927 120.500 -0.124 0.000 2.389 155 R HA 0.330 4.659 4.340 -0.019 0.000 0.295 155 R C -0.605 175.542 176.300 -0.256 0.000 1.075 155 R CA -0.485 55.516 56.100 -0.165 0.000 1.005 155 R CB 0.218 30.432 30.300 -0.142 0.000 0.987 155 R HN 0.560 nan 8.270 nan 0.000 0.452 156 L N 3.413 124.452 121.223 -0.306 0.000 2.312 156 L HA 0.436 4.765 4.340 -0.019 0.000 0.281 156 L C 0.416 176.936 176.870 -0.584 0.000 1.070 156 L CA -0.232 54.373 54.840 -0.390 0.000 0.805 156 L CB 1.858 43.735 42.059 -0.304 0.000 1.174 156 L HN 0.720 nan 8.230 nan 0.000 0.434 157 T N -0.656 113.574 114.554 -0.540 0.000 2.696 157 T HA 0.176 4.514 4.350 -0.019 0.000 0.291 157 T C 0.952 175.507 174.700 -0.243 0.000 1.095 157 T CA -0.378 61.333 62.100 -0.649 0.000 1.026 157 T CB 1.777 70.409 68.868 -0.393 0.000 1.390 157 T HN 0.641 nan 8.240 nan 0.000 0.513 158 T N 1.458 116.042 114.554 0.051 0.000 2.849 158 T HA -0.066 4.272 4.350 -0.019 0.000 0.270 158 T C 2.048 176.762 174.700 0.025 0.000 1.066 158 T CA 1.345 63.508 62.100 0.105 0.000 1.130 158 T CB -0.425 68.543 68.868 0.167 0.000 0.864 158 T HN 0.619 nan 8.240 nan 0.000 0.481 159 A N 1.507 124.319 122.820 -0.012 0.000 1.933 159 A HA -0.111 4.197 4.320 -0.019 0.000 0.218 159 A C 2.200 179.761 177.584 -0.038 0.000 1.175 159 A CA 1.565 53.595 52.037 -0.011 0.000 0.628 159 A CB -0.310 18.679 19.000 -0.018 0.000 0.814 159 A HN 0.471 nan 8.150 nan 0.000 0.444 160 E N -0.618 119.463 120.200 -0.197 0.000 2.251 160 E HA 0.202 4.540 4.350 -0.019 0.000 0.194 160 E C 1.834 178.302 176.600 -0.219 0.000 0.964 160 E CA 0.186 56.327 56.400 -0.432 0.000 0.868 160 E CB -0.148 28.945 29.700 -1.012 0.000 0.828 160 E HN 0.523 nan 8.360 nan 0.000 0.481 161 L N 0.913 122.048 121.223 -0.145 0.000 2.109 161 L HA -0.043 4.286 4.340 -0.019 0.000 0.207 161 L C -0.772 176.111 176.870 0.021 0.000 1.086 161 L CA 0.983 55.787 54.840 -0.059 0.000 0.760 161 L CB -0.937 41.096 42.059 -0.044 0.000 0.910 161 L HN 0.127 nan 8.230 nan 0.000 0.437 162 P HA -0.113 nan 4.420 nan 0.000 0.220 162 P C 1.845 179.193 177.300 0.080 0.000 1.148 162 P CA 0.968 64.101 63.100 0.056 0.000 0.803 162 P CB 0.109 31.841 31.700 0.053 0.000 0.782 163 V N -0.331 119.658 119.914 0.125 0.000 2.307 163 V HA -0.214 3.894 4.120 -0.019 0.000 0.245 163 V C 2.306 178.491 176.094 0.153 0.000 1.045 163 V CA 1.556 63.955 62.300 0.164 0.000 1.024 163 V CB -1.036 30.961 31.823 0.290 0.000 0.651 163 V HN 0.053 nan 8.190 nan 0.000 0.449 164 I N 0.682 121.366 120.570 0.189 0.000 2.335 164 I HA -0.252 3.907 4.170 -0.019 0.000 0.251 164 I C 2.577 178.741 176.117 0.079 0.000 1.129 164 I CA 1.471 62.858 61.300 0.144 0.000 1.402 164 I CB -0.507 37.571 38.000 0.130 0.000 1.069 164 I HN 0.292 nan 8.210 nan 0.000 0.424 165 A N 0.391 123.250 122.820 0.065 0.000 2.015 165 A HA -0.181 4.127 4.320 -0.019 0.000 0.219 165 A C 2.443 180.053 177.584 0.042 0.000 1.163 165 A CA 1.819 53.884 52.037 0.047 0.000 0.646 165 A CB -0.615 18.410 19.000 0.042 0.000 0.806 165 A HN 0.524 nan 8.150 nan 0.000 0.448 166 S N -0.157 115.571 115.700 0.047 0.000 2.489 166 S HA 0.052 4.510 4.470 -0.019 0.000 0.228 166 S C 1.466 176.082 174.600 0.026 0.000 0.995 166 S CA 0.865 59.086 58.200 0.037 0.000 0.934 166 S CB -0.581 62.641 63.200 0.037 0.000 0.771 166 S HN 0.460 nan 8.310 nan 0.000 0.522 167 L N 0.904 122.145 121.223 0.029 0.000 2.599 167 L HA 0.367 4.696 4.340 -0.019 0.000 0.230 167 L C 1.837 178.717 176.870 0.017 0.000 1.141 167 L CA 0.319 55.168 54.840 0.016 0.000 0.877 167 L CB -0.946 41.122 42.059 0.015 0.000 1.009 167 L HN 0.543 nan 8.230 nan 0.000 0.447 168 G N 0.847 109.661 108.800 0.023 0.000 2.141 168 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.242 168 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.242 168 G C 0.196 175.109 174.900 0.022 0.000 0.982 168 G CA -0.258 44.855 45.100 0.021 0.000 0.662 168 G HN 0.311 nan 8.290 nan 0.000 0.527 169 I N 0.926 121.512 120.570 0.026 0.000 2.325 169 I HA 0.469 4.627 4.170 -0.019 0.000 0.291 169 I C 1.552 177.685 176.117 0.026 0.000 1.019 169 I CA 0.012 61.328 61.300 0.026 0.000 1.302 169 I CB 1.467 39.487 38.000 0.033 0.000 1.401 169 I HN 0.114 nan 8.210 nan 0.000 0.485 170 A N 6.001 128.834 122.820 0.022 0.000 2.021 170 A HA 0.037 4.345 4.320 -0.019 0.000 0.216 170 A C 0.672 178.267 177.584 0.020 0.000 1.163 170 A CA 0.756 52.806 52.037 0.020 0.000 0.676 170 A CB 0.013 19.023 19.000 0.017 0.000 0.818 170 A HN 0.837 nan 8.150 nan 0.000 0.453 171 E N -1.016 119.195 120.200 0.019 0.000 2.392 171 E HA 0.556 4.894 4.350 -0.019 0.000 0.279 171 E C -1.201 175.409 176.600 0.017 0.000 0.964 171 E CA -0.842 55.568 56.400 0.016 0.000 0.777 171 E CB 1.778 31.486 29.700 0.014 0.000 1.249 171 E HN 0.353 nan 8.360 nan 0.000 0.449 172 V N -2.658 117.264 119.914 0.013 0.000 3.007 172 V HA 0.664 4.773 4.120 -0.019 0.000 0.311 172 V C -2.923 173.176 176.094 0.009 0.000 1.120 172 V CA -2.661 59.648 62.300 0.014 0.000 0.980 172 V CB 1.510 33.341 31.823 0.015 0.000 1.033 172 V HN 0.617 nan 8.190 nan 0.000 0.429 173 P HA 0.498 nan 4.420 nan 0.000 0.280 173 P C -0.583 176.717 177.300 0.001 0.000 1.244 173 P CA -0.153 62.951 63.100 0.007 0.000 0.784 173 P CB 1.343 33.048 31.700 0.009 0.000 0.913 174 V N 1.284 121.197 119.914 -0.001 0.000 2.962 174 V HA 0.506 4.614 4.120 -0.019 0.000 0.313 174 V C -0.065 176.028 176.094 -0.002 0.000 1.099 174 V CA -1.245 61.051 62.300 -0.007 0.000 0.971 174 V CB 1.810 33.625 31.823 -0.013 0.000 1.028 174 V HN 0.217 nan 8.190 nan 0.000 0.430 175 I N 3.114 123.681 120.570 -0.004 0.000 2.752 175 I HA 0.202 4.360 4.170 -0.019 0.000 0.287 175 I C 1.246 177.365 176.117 0.004 0.000 1.188 175 I CA 0.370 61.671 61.300 0.002 0.000 1.427 175 I CB 0.253 38.253 38.000 0.000 0.000 1.365 175 I HN 1.007 nan 8.210 nan 0.000 0.585 176 R N 5.292 125.797 120.500 0.009 0.000 2.774 176 R HA 0.202 4.531 4.340 -0.019 0.000 0.269 176 R C -0.320 175.987 176.300 0.012 0.000 1.068 176 R CA -0.584 55.523 56.100 0.011 0.000 1.180 176 R CB 0.381 30.690 30.300 0.014 0.000 1.077 176 R HN 0.387 nan 8.270 nan 0.000 0.513 177 K N 1.070 121.478 120.400 0.012 0.000 2.401 177 K HA 0.076 4.384 4.320 -0.019 0.000 0.278 177 K C -0.415 176.195 176.600 0.017 0.000 1.018 177 K CA -0.397 55.898 56.287 0.013 0.000 0.981 177 K CB 1.059 33.566 32.500 0.013 0.000 0.933 177 K HN 0.298 nan 8.250 nan 0.000 0.477 178 V N 4.665 124.590 119.914 0.019 0.000 2.539 178 V HA -0.095 4.013 4.120 -0.019 0.000 0.300 178 V C 0.714 176.823 176.094 0.025 0.000 1.019 178 V CA 0.525 62.842 62.300 0.029 0.000 1.160 178 V CB -0.267 31.573 31.823 0.030 0.000 0.901 178 V HN 0.638 nan 8.190 nan 0.000 0.481 179 R N 3.889 124.407 120.500 0.030 0.000 2.254 179 R HA 0.574 4.903 4.340 -0.019 0.000 0.318 179 R C -1.044 175.271 176.300 0.025 0.000 1.031 179 R CA -0.477 55.636 56.100 0.021 0.000 0.905 179 R CB 1.403 31.717 30.300 0.023 0.000 1.050 179 R HN 0.531 nan 8.270 nan 0.000 0.456 180 V N 2.513 122.429 119.914 0.004 0.000 2.483 180 V HA 0.447 4.556 4.120 -0.019 0.000 0.297 180 V C -0.088 175.991 176.094 -0.026 0.000 1.027 180 V CA -0.938 61.363 62.300 0.001 0.000 0.855 180 V CB 1.657 33.480 31.823 0.001 0.000 0.995 180 V HN 0.899 nan 8.190 nan 0.000 0.424 181 A N 5.660 128.477 122.820 -0.005 0.000 2.310 181 A HA 0.891 5.200 4.320 -0.019 0.000 0.299 181 A C -0.782 176.765 177.584 -0.061 0.000 1.147 181 A CA -0.469 51.569 52.037 0.000 0.000 0.818 181 A CB 0.986 20.023 19.000 0.062 0.000 1.096 181 A HN 0.832 nan 8.150 nan 0.000 0.495 182 L N 2.856 124.045 121.223 -0.056 0.000 2.436 182 L HA 0.822 5.151 4.340 -0.019 0.000 0.268 182 L C -1.681 175.172 176.870 -0.028 0.000 0.974 182 L CA -0.680 54.072 54.840 -0.147 0.000 0.826 182 L CB 1.769 43.761 42.059 -0.111 0.000 1.291 182 L HN 0.918 nan 8.230 nan 0.000 0.406 183 F N 1.065 120.990 119.950 -0.043 0.000 2.713 183 F HA 0.765 5.280 4.527 -0.019 0.000 0.311 183 F C -0.813 174.981 175.800 -0.010 0.000 1.141 183 F CA -0.821 57.157 58.000 -0.036 0.000 0.939 183 F CB 1.341 40.296 39.000 -0.076 0.000 1.325 183 F HN 0.359 nan 8.300 nan 0.000 0.453 184 S N -0.207 115.672 115.700 0.298 0.000 2.677 184 S HA 0.899 5.357 4.470 -0.019 0.000 0.304 184 S C -0.953 173.802 174.600 0.258 0.000 1.108 184 S CA -0.457 57.877 58.200 0.223 0.000 0.944 184 S CB 1.968 65.240 63.200 0.121 0.000 1.127 184 S HN 1.200 nan 8.310 nan 0.000 0.511 185 T N -1.000 113.674 114.554 0.200 0.000 2.868 185 T HA 0.745 5.083 4.350 -0.019 0.000 0.306 185 T C -0.656 174.117 174.700 0.122 0.000 1.224 185 T CA 0.345 62.536 62.100 0.153 0.000 1.012 185 T CB 1.074 70.038 68.868 0.161 0.000 1.221 185 T HN 2.249 nan 8.240 nan 0.000 0.499 186 G N 2.564 111.429 108.800 0.108 0.000 2.462 186 G HA2 0.158 4.106 3.960 -0.019 0.000 0.424 186 G HA3 0.158 4.106 3.960 -0.019 0.000 0.424 186 G C -0.089 174.854 174.900 0.071 0.000 1.573 186 G CA -0.295 44.861 45.100 0.094 0.000 0.913 186 G HN 0.619 nan 8.290 nan 0.000 0.672 187 D N 0.832 121.271 120.400 0.066 0.000 2.263 187 D HA -0.055 4.573 4.640 -0.019 0.000 0.208 187 D C 2.120 178.436 176.300 0.025 0.000 0.971 187 D CA 1.625 55.650 54.000 0.043 0.000 0.867 187 D CB 0.260 41.083 40.800 0.038 0.000 0.929 187 D HN 0.711 nan 8.370 nan 0.000 0.492 188 E N 0.003 120.218 120.200 0.025 0.000 2.418 188 E HA 0.021 4.359 4.350 -0.019 0.000 0.197 188 E C 0.614 177.209 176.600 -0.009 0.000 1.026 188 E CA 0.212 56.615 56.400 0.004 0.000 0.862 188 E CB -0.168 29.537 29.700 0.009 0.000 0.799 188 E HN 0.263 nan 8.360 nan 0.000 0.518 189 L N 1.189 122.421 121.223 0.014 0.000 2.350 189 L HA 0.412 4.740 4.340 -0.019 0.000 0.275 189 L C -0.088 176.792 176.870 0.017 0.000 1.099 189 L CA -0.766 54.086 54.840 0.019 0.000 0.808 189 L CB 0.988 43.076 42.059 0.049 0.000 1.149 189 L HN 0.015 nan 8.230 nan 0.000 0.442 190 Q N 2.132 121.946 119.800 0.024 0.000 2.397 190 Q HA 0.493 4.821 4.340 -0.019 0.000 0.275 190 Q C -1.257 174.851 176.000 0.180 0.000 1.090 190 Q CA -0.539 55.305 55.803 0.068 0.000 0.809 190 Q CB 2.054 30.790 28.738 -0.003 0.000 1.362 190 Q HN 0.474 nan 8.270 nan 0.000 0.431 191 L N 4.856 126.167 121.223 0.147 0.000 2.455 191 L HA 0.332 4.660 4.340 -0.019 0.000 0.272 191 L C -1.898 175.072 176.870 0.167 0.000 1.174 191 L CA -1.783 53.131 54.840 0.125 0.000 0.869 191 L CB 0.132 42.230 42.059 0.065 0.000 1.130 191 L HN 0.546 nan 8.230 nan 0.000 0.474 192 P HA -0.011 nan 4.420 nan 0.000 0.266 192 P C 0.846 178.079 177.300 -0.111 0.000 1.193 192 P CA 0.756 63.720 63.100 -0.226 0.000 0.770 192 P CB 0.649 32.196 31.700 -0.256 0.000 0.836 193 G N 0.099 108.814 108.800 -0.141 0.000 2.176 193 G HA2 -0.180 3.769 3.960 -0.019 0.000 0.253 193 G HA3 -0.180 3.769 3.960 -0.019 0.000 0.253 193 G C -0.071 174.837 174.900 0.014 0.000 0.979 193 G CA -0.269 44.797 45.100 -0.058 0.000 0.641 193 G HN 0.548 nan 8.290 nan 0.000 0.530 194 Q N 0.493 120.342 119.800 0.082 0.000 2.342 194 Q HA 0.500 4.828 4.340 -0.019 0.000 0.267 194 Q C -2.591 173.513 176.000 0.174 0.000 1.038 194 Q CA -1.912 53.955 55.803 0.106 0.000 0.832 194 Q CB 2.283 31.078 28.738 0.096 0.000 1.323 194 Q HN 0.230 nan 8.270 nan 0.000 0.448 195 P HA 0.027 nan 4.420 nan 0.000 0.268 195 P C -0.340 176.995 177.300 0.058 0.000 1.204 195 P CA -0.478 62.681 63.100 0.099 0.000 0.768 195 P CB 0.436 32.167 31.700 0.053 0.000 0.842 196 L N 3.233 124.463 121.223 0.011 0.000 2.455 196 L HA 0.261 4.589 4.340 -0.019 0.000 0.272 196 L C 1.433 178.264 176.870 -0.065 0.000 1.174 196 L CA 0.569 55.334 54.840 -0.125 0.000 0.869 196 L CB -0.480 41.433 42.059 -0.243 0.000 1.130 196 L HN 0.521 nan 8.230 nan 0.000 0.474 197 G N 2.247 111.008 108.800 -0.064 0.000 2.588 197 G HA2 0.122 4.070 3.960 -0.019 0.000 0.278 197 G HA3 0.122 4.070 3.960 -0.019 0.000 0.278 197 G C 0.646 175.518 174.900 -0.046 0.000 1.307 197 G CA 0.150 45.226 45.100 -0.039 0.000 1.016 197 G HN 0.767 nan 8.290 nan 0.000 0.503 198 D N -0.796 119.587 120.400 -0.029 0.000 2.103 198 D HA -0.093 4.535 4.640 -0.019 0.000 0.190 198 D C 2.317 178.598 176.300 -0.032 0.000 0.997 198 D CA 2.280 56.265 54.000 -0.025 0.000 0.833 198 D CB -0.514 40.277 40.800 -0.014 0.000 0.961 198 D HN 0.415 nan 8.370 nan 0.000 0.447 199 G N -0.930 107.852 108.800 -0.031 0.000 3.088 199 G HA2 0.046 3.994 3.960 -0.019 0.000 0.217 199 G HA3 0.046 3.994 3.960 -0.019 0.000 0.217 199 G C 0.370 175.239 174.900 -0.052 0.000 1.159 199 G CA -0.308 44.774 45.100 -0.031 0.000 0.760 199 G HN 0.284 nan 8.290 nan 0.000 0.550 200 Q N 0.127 119.881 119.800 -0.078 0.000 2.474 200 Q HA 0.394 4.723 4.340 -0.019 0.000 0.256 200 Q C 0.107 176.001 176.000 -0.177 0.000 1.048 200 Q CA 0.437 56.171 55.803 -0.114 0.000 0.922 200 Q CB 1.278 29.936 28.738 -0.133 0.000 1.288 200 Q HN 0.555 nan 8.270 nan 0.000 0.484 201 I N -2.664 117.799 120.570 -0.178 0.000 3.042 201 I HA 0.428 4.586 4.170 -0.019 0.000 0.310 201 I C -1.154 174.820 176.117 -0.239 0.000 1.117 201 I CA -1.429 59.738 61.300 -0.221 0.000 1.003 201 I CB 1.369 39.324 38.000 -0.074 0.000 1.228 201 I HN 0.457 nan 8.210 nan 0.000 0.443 202 Y N 0.899 121.197 120.300 -0.003 0.000 2.319 202 Y HA 0.185 4.723 4.550 -0.019 0.000 0.328 202 Y C 0.320 176.210 175.900 -0.017 0.000 1.133 202 Y CA -0.126 57.966 58.100 -0.012 0.000 1.265 202 Y CB 0.527 38.974 38.460 -0.023 0.000 1.218 202 Y HN 0.522 nan 8.280 nan 0.000 0.508 203 D N 1.882 122.375 120.400 0.155 0.000 2.346 203 D HA 0.022 4.650 4.640 -0.019 0.000 0.260 203 D C 0.731 177.054 176.300 0.039 0.000 1.252 203 D CA 0.217 54.264 54.000 0.078 0.000 0.895 203 D CB 0.829 41.672 40.800 0.072 0.000 1.097 203 D HN 0.731 nan 8.370 nan 0.000 0.489 204 T N 0.454 115.005 114.554 -0.006 0.000 2.999 204 T HA 0.026 4.364 4.350 -0.019 0.000 0.247 204 T C 1.474 176.116 174.700 -0.096 0.000 1.012 204 T CA -0.246 61.807 62.100 -0.078 0.000 1.048 204 T CB -0.023 68.757 68.868 -0.146 0.000 1.020 204 T HN 0.108 nan 8.240 nan 0.000 0.478 205 N N 1.949 120.614 118.700 -0.059 0.000 2.069 205 N HA -0.042 4.686 4.740 -0.019 0.000 0.191 205 N C 1.929 177.405 175.510 -0.057 0.000 1.031 205 N CA 1.349 54.369 53.050 -0.049 0.000 0.852 205 N CB -0.407 38.080 38.487 0.000 0.000 1.018 205 N HN 0.464 nan 8.380 nan 0.000 0.423 206 R N 0.680 121.162 120.500 -0.029 0.000 2.081 206 R HA -0.021 4.308 4.340 -0.019 0.000 0.235 206 R C 2.194 178.484 176.300 -0.017 0.000 1.131 206 R CA 0.779 56.869 56.100 -0.017 0.000 0.960 206 R CB -0.365 29.948 30.300 0.022 0.000 0.856 206 R HN 0.215 nan 8.270 nan 0.000 0.436 207 L N 0.278 121.479 121.223 -0.038 0.000 2.017 207 L HA -0.136 4.192 4.340 -0.019 0.000 0.208 207 L C 2.289 179.115 176.870 -0.073 0.000 1.073 207 L CA 1.948 56.752 54.840 -0.059 0.000 0.745 207 L CB -0.764 41.242 42.059 -0.089 0.000 0.894 207 L HN 0.373 nan 8.230 nan 0.000 0.432 208 A N -0.557 122.200 122.820 -0.104 0.000 1.908 208 A HA -0.189 4.120 4.320 -0.019 0.000 0.218 208 A C 2.206 179.664 177.584 -0.210 0.000 1.181 208 A CA 2.065 54.027 52.037 -0.125 0.000 0.627 208 A CB -0.907 18.028 19.000 -0.109 0.000 0.818 208 A HN 0.360 nan 8.150 nan 0.000 0.445 209 V N -0.565 119.199 119.914 -0.250 0.000 2.427 209 V HA -0.218 3.891 4.120 -0.019 0.000 0.248 209 V C 2.526 178.453 176.094 -0.278 0.000 1.051 209 V CA 2.054 64.085 62.300 -0.447 0.000 1.048 209 V CB -0.939 30.660 31.823 -0.374 0.000 0.666 209 V HN 0.762 nan 8.190 nan 0.000 0.456 210 H N 0.366 119.311 119.070 -0.208 0.000 2.321 210 H HA -0.107 4.437 4.556 -0.019 0.000 0.300 210 H C 2.178 177.427 175.328 -0.132 0.000 1.087 210 H CA 2.046 58.013 56.048 -0.135 0.000 1.319 210 H CB -0.207 29.501 29.762 -0.089 0.000 1.379 210 H HN 0.337 nan 8.280 nan 0.000 0.501 211 L N -0.313 120.939 121.223 0.048 0.000 2.046 211 L HA -0.205 4.124 4.340 -0.019 0.000 0.208 211 L C 3.039 179.874 176.870 -0.058 0.000 1.077 211 L CA 1.241 56.078 54.840 -0.005 0.000 0.747 211 L CB -0.384 41.640 42.059 -0.058 0.000 0.896 211 L HN 0.246 nan 8.230 nan 0.000 0.432 212 M N -0.717 118.788 119.600 -0.159 0.000 2.132 212 M HA -0.200 4.269 4.480 -0.019 0.000 0.263 212 M C 2.348 178.616 176.300 -0.054 0.000 1.065 212 M CA 1.685 56.887 55.300 -0.164 0.000 1.122 212 M CB -0.358 32.041 32.600 -0.335 0.000 1.365 212 M HN 0.230 nan 8.290 nan 0.000 0.411 213 L N -0.053 121.120 121.223 -0.083 0.000 1.990 213 L HA -0.257 4.071 4.340 -0.019 0.000 0.213 213 L C 2.414 179.285 176.870 0.003 0.000 1.072 213 L CA 1.568 56.405 54.840 -0.005 0.000 0.755 213 L CB -0.714 41.300 42.059 -0.075 0.000 0.889 213 L HN 0.354 nan 8.230 nan 0.000 0.432 214 E N -0.616 119.591 120.200 0.011 0.000 2.110 214 E HA -0.223 4.116 4.350 -0.019 0.000 0.193 214 E C 2.269 178.883 176.600 0.024 0.000 0.988 214 E CA 0.856 57.276 56.400 0.032 0.000 0.804 214 E CB -0.001 29.748 29.700 0.082 0.000 0.745 214 E HN 0.458 nan 8.360 nan 0.000 0.458 215 Q N 0.188 119.995 119.800 0.012 0.000 2.224 215 Q HA -0.047 4.281 4.340 -0.019 0.000 0.203 215 Q C 2.195 178.206 176.000 0.018 0.000 0.970 215 Q CA 0.710 56.518 55.803 0.009 0.000 0.865 215 Q CB -0.071 28.659 28.738 -0.014 0.000 0.922 215 Q HN 0.362 nan 8.270 nan 0.000 0.445 216 L N -1.003 120.231 121.223 0.019 0.000 2.478 216 L HA 0.017 4.345 4.340 -0.019 0.000 0.223 216 L C 1.174 178.055 176.870 0.019 0.000 1.140 216 L CA 0.748 55.598 54.840 0.017 0.000 0.842 216 L CB -0.135 41.941 42.059 0.030 0.000 0.953 216 L HN 0.396 nan 8.230 nan 0.000 0.452 217 G N -1.336 107.480 108.800 0.026 0.000 2.163 217 G HA2 -0.222 3.727 3.960 -0.019 0.000 0.213 217 G HA3 -0.222 3.727 3.960 -0.019 0.000 0.213 217 G C 0.215 175.126 174.900 0.018 0.000 0.991 217 G CA -0.175 44.941 45.100 0.027 0.000 0.653 217 G HN 0.270 nan 8.290 nan 0.000 0.518 218 C N 0.594 119.902 119.300 0.014 0.000 2.604 218 C HA 0.587 5.036 4.460 -0.019 0.000 0.396 218 C C 0.919 175.906 174.990 -0.006 0.000 1.282 218 C CA -0.347 58.674 59.018 0.006 0.000 2.292 218 C CB 1.095 28.840 27.740 0.008 0.000 2.633 218 C HN 0.608 nan 8.230 nan 0.000 0.620 219 E N 1.002 121.197 120.200 -0.007 0.000 2.194 219 E HA 0.451 4.790 4.350 -0.019 0.000 0.284 219 E C -1.125 175.449 176.600 -0.043 0.000 1.035 219 E CA -0.184 56.208 56.400 -0.014 0.000 0.836 219 E CB 0.603 30.302 29.700 -0.001 0.000 1.070 219 E HN 0.511 nan 8.360 nan 0.000 0.401 220 V N 6.522 126.387 119.914 -0.082 0.000 2.435 220 V HA 0.358 4.466 4.120 -0.019 0.000 0.290 220 V C -0.029 175.991 176.094 -0.123 0.000 1.030 220 V CA -0.662 61.533 62.300 -0.175 0.000 0.881 220 V CB 1.419 32.974 31.823 -0.448 0.000 0.983 220 V HN 0.651 nan 8.190 nan 0.000 0.445 221 I N 4.188 124.701 120.570 -0.095 0.000 2.428 221 I HA 0.335 4.493 4.170 -0.019 0.000 0.279 221 I C 0.167 176.272 176.117 -0.020 0.000 1.040 221 I CA 0.020 61.300 61.300 -0.032 0.000 1.171 221 I CB 0.759 38.760 38.000 0.001 0.000 1.312 221 I HN 0.609 nan 8.210 nan 0.000 0.470 222 N N 5.620 124.323 118.700 0.005 0.000 2.469 222 N HA 0.176 4.904 4.740 -0.019 0.000 0.239 222 N C 0.691 176.255 175.510 0.090 0.000 1.053 222 N CA -0.525 52.565 53.050 0.067 0.000 0.937 222 N CB 0.718 39.314 38.487 0.182 0.000 1.163 222 N HN 0.479 nan 8.380 nan 0.000 0.509 223 L N 2.959 124.251 121.223 0.115 0.000 2.552 223 L HA 0.258 4.586 4.340 -0.019 0.000 0.227 223 L C 1.634 178.553 176.870 0.081 0.000 1.146 223 L CA 0.792 55.685 54.840 0.089 0.000 0.858 223 L CB -1.926 40.180 42.059 0.078 0.000 0.969 223 L HN 0.844 nan 8.230 nan 0.000 0.451 224 G N -0.021 108.848 108.800 0.115 0.000 2.499 224 G HA2 -0.255 3.694 3.960 -0.019 0.000 0.232 224 G HA3 -0.255 3.694 3.960 -0.019 0.000 0.232 224 G C -0.072 174.894 174.900 0.110 0.000 1.251 224 G CA -0.268 44.887 45.100 0.092 0.000 0.917 224 G HN 0.085 nan 8.290 nan 0.000 0.580 225 I N 1.873 122.489 120.570 0.077 0.000 2.304 225 I HA 0.316 4.475 4.170 -0.019 0.000 0.291 225 I C 0.252 176.393 176.117 0.040 0.000 1.018 225 I CA -0.764 60.583 61.300 0.078 0.000 1.260 225 I CB 1.004 39.044 38.000 0.067 0.000 1.390 225 I HN 0.245 nan 8.210 nan 0.000 0.475 226 I N 6.434 127.017 120.570 0.021 0.000 2.428 226 I HA 0.214 4.373 4.170 -0.019 0.000 0.289 226 I C 0.773 176.903 176.117 0.021 0.000 1.019 226 I CA -0.410 60.867 61.300 -0.038 0.000 1.351 226 I CB 0.781 38.677 38.000 -0.173 0.000 1.412 226 I HN 0.685 nan 8.210 nan 0.000 0.513 227 R N 3.480 123.992 120.500 0.021 0.000 2.641 227 R HA 0.139 4.467 4.340 -0.019 0.000 0.269 227 R C -0.082 176.268 176.300 0.083 0.000 1.074 227 R CA -0.603 55.523 56.100 0.045 0.000 1.133 227 R CB 0.517 30.833 30.300 0.027 0.000 1.029 227 R HN 0.434 nan 8.270 nan 0.000 0.488 228 D N 1.498 121.959 120.400 0.101 0.000 2.551 228 D HA -0.052 4.576 4.640 -0.019 0.000 0.248 228 D C -0.995 175.325 176.300 0.033 0.000 1.238 228 D CA 1.101 55.192 54.000 0.152 0.000 1.236 228 D CB -0.230 40.640 40.800 0.116 0.000 1.133 228 D HN 0.507 nan 8.370 nan 0.000 0.504 229 D N 2.155 122.583 120.400 0.047 0.000 2.891 229 D HA 0.114 4.743 4.640 -0.019 0.000 0.224 229 D C -2.155 174.137 176.300 -0.014 0.000 1.321 229 D CA -1.650 52.309 54.000 -0.068 0.000 0.929 229 D CB 2.317 43.120 40.800 0.005 0.000 1.551 229 D HN -0.092 nan 8.370 nan 0.000 0.574 230 P HA -0.171 nan 4.420 nan 0.000 0.216 230 P C 1.189 178.472 177.300 -0.027 0.000 1.154 230 P CA 1.293 64.371 63.100 -0.037 0.000 0.865 230 P CB 0.129 31.689 31.700 -0.233 0.000 0.789 231 H N -1.348 117.726 119.070 0.007 0.000 2.403 231 H HA 0.128 4.672 4.556 -0.019 0.000 0.298 231 H C 1.927 177.261 175.328 0.009 0.000 1.059 231 H CA 1.385 57.437 56.048 0.007 0.000 1.363 231 H CB -0.439 29.314 29.762 -0.015 0.000 1.410 231 H HN 0.081 nan 8.280 nan 0.000 0.528 232 A N 1.303 124.193 122.820 0.117 0.000 1.930 232 A HA -0.070 4.238 4.320 -0.019 0.000 0.217 232 A C 2.524 180.110 177.584 0.003 0.000 1.175 232 A CA 0.663 52.726 52.037 0.044 0.000 0.627 232 A CB -0.576 18.438 19.000 0.024 0.000 0.815 232 A HN 0.277 nan 8.150 nan 0.000 0.443 233 L N -1.010 120.248 121.223 0.058 0.000 2.068 233 L HA -0.088 4.240 4.340 -0.019 0.000 0.204 233 L C 2.712 179.654 176.870 0.121 0.000 1.076 233 L CA 1.650 56.519 54.840 0.049 0.000 0.753 233 L CB -0.523 41.652 42.059 0.194 0.000 0.910 233 L HN 0.508 nan 8.230 nan 0.000 0.439 234 R N -0.043 120.533 120.500 0.127 0.000 2.096 234 R HA -0.230 4.098 4.340 -0.019 0.000 0.240 234 R C 2.184 178.541 176.300 0.096 0.000 1.139 234 R CA 1.954 58.118 56.100 0.107 0.000 0.952 234 R CB -0.270 30.040 30.300 0.016 0.000 0.854 234 R HN 0.458 nan 8.270 nan 0.000 0.436 235 A N 0.383 123.232 122.820 0.048 0.000 1.930 235 A HA -0.065 4.244 4.320 -0.019 0.000 0.217 235 A C 2.344 179.910 177.584 -0.030 0.000 1.175 235 A CA 1.569 53.618 52.037 0.020 0.000 0.627 235 A CB -0.736 18.273 19.000 0.014 0.000 0.815 235 A HN 0.559 nan 8.150 nan 0.000 0.443 236 A N -1.244 121.500 122.820 -0.127 0.000 1.940 236 A HA -0.060 4.248 4.320 -0.019 0.000 0.219 236 A C 1.987 179.413 177.584 -0.263 0.000 1.176 236 A CA 1.494 53.347 52.037 -0.308 0.000 0.631 236 A CB -0.743 17.839 19.000 -0.697 0.000 0.814 236 A HN 0.490 nan 8.150 nan 0.000 0.446 237 F N -0.435 119.430 119.950 -0.142 0.000 2.146 237 F HA -0.098 4.417 4.527 -0.020 0.000 0.298 237 F C 2.107 177.907 175.800 -0.001 0.000 1.096 237 F CA 1.501 59.498 58.000 -0.005 0.000 1.275 237 F CB -0.179 38.800 39.000 -0.036 0.000 1.008 237 F HN 0.125 nan 8.300 nan 0.000 0.480 238 I N -0.172 120.488 120.570 0.150 0.000 2.286 238 I HA -0.242 3.916 4.170 -0.019 0.000 0.245 238 I C 2.430 178.580 176.117 0.055 0.000 1.104 238 I CA 1.453 62.803 61.300 0.084 0.000 1.397 238 I CB -0.330 37.699 38.000 0.048 0.000 1.072 238 I HN 0.085 nan 8.210 nan 0.000 0.417 239 E N 1.821 122.040 120.200 0.032 0.000 2.047 239 E HA -0.193 4.146 4.350 -0.019 0.000 0.191 239 E C 2.082 178.704 176.600 0.037 0.000 0.987 239 E CA 1.764 58.176 56.400 0.020 0.000 0.799 239 E CB -0.408 29.291 29.700 -0.001 0.000 0.752 239 E HN 0.349 nan 8.360 nan 0.000 0.449 240 A N 1.442 124.294 122.820 0.054 0.000 1.865 240 A HA -0.285 4.024 4.320 -0.019 0.000 0.217 240 A C 2.272 179.910 177.584 0.090 0.000 1.191 240 A CA 2.071 54.163 52.037 0.091 0.000 0.623 240 A CB -1.253 17.845 19.000 0.163 0.000 0.826 240 A HN 0.588 nan 8.150 nan 0.000 0.444 241 D N 0.046 120.511 120.400 0.108 0.000 2.182 241 D HA -0.163 4.466 4.640 -0.019 0.000 0.201 241 D C 2.013 178.333 176.300 0.034 0.000 0.986 241 D CA 1.888 55.934 54.000 0.076 0.000 0.847 241 D CB -0.001 40.844 40.800 0.074 0.000 0.942 241 D HN 0.527 nan 8.370 nan 0.000 0.467 242 S N -0.797 114.922 115.700 0.031 0.000 2.527 242 S HA -0.030 4.429 4.470 -0.019 0.000 0.222 242 S C 1.550 176.160 174.600 0.016 0.000 0.985 242 S CA 0.268 58.477 58.200 0.015 0.000 0.921 242 S CB 0.226 63.433 63.200 0.012 0.000 0.772 242 S HN 0.281 nan 8.310 nan 0.000 0.529 243 Q N 0.324 120.139 119.800 0.025 0.000 2.214 243 Q HA 0.547 4.875 4.340 -0.019 0.000 0.229 243 Q C 0.376 176.392 176.000 0.027 0.000 0.835 243 Q CA 0.323 56.140 55.803 0.023 0.000 0.953 243 Q CB 0.954 29.706 28.738 0.023 0.000 1.131 243 Q HN 0.611 nan 8.270 nan 0.000 0.501 244 A N 0.577 123.417 122.820 0.034 0.000 2.479 244 A HA 0.477 4.786 4.320 -0.019 0.000 0.296 244 A C -0.329 177.283 177.584 0.047 0.000 1.121 244 A CA -0.553 51.509 52.037 0.040 0.000 0.743 244 A CB 1.221 20.249 19.000 0.047 0.000 1.323 244 A HN -0.097 nan 8.150 nan 0.000 0.415 245 D N -0.559 119.879 120.400 0.063 0.000 2.271 245 D HA 0.170 4.798 4.640 -0.019 0.000 0.206 245 D C 0.107 176.492 176.300 0.142 0.000 0.967 245 D CA 1.316 55.373 54.000 0.095 0.000 0.867 245 D CB 0.538 41.402 40.800 0.107 0.000 0.960 245 D HN 0.204 nan 8.370 nan 0.000 0.509 246 V N 0.753 120.740 119.914 0.120 0.000 2.971 246 V HA 0.381 4.490 4.120 -0.019 0.000 0.309 246 V C -0.473 175.676 176.094 0.091 0.000 1.130 246 V CA -0.893 61.492 62.300 0.142 0.000 0.964 246 V CB 3.146 35.053 31.823 0.141 0.000 1.029 246 V HN -0.278 nan 8.190 nan 0.000 0.427 247 V N 4.541 124.514 119.914 0.098 0.000 2.638 247 V HA 0.585 4.694 4.120 -0.019 0.000 0.306 247 V C -0.667 175.377 176.094 -0.084 0.000 1.052 247 V CA -0.375 61.964 62.300 0.065 0.000 0.885 247 V CB 1.945 33.915 31.823 0.245 0.000 0.999 247 V HN 0.683 nan 8.190 nan 0.000 0.424 248 I N 3.125 123.550 120.570 -0.240 0.000 2.466 248 I HA 0.395 4.553 4.170 -0.019 0.000 0.289 248 I C 0.029 175.832 176.117 -0.524 0.000 1.026 248 I CA -0.376 60.718 61.300 -0.342 0.000 1.078 248 I CB 2.173 40.076 38.000 -0.162 0.000 1.249 248 I HN 0.625 nan 8.210 nan 0.000 0.429 249 S N 3.535 118.970 115.700 -0.442 0.000 2.430 249 S HA 0.179 4.637 4.470 -0.019 0.000 0.289 249 S C 1.046 175.558 174.600 -0.147 0.000 1.143 249 S CA -0.512 57.489 58.200 -0.332 0.000 1.067 249 S CB 0.816 64.059 63.200 0.072 0.000 0.964 249 S HN 0.727 nan 8.310 nan 0.000 0.485 250 S N 3.321 118.953 115.700 -0.113 0.000 2.593 250 S HA 0.473 4.932 4.470 -0.019 0.000 0.217 250 S C 0.856 175.475 174.600 0.033 0.000 0.966 250 S CA 0.015 58.197 58.200 -0.030 0.000 0.914 250 S CB -0.234 62.940 63.200 -0.044 0.000 0.776 250 S HN 1.383 nan 8.310 nan 0.000 0.523 251 G N -1.692 107.144 108.800 0.058 0.000 2.378 251 G HA2 0.519 4.468 3.960 -0.019 0.000 0.302 251 G HA3 0.519 4.468 3.960 -0.019 0.000 0.302 251 G C 0.188 175.157 174.900 0.116 0.000 1.669 251 G CA -0.243 44.912 45.100 0.092 0.000 0.920 251 G HN 1.157 nan 8.290 nan 0.000 0.697 252 G N -1.072 107.799 108.800 0.119 0.000 2.376 252 G HA2 -0.015 3.933 3.960 -0.019 0.000 0.208 252 G HA3 -0.015 3.933 3.960 -0.019 0.000 0.208 252 G C 0.565 175.535 174.900 0.117 0.000 1.032 252 G CA 0.594 45.764 45.100 0.117 0.000 0.641 252 G HN 1.775 nan 8.290 nan 0.000 0.503 253 V N 2.232 122.253 119.914 0.179 0.000 2.775 253 V HA 0.573 4.681 4.120 -0.019 0.000 0.299 253 V C 1.433 177.620 176.094 0.155 0.000 1.062 253 V CA 0.432 62.848 62.300 0.193 0.000 1.063 253 V CB 1.566 33.619 31.823 0.384 0.000 0.994 253 V HN 0.847 nan 8.190 nan 0.000 0.483 254 S N 2.763 118.516 115.700 0.088 0.000 2.552 254 S HA 0.051 4.509 4.470 -0.019 0.000 0.289 254 S C 0.585 175.307 174.600 0.203 0.000 1.304 254 S CA -0.109 58.126 58.200 0.057 0.000 1.063 254 S CB 0.694 63.847 63.200 -0.078 0.000 0.848 254 S HN 1.041 nan 8.310 nan 0.000 0.499 255 V N 2.646 122.654 119.914 0.158 0.000 3.177 255 V HA 0.679 4.787 4.120 -0.019 0.000 0.342 255 V C 1.243 177.443 176.094 0.176 0.000 1.379 255 V CA 0.367 62.842 62.300 0.291 0.000 1.191 255 V CB -0.630 31.333 31.823 0.232 0.000 1.167 255 V HN 1.126 nan 8.190 nan 0.000 0.471 256 G N -0.077 108.547 108.800 -0.293 0.000 3.768 256 G HA2 -0.100 3.849 3.960 -0.019 0.000 0.214 256 G HA3 -0.100 3.849 3.960 -0.019 0.000 0.214 256 G C 0.074 174.700 174.900 -0.456 0.000 1.058 256 G CA -0.111 44.644 45.100 -0.574 0.000 0.890 256 G HN 0.465 nan 8.290 nan 0.000 0.393 257 E N 1.160 121.222 120.200 -0.231 0.000 2.437 257 E HA 0.501 4.839 4.350 -0.019 0.000 0.263 257 E C 0.659 177.147 176.600 -0.188 0.000 1.030 257 E CA 0.437 56.745 56.400 -0.153 0.000 0.934 257 E CB 0.898 30.556 29.700 -0.071 0.000 0.943 257 E HN 0.625 nan 8.360 nan 0.000 0.444 258 A N 3.709 126.451 122.820 -0.130 0.000 2.366 258 A HA 0.441 4.749 4.320 -0.019 0.000 0.272 258 A C -0.701 176.843 177.584 -0.068 0.000 1.135 258 A CA -0.127 51.843 52.037 -0.111 0.000 0.804 258 A CB 0.181 19.136 19.000 -0.075 0.000 1.064 258 A HN 0.669 nan 8.150 nan 0.000 0.499 259 D N -0.134 120.226 120.400 -0.066 0.000 2.809 259 D HA 0.089 4.717 4.640 -0.019 0.000 0.336 259 D C 0.151 176.443 176.300 -0.013 0.000 1.367 259 D CA -0.013 53.979 54.000 -0.013 0.000 0.815 259 D CB -0.263 40.520 40.800 -0.028 0.000 1.381 259 D HN 0.460 nan 8.370 nan 0.000 0.471 260 Y N -1.042 119.242 120.300 -0.028 0.000 2.352 260 Y HA -0.051 4.488 4.550 -0.019 0.000 0.292 260 Y C 2.147 178.024 175.900 -0.038 0.000 1.136 260 Y CA 1.971 60.049 58.100 -0.036 0.000 1.227 260 Y CB -1.132 37.309 38.460 -0.031 0.000 0.991 260 Y HN 0.500 nan 8.280 nan 0.000 0.545 261 T N -1.148 113.002 114.554 -0.674 0.000 2.777 261 T HA -0.214 4.125 4.350 -0.019 0.000 0.266 261 T C 1.860 176.424 174.700 -0.226 0.000 1.040 261 T CA 1.563 63.380 62.100 -0.472 0.000 1.141 261 T CB -0.485 68.137 68.868 -0.409 0.000 0.868 261 T HN 0.508 nan 8.240 nan 0.000 0.444 262 K N 0.842 121.139 120.400 -0.172 0.000 2.097 262 K HA -0.135 4.173 4.320 -0.019 0.000 0.206 262 K C 2.566 179.110 176.600 -0.092 0.000 1.049 262 K CA 1.824 58.048 56.287 -0.106 0.000 0.933 262 K CB -0.525 31.870 32.500 -0.175 0.000 0.717 262 K HN 0.543 nan 8.250 nan 0.000 0.442 263 T N -0.647 113.850 114.554 -0.096 0.000 2.985 263 T HA -0.008 4.331 4.350 -0.019 0.000 0.266 263 T C 1.892 176.522 174.700 -0.117 0.000 1.076 263 T CA 0.708 62.761 62.100 -0.079 0.000 1.135 263 T CB -0.206 68.636 68.868 -0.042 0.000 0.890 263 T HN 0.238 nan 8.240 nan 0.000 0.480 264 I N 0.860 121.341 120.570 -0.148 0.000 2.163 264 I HA -0.130 4.028 4.170 -0.019 0.000 0.243 264 I C 2.553 178.449 176.117 -0.368 0.000 1.085 264 I CA 1.343 62.508 61.300 -0.225 0.000 1.347 264 I CB -0.378 37.493 38.000 -0.214 0.000 1.044 264 I HN 0.272 nan 8.210 nan 0.000 0.408 265 L N 0.213 121.187 121.223 -0.414 0.000 2.042 265 L HA -0.262 4.067 4.340 -0.019 0.000 0.210 265 L C 2.504 179.198 176.870 -0.293 0.000 1.076 265 L CA 1.559 56.115 54.840 -0.472 0.000 0.749 265 L CB -0.528 41.327 42.059 -0.341 0.000 0.893 265 L HN 0.248 nan 8.230 nan 0.000 0.432 266 E N -0.286 119.815 120.200 -0.165 0.000 2.110 266 E HA -0.275 4.063 4.350 -0.019 0.000 0.193 266 E C 2.110 178.633 176.600 -0.128 0.000 0.988 266 E CA 1.466 57.801 56.400 -0.107 0.000 0.804 266 E CB 0.038 29.706 29.700 -0.054 0.000 0.745 266 E HN 0.453 nan 8.360 nan 0.000 0.458 267 E N 0.254 120.366 120.200 -0.147 0.000 2.107 267 E HA -0.155 4.184 4.350 -0.019 0.000 0.191 267 E C 1.706 178.215 176.600 -0.153 0.000 0.982 267 E CA 0.759 57.081 56.400 -0.130 0.000 0.809 267 E CB 0.064 29.696 29.700 -0.114 0.000 0.756 267 E HN 0.296 nan 8.360 nan 0.000 0.459 268 L N 0.030 121.121 121.223 -0.220 0.000 2.585 268 L HA 0.356 4.684 4.340 -0.019 0.000 0.226 268 L C 1.055 177.791 176.870 -0.223 0.000 1.113 268 L CA 0.224 54.933 54.840 -0.218 0.000 0.876 268 L CB 0.811 42.702 42.059 -0.279 0.000 1.072 268 L HN 0.155 nan 8.230 nan 0.000 0.468 269 G N -0.717 107.940 108.800 -0.239 0.000 2.606 269 G HA2 0.413 4.361 3.960 -0.019 0.000 0.300 269 G HA3 0.413 4.361 3.960 -0.019 0.000 0.300 269 G C -1.566 173.213 174.900 -0.201 0.000 1.360 269 G CA -0.445 44.514 45.100 -0.235 0.000 0.783 269 G HN -0.142 nan 8.290 nan 0.000 0.484 270 E N 0.552 120.634 120.200 -0.197 0.000 2.121 270 E HA 0.449 4.787 4.350 -0.019 0.000 0.255 270 E C -0.951 175.523 176.600 -0.210 0.000 0.906 270 E CA -0.404 55.901 56.400 -0.158 0.000 0.745 270 E CB 1.607 31.245 29.700 -0.103 0.000 1.155 270 E HN 0.297 nan 8.360 nan 0.000 0.424 271 I N 1.515 121.923 120.570 -0.270 0.000 2.378 271 I HA 0.450 4.609 4.170 -0.019 0.000 0.291 271 I C 0.229 176.004 176.117 -0.569 0.000 0.992 271 I CA -0.872 60.152 61.300 -0.460 0.000 1.154 271 I CB 1.845 39.484 38.000 -0.602 0.000 1.315 271 I HN 0.337 nan 8.210 nan 0.000 0.448 272 A N 5.844 128.307 122.820 -0.594 0.000 2.303 272 A HA 0.829 5.138 4.320 -0.019 0.000 0.317 272 A C -1.039 175.988 177.584 -0.927 0.000 1.149 272 A CA -0.304 51.409 52.037 -0.541 0.000 0.822 272 A CB 0.254 19.067 19.000 -0.312 0.000 1.131 272 A HN 0.495 nan 8.150 nan 0.000 0.493 273 F N 2.106 121.943 119.950 -0.188 0.000 2.382 273 F HA 0.421 4.936 4.527 -0.019 0.000 0.361 273 F C -0.475 175.390 175.800 0.109 0.000 1.109 273 F CA -0.380 57.564 58.000 -0.094 0.000 1.031 273 F CB 1.098 40.094 39.000 -0.006 0.000 1.234 273 F HN 0.511 nan 8.300 nan 0.000 0.445 274 W N 2.848 124.296 121.300 0.246 0.000 2.516 274 W HA 0.538 5.187 4.660 -0.018 0.000 0.343 274 W C -0.366 176.276 176.519 0.205 0.000 1.094 274 W CA -1.291 56.178 57.345 0.206 0.000 1.250 274 W CB 1.316 30.898 29.460 0.203 0.000 1.308 274 W HN 0.120 nan 8.180 nan 0.000 0.588 275 K N 3.196 123.832 120.400 0.394 0.000 2.483 275 K HA 0.399 4.707 4.320 -0.019 0.000 0.256 275 K C -0.775 175.939 176.600 0.190 0.000 0.961 275 K CA -1.049 55.391 56.287 0.255 0.000 0.873 275 K CB 1.687 34.298 32.500 0.186 0.000 1.107 275 K HN 0.114 nan 8.250 nan 0.000 0.432 276 L N 1.191 122.521 121.223 0.179 0.000 2.343 276 L HA 0.436 4.765 4.340 -0.019 0.000 0.275 276 L C 0.822 177.740 176.870 0.080 0.000 1.056 276 L CA -0.575 54.328 54.840 0.105 0.000 0.804 276 L CB 1.186 43.304 42.059 0.099 0.000 1.203 276 L HN 0.686 nan 8.230 nan 0.000 0.440 277 A N 4.682 127.530 122.820 0.046 0.000 3.135 277 A HA 0.502 4.810 4.320 -0.019 0.000 0.253 277 A C 0.099 177.717 177.584 0.057 0.000 1.638 277 A CA -0.181 51.881 52.037 0.042 0.000 1.295 277 A CB -1.299 17.710 19.000 0.015 0.000 1.106 277 A HN 0.597 nan 8.150 nan 0.000 0.648 278 I N -3.496 117.126 120.570 0.086 0.000 3.108 278 I HA 0.801 4.960 4.170 -0.019 0.000 0.312 278 I C -0.678 175.516 176.117 0.128 0.000 1.095 278 I CA -1.338 60.042 61.300 0.133 0.000 1.000 278 I CB 2.335 40.435 38.000 0.166 0.000 1.229 278 I HN 0.040 nan 8.210 nan 0.000 0.454 279 K N 3.119 123.618 120.400 0.166 0.000 2.535 279 K HA 0.575 4.884 4.320 -0.019 0.000 0.251 279 K C -2.908 173.812 176.600 0.200 0.000 0.942 279 K CA -1.641 54.732 56.287 0.143 0.000 0.798 279 K CB 2.655 35.211 32.500 0.094 0.000 1.267 279 K HN 0.408 nan 8.250 nan 0.000 0.434 280 P HA 0.301 nan 4.420 nan 0.000 0.274 280 P C -0.153 177.229 177.300 0.136 0.000 1.256 280 P CA 0.354 63.543 63.100 0.147 0.000 0.795 280 P CB 0.676 32.471 31.700 0.158 0.000 1.038 281 G N -0.541 108.339 108.800 0.133 0.000 2.612 281 G HA2 -0.017 3.932 3.960 -0.019 0.000 0.686 281 G HA3 -0.017 3.932 3.960 -0.019 0.000 0.686 281 G C -0.323 174.653 174.900 0.127 0.000 1.274 281 G CA 0.258 45.436 45.100 0.130 0.000 0.849 281 G HN 0.812 nan 8.290 nan 0.000 0.595 282 K N -1.090 119.396 120.400 0.143 0.000 3.179 282 K HA 0.193 4.501 4.320 -0.019 0.000 0.217 282 K C -2.409 174.316 176.600 0.207 0.000 2.086 282 K CA 0.621 57.000 56.287 0.153 0.000 1.488 282 K CB 0.207 32.787 32.500 0.133 0.000 2.388 282 K HN 0.524 nan 8.250 nan 0.000 0.586 283 P HA 0.296 nan 4.420 nan 0.000 0.282 283 P C -1.282 176.251 177.300 0.388 0.000 1.249 283 P CA -0.050 63.220 63.100 0.284 0.000 0.806 283 P CB 0.618 32.454 31.700 0.227 0.000 0.984 284 F N 0.966 121.042 119.950 0.209 0.000 2.622 284 F HA 0.602 5.118 4.527 -0.019 0.000 0.318 284 F C -1.565 174.272 175.800 0.061 0.000 1.135 284 F CA -0.824 57.268 58.000 0.153 0.000 1.015 284 F CB 1.244 40.361 39.000 0.196 0.000 1.275 284 F HN 0.442 nan 8.300 nan 0.000 0.457 285 A N 5.044 127.533 122.820 -0.552 0.000 2.325 285 A HA 0.874 5.183 4.320 -0.019 0.000 0.333 285 A C -2.008 175.024 177.584 -0.921 0.000 1.155 285 A CA -0.484 51.188 52.037 -0.610 0.000 0.814 285 A CB 0.961 19.858 19.000 -0.172 0.000 1.206 285 A HN 0.890 nan 8.150 nan 0.000 0.482 286 F N 0.492 119.881 119.950 -0.935 0.000 2.672 286 F HA 0.619 5.135 4.527 -0.018 0.000 0.311 286 F C -0.010 175.548 175.800 -0.403 0.000 1.113 286 F CA 0.721 58.298 58.000 -0.706 0.000 0.996 286 F CB 1.583 40.077 39.000 -0.843 0.000 1.286 286 F HN 1.373 nan 8.300 nan 0.000 0.441 287 G N 3.801 111.951 108.800 -1.083 0.000 2.324 287 G HA2 0.269 4.218 3.960 -0.019 0.000 0.293 287 G HA3 0.269 4.218 3.960 -0.019 0.000 0.293 287 G C -2.284 172.367 174.900 -0.414 0.000 1.297 287 G CA -1.170 43.574 45.100 -0.593 0.000 0.853 287 G HN 0.669 nan 8.290 nan 0.000 0.535 288 K N 0.178 120.376 120.400 -0.337 0.000 2.183 288 K HA 0.673 4.982 4.320 -0.019 0.000 0.274 288 K C 0.229 176.604 176.600 -0.375 0.000 1.009 288 K CA -0.506 55.451 56.287 -0.549 0.000 0.888 288 K CB 0.814 32.920 32.500 -0.655 0.000 1.078 288 K HN 0.394 nan 8.250 nan 0.000 0.459 289 L N 0.986 121.998 121.223 -0.351 0.000 2.751 289 L HA 0.248 4.576 4.340 -0.019 0.000 0.241 289 L C 1.707 178.427 176.870 -0.249 0.000 1.146 289 L CA -0.555 54.141 54.840 -0.239 0.000 0.879 289 L CB 0.716 42.699 42.059 -0.127 0.000 1.687 289 L HN 0.661 nan 8.230 nan 0.000 0.527 290 S N -0.012 115.585 115.700 -0.171 0.000 2.368 290 S HA -0.065 4.394 4.470 -0.019 0.000 0.225 290 S C 0.942 175.441 174.600 -0.167 0.000 1.030 290 S CA 1.292 59.402 58.200 -0.149 0.000 0.999 290 S CB -0.182 62.960 63.200 -0.096 0.000 0.844 290 S HN 0.608 nan 8.310 nan 0.000 0.459 291 N N 0.157 118.762 118.700 -0.159 0.000 2.116 291 N HA 0.129 4.858 4.740 -0.019 0.000 0.230 291 N C -0.592 174.816 175.510 -0.170 0.000 1.326 291 N CA 0.148 53.109 53.050 -0.147 0.000 0.867 291 N CB 1.171 39.613 38.487 -0.074 0.000 1.174 291 N HN 0.371 nan 8.380 nan 0.000 0.506 292 S N -0.627 114.933 115.700 -0.232 0.000 2.651 292 S HA 0.611 5.069 4.470 -0.019 0.000 0.279 292 S C -1.625 172.748 174.600 -0.378 0.000 1.148 292 S CA -0.811 57.275 58.200 -0.189 0.000 0.837 292 S CB 1.402 64.596 63.200 -0.011 0.000 1.138 292 S HN 0.188 nan 8.310 nan 0.000 0.478 293 W N 1.105 122.395 121.300 -0.017 0.000 2.390 293 W HA 0.620 5.269 4.660 -0.018 0.000 0.312 293 W C -0.529 175.958 176.519 -0.053 0.000 1.123 293 W CA -0.586 56.701 57.345 -0.097 0.000 1.202 293 W CB 1.026 30.461 29.460 -0.041 0.000 1.251 293 W HN 0.615 nan 8.180 nan 0.000 0.511 294 F N 4.048 123.950 119.950 -0.080 0.000 2.420 294 F HA 0.603 5.119 4.527 -0.019 0.000 0.342 294 F C -0.520 175.207 175.800 -0.122 0.000 1.113 294 F CA -1.141 56.808 58.000 -0.084 0.000 1.059 294 F CB 0.560 39.499 39.000 -0.102 0.000 1.128 294 F HN 0.173 nan 8.300 nan 0.000 0.475 295 C N 4.564 123.281 119.300 -0.972 0.000 2.340 295 C HA 0.764 5.213 4.460 -0.019 0.000 0.323 295 C C 0.428 174.687 174.990 -1.219 0.000 1.260 295 C CA -0.912 57.616 59.018 -0.816 0.000 1.464 295 C CB 0.529 28.201 27.740 -0.113 0.000 2.156 295 C HN 1.069 nan 8.230 nan 0.000 0.476 296 G N 3.459 111.664 108.800 -0.992 0.000 2.422 296 G HA2 0.652 4.601 3.960 -0.019 0.000 0.317 296 G HA3 0.652 4.601 3.960 -0.019 0.000 0.317 296 G C -0.878 173.979 174.900 -0.071 0.000 1.210 296 G CA -0.284 44.575 45.100 -0.402 0.000 0.930 296 G HN 0.689 nan 8.290 nan 0.000 0.468 297 L N 3.509 124.775 121.223 0.071 0.000 2.344 297 L HA 0.526 4.854 4.340 -0.019 0.000 0.272 297 L C -1.748 175.228 176.870 0.176 0.000 1.035 297 L CA -2.135 52.828 54.840 0.205 0.000 0.807 297 L CB 2.479 44.649 42.059 0.185 0.000 1.237 297 L HN 0.343 nan 8.230 nan 0.000 0.442 298 P HA 0.079 nan 4.420 nan 0.000 0.274 298 P C 0.352 177.735 177.300 0.139 0.000 1.246 298 P CA -0.345 62.855 63.100 0.166 0.000 0.795 298 P CB 0.903 32.708 31.700 0.176 0.000 1.006 299 G N 0.731 109.604 108.800 0.121 0.000 2.484 299 G HA2 -0.146 3.802 3.960 -0.019 0.000 0.218 299 G HA3 -0.146 3.802 3.960 -0.019 0.000 0.218 299 G C 0.734 175.698 174.900 0.107 0.000 1.130 299 G CA 0.155 45.317 45.100 0.103 0.000 0.784 299 G HN 0.606 nan 8.290 nan 0.000 0.543 300 N N 0.904 119.679 118.700 0.125 0.000 2.468 300 N HA 0.210 4.939 4.740 -0.019 0.000 0.265 300 N C -1.309 174.302 175.510 0.169 0.000 1.199 300 N CA -1.272 51.864 53.050 0.144 0.000 0.928 300 N CB 1.657 40.238 38.487 0.156 0.000 1.059 300 N HN -0.145 nan 8.380 nan 0.000 0.467 301 P HA -0.156 nan 4.420 nan 0.000 0.216 301 P C 1.146 178.690 177.300 0.406 0.000 1.153 301 P CA 0.734 63.962 63.100 0.214 0.000 0.848 301 P CB 0.216 31.979 31.700 0.105 0.000 0.787 302 V N -0.009 120.184 119.914 0.465 0.000 2.261 302 V HA -0.251 3.857 4.120 -0.019 0.000 0.246 302 V C 2.383 178.676 176.094 0.330 0.000 1.047 302 V CA 2.529 65.108 62.300 0.464 0.000 1.015 302 V CB -1.640 30.392 31.823 0.348 0.000 0.642 302 V HN 0.143 nan 8.190 nan 0.000 0.446 303 S N 0.577 116.427 115.700 0.249 0.000 2.370 303 S HA -0.221 4.237 4.470 -0.019 0.000 0.226 303 S C 2.225 176.935 174.600 0.184 0.000 1.033 303 S CA 1.546 59.864 58.200 0.195 0.000 1.011 303 S CB -0.644 62.660 63.200 0.173 0.000 0.852 303 S HN 0.666 nan 8.310 nan 0.000 0.457 304 A N 1.415 124.351 122.820 0.194 0.000 1.877 304 A HA -0.115 4.193 4.320 -0.019 0.000 0.216 304 A C 2.377 180.083 177.584 0.203 0.000 1.186 304 A CA 2.072 54.219 52.037 0.184 0.000 0.620 304 A CB -1.345 17.746 19.000 0.151 0.000 0.822 304 A HN 0.478 nan 8.150 nan 0.000 0.443 305 T N 0.263 114.940 114.554 0.206 0.000 2.737 305 T HA -0.074 4.264 4.350 -0.019 0.000 0.265 305 T C 1.865 176.711 174.700 0.243 0.000 1.038 305 T CA 1.182 63.397 62.100 0.191 0.000 1.144 305 T CB -0.289 68.612 68.868 0.055 0.000 0.866 305 T HN 0.281 nan 8.240 nan 0.000 0.434 306 L N 1.310 122.658 121.223 0.209 0.000 2.046 306 L HA -0.101 4.227 4.340 -0.019 0.000 0.208 306 L C 2.262 179.130 176.870 -0.004 0.000 1.077 306 L CA 1.972 56.880 54.840 0.113 0.000 0.747 306 L CB -1.501 40.610 42.059 0.087 0.000 0.896 306 L HN 0.291 nan 8.230 nan 0.000 0.432 307 T N -0.223 114.344 114.554 0.022 0.000 2.821 307 T HA -0.200 4.138 4.350 -0.019 0.000 0.267 307 T C 1.613 176.252 174.700 -0.103 0.000 1.046 307 T CA 1.439 63.477 62.100 -0.102 0.000 1.139 307 T CB -0.470 68.370 68.868 -0.047 0.000 0.871 307 T HN 0.358 nan 8.240 nan 0.000 0.454 308 F N 0.820 120.745 119.950 -0.042 0.000 2.095 308 F HA -0.154 4.361 4.527 -0.019 0.000 0.298 308 F C 2.147 177.923 175.800 -0.040 0.000 1.104 308 F CA 1.122 59.105 58.000 -0.029 0.000 1.232 308 F CB -0.471 38.538 39.000 0.015 0.000 0.987 308 F HN 0.153 nan 8.300 nan 0.000 0.475 309 Y N 0.552 120.859 120.300 0.012 0.000 2.224 309 Y HA -0.206 4.332 4.550 -0.020 0.000 0.289 309 Y C 2.230 177.971 175.900 -0.265 0.000 1.146 309 Y CA 1.837 59.898 58.100 -0.064 0.000 1.182 309 Y CB -0.160 38.368 38.460 0.113 0.000 0.983 309 Y HN 0.111 nan 8.280 nan 0.000 0.524 310 Q N -0.936 118.767 119.800 -0.162 0.000 2.384 310 Q HA 0.132 4.460 4.340 -0.019 0.000 0.207 310 Q C 1.640 177.441 176.000 -0.332 0.000 0.904 310 Q CA 0.540 56.170 55.803 -0.288 0.000 0.933 310 Q CB 1.035 29.472 28.738 -0.502 0.000 1.077 310 Q HN 0.525 nan 8.270 nan 0.000 0.522 311 L N -1.480 119.502 121.223 -0.401 0.000 2.666 311 L HA 0.086 4.414 4.340 -0.019 0.000 0.184 311 L C 1.982 178.612 176.870 -0.400 0.000 1.092 311 L CA 0.288 54.871 54.840 -0.429 0.000 0.857 311 L CB 0.017 41.675 42.059 -0.668 0.000 1.281 311 L HN -0.128 nan 8.230 nan 0.000 0.489 312 V N 0.187 119.809 119.914 -0.485 0.000 2.379 312 V HA -0.263 3.845 4.120 -0.019 0.000 0.245 312 V C 2.302 178.037 176.094 -0.600 0.000 1.044 312 V CA 1.817 63.827 62.300 -0.483 0.000 1.036 312 V CB -0.488 30.997 31.823 -0.563 0.000 0.664 312 V HN 0.485 nan 8.190 nan 0.000 0.453 313 Q N 0.370 119.671 119.800 -0.833 0.000 2.045 313 Q HA -0.209 4.119 4.340 -0.019 0.000 0.206 313 Q C -0.094 175.695 176.000 -0.352 0.000 0.991 313 Q CA 2.603 58.047 55.803 -0.598 0.000 0.851 313 Q CB -1.019 27.339 28.738 -0.632 0.000 0.911 313 Q HN 0.499 nan 8.270 nan 0.000 0.418 314 P HA -0.172 nan 4.420 nan 0.000 0.215 314 P C 1.414 178.597 177.300 -0.195 0.000 1.153 314 P CA 0.992 63.958 63.100 -0.222 0.000 0.853 314 P CB -0.192 31.382 31.700 -0.209 0.000 0.788 315 L N -1.022 120.073 121.223 -0.213 0.000 2.042 315 L HA -0.169 4.159 4.340 -0.019 0.000 0.210 315 L C 2.348 179.139 176.870 -0.132 0.000 1.076 315 L CA 1.734 56.471 54.840 -0.173 0.000 0.749 315 L CB -1.007 40.965 42.059 -0.144 0.000 0.893 315 L HN -0.160 nan 8.230 nan 0.000 0.432 316 L N -0.842 120.300 121.223 -0.135 0.000 2.093 316 L HA -0.155 4.173 4.340 -0.019 0.000 0.208 316 L C 2.744 179.567 176.870 -0.077 0.000 1.085 316 L CA 0.991 55.781 54.840 -0.083 0.000 0.755 316 L CB -0.954 41.059 42.059 -0.076 0.000 0.904 316 L HN 0.366 nan 8.230 nan 0.000 0.435 317 A N 0.454 123.211 122.820 -0.105 0.000 1.883 317 A HA -0.287 4.021 4.320 -0.019 0.000 0.217 317 A C 2.405 179.947 177.584 -0.070 0.000 1.186 317 A CA 2.234 54.219 52.037 -0.087 0.000 0.624 317 A CB -0.502 18.437 19.000 -0.102 0.000 0.822 317 A HN 0.350 nan 8.150 nan 0.000 0.444 318 K N -0.406 119.944 120.400 -0.082 0.000 2.057 318 K HA -0.036 4.273 4.320 -0.019 0.000 0.207 318 K C 1.872 178.443 176.600 -0.049 0.000 1.049 318 K CA 1.328 57.573 56.287 -0.070 0.000 0.931 318 K CB -0.334 32.112 32.500 -0.091 0.000 0.714 318 K HN 0.444 nan 8.250 nan 0.000 0.440 319 L N 1.238 122.434 121.223 -0.046 0.000 2.187 319 L HA -0.169 4.160 4.340 -0.019 0.000 0.213 319 L C 2.337 179.208 176.870 0.003 0.000 1.100 319 L CA 1.495 56.330 54.840 -0.008 0.000 0.765 319 L CB -0.396 41.672 42.059 0.015 0.000 0.904 319 L HN 0.382 nan 8.230 nan 0.000 0.437 320 S N -1.259 114.433 115.700 -0.012 0.000 2.522 320 S HA 0.074 4.532 4.470 -0.019 0.000 0.227 320 S C 1.597 176.191 174.600 -0.010 0.000 0.986 320 S CA 0.530 58.725 58.200 -0.009 0.000 0.929 320 S CB 0.390 63.578 63.200 -0.020 0.000 0.769 320 S HN 0.549 nan 8.310 nan 0.000 0.529 321 G N 1.333 110.125 108.800 -0.013 0.000 2.194 321 G HA2 -0.259 3.690 3.960 -0.019 0.000 0.236 321 G HA3 -0.259 3.690 3.960 -0.019 0.000 0.236 321 G C -0.035 174.852 174.900 -0.021 0.000 0.987 321 G CA -0.077 45.016 45.100 -0.012 0.000 0.635 321 G HN 0.615 nan 8.290 nan 0.000 0.520 322 N N 1.504 120.186 118.700 -0.031 0.000 2.411 322 N HA 0.237 4.965 4.740 -0.019 0.000 0.265 322 N C 1.723 177.213 175.510 -0.033 0.000 1.266 322 N CA 1.198 54.226 53.050 -0.037 0.000 0.889 322 N CB 0.967 39.426 38.487 -0.047 0.000 1.069 322 N HN 0.545 nan 8.380 nan 0.000 0.476 323 T N 0.528 115.065 114.554 -0.028 0.000 3.060 323 T HA 0.346 4.684 4.350 -0.019 0.000 0.249 323 T C 1.124 175.811 174.700 -0.023 0.000 1.079 323 T CA 0.136 62.223 62.100 -0.022 0.000 1.013 323 T CB 0.110 68.970 68.868 -0.013 0.000 0.975 323 T HN 0.444 nan 8.240 nan 0.000 0.518 324 A N 2.268 125.072 122.820 -0.027 0.000 2.291 324 A HA 0.614 4.922 4.320 -0.019 0.000 0.268 324 A C 0.553 178.118 177.584 -0.032 0.000 1.579 324 A CA -0.199 51.823 52.037 -0.026 0.000 0.854 324 A CB -0.378 18.604 19.000 -0.029 0.000 1.370 324 A HN 0.587 nan 8.150 nan 0.000 0.576 325 S N -2.318 113.362 115.700 -0.033 0.000 2.595 325 S HA 0.639 5.098 4.470 -0.019 0.000 0.281 325 S C 0.138 174.708 174.600 -0.050 0.000 1.117 325 S CA -0.325 57.849 58.200 -0.043 0.000 0.873 325 S CB 1.388 64.567 63.200 -0.035 0.000 1.108 325 S HN 1.249 nan 8.310 nan 0.000 0.477 326 G N 0.068 108.824 108.800 -0.073 0.000 2.621 326 G HA2 0.591 4.539 3.960 -0.019 0.000 0.271 326 G HA3 0.591 4.539 3.960 -0.019 0.000 0.271 326 G C -0.620 174.237 174.900 -0.071 0.000 1.236 326 G CA -0.626 44.419 45.100 -0.092 0.000 0.958 326 G HN 0.910 nan 8.290 nan 0.000 0.512 327 L N -1.301 119.872 121.223 -0.082 0.000 0.595 327 L HA -0.146 4.183 4.340 -0.019 0.000 0.356 327 L C -2.088 174.820 176.870 0.062 0.000 1.004 327 L CA -0.421 54.411 54.840 -0.013 0.000 1.223 327 L CB -0.833 41.222 42.059 -0.006 0.000 0.049 327 L HN 0.507 nan 8.230 nan 0.000 0.097 328 P HA 0.501 nan 4.420 nan 0.000 0.275 328 P C -0.963 176.414 177.300 0.129 0.000 1.266 328 P CA -0.318 62.865 63.100 0.139 0.000 0.793 328 P CB 0.665 32.483 31.700 0.196 0.000 1.074 329 A N 0.980 123.861 122.820 0.103 0.000 2.304 329 A HA 0.455 4.763 4.320 -0.019 0.000 0.301 329 A C 0.085 177.728 177.584 0.098 0.000 1.132 329 A CA -0.566 51.522 52.037 0.084 0.000 0.819 329 A CB 0.309 19.345 19.000 0.059 0.000 1.094 329 A HN 0.426 nan 8.150 nan 0.000 0.492 330 R N 0.743 121.296 120.500 0.088 0.000 2.457 330 R HA 0.432 4.760 4.340 -0.019 0.000 0.284 330 R C -0.298 176.042 176.300 0.067 0.000 1.024 330 R CA -0.424 55.730 56.100 0.090 0.000 1.025 330 R CB 0.964 31.314 30.300 0.084 0.000 1.063 330 R HN 0.903 nan 8.270 nan 0.000 0.493 331 Q N 1.526 121.368 119.800 0.070 0.000 2.433 331 Q HA 0.420 4.749 4.340 -0.019 0.000 0.279 331 Q C -0.991 175.062 176.000 0.088 0.000 1.105 331 Q CA -1.114 54.729 55.803 0.066 0.000 0.815 331 Q CB 2.332 31.108 28.738 0.064 0.000 1.403 331 Q HN 0.444 nan 8.270 nan 0.000 0.435 332 R N 1.433 121.996 120.500 0.105 0.000 2.221 332 R HA 0.565 4.894 4.340 -0.019 0.000 0.327 332 R C -1.383 175.121 176.300 0.341 0.000 1.033 332 R CA -0.222 55.992 56.100 0.190 0.000 0.887 332 R CB 1.019 31.379 30.300 0.100 0.000 1.057 332 R HN 0.556 nan 8.270 nan 0.000 0.455 333 V N 4.208 124.321 119.914 0.333 0.000 3.078 333 V HA 0.435 4.544 4.120 -0.019 0.000 0.311 333 V C -0.341 175.710 176.094 -0.073 0.000 1.138 333 V CA -1.072 61.333 62.300 0.176 0.000 1.007 333 V CB 2.360 34.214 31.823 0.051 0.000 1.045 333 V HN 0.793 nan 8.190 nan 0.000 0.432 334 R N 1.045 121.286 120.500 -0.432 0.000 2.340 334 R HA 0.438 4.766 4.340 -0.019 0.000 0.300 334 R C -0.300 175.829 176.300 -0.285 0.000 1.069 334 R CA -0.255 55.502 56.100 -0.572 0.000 0.984 334 R CB 0.836 30.721 30.300 -0.692 0.000 1.003 334 R HN 0.745 nan 8.270 nan 0.000 0.459 335 T N 1.826 116.242 114.554 -0.230 0.000 2.901 335 T HA 0.124 4.463 4.350 -0.019 0.000 0.301 335 T C 0.976 175.583 174.700 -0.155 0.000 1.012 335 T CA -0.260 61.747 62.100 -0.155 0.000 1.135 335 T CB 1.435 70.233 68.868 -0.116 0.000 0.936 335 T HN 0.707 nan 8.240 nan 0.000 0.539 336 A N 2.580 125.326 122.820 -0.123 0.000 2.379 336 A HA 0.494 4.802 4.320 -0.019 0.000 0.236 336 A C 0.729 178.262 177.584 -0.085 0.000 1.272 336 A CA -0.343 51.631 52.037 -0.104 0.000 0.886 336 A CB 0.207 19.151 19.000 -0.093 0.000 0.962 336 A HN 0.596 nan 8.150 nan 0.000 0.504 337 S N -0.535 115.115 115.700 -0.084 0.000 2.541 337 S HA 0.467 4.926 4.470 -0.019 0.000 0.280 337 S C -0.250 174.309 174.600 -0.067 0.000 1.112 337 S CA -0.739 57.419 58.200 -0.070 0.000 0.925 337 S CB 1.697 64.856 63.200 -0.069 0.000 1.067 337 S HN 0.559 nan 8.310 nan 0.000 0.479 338 R N 2.330 122.795 120.500 -0.057 0.000 2.449 338 R HA 0.327 4.655 4.340 -0.019 0.000 0.296 338 R C -1.166 175.102 176.300 -0.054 0.000 1.047 338 R CA 0.133 56.202 56.100 -0.052 0.000 1.018 338 R CB -0.025 30.248 30.300 -0.044 0.000 0.962 338 R HN 0.557 nan 8.270 nan 0.000 0.428 339 L N 4.933 126.124 121.223 -0.054 0.000 2.329 339 L HA 0.450 4.779 4.340 -0.019 0.000 0.279 339 L C -0.176 176.663 176.870 -0.051 0.000 1.014 339 L CA -0.945 53.861 54.840 -0.056 0.000 0.814 339 L CB 1.977 44.003 42.059 -0.055 0.000 1.257 339 L HN 0.512 nan 8.230 nan 0.000 0.424 340 K N 3.094 123.459 120.400 -0.057 0.000 2.262 340 K HA 0.435 4.744 4.320 -0.019 0.000 0.282 340 K C -0.643 175.929 176.600 -0.047 0.000 1.066 340 K CA -0.661 55.595 56.287 -0.052 0.000 0.901 340 K CB 1.448 33.911 32.500 -0.063 0.000 1.089 340 K HN 0.264 nan 8.250 nan 0.000 0.476 341 K N 1.560 121.938 120.400 -0.037 0.000 2.468 341 K HA 0.297 4.605 4.320 -0.019 0.000 0.252 341 K C -1.315 175.270 176.600 -0.024 0.000 0.932 341 K CA -0.348 55.919 56.287 -0.032 0.000 0.794 341 K CB 2.046 34.524 32.500 -0.036 0.000 1.241 341 K HN 0.321 nan 8.250 nan 0.000 0.428 342 T N 5.946 120.489 114.554 -0.018 0.000 2.779 342 T HA 0.484 4.822 4.350 -0.019 0.000 0.280 342 T C -2.608 172.086 174.700 -0.010 0.000 0.987 342 T CA -1.509 60.585 62.100 -0.011 0.000 0.966 342 T CB 1.465 70.330 68.868 -0.004 0.000 0.933 342 T HN 0.448 nan 8.240 nan 0.000 0.442 343 P HA 0.325 nan 4.420 nan 0.000 0.266 343 P C 0.949 178.246 177.300 -0.004 0.000 1.195 343 P CA 0.669 63.763 63.100 -0.010 0.000 0.768 343 P CB 0.538 32.233 31.700 -0.008 0.000 0.838 344 G N 1.675 110.471 108.800 -0.006 0.000 2.284 344 G HA2 -0.141 3.807 3.960 -0.019 0.000 0.201 344 G HA3 -0.141 3.807 3.960 -0.019 0.000 0.201 344 G C 0.003 174.906 174.900 0.004 0.000 0.998 344 G CA -0.515 44.586 45.100 0.001 0.000 0.651 344 G HN 0.556 nan 8.290 nan 0.000 0.489 345 R N -0.365 120.136 120.500 0.000 0.000 2.604 345 R HA 0.526 4.855 4.340 -0.019 0.000 0.281 345 R C -1.165 175.126 176.300 -0.015 0.000 1.020 345 R CA -0.974 55.132 56.100 0.008 0.000 0.899 345 R CB 2.260 32.578 30.300 0.029 0.000 1.205 345 R HN 0.194 nan 8.270 nan 0.000 0.450 346 L N 2.853 124.064 121.223 -0.019 0.000 2.433 346 L HA 0.129 4.458 4.340 -0.019 0.000 0.275 346 L C -0.482 176.326 176.870 -0.103 0.000 1.128 346 L CA 0.526 55.310 54.840 -0.093 0.000 0.875 346 L CB 0.169 42.181 42.059 -0.078 0.000 1.171 346 L HN 0.444 nan 8.230 nan 0.000 0.463 347 D N 4.857 125.150 120.400 -0.179 0.000 2.414 347 D HA 0.190 4.818 4.640 -0.019 0.000 0.232 347 D C -0.987 175.205 176.300 -0.180 0.000 1.070 347 D CA -0.237 53.714 54.000 -0.081 0.000 0.839 347 D CB 0.382 41.157 40.800 -0.042 0.000 1.079 347 D HN 0.296 nan 8.370 nan 0.000 0.521 348 F N 3.250 123.200 119.950 0.001 0.000 2.567 348 F HA 0.210 4.726 4.527 -0.018 0.000 0.352 348 F C 1.334 177.226 175.800 0.153 0.000 1.229 348 F CA -0.445 57.575 58.000 0.034 0.000 1.228 348 F CB 0.197 39.093 39.000 -0.173 0.000 1.568 348 F HN 0.112 nan 8.300 nan 0.000 0.634 349 Q N 1.595 121.510 119.800 0.192 0.000 2.443 349 Q HA 0.407 4.735 4.340 -0.019 0.000 0.232 349 Q C -0.018 176.064 176.000 0.136 0.000 1.026 349 Q CA -0.595 55.277 55.803 0.115 0.000 0.924 349 Q CB 0.948 29.694 28.738 0.013 0.000 1.256 349 Q HN 0.383 nan 8.270 nan 0.000 0.519 350 R N -0.277 120.198 120.500 -0.042 0.000 2.532 350 R HA 0.689 5.017 4.340 -0.019 0.000 0.295 350 R C -0.298 175.891 176.300 -0.186 0.000 0.968 350 R CA -0.146 55.848 56.100 -0.177 0.000 0.916 350 R CB 1.776 31.882 30.300 -0.324 0.000 1.124 350 R HN 0.758 nan 8.270 nan 0.000 0.463 351 G N -0.232 108.415 108.800 -0.255 0.000 2.708 351 G HA2 0.554 4.502 3.960 -0.019 0.000 0.289 351 G HA3 0.554 4.502 3.960 -0.019 0.000 0.289 351 G C -1.636 173.103 174.900 -0.269 0.000 1.416 351 G CA -0.558 44.415 45.100 -0.211 0.000 0.829 351 G HN 0.335 nan 8.290 nan 0.000 0.480 352 V N 0.728 120.525 119.914 -0.196 0.000 2.407 352 V HA 0.441 4.550 4.120 -0.019 0.000 0.291 352 V C -0.737 175.270 176.094 -0.145 0.000 1.018 352 V CA -0.651 61.541 62.300 -0.179 0.000 0.842 352 V CB 1.263 33.009 31.823 -0.128 0.000 0.996 352 V HN 0.617 nan 8.190 nan 0.000 0.426 353 L N 6.750 127.882 121.223 -0.151 0.000 2.257 353 L HA 0.588 4.916 4.340 -0.019 0.000 0.290 353 L C -0.001 176.819 176.870 -0.083 0.000 1.044 353 L CA 0.455 55.229 54.840 -0.110 0.000 0.810 353 L CB 0.955 42.946 42.059 -0.112 0.000 1.193 353 L HN 0.856 nan 8.230 nan 0.000 0.425 354 Q N 4.506 124.266 119.800 -0.068 0.000 2.456 354 Q HA 0.502 4.830 4.340 -0.019 0.000 0.283 354 Q C -1.018 174.956 176.000 -0.042 0.000 1.084 354 Q CA -1.066 54.706 55.803 -0.052 0.000 0.801 354 Q CB 1.797 30.503 28.738 -0.052 0.000 1.434 354 Q HN 0.535 nan 8.270 nan 0.000 0.419 355 R N 1.923 122.404 120.500 -0.031 0.000 2.298 355 R HA 0.130 4.458 4.340 -0.019 0.000 0.310 355 R C 0.009 176.292 176.300 -0.028 0.000 1.068 355 R CA -0.157 55.928 56.100 -0.025 0.000 0.957 355 R CB 0.504 30.795 30.300 -0.016 0.000 1.003 355 R HN 0.748 nan 8.270 nan 0.000 0.454 356 N N 2.821 121.502 118.700 -0.032 0.000 2.322 356 N HA 0.018 4.746 4.740 -0.019 0.000 0.270 356 N C 0.562 176.058 175.510 -0.023 0.000 1.286 356 N CA 0.087 53.118 53.050 -0.032 0.000 0.948 356 N CB 0.305 38.768 38.487 -0.040 0.000 1.164 356 N HN 0.447 nan 8.380 nan 0.000 0.551 357 A N -0.815 121.992 122.820 -0.022 0.000 2.014 357 A HA -0.093 4.215 4.320 -0.019 0.000 0.218 357 A C 1.360 178.936 177.584 -0.013 0.000 1.163 357 A CA 1.101 53.128 52.037 -0.016 0.000 0.652 357 A CB -0.639 18.351 19.000 -0.016 0.000 0.808 357 A HN 0.694 nan 8.150 nan 0.000 0.449 358 D N -0.757 119.633 120.400 -0.016 0.000 2.265 358 D HA 0.018 4.646 4.640 -0.019 0.000 0.208 358 D C 1.581 177.878 176.300 -0.006 0.000 0.977 358 D CA 1.594 55.587 54.000 -0.011 0.000 0.871 358 D CB -0.199 40.592 40.800 -0.015 0.000 0.925 358 D HN 0.657 nan 8.370 nan 0.000 0.485 359 G N 0.610 109.405 108.800 -0.008 0.000 2.176 359 G HA2 -0.248 3.700 3.960 -0.019 0.000 0.232 359 G HA3 -0.248 3.700 3.960 -0.019 0.000 0.232 359 G C 0.049 174.949 174.900 -0.001 0.000 0.986 359 G CA 0.265 45.363 45.100 -0.003 0.000 0.643 359 G HN 0.483 nan 8.290 nan 0.000 0.522 360 E N 0.717 120.914 120.200 -0.005 0.000 2.242 360 E HA 0.676 5.015 4.350 -0.019 0.000 0.275 360 E C -0.305 176.286 176.600 -0.015 0.000 1.002 360 E CA -1.206 55.194 56.400 -0.001 0.000 0.841 360 E CB 1.888 31.591 29.700 0.006 0.000 1.109 360 E HN 0.042 nan 8.360 nan 0.000 0.394 361 L N 2.743 123.963 121.223 -0.006 0.000 2.455 361 L HA 0.038 4.367 4.340 -0.019 0.000 0.272 361 L C 0.419 177.262 176.870 -0.045 0.000 1.174 361 L CA 0.874 55.703 54.840 -0.019 0.000 0.869 361 L CB -0.032 42.027 42.059 0.001 0.000 1.130 361 L HN 0.696 nan 8.230 nan 0.000 0.474 362 E N 2.797 122.959 120.200 -0.064 0.000 2.393 362 E HA 0.718 5.056 4.350 -0.019 0.000 0.273 362 E C -1.489 175.059 176.600 -0.087 0.000 0.918 362 E CA -1.032 55.312 56.400 -0.094 0.000 0.773 362 E CB 1.764 31.399 29.700 -0.109 0.000 1.275 362 E HN 0.182 nan 8.360 nan 0.000 0.451 363 V N -0.212 119.644 119.914 -0.096 0.000 2.834 363 V HA 0.720 4.828 4.120 -0.019 0.000 0.313 363 V C -0.063 175.973 176.094 -0.098 0.000 1.060 363 V CA -0.654 61.588 62.300 -0.097 0.000 0.989 363 V CB 1.521 33.288 31.823 -0.092 0.000 1.041 363 V HN 0.816 nan 8.190 nan 0.000 0.459 364 T N 0.697 115.191 114.554 -0.099 0.000 2.933 364 T HA 0.423 4.762 4.350 -0.019 0.000 0.305 364 T C -0.308 174.334 174.700 -0.096 0.000 1.092 364 T CA -0.207 61.838 62.100 -0.090 0.000 1.008 364 T CB 1.849 70.668 68.868 -0.082 0.000 1.102 364 T HN 1.106 nan 8.240 nan 0.000 0.469 365 T N 0.930 115.433 114.554 -0.086 0.000 2.856 365 T HA 0.201 4.540 4.350 -0.019 0.000 0.306 365 T C 1.712 176.358 174.700 -0.089 0.000 1.062 365 T CA 0.537 62.584 62.100 -0.088 0.000 1.083 365 T CB 0.422 69.245 68.868 -0.075 0.000 0.984 365 T HN 0.789 nan 8.240 nan 0.000 0.542 366 T N 0.680 115.173 114.554 -0.102 0.000 3.067 366 T HA 0.483 4.821 4.350 -0.019 0.000 0.261 366 T C 1.208 175.870 174.700 -0.063 0.000 1.110 366 T CA 0.429 62.470 62.100 -0.098 0.000 1.113 366 T CB -0.285 68.502 68.868 -0.135 0.000 0.917 366 T HN 1.230 nan 8.240 nan 0.000 0.499 367 G N 0.503 109.275 108.800 -0.048 0.000 2.250 367 G HA2 0.030 3.978 3.960 -0.019 0.000 0.252 367 G HA3 0.030 3.978 3.960 -0.019 0.000 0.252 367 G C -0.936 173.977 174.900 0.022 0.000 1.325 367 G CA -0.641 44.456 45.100 -0.004 0.000 1.091 367 G HN 0.665 nan 8.290 nan 0.000 0.476 368 H N 1.163 120.224 119.070 -0.016 0.000 3.034 368 H HA 0.350 4.895 4.556 -0.019 0.000 0.324 368 H C 1.314 176.639 175.328 -0.004 0.000 1.015 368 H CA 0.833 56.893 56.048 0.019 0.000 1.429 368 H CB 0.838 30.649 29.762 0.082 0.000 1.429 368 H HN 0.341 nan 8.280 nan 0.000 0.585 369 Q N 3.672 123.434 119.800 -0.063 0.000 2.280 369 Q HA 0.153 4.481 4.340 -0.019 0.000 0.201 369 Q C 0.757 176.841 176.000 0.140 0.000 0.890 369 Q CA 0.345 56.150 55.803 0.004 0.000 0.947 369 Q CB 0.704 29.404 28.738 -0.063 0.000 1.081 369 Q HN 0.794 nan 8.270 nan 0.000 0.502 370 G N 1.042 110.131 108.800 0.482 0.000 2.544 370 G HA2 0.163 4.112 3.960 -0.019 0.000 0.242 370 G HA3 0.163 4.112 3.960 -0.019 0.000 0.242 370 G C 0.651 175.775 174.900 0.374 0.000 1.247 370 G CA -0.032 45.400 45.100 0.553 0.000 0.840 370 G HN 0.246 nan 8.290 nan 0.000 0.578 371 S N -0.295 115.617 115.700 0.353 0.000 2.597 371 S HA 0.003 4.462 4.470 -0.019 0.000 0.224 371 S C 1.450 176.193 174.600 0.238 0.000 0.955 371 S CA 0.302 58.641 58.200 0.232 0.000 0.933 371 S CB -0.257 63.068 63.200 0.207 0.000 0.788 371 S HN 0.827 nan 8.310 nan 0.000 0.488 372 H N 1.944 121.076 119.070 0.103 0.000 2.555 372 H HA 0.340 4.885 4.556 -0.020 0.000 0.269 372 H C 0.673 176.054 175.328 0.087 0.000 0.988 372 H CA 0.062 56.157 56.048 0.078 0.000 1.178 372 H CB -0.637 29.139 29.762 0.023 0.000 1.373 372 H HN 0.706 nan 8.280 nan 0.000 0.588 373 I N -5.068 115.292 120.570 -0.350 0.000 2.934 373 I HA 0.345 4.504 4.170 -0.019 0.000 0.306 373 I C -0.374 175.769 176.117 0.044 0.000 1.110 373 I CA -1.289 59.901 61.300 -0.183 0.000 1.019 373 I CB 1.756 39.539 38.000 -0.361 0.000 1.227 373 I HN -0.207 nan 8.210 nan 0.000 0.434 374 F N 1.556 121.492 119.950 -0.022 0.000 2.678 374 F HA 0.150 4.665 4.527 -0.019 0.000 0.305 374 F C 2.138 177.990 175.800 0.086 0.000 1.090 374 F CA 0.559 58.618 58.000 0.098 0.000 1.272 374 F CB 0.489 39.560 39.000 0.118 0.000 1.060 374 F HN 0.639 nan 8.300 nan 0.000 0.576 375 S N -1.236 114.486 115.700 0.037 0.000 2.489 375 S HA -0.136 4.322 4.470 -0.019 0.000 0.228 375 S C 2.238 176.770 174.600 -0.113 0.000 0.995 375 S CA 0.819 59.021 58.200 0.004 0.000 0.934 375 S CB -0.898 62.302 63.200 -0.000 0.000 0.771 375 S HN 0.387 nan 8.310 nan 0.000 0.522 376 S N 1.549 117.095 115.700 -0.257 0.000 2.419 376 S HA -0.076 4.383 4.470 -0.019 0.000 0.235 376 S C 1.452 175.782 174.600 -0.451 0.000 1.019 376 S CA 0.765 58.747 58.200 -0.364 0.000 0.982 376 S CB -1.070 61.850 63.200 -0.466 0.000 0.789 376 S HN 0.539 nan 8.310 nan 0.000 0.490 377 F N 2.644 122.350 119.950 -0.406 0.000 2.259 377 F HA 0.030 4.545 4.527 -0.020 0.000 0.298 377 F C 3.008 178.661 175.800 -0.245 0.000 1.088 377 F CA 0.958 58.624 58.000 -0.558 0.000 1.358 377 F CB -0.287 38.105 39.000 -1.012 0.000 1.040 377 F HN 0.438 nan 8.300 nan 0.000 0.505 378 S N -0.275 115.446 115.700 0.035 0.000 2.470 378 S HA 0.022 4.481 4.470 -0.019 0.000 0.222 378 S C 1.768 176.396 174.600 0.048 0.000 1.024 378 S CA 0.240 58.490 58.200 0.084 0.000 0.931 378 S CB -0.697 62.561 63.200 0.096 0.000 0.791 378 S HN 0.355 nan 8.310 nan 0.000 0.513 379 L N 1.600 122.818 121.223 -0.008 0.000 2.109 379 L HA 0.213 4.541 4.340 -0.019 0.000 0.207 379 L C 1.861 178.690 176.870 -0.068 0.000 1.086 379 L CA 0.716 55.533 54.840 -0.037 0.000 0.760 379 L CB -1.051 40.970 42.059 -0.063 0.000 0.910 379 L HN 0.457 nan 8.230 nan 0.000 0.437 380 G N -0.039 108.705 108.800 -0.094 0.000 2.562 380 G HA2 0.200 4.149 3.960 -0.019 0.000 0.275 380 G HA3 0.200 4.149 3.960 -0.019 0.000 0.275 380 G C 0.187 174.894 174.900 -0.321 0.000 1.196 380 G CA -0.168 44.796 45.100 -0.226 0.000 0.908 380 G HN 0.393 nan 8.290 nan 0.000 0.524 381 N N -2.264 116.038 118.700 -0.664 0.000 2.160 381 N HA 0.135 4.863 4.740 -0.019 0.000 0.226 381 N C 0.054 174.757 175.510 -1.344 0.000 1.256 381 N CA 0.105 52.703 53.050 -0.754 0.000 0.890 381 N CB -0.341 37.981 38.487 -0.275 0.000 1.116 381 N HN 0.752 nan 8.380 nan 0.000 0.517 382 C N -2.536 115.696 119.300 -1.780 0.000 3.306 382 C HA 0.743 5.191 4.460 -0.019 0.000 0.335 382 C C -1.319 173.167 174.990 -0.839 0.000 1.382 382 C CA -1.689 56.626 59.018 -1.172 0.000 1.254 382 C CB 0.038 27.520 27.740 -0.430 0.000 1.555 382 C HN 0.045 nan 8.230 nan 0.000 0.463 383 F N 1.157 121.084 119.950 -0.040 0.000 2.421 383 F HA 0.676 5.191 4.527 -0.020 0.000 0.337 383 F C 0.511 176.324 175.800 0.021 0.000 1.105 383 F CA -0.657 57.413 58.000 0.116 0.000 1.049 383 F CB 1.234 40.435 39.000 0.335 0.000 1.139 383 F HN 0.398 nan 8.300 nan 0.000 0.479 384 I N 4.134 124.804 120.570 0.166 0.000 2.291 384 I HA 0.183 4.341 4.170 -0.019 0.000 0.290 384 I C -0.712 175.408 176.117 0.005 0.000 1.050 384 I CA -0.586 60.746 61.300 0.054 0.000 1.245 384 I CB 0.791 38.787 38.000 -0.007 0.000 1.405 384 I HN 0.214 nan 8.210 nan 0.000 0.478 385 V N 8.105 127.988 119.914 -0.052 0.000 2.322 385 V HA 0.234 4.343 4.120 -0.019 0.000 0.258 385 V C 0.245 176.202 176.094 -0.229 0.000 1.074 385 V CA -0.284 61.847 62.300 -0.281 0.000 0.909 385 V CB -0.034 31.621 31.823 -0.280 0.000 1.090 385 V HN 0.482 nan 8.190 nan 0.000 0.486 386 L N 3.927 125.010 121.223 -0.232 0.000 2.275 386 L HA 0.484 4.813 4.340 -0.019 0.000 0.288 386 L C 0.490 177.267 176.870 -0.156 0.000 1.046 386 L CA -0.687 54.066 54.840 -0.144 0.000 0.805 386 L CB 1.155 43.155 42.059 -0.098 0.000 1.193 386 L HN 0.468 nan 8.230 nan 0.000 0.426 387 E N 1.520 121.656 120.200 -0.107 0.000 2.437 387 E HA -0.048 4.290 4.350 -0.019 0.000 0.263 387 E C 0.936 177.490 176.600 -0.076 0.000 1.030 387 E CA 0.159 56.504 56.400 -0.091 0.000 0.934 387 E CB 0.566 30.232 29.700 -0.057 0.000 0.943 387 E HN 0.377 nan 8.360 nan 0.000 0.444 388 R N 1.729 122.189 120.500 -0.067 0.000 2.097 388 R HA -0.207 4.121 4.340 -0.019 0.000 0.236 388 R C 0.459 176.739 176.300 -0.033 0.000 1.135 388 R CA 2.004 58.076 56.100 -0.047 0.000 0.934 388 R CB 0.034 30.312 30.300 -0.037 0.000 0.846 388 R HN 0.521 nan 8.270 nan 0.000 0.431 389 D N -0.136 120.246 120.400 -0.029 0.000 2.340 389 D HA -0.012 4.616 4.640 -0.019 0.000 0.220 389 D C 0.253 176.541 176.300 -0.021 0.000 1.039 389 D CA 0.169 54.157 54.000 -0.021 0.000 0.866 389 D CB -0.059 40.730 40.800 -0.018 0.000 0.913 389 D HN 0.175 nan 8.370 nan 0.000 0.523 390 R N 0.155 120.638 120.500 -0.027 0.000 2.641 390 R HA 0.412 4.740 4.340 -0.019 0.000 0.269 390 R C 0.693 176.980 176.300 -0.022 0.000 1.074 390 R CA -0.083 56.002 56.100 -0.024 0.000 1.133 390 R CB 0.688 30.970 30.300 -0.029 0.000 1.029 390 R HN 0.041 nan 8.270 nan 0.000 0.488 391 G N 1.294 110.083 108.800 -0.018 0.000 2.971 391 G HA2 0.161 4.109 3.960 -0.019 0.000 0.235 391 G HA3 0.161 4.109 3.960 -0.019 0.000 0.235 391 G C -0.854 174.033 174.900 -0.021 0.000 1.351 391 G CA -0.836 44.254 45.100 -0.018 0.000 1.039 391 G HN 0.626 nan 8.290 nan 0.000 0.563 392 N N -1.048 117.639 118.700 -0.021 0.000 2.329 392 N HA 0.202 4.930 4.740 -0.019 0.000 0.237 392 N C -0.436 175.060 175.510 -0.025 0.000 1.258 392 N CA 0.147 53.182 53.050 -0.025 0.000 0.866 392 N CB 1.124 39.597 38.487 -0.024 0.000 1.102 392 N HN 0.140 nan 8.380 nan 0.000 0.440 393 V N 1.709 121.604 119.914 -0.031 0.000 2.443 393 V HA 0.216 4.324 4.120 -0.019 0.000 0.293 393 V C -0.012 176.058 176.094 -0.040 0.000 1.021 393 V CA -0.803 61.478 62.300 -0.032 0.000 0.848 393 V CB 1.644 33.445 31.823 -0.037 0.000 0.998 393 V HN 0.498 nan 8.190 nan 0.000 0.424 394 E N 2.384 122.560 120.200 -0.039 0.000 2.280 394 E HA 0.435 4.774 4.350 -0.019 0.000 0.264 394 E C -0.256 176.306 176.600 -0.064 0.000 1.064 394 E CA -0.659 55.714 56.400 -0.045 0.000 0.900 394 E CB 2.027 31.706 29.700 -0.035 0.000 1.123 394 E HN 0.365 nan 8.360 nan 0.000 0.418 395 V N 1.205 121.078 119.914 -0.068 0.000 2.720 395 V HA 0.154 4.262 4.120 -0.019 0.000 0.307 395 V C 1.562 177.589 176.094 -0.111 0.000 1.071 395 V CA 1.866 64.114 62.300 -0.088 0.000 1.199 395 V CB 0.092 31.870 31.823 -0.075 0.000 0.900 395 V HN 1.021 nan 8.190 nan 0.000 0.494 396 G N 3.129 111.831 108.800 -0.163 0.000 2.241 396 G HA2 -0.219 3.729 3.960 -0.019 0.000 0.244 396 G HA3 -0.219 3.729 3.960 -0.019 0.000 0.244 396 G C 0.170 174.891 174.900 -0.298 0.000 0.998 396 G CA 0.249 45.214 45.100 -0.224 0.000 0.621 396 G HN 0.679 nan 8.290 nan 0.000 0.519 397 E N -0.602 119.480 120.200 -0.197 0.000 2.422 397 E HA 0.304 4.642 4.350 -0.019 0.000 0.260 397 E C -0.114 176.325 176.600 -0.269 0.000 1.108 397 E CA -0.368 55.941 56.400 -0.151 0.000 0.943 397 E CB 0.383 30.059 29.700 -0.039 0.000 0.961 397 E HN 0.394 nan 8.360 nan 0.000 0.443 398 W N 1.019 122.304 121.300 -0.025 0.000 2.316 398 W HA 0.414 5.071 4.660 -0.005 0.000 0.321 398 W C -0.362 176.139 176.519 -0.029 0.000 1.203 398 W CA -0.184 57.146 57.345 -0.025 0.000 1.214 398 W CB 0.891 30.338 29.460 -0.022 0.000 1.169 398 W HN 0.103 nan 8.180 nan 0.000 0.561 399 V N 3.078 123.129 119.914 0.228 0.000 2.932 399 V HA 0.220 4.328 4.120 -0.019 0.000 0.307 399 V C -0.600 175.559 176.094 0.110 0.000 1.147 399 V CA -1.124 61.240 62.300 0.108 0.000 0.951 399 V CB 2.150 33.987 31.823 0.023 0.000 1.031 399 V HN 0.354 nan 8.190 nan 0.000 0.426 400 E N 2.675 122.912 120.200 0.061 0.000 2.338 400 E HA 0.459 4.797 4.350 -0.019 0.000 0.272 400 E C -0.985 175.642 176.600 0.045 0.000 1.029 400 E CA -0.003 56.426 56.400 0.050 0.000 0.872 400 E CB 1.890 31.601 29.700 0.018 0.000 1.015 400 E HN 0.350 nan 8.360 nan 0.000 0.417 401 V N 2.767 122.720 119.914 0.065 0.000 2.638 401 V HA 0.178 4.287 4.120 -0.019 0.000 0.306 401 V C -0.283 175.878 176.094 0.111 0.000 1.052 401 V CA -0.652 61.690 62.300 0.069 0.000 0.885 401 V CB 2.092 33.934 31.823 0.032 0.000 0.999 401 V HN 0.599 nan 8.190 nan 0.000 0.424 402 E N 6.313 126.622 120.200 0.182 0.000 2.183 402 E HA 0.416 4.754 4.350 -0.019 0.000 0.250 402 E C -2.668 174.083 176.600 0.250 0.000 0.901 402 E CA -2.120 54.441 56.400 0.269 0.000 0.741 402 E CB 1.889 31.845 29.700 0.427 0.000 1.182 402 E HN 0.400 nan 8.360 nan 0.000 0.425 403 P HA -0.061 nan 4.420 nan 0.000 0.264 403 P C -0.590 176.890 177.300 0.301 0.000 1.183 403 P CA 0.139 63.294 63.100 0.093 0.000 0.763 403 P CB 0.150 31.904 31.700 0.089 0.000 0.807 404 F N 2.499 122.526 119.950 0.129 0.000 2.572 404 F HA 0.032 4.548 4.527 -0.019 0.000 0.370 404 F C 1.641 177.608 175.800 0.278 0.000 1.103 404 F CA -0.358 57.785 58.000 0.237 0.000 1.286 404 F CB -0.600 38.516 39.000 0.193 0.000 1.105 404 F HN 0.369 nan 8.300 nan 0.000 0.583 405 N N 1.701 120.741 118.700 0.566 0.000 2.381 405 N HA 0.296 5.025 4.740 -0.019 0.000 0.289 405 N C 0.825 176.484 175.510 0.248 0.000 1.288 405 N CA 0.092 53.340 53.050 0.330 0.000 0.960 405 N CB -0.283 38.346 38.487 0.237 0.000 1.116 405 N HN 0.460 nan 8.380 nan 0.000 0.557 406 A N -0.600 122.303 122.820 0.138 0.000 2.019 406 A HA -0.034 4.274 4.320 -0.019 0.000 0.219 406 A C 2.231 179.831 177.584 0.027 0.000 1.164 406 A CA 0.961 53.051 52.037 0.088 0.000 0.644 406 A CB -1.115 17.921 19.000 0.060 0.000 0.805 406 A HN 0.618 nan 8.150 nan 0.000 0.449 407 L N -2.245 118.937 121.223 -0.068 0.000 2.137 407 L HA -0.209 4.119 4.340 -0.019 0.000 0.213 407 L C 1.517 178.159 176.870 -0.379 0.000 1.085 407 L CA 1.456 56.122 54.840 -0.291 0.000 0.760 407 L CB -0.538 41.219 42.059 -0.503 0.000 0.893 407 L HN 0.511 nan 8.230 nan 0.000 0.434 408 F N -0.868 119.113 119.950 0.051 0.000 2.698 408 F HA 0.443 4.958 4.527 -0.020 0.000 0.304 408 F C 1.153 177.015 175.800 0.103 0.000 1.108 408 F CA 0.014 58.011 58.000 -0.004 0.000 1.263 408 F CB 0.770 39.613 39.000 -0.262 0.000 1.013 408 F HN 0.115 nan 8.300 nan 0.000 0.532 409 G N 0.000 108.940 108.800 0.233 0.000 5.446 409 G HA2 0.000 3.948 3.960 -0.019 0.000 0.244 409 G HA3 0.000 3.948 3.960 -0.019 0.000 0.244 409 G CA 0.000 45.212 45.100 0.187 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925